| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 74.1 | Confident | 84.3 | Confident | 102 Ų | 102 | 23.4 Ų | 23.4 | 50% | 0.502 | 12% | 0.117 | S | C | . | . | 0 | 121.8 | 0 | -65.9 | -171.2 | 177.4 | 0 | 0 | 109.5 | T51 R52 E53 D1149 | M1-T51 WeakPolarHBondContact CA-O 3.44Å; M1-R52 VanDerWaalsContact CA-O 3.3Å; M1-R52 WeakPolarHBondContact CA-O 3.47Å; M1-R52 WeakPolarHBondContact CG-O 3.24Å; M1-R52 PolarHBondContact N-O 2.95Å; M1-E53 CarbonylContact C-O 3.34Å; M1-E53 WeakPolarHBondContact CA-O 3.15Å; M1-E53 PolarHBondContact N-O 2.82Å; M1-D1149 HydrophobicContact CB-CB 3.72Å | |||
| 2 | S | 82.9 | Confident | 82 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 115.9 | -162 | -77.6 | 0 | 0 | 0 | 0 | 112.6 | I4 T51 E53 S54 I55 Q1104 V1147 | S2-I4 PolarHBondContact O-N 2.68Å; S2-T51 PolarHBondContact N-O 2.65Å; S2-E53 PolarHBondContact N-O 3.42Å; S2-S54 WeakPolarHBondContact OG-CA 3.48Å; S2-I55 PolarHBondContact OG-N 3.31Å; S2-Q1104 PolarHBondContact OG-NE2 3.28Å; S2-Q1104 PolarHBondContact OG-OE1 3.23Å; S2-V1147 CarbonylContact C-O 3.58Å |
| 3 | S | 85.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 92.5 | -176.8 | -83 | 0 | 0 | 0 | 0 | 115.3 | F5 V1146 V1147 D1149 | S3-F5 VanDerWaalsContact O-CD2 3.32Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-V1146 CarbonylContact O-C 3.55Å; S3-V1146 WeakPolarHBondContact O-CA 3.4Å; S3-V1147 WeakPolarHBondContact CA-O 3.29Å; S3-V1147 WeakPolarHBondContact CB-O 3.31Å; S3-V1147 PolarHBondContact N-O 3.39Å; S3-V1147 PolarHBondContact O-N 3.36Å; S3-D1149 WeakPolarHBondContact CB-OD1 3.38Å; S3-D1149 PolarHBondContact N-OD1 3.47Å; S3-D1149 PolarHBondContact OG-OD1 3.48Å |
| 4 | I | 90.2 | Very high | 77.6 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 121.6 | 177.3 | -49.3 | 168.5 | 0 | 0 | 0 | 111.5 | S2 I43 L47 L50 I55 F67 L1144 V1146 | S2-I4 PolarHBondContact O-N 2.68Å; I4-I43 HydrophobicContact CB-CD1 3.69Å; I4-I43 HydrophobicContact CB-CG1 4.42Å; I4-I43 HydrophobicContact CD1-CD1 4.16Å; I4-I43 HydrophobicContact CG1-CD1 4.07Å; I4-L47 HydrophobicContact CD1-CB 4.21Å; I4-L47 HydrophobicContact CD1-CD1 4.16Å; I4-L47 HydrophobicContact CD1-CD2 4.36Å; I4-L47 HydrophobicContact CD1-CG 4.49Å; I4-L47 HydrophobicContact CG2-CD1 4.07Å; I4-L50 HydrophobicContact CD1-CB 4.04Å; I4-L50 HydrophobicContact CD1-CD1 4.07Å; I4-I55 HydrophobicContact CD1-CD1 3.72Å; I4-I55 HydrophobicContact CG1-CD1 3.67Å; I4-F67 HydrophobicContact CD1-CE1 4.1Å; I4-F67 HydrophobicContact CD1-CZ 4.07Å; I4-F67 HydrophobicContact CG1-CE1 4.44Å; I4-F67 HydrophobicContact CG2-CE1 4.43Å; I4-F67 HydrophobicContact CG2-CZ 4.37Å; I4-L1144 HydrophobicContact CG2-CD1 3.48Å; I4-L1144 VanDerWaalsContact CG2-CD1 3.48Å; I4-V1146 HydrophobicContact CG1-CG2 4.37Å |
| 5 | F | 90.2 | Very high | 76.3 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.3 | 166.8 | -62.7 | -88.9 | 0 | 0 | 0 | 110.7 | S3 I32 I36 V41 L1144 V1145 V1147 | S3-F5 VanDerWaalsContact O-CD2 3.32Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; F5-I32 HydrophobicContact CB-CD1 3.8Å; F5-I32 HydrophobicContact CB-CG1 4.06Å; F5-I32 HydrophobicContact CB-CG2 4.32Å; F5-I32 HydrophobicContact CD1-CB 4.4Å; F5-I32 HydrophobicContact CD1-CG1 4.1Å; F5-I32 HydrophobicContact CD1-CG2 3.71Å; F5-I32 HydrophobicContact CD2-CG2 3.69Å; F5-I32 HydrophobicContact CE1-CG2 3.84Å; F5-I32 HydrophobicContact CE2-CG2 3.81Å; F5-I32 HydrophobicContact CG-CD1 4.29Å; F5-I32 HydrophobicContact CG-CG1 4.13Å; F5-I32 HydrophobicContact CG-CG2 3.63Å; F5-I32 HydrophobicContact CZ-CG2 3.88Å; F5-I36 HydrophobicContact CE1-CG1 4.32Å; F5-I36 HydrophobicContact CE2-CD1 3.93Å; F5-I36 HydrophobicContact CE2-CG1 4.3Å; F5-I36 HydrophobicContact CZ-CD1 3.7Å; F5-I36 HydrophobicContact CZ-CG1 3.56Å; F5-V41 HydrophobicContact CE1-CB 4.49Å; F5-V41 HydrophobicContact CE1-CG1 3.8Å; F5-V41 HydrophobicContact CE1-CG2 4.06Å; F5-V41 HydrophobicContact CE2-CG1 4.37Å; F5-V41 HydrophobicContact CZ-CB 4.26Å; F5-V41 HydrophobicContact CZ-CG1 3.59Å; F5-V41 HydrophobicContact CZ-CG2 3.64Å; F5-L1144 WeakPolarHBondContact O-CA 3.5Å; F5-V1145 PolarHBondContact N-O 3.27Å; F5-V1145 PolarHBondContact O-N 3Å; F5-V1147 HydrophobicContact CD2-CB 4.48Å; F5-V1147 HydrophobicContact CD2-CG2 3.86Å; F5-V1147 HydrophobicContact CE2-CB 4.11Å; F5-V1147 HydrophobicContact CE2-CG2 3.79Å |
| 6 | L | 91.3 | Very high | 75.8 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.3 | 176.2 | -65.9 | 172.9 | 0 | 0 | 0 | 108.8 | L47 I65 T349 L355 F1142 G1143 L1144 | L6-L47 HydrophobicContact CD1-CD1 4.29Å; L6-I65 HydrophobicContact CD1-CD1 4.33Å; L6-I65 HydrophobicContact CD2-CD1 4.02Å; L6-T349 WeakPolarHBondContact O-CG2 3.46Å; L6-L355 HydrophobicContact CD1-CD1 4.06Å; L6-L355 HydrophobicContact CD1-CD2 4.01Å; L6-L355 HydrophobicContact CD1-CG 4.33Å; L6-F1142 HydrophobicContact CB-CE2 4.37Å; L6-F1142 HydrophobicContact CD2-CE2 4.03Å; L6-F1142 HydrophobicContact CD2-CZ 3.92Å; L6-G1143 CarbonylContact C-O 3.59Å; L6-G1143 WeakPolarHBondContact CA-O 3.38Å; L6-L1144 HydrophobicContact CD2-CB 4.02Å; L6-L1144 HydrophobicContact CD2-CD1 3.65Å; L6-L1144 HydrophobicContact CD2-CG 4.31Å |
| 7 | F | 89.8 | Confident | 75.9 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 145.1 | 169.8 | 70.2 | -93 | 0 | 0 | 0 | 112.2 | L25 K28 I32 T349 F1108 L1141 F1142 G1143 V1145 | F7-L25 HydrophobicContact CE1-CD1 4.39Å; F7-L25 HydrophobicContact CZ-CD1 3.68Å; F7-K28 HydrophobicContact CB-CD 4.21Å; F7-K28 HydrophobicContact CD2-CB 4.15Å; F7-K28 HydrophobicContact CD2-CD 4.03Å; F7-K28 HydrophobicContact CD2-CG 3.91Å; F7-K28 HydrophobicContact CE2-CB 4.18Å; F7-K28 HydrophobicContact CE2-CG 4.16Å; F7-K28 HydrophobicContact CG-CB 4.33Å; F7-K28 HydrophobicContact CG-CD 4.23Å; F7-K28 HydrophobicContact CG-CG 4.39Å; F7-K28 HydrophobicContact CZ-CB 4.36Å; F7-I32 HydrophobicContact CD1-CD1 4.23Å; F7-T349 HydrophobicContact CB-CG2 3.98Å; F7-F1108 HydrophobicContact CE1-CE1 4.08Å; F7-F1108 HydrophobicContact CZ-CD1 4.18Å; F7-F1108 AromaticContact CZ-CE1 3.81Å; F7-F1108 HydrophobicContact CZ-CE1 3.81Å; F7-L1141 HydrophobicContact CE2-CD2 4.49Å; F7-F1142 VanDerWaalsContact O-CD2 3.31Å; F7-F1142 WeakPolarHBondContact O-CD2 3.23Å; F7-G1143 PolarHBondContact N-O 3.45Å; F7-G1143 PolarHBondContact O-N 2.7Å; F7-V1145 HydrophobicContact CE1-CG2 3.99Å |
| 8 | A | 88.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I81 L86 V353 L1141 | A8-I81 HydrophobicContact CB-CG2 4.5Å; A8-L86 HydrophobicContact CB-CD2 4.45Å; A8-V353 HydrophobicContact CB-CG2 3.68Å; A8-L1141 WeakPolarHBondContact CA-O 3.06Å |
| 9 | Q | 84 | Confident | 76.3 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.6 | 177.9 | -179.3 | 155.7 | -12.1 | 0 | 0 | 111 | D24 C1140 L1141 | Q9-D24 VanDerWaalsContact NE2-CB 3.31Å; Q9-D24 PolarHBondContact NE2-OD1 2.9Å; Q9-C1140 CarbonylContact O-C 3.59Å; Q9-C1140 VanDerWaalsContact O-CA 3.27Å; Q9-C1140 WeakPolarHBondContact O-CA 3.24Å; Q9-C1140 PolarHBondContact O-SG 3.01Å; Q9-L1141 PolarHBondContact N-O 3.34Å; Q9-L1141 PolarHBondContact O-N 3.24Å |
| 10 | D | 79.4 | Confident | 76.6 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.9 | 177.5 | 175.7 | -0.5 | 0 | 0 | 0 | 110.5 | G12 L86 P1138 | D10-G12 PolarHBondContact OD1-N 3.11Å; D10-L86 HydrophobicContact CB-CB 4.06Å; D10-L86 HydrophobicContact CB-CD2 4.48Å; D10-P1138 WeakPolarHBondContact OD1-CB 3.23Å |
| 11 | H | 72.1 | Confident | 77.1 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 96.6 | 168.8 | -65.6 | -88.5 | 0 | 0 | 0 | 108.9 | L21 D24 W1110 R1139 | H11-L21 VanDerWaalsContact CE1-CD2 3.43Å; H11-L21 WeakPolarHBondContact CE1-CD2 3.45Å; H11-L21 WeakPolarHBondContact ND1-CD2 3.5Å; H11-D24 IonicContact CE1-OD2 2.75Å; H11-D24 PolarHBondContact CE1-OD2 3.33Å; H11-D24 IonicContact ND1-OD2 3.78Å; H11-W1110 HydrophobicContact CB-CH2 4.36Å; H11-W1110 HydrophobicContact CB-CZ3 4.22Å; H11-W1110 AromaticContact CD2-CH2 3.5Å; H11-W1110 AromaticContact CD2-CZ3 3.61Å; H11-W1110 AromaticContact CG-CH2 3.89Å; H11-R1139 PolarHBondContact N-O 2.87Å; H11-R1139 PolarHBondContact O-N 2.92Å |
| 12 | G | 56.8 | Low | 77.7 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | trans | -64.3 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D10 G14 | D10-G12 PolarHBondContact OD1-N 3.11Å; G12-G14 PolarHBondContact O-N 2.9Å | ||
| 13 | K | 50.6 | Low | 77.9 | Confident | 140 Ų | 140 | 46.4 Ų | 46.4 | 61% | 0.609 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -52.4 | 15.9 | -161.6 | -53.4 | 176.8 | 177.6 | 168 | 0 | 120.7 | E1135 | K13-E1135 IonicContact NZ-OE1 2.75Å; K13-E1135 PolarHBondContact NZ-OE1 3.3Å |
| 14 | G | 51.3 | Low | 78 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -116.1 | 147.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | G12 S16 | G12-G14 PolarHBondContact O-N 2.9Å; G14-S16 PolarHBondContact O-N 3.05Å |
| 15 | E | 58.6 | Low | 78 | Confident | 205 Ų | 205 | 47.7 Ų | 47.7 | 96% | 0.958 | 27% | 0.268 | S | S | * | . | trans | -57.8 | 107.8 | 172.2 | -66.7 | -171.6 | 150.5 | 0 | 0 | 109.7 | S17 | E15-S17 PolarHBondContact O-N 2.71Š| ||
| 16 | S | 67.7 | Low | 78 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | trans | -73.2 | 119.8 | 178 | -65.6 | 0 | 0 | 0 | 0 | 108.1 | G14 | G14-S16 PolarHBondContact O-N 3.05Š| ||
| 17 | S | 76.9 | Confident | 77.9 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | trans | -59 | 148 | 179.5 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | E15 C19 Q20 L21 | E15-S17 PolarHBondContact O-N 2.71Å; S17-C19 PolarHBondContact O-N 2.75Å; S17-C19 VanDerWaalsContact O-N 3.09Å; S17-Q20 WeakPolarHBondContact O-CA 3.45Å; S17-Q20 WeakPolarHBondContact O-CB 3.36Å; S17-Q20 PolarHBondContact O-N 3.14Å; S17-Q20 WeakPolarHBondContact OG-CB 3.34Å; S17-Q20 PolarHBondContact OG-N 3.16Å; S17-L21 PolarHBondContact O-N 2.94Å | ||
| 18 | H | 79.7 | Confident | 77.9 | Confident | 70 Ų | 70 | 53 Ų | 53 | 32% | 0.324 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.9 | -34.6 | -179.1 | -60.1 | -65.5 | 0 | 0 | 0 | 112.6 | Q22 H1066 | H18-Q22 WeakPolarHBondContact O-CB 3.29Å; H18-Q22 PolarHBondContact O-N 3.35Å; H18-Q22 VanDerWaalsContact O-N 3.08Å; H18-H1066 HydrophobicContact CB-CB 4.43Å; H18-H1066 AromaticContact CG-CD2 3.91Å; H18-H1066 AromaticContact ND1-CD2 3.39Å; H18-H1066 PolarHBondContact ND1-CD2 2.98Å; H18-H1066 AromaticContact ND1-CG 3.55Å |
| 19 | C | 79.9 | Confident | 78.1 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 174.3 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | S17 Q22 N23 I1081 | S17-C19 PolarHBondContact O-N 2.75Å; S17-C19 VanDerWaalsContact O-N 3.09Å; C19-Q22 PolarHBondContact O-N 2.95Å; C19-N23 WeakPolarHBondContact O-CB 3.15Å; C19-N23 PolarHBondContact O-N 3Å; C19-N23 PolarHBondContact O-ND2 3.41Å; C19-I1081 HydrophobicContact CB-CG2 4.43Å |
| 20 | Q | 83.5 | Confident | 78.3 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 175.1 | -178.1 | 56.3 | 48.4 | 0 | 0 | 110.9 | S17 Q22 N23 D24 | S17-Q20 WeakPolarHBondContact O-CA 3.45Å; S17-Q20 WeakPolarHBondContact O-CB 3.36Å; S17-Q20 PolarHBondContact O-N 3.14Å; S17-Q20 WeakPolarHBondContact OG-CB 3.34Å; S17-Q20 PolarHBondContact OG-N 3.16Å; Q20-Q22 PolarHBondContact O-N 3.01Å; Q20-N23 PolarHBondContact O-N 2.75Å; Q20-D24 PolarHBondContact NE2-OD1 3.03Å; Q20-D24 VanDerWaalsContact NE2-OD1 3.09Å; Q20-D24 PolarHBondContact NE2-OD2 3.23Å; Q20-D24 WeakPolarHBondContact O-CB 3.49Å; Q20-D24 VanDerWaalsContact O-CG 3.31Å; Q20-D24 PolarHBondContact O-N 2.86Å; Q20-D24 VanDerWaalsContact O-OD2 3.12Å |
| 21 | L | 86 | Confident | 78.8 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.2 | -39.3 | 175 | -64.9 | 179.2 | 0 | 0 | 0 | 112.3 | H11 S17 L25 H1066 P1067 W1110 | H11-L21 VanDerWaalsContact CE1-CD2 3.43Å; H11-L21 WeakPolarHBondContact CE1-CD2 3.45Å; H11-L21 WeakPolarHBondContact ND1-CD2 3.5Å; S17-L21 PolarHBondContact O-N 2.94Å; L21-L25 PolarHBondContact O-N 2.87Å; L21-L25 VanDerWaalsContact O-N 3.1Å; L21-H1066 HydrophobicContact CD1-CB 4.04Å; L21-P1067 HydrophobicContact CB-CB 4.46Å; L21-W1110 HydrophobicContact CD1-CZ2 4.28Å; L21-W1110 HydrophobicContact CD2-CH2 3.79Å; L21-W1110 HydrophobicContact CD2-CZ2 4.08Å |
| 22 | Q | 87.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72 | -41.9 | 178.7 | -167 | 73.1 | 5.8 | 0 | 0 | 112.8 | H18 C19 Q20 D24 L25 H26 L1068 F1080 I1081 | H18-Q22 WeakPolarHBondContact O-CB 3.29Å; H18-Q22 PolarHBondContact O-N 3.35Å; H18-Q22 VanDerWaalsContact O-N 3.08Å; C19-Q22 PolarHBondContact O-N 2.95Å; Q20-Q22 PolarHBondContact O-N 3.01Å; Q22-D24 VanDerWaalsContact C-N 3.31Å; Q22-L25 PolarHBondContact O-N 3.11Å; Q22-H26 PolarHBondContact O-N 3.18Å; Q22-L1068 PolarHBondContact NE2-O 2.96Å; Q22-L1068 PolarHBondContact OE1-O 2.9Å; Q22-F1080 PolarHBondContact NE2-O 3.18Å; Q22-I1081 HydrophobicContact CG-CB 4.49Å; Q22-I1081 HydrophobicContact CG-CG1 4.09Å |
| 23 | N | 86.5 | Confident | 81.1 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174 | -70.7 | -23.9 | 0 | 0 | 0 | 111.3 | C19 Q20 H26 E27 I1081 | C19-N23 WeakPolarHBondContact O-CB 3.15Å; C19-N23 PolarHBondContact O-N 3Å; C19-N23 PolarHBondContact O-ND2 3.41Å; Q20-N23 PolarHBondContact O-N 2.75Å; N23-H26 PolarHBondContact O-N 3.03Å; N23-E27 PolarHBondContact O-N 3.07Å; N23-I1081 WeakPolarHBondContact OD1-CD1 3.11Å |
| 24 | D | 88.2 | Confident | 82.8 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 17% | 0.166 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.6 | -79.5 | -39.4 | 0 | 0 | 0 | 111.5 | Q9 H11 Q20 Q22 H26 E27 K28 | Q9-D24 VanDerWaalsContact NE2-CB 3.31Å; Q9-D24 PolarHBondContact NE2-OD1 2.9Å; H11-D24 IonicContact CE1-OD2 2.75Å; H11-D24 PolarHBondContact CE1-OD2 3.33Å; H11-D24 IonicContact ND1-OD2 3.78Å; Q20-D24 PolarHBondContact NE2-OD1 3.03Å; Q20-D24 VanDerWaalsContact NE2-OD1 3.09Å; Q20-D24 PolarHBondContact NE2-OD2 3.23Å; Q20-D24 WeakPolarHBondContact O-CB 3.49Å; Q20-D24 VanDerWaalsContact O-CG 3.31Å; Q20-D24 PolarHBondContact O-N 2.86Å; Q20-D24 VanDerWaalsContact O-OD2 3.12Å; Q22-D24 VanDerWaalsContact C-N 3.31Å; D24-H26 PolarHBondContact O-N 3.46Å; D24-E27 PolarHBondContact O-N 2.98Å; D24-K28 WeakPolarHBondContact O-CG 3.46Å; D24-K28 PolarHBondContact O-N 3.03Å; D24-K28 VanDerWaalsContact O-N 3.1Å |
| 25 | L | 90.2 | Very high | 84.3 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 172 | 177.3 | 63.4 | 0 | 0 | 0 | 112.2 | F7 L21 Q22 K28 L29 P1067 L1069 F1108 | F7-L25 HydrophobicContact CE1-CD1 4.39Å; F7-L25 HydrophobicContact CZ-CD1 3.68Å; L21-L25 PolarHBondContact O-N 2.87Å; L21-L25 VanDerWaalsContact O-N 3.1Å; Q22-L25 PolarHBondContact O-N 3.11Å; L25-K28 PolarHBondContact O-N 3.09Å; L25-K28 VanDerWaalsContact O-N 3.17Å; L25-L29 HydrophobicContact CD1-CD1 4.32Å; L25-L29 HydrophobicContact CD1-CG 4.29Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 HydrophobicContact CG-CG 4.48Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.22Å; L25-P1067 HydrophobicContact CB-CB 4Å; L25-P1067 HydrophobicContact CB-CG 4.01Å; L25-P1067 HydrophobicContact CD2-CB 3.78Å; L25-P1067 HydrophobicContact CD2-CG 3.87Å; L25-P1067 HydrophobicContact CG-CG 4.42Å; L25-L1069 HydrophobicContact CD2-CB 4.39Å; L25-F1108 HydrophobicContact CD1-CE1 3.84Å; L25-F1108 HydrophobicContact CD1-CZ 3.81Å; L25-F1108 HydrophobicContact CD2-CE2 4.35Å; L25-F1108 HydrophobicContact CD2-CZ 4.18Å |
| 26 | H | 89 | Confident | 85.5 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 11% | 0.111 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 179.7 | 177.6 | 81.9 | 0 | 0 | 0 | 112 | Q22 N23 D24 K28 L29 K30 L1098 | Q22-H26 PolarHBondContact O-N 3.18Å; N23-H26 PolarHBondContact O-N 3.03Å; D24-H26 PolarHBondContact O-N 3.46Å; H26-K28 VanDerWaalsContact C-N 3.26Å; H26-K28 PolarHBondContact O-N 3.38Å; H26-L29 PolarHBondContact O-N 2.87Å; H26-K30 VanDerWaalsContact O-CB 3.29Å; H26-K30 WeakPolarHBondContact O-CB 3.29Å; H26-K30 PolarHBondContact O-N 3.38Å; H26-L1098 VanDerWaalsContact CE1-CD2 3.48Å; H26-L1098 WeakPolarHBondContact CE1-CD2 3.35Å |
| 27 | E | 89.7 | Confident | 86.2 | Confident | 100 Ų | 100 | 38.1 Ų | 38.1 | 47% | 0.467 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.1 | -29.4 | 174.2 | -71.1 | -65 | 144.8 | 0 | 0 | 112.4 | N23 D24 K30 E31 | N23-E27 PolarHBondContact O-N 3.07Å; D24-E27 PolarHBondContact O-N 2.98Å; E27-K30 WeakPolarHBondContact O-CB 3.42Å; E27-K30 PolarHBondContact O-N 2.94Å; E27-K30 IonicContact OE1-NZ 3.97Å; E27-K30 PolarHBondContact OE1-NZ 3.17Å; E27-K30 IonicContact OE2-NZ 3.73Å; E27-K30 PolarHBondContact OE2-NZ 3.06Å; E27-E31 WeakPolarHBondContact O-CB 3.49Å; E27-E31 PolarHBondContact O-N 2.99Å |
| 28 | K | 90.7 | Very high | 86.3 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.7 | -40 | 172.7 | -73.6 | -70.8 | 167.2 | -164.7 | 0 | 113.9 | F7 D24 L25 H26 K30 E31 I32 | F7-K28 HydrophobicContact CB-CD 4.21Å; F7-K28 HydrophobicContact CD2-CB 4.15Å; F7-K28 HydrophobicContact CD2-CD 4.03Å; F7-K28 HydrophobicContact CD2-CG 3.91Å; F7-K28 HydrophobicContact CE2-CB 4.18Å; F7-K28 HydrophobicContact CE2-CG 4.16Å; F7-K28 HydrophobicContact CG-CB 4.33Å; F7-K28 HydrophobicContact CG-CD 4.23Å; F7-K28 HydrophobicContact CG-CG 4.39Å; F7-K28 HydrophobicContact CZ-CB 4.36Å; D24-K28 WeakPolarHBondContact O-CG 3.46Å; D24-K28 PolarHBondContact O-N 3.03Å; D24-K28 VanDerWaalsContact O-N 3.1Å; L25-K28 PolarHBondContact O-N 3.09Å; L25-K28 VanDerWaalsContact O-N 3.17Å; H26-K28 VanDerWaalsContact C-N 3.26Å; H26-K28 PolarHBondContact O-N 3.38Å; K28-K30 PolarHBondContact O-N 3.37Å; K28-E31 WeakPolarHBondContact CD-OE2 3.3Å; K28-E31 IonicContact NZ-OE2 3.44Å; K28-E31 PolarHBondContact NZ-OE2 3.36Å; K28-E31 PolarHBondContact O-N 2.6Å; K28-I32 WeakPolarHBondContact O-CG1 3.38Å; K28-I32 PolarHBondContact O-N 3.22Å |
| 29 | L | 91 | Very high | 85.9 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -31.9 | 172.6 | -64.7 | 167.9 | 0 | 0 | 0 | 111.5 | L25 H26 S33 L1069 V1077 L1098 V1145 | L25-L29 HydrophobicContact CD1-CD1 4.32Å; L25-L29 HydrophobicContact CD1-CG 4.29Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 HydrophobicContact CG-CG 4.48Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.22Å; H26-L29 PolarHBondContact O-N 2.87Å; L29-S33 WeakPolarHBondContact O-CB 3.32Å; L29-S33 PolarHBondContact O-N 3.38Å; L29-L1069 HydrophobicContact CD1-CD1 3.83Å; L29-V1077 HydrophobicContact CD1-CG1 4.5Å; L29-L1098 HydrophobicContact CB-CD1 3.83Å; L29-L1098 HydrophobicContact CB-CD2 4.34Å; L29-L1098 HydrophobicContact CD1-CD1 4.37Å; L29-V1145 HydrophobicContact CD2-CG1 4.41Å; L29-V1145 HydrophobicContact CD2-CG2 4.19Å |
| 30 | K | 89.7 | Confident | 85.3 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71.7 | -38.7 | 173.9 | -174.4 | 175.2 | 160.8 | -145.8 | 0 | 112.6 | H26 E27 K28 S33 E34 L1098 | H26-K30 VanDerWaalsContact O-CB 3.29Å; H26-K30 WeakPolarHBondContact O-CB 3.29Å; H26-K30 PolarHBondContact O-N 3.38Å; E27-K30 WeakPolarHBondContact O-CB 3.42Å; E27-K30 PolarHBondContact O-N 2.94Å; E27-K30 IonicContact OE1-NZ 3.97Å; E27-K30 PolarHBondContact OE1-NZ 3.17Å; E27-K30 IonicContact OE2-NZ 3.73Å; E27-K30 PolarHBondContact OE2-NZ 3.06Å; K28-K30 PolarHBondContact O-N 3.37Å; K30-S33 PolarHBondContact O-N 2.77Å; K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.32Å; K30-L1098 HydrophobicContact CB-CD2 3.66Å; K30-L1098 HydrophobicContact CG-CD2 4.36Å |
| 31 | E | 88.8 | Confident | 84.6 | Confident | 73 Ų | 73 | 37 Ų | 37 | 34% | 0.341 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.9 | -45 | 170.8 | -173.7 | 175.6 | -174 | 0 | 0 | 111.2 | E27 K28 E34 Q35 | E27-E31 WeakPolarHBondContact O-CB 3.49Å; E27-E31 PolarHBondContact O-N 2.99Å; K28-E31 WeakPolarHBondContact CD-OE2 3.3Å; K28-E31 IonicContact NZ-OE2 3.44Å; K28-E31 PolarHBondContact NZ-OE2 3.36Å; K28-E31 PolarHBondContact O-N 2.6Å; E31-E34 PolarHBondContact O-N 3.47Å; E31-Q35 WeakPolarHBondContact O-CB 3.49Å; E31-Q35 PolarHBondContact O-N 3.48Å |
| 32 | I | 88.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 173 | -69.8 | 165.7 | 0 | 0 | 0 | 111.1 | F5 F7 K28 Q35 I36 L1100 V1145 | F5-I32 HydrophobicContact CB-CD1 3.8Å; F5-I32 HydrophobicContact CB-CG1 4.06Å; F5-I32 HydrophobicContact CB-CG2 4.32Å; F5-I32 HydrophobicContact CD1-CB 4.4Å; F5-I32 HydrophobicContact CD1-CG1 4.1Å; F5-I32 HydrophobicContact CD1-CG2 3.71Å; F5-I32 HydrophobicContact CD2-CG2 3.69Å; F5-I32 HydrophobicContact CE1-CG2 3.84Å; F5-I32 HydrophobicContact CE2-CG2 3.81Å; F5-I32 HydrophobicContact CG-CD1 4.29Å; F5-I32 HydrophobicContact CG-CG1 4.13Å; F5-I32 HydrophobicContact CG-CG2 3.63Å; F5-I32 HydrophobicContact CZ-CG2 3.88Å; F7-I32 HydrophobicContact CD1-CD1 4.23Å; K28-I32 WeakPolarHBondContact O-CG1 3.38Å; K28-I32 PolarHBondContact O-N 3.22Å; I32-Q35 WeakPolarHBondContact O-CB 3.44Å; I32-Q35 PolarHBondContact O-N 3.11Å; I32-I36 HydrophobicContact CG2-CD1 4.04Å; I32-I36 WeakPolarHBondContact O-CG1 3.36Å; I32-I36 PolarHBondContact O-N 3.2Å; I32-L1100 HydrophobicContact CG2-CD1 3.95Å; I32-V1145 HydrophobicContact CD1-CB 4.46Å |
| 33 | S | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 179.5 | -171.9 | 0 | 0 | 0 | 0 | 113 | L29 K30 Q35 I36 K37 L1098 D1099 | L29-S33 WeakPolarHBondContact O-CB 3.32Å; L29-S33 PolarHBondContact O-N 3.38Å; K30-S33 PolarHBondContact O-N 2.77Å; S33-Q35 VanDerWaalsContact C-N 3.3Å; S33-Q35 PolarHBondContact O-N 2.84Å; S33-I36 WeakPolarHBondContact O-CB 3.27Å; S33-I36 PolarHBondContact O-N 2.91Å; S33-I36 VanDerWaalsContact O-N 3.13Å; S33-K37 WeakPolarHBondContact O-CE 3.44Å; S33-K37 WeakPolarHBondContact O-CG 3.29Å; S33-K37 PolarHBondContact O-N 3.42Å; S33-K37 WeakPolarHBondContact OG-CE 3.29Å; S33-K37 PolarHBondContact OG-NZ 3.33Å; S33-L1098 VanDerWaalsContact CB-O 3.27Å; S33-L1098 WeakPolarHBondContact CB-O 3.18Å; S33-L1098 PolarHBondContact OG-O 3.09Å; S33-D1099 PolarHBondContact OG-O 3.36Å |
| 34 | E | 86.6 | Confident | 82.9 | Confident | 54 Ų | 54 | 38.8 Ų | 38.8 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.5 | -32.9 | 175.3 | -69.9 | -61.2 | 122.9 | 0 | 0 | 112 | K30 E31 K37 R38 | K30-E34 WeakPolarHBondContact O-CG 3.38Å; K30-E34 PolarHBondContact O-N 3.32Å; E31-E34 PolarHBondContact O-N 3.47Å; E34-K37 PolarHBondContact O-N 3.41Å; E34-K37 WeakPolarHBondContact OE1-CD 3.26Å; E34-K37 WeakPolarHBondContact OE1-CE 3.32Å; E34-K37 IonicContact OE1-NZ 3.42Å; E34-K37 PolarHBondContact OE1-NZ 3.4Å; E34-R38 WeakPolarHBondContact O-CB 3.35Å; E34-R38 WeakPolarHBondContact O-CG 3.39Å; E34-R38 PolarHBondContact O-N 3.28Å; E34-R38 IonicContact OE2-CZ 3.45Å; E34-R38 IonicContact OE2-NE 3.57Å; E34-R38 PolarHBondContact OE2-NE 3.46Å; E34-R38 IonicContact OE2-NH2 3.51Å; E34-R38 PolarHBondContact OE2-NH2 2.93Å |
| 35 | Q | 84.2 | Confident | 82.7 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 170.1 | -177.9 | 176.1 | -8 | 0 | 0 | 111.9 | E31 I32 S33 K37 D39 G40 | E31-Q35 WeakPolarHBondContact O-CB 3.49Å; E31-Q35 PolarHBondContact O-N 3.48Å; I32-Q35 WeakPolarHBondContact O-CB 3.44Å; I32-Q35 PolarHBondContact O-N 3.11Å; S33-Q35 VanDerWaalsContact C-N 3.3Å; S33-Q35 PolarHBondContact O-N 2.84Å; Q35-K37 VanDerWaalsContact C-N 3.33Å; Q35-K37 PolarHBondContact O-N 3.42Å; Q35-D39 PolarHBondContact O-N 3.39Å; Q35-G40 VanDerWaalsContact CG-O 3.27Å; Q35-G40 WeakPolarHBondContact CG-O 3.44Å; Q35-G40 PolarHBondContact NE2-O 3.23Å; Q35-G40 PolarHBondContact O-N 3.35Å |
| 36 | I | 82.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -36.3 | 174.1 | -67 | 165.1 | 0 | 0 | 0 | 111.5 | F5 I32 S33 V41 L1100 R1158 | F5-I36 HydrophobicContact CE1-CG1 4.32Å; F5-I36 HydrophobicContact CE2-CD1 3.93Å; F5-I36 HydrophobicContact CE2-CG1 4.3Å; F5-I36 HydrophobicContact CZ-CD1 3.7Å; F5-I36 HydrophobicContact CZ-CG1 3.56Å; I32-I36 HydrophobicContact CG2-CD1 4.04Å; I32-I36 WeakPolarHBondContact O-CG1 3.36Å; I32-I36 PolarHBondContact O-N 3.2Å; S33-I36 WeakPolarHBondContact O-CB 3.27Å; S33-I36 PolarHBondContact O-N 2.91Å; S33-I36 VanDerWaalsContact O-N 3.13Å; I36-V41 HydrophobicContact CG1-CG2 3.87Å; I36-L1100 HydrophobicContact CD1-CD1 4Å; I36-R1158 PolarHBondContact O-NE 3.27Å; I36-R1158 PolarHBondContact O-NH2 2.7Å |
| 37 | K | 83 | Confident | 82.6 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.1 | -31.5 | 179 | -71.7 | 174.1 | -124.7 | -176.9 | 0 | 114.7 | S33 E34 Q35 L1098 D1099 L1157 R1158 | S33-K37 WeakPolarHBondContact O-CE 3.44Å; S33-K37 WeakPolarHBondContact O-CG 3.29Å; S33-K37 PolarHBondContact O-N 3.42Å; S33-K37 WeakPolarHBondContact OG-CE 3.29Å; S33-K37 PolarHBondContact OG-NZ 3.33Å; E34-K37 PolarHBondContact O-N 3.41Å; E34-K37 WeakPolarHBondContact OE1-CD 3.26Å; E34-K37 WeakPolarHBondContact OE1-CE 3.32Å; E34-K37 IonicContact OE1-NZ 3.42Å; E34-K37 PolarHBondContact OE1-NZ 3.4Å; Q35-K37 VanDerWaalsContact C-N 3.33Å; Q35-K37 PolarHBondContact O-N 3.42Å; K37-L1098 PolarHBondContact NZ-O 3Å; K37-L1098 VanDerWaalsContact NZ-O 3.08Å; K37-D1099 IonicContact NZ-OD2 3.34Å; K37-D1099 PolarHBondContact NZ-OD2 3.33Å; K37-L1157 HydrophobicContact CG-CB 4.31Å; K37-L1157 HydrophobicContact CG-CD2 4.5Å; K37-R1158 WeakPolarHBondContact O-CG 3.49Å |
| 38 | R | 79 | Confident | 82.4 | Confident | 141 Ų | 141 | 42.9 Ų | 42.9 | 53% | 0.532 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -69.9 | -169.5 | -58 | -178.6 | -164.8 | -128.6 | 0.7 | 112.8 | E34 | E34-R38 WeakPolarHBondContact O-CB 3.35Å; E34-R38 WeakPolarHBondContact O-CG 3.39Å; E34-R38 PolarHBondContact O-N 3.28Å; E34-R38 IonicContact OE2-CZ 3.45Å; E34-R38 IonicContact OE2-NE 3.57Å; E34-R38 PolarHBondContact OE2-NE 3.46Å; E34-R38 IonicContact OE2-NH2 3.51Å; E34-R38 PolarHBondContact OE2-NH2 2.93Å |
| 39 | D | 70.2 | Confident | 82.2 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -16.5 | -155.8 | -67.6 | -51 | 0 | 0 | 0 | 115.1 | Q35 | Q35-D39 PolarHBondContact O-N 3.39Š|
| 40 | G | 67.7 | Low | 82.1 | Confident | 8 Ų | 8 | 44 Ų | 44 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | trans | 102.6 | 151 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q35 S42 | Q35-G40 VanDerWaalsContact CG-O 3.27Å; Q35-G40 WeakPolarHBondContact CG-O 3.44Å; Q35-G40 PolarHBondContact NE2-O 3.23Å; Q35-G40 PolarHBondContact O-N 3.35Å; G40-S42 PolarHBondContact O-N 2.94Å | ||
| 41 | V | 68.5 | Low | 81.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | trans | -95.6 | 96.5 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | F5 I36 | F5-V41 HydrophobicContact CE1-CB 4.49Å; F5-V41 HydrophobicContact CE1-CG1 3.8Å; F5-V41 HydrophobicContact CE1-CG2 4.06Å; F5-V41 HydrophobicContact CE2-CG1 4.37Å; F5-V41 HydrophobicContact CZ-CB 4.26Å; F5-V41 HydrophobicContact CZ-CG1 3.59Å; F5-V41 HydrophobicContact CZ-CG2 3.64Å; I36-V41 HydrophobicContact CG1-CG2 3.87Å | ||
| 42 | S | 67.4 | Low | 81.3 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | trans | -95.9 | 104.1 | -179.2 | 71.1 | 0 | 0 | 0 | 0 | 110.6 | G40 R350 | G40-S42 PolarHBondContact O-N 2.94Å; S42-R350 PolarHBondContact OG-NE 3.02Å; S42-R350 PolarHBondContact OG-NH2 2.96Å | ||
| 43 | I | 75.9 | Confident | 81 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | trans | -85.4 | 145.4 | 175.9 | -105.3 | -173 | 0 | 0 | 0 | 111.5 | I4 L47 T51 | I4-I43 HydrophobicContact CB-CD1 3.69Å; I4-I43 HydrophobicContact CB-CG1 4.42Å; I4-I43 HydrophobicContact CD1-CD1 4.16Å; I4-I43 HydrophobicContact CG1-CD1 4.07Å; I43-L47 HydrophobicContact CG2-CB 4.01Å; I43-T51 HydrophobicContact CD1-CG2 4Å; I43-T51 HydrophobicContact CG2-CG2 4.17Å | ||
| 44 | P | 81.4 | Confident | 81 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | trans | -58.6 | 142.5 | 168.9 | -22.2 | 33.7 | 0 | 0 | 0 | 112.1 | V46 L47 R48 L355 | P44-V46 VanDerWaalsContact C-N 3.29Å; P44-V46 HydrophobicContact CB-CG1 4.3Å; P44-V46 PolarHBondContact O-N 3.34Å; P44-L47 HydrophobicContact CG-CD1 4.48Å; P44-L47 PolarHBondContact O-N 2.92Å; P44-R48 PolarHBondContact O-N 3.35Å; P44-L355 HydrophobicContact CB-CD1 4.01Å; P44-L355 HydrophobicContact CG-CD1 3.97Å | ||
| 45 | D | 83.8 | Confident | 81.3 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 60% | 0.599 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -54.8 | -40.3 | -172.8 | -63.8 | -91.3 | 0 | 0 | 0 | 114 | L47 R48 | D45-L47 VanDerWaalsContact C-N 3.28Å; D45-L47 PolarHBondContact O-N 3.47Å; D45-R48 WeakPolarHBondContact O-CB 3.4Å; D45-R48 PolarHBondContact O-N 3.33Å; D45-R48 VanDerWaalsContact O-N 3.07Å; D45-R48 IonicContact OD1-CZ 3.61Å; D45-R48 IonicContact OD1-NH1 2.87Å; D45-R48 PolarHBondContact OD1-NH1 3.49Å; D45-R48 IonicContact OD1-NH2 3.78Å; D45-R48 PolarHBondContact OD1-NH2 2.91Å; D45-R48 IonicContact OD2-NH2 3.77Å |
| 46 | V | 88.3 | Confident | 81.7 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59.6 | -31.5 | 175.9 | 64.1 | 0 | 0 | 0 | 0 | 114 | P44 P49 V77 L355 C356 D357 L359 | P44-V46 VanDerWaalsContact C-N 3.29Å; P44-V46 HydrophobicContact CB-CG1 4.3Å; P44-V46 PolarHBondContact O-N 3.34Å; V46-P49 WeakPolarHBondContact O-CD 3.35Å; V46-V77 HydrophobicContact CG1-CG2 4.46Å; V46-V77 HydrophobicContact CG2-CG2 4.02Å; V46-L355 HydrophobicContact CG1-CB 3.95Å; V46-L355 HydrophobicContact CG1-CD1 3.75Å; V46-C356 WeakPolarHBondContact CG1-O 3.44Å; V46-C356 WeakPolarHBondContact CG2-O 3.49Å; V46-D357 WeakPolarHBondContact CG2-O 3.4Å; V46-L359 HydrophobicContact CG2-CB 3.83Å |
| 47 | L | 90 | Very high | 82.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -88.9 | -2.9 | 178.3 | -67.1 | -178 | 0 | 0 | 0 | 112.9 | I4 L6 I43 P44 D45 L50 F67 V77 L355 | I4-L47 HydrophobicContact CD1-CB 4.21Å; I4-L47 HydrophobicContact CD1-CD1 4.16Å; I4-L47 HydrophobicContact CD1-CD2 4.36Å; I4-L47 HydrophobicContact CD1-CG 4.49Å; I4-L47 HydrophobicContact CG2-CD1 4.07Å; L6-L47 HydrophobicContact CD1-CD1 4.29Å; I43-L47 HydrophobicContact CG2-CB 4.01Å; P44-L47 HydrophobicContact CG-CD1 4.48Å; P44-L47 PolarHBondContact O-N 2.92Å; D45-L47 VanDerWaalsContact C-N 3.28Å; D45-L47 PolarHBondContact O-N 3.47Å; L47-L50 HydrophobicContact CD2-CD1 4.06Å; L47-L50 PolarHBondContact O-N 3.3Å; L47-F67 HydrophobicContact CD2-CE2 3.85Å; L47-F67 HydrophobicContact CD2-CZ 4.17Å; L47-V77 HydrophobicContact CD2-CG1 3.95Å; L47-L355 HydrophobicContact CD1-CD1 3.56Å; L47-L355 HydrophobicContact CD2-CD1 4.38Å; L47-L355 HydrophobicContact CG-CD1 3.69Å |
| 48 | R | 85.7 | Confident | 83 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -58.7 | -34.3 | -179.7 | -169.8 | 172.2 | -64.9 | 119.2 | 6 | 114.5 | P44 D45 L50 T51 | P44-R48 PolarHBondContact O-N 3.35Å; D45-R48 WeakPolarHBondContact O-CB 3.4Å; D45-R48 PolarHBondContact O-N 3.33Å; D45-R48 VanDerWaalsContact O-N 3.07Å; D45-R48 IonicContact OD1-CZ 3.61Å; D45-R48 IonicContact OD1-NH1 2.87Å; D45-R48 PolarHBondContact OD1-NH1 3.49Å; D45-R48 IonicContact OD1-NH2 3.78Å; D45-R48 PolarHBondContact OD1-NH2 2.91Å; D45-R48 IonicContact OD2-NH2 3.77Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 2.92Å; R48-T51 WeakPolarHBondContact O-CB 3.42Å; R48-T51 VanDerWaalsContact O-CG2 3.25Å; R48-T51 WeakPolarHBondContact O-CG2 3.41Å; R48-T51 PolarHBondContact O-N 2.89Å; R48-T51 PolarHBondContact O-OG1 3.21Å |
| 49 | P | 86.8 | Confident | 83.8 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -57.4 | -45.1 | 176.2 | -26.8 | 36.8 | 0 | 0 | 0 | 112.6 | V46 T51 R52 L359 | V46-P49 WeakPolarHBondContact O-CD 3.35Å; P49-T51 PolarHBondContact O-N 3.2Å; P49-R52 PolarHBondContact O-N 3.09Å; P49-L359 HydrophobicContact CB-CD2 4.25Å; P49-L359 HydrophobicContact CG-CD2 4.17Å |
| 50 | L | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -66.5 | -10.2 | -176.5 | -52.1 | -177.7 | 0 | 0 | 0 | 114.2 | I4 L47 R48 R52 I55 F67 L69 L359 F361 | I4-L50 HydrophobicContact CD1-CB 4.04Å; I4-L50 HydrophobicContact CD1-CD1 4.07Å; L47-L50 HydrophobicContact CD2-CD1 4.06Å; L47-L50 PolarHBondContact O-N 3.3Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 2.92Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 3.36Å; L50-I55 HydrophobicContact CB-CD1 4.26Å; L50-F67 HydrophobicContact CD1-CD2 3.62Å; L50-F67 HydrophobicContact CD1-CE2 3.85Å; L50-F67 HydrophobicContact CD1-CG 4Å; L50-F67 HydrophobicContact CD1-CZ 4.39Å; L50-L69 HydrophobicContact CD2-CD1 4.44Å; L50-L69 HydrophobicContact CD2-CD2 4.31Å; L50-L359 HydrophobicContact CD1-CD1 4.37Å; L50-L359 HydrophobicContact CD1-CD2 4.29Å; L50-L359 HydrophobicContact CD2-CD2 3.99Å; L50-L359 HydrophobicContact CG-CD2 3.92Å; L50-F361 HydrophobicContact CD2-CZ 4.17Å |
| 51 | T | 79.9 | Confident | 86.2 | Confident | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -64.2 | -31.2 | 178.1 | 62 | 0 | 0 | 0 | 0 | 113.2 | M1 S2 I43 R48 P49 | M1-T51 WeakPolarHBondContact CA-O 3.44Å; S2-T51 PolarHBondContact N-O 2.65Å; I43-T51 HydrophobicContact CD1-CG2 4Å; I43-T51 HydrophobicContact CG2-CG2 4.17Å; R48-T51 WeakPolarHBondContact O-CB 3.42Å; R48-T51 VanDerWaalsContact O-CG2 3.25Å; R48-T51 WeakPolarHBondContact O-CG2 3.41Å; R48-T51 PolarHBondContact O-N 2.89Å; R48-T51 PolarHBondContact O-OG1 3.21Å; P49-T51 PolarHBondContact O-N 3.2Å |
| 52 | R | 81.6 | Confident | 87.2 | Confident | 170 Ų | 170 | 43.4 Ų | 43.4 | 64% | 0.642 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -42.7 | -177.2 | -65.5 | 179.9 | 177.1 | -179.1 | -2.3 | 110.8 | M1 P49 L50 | M1-R52 VanDerWaalsContact CA-O 3.3Å; M1-R52 WeakPolarHBondContact CA-O 3.47Å; M1-R52 WeakPolarHBondContact CG-O 3.24Å; M1-R52 PolarHBondContact N-O 2.95Å; P49-R52 PolarHBondContact O-N 3.09Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 3.36Å |
| 53 | E | 83.8 | Confident | 88.3 | Confident | 88 Ų | 88 | 43.1 Ų | 43.1 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -70.4 | 164.4 | 180 | -48.7 | -41.3 | 128.7 | 0 | 0 | 112.7 | M1 S2 L69 | M1-E53 CarbonylContact C-O 3.34Å; M1-E53 WeakPolarHBondContact CA-O 3.15Å; M1-E53 PolarHBondContact N-O 2.82Å; S2-E53 PolarHBondContact N-O 3.42Å; E53-L69 HydrophobicContact CB-CD1 3.96Å; E53-L69 HydrophobicContact CB-CD2 3.8Å; E53-L69 HydrophobicContact CB-CG 4.44Å; E53-L69 HydrophobicContact CG-CD1 3.94Å |
| 54 | S | 87.6 | Confident | 89.2 | Confident | 31 Ų | 31 | 43 Ų | 43 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -101.7 | 125.4 | 169.5 | 24.5 | 0 | 0 | 0 | 0 | 110.2 | S2 L69 E70 | S2-S54 WeakPolarHBondContact OG-CA 3.48Å; S54-L69 CarbonylContact O-C 3.55Å; S54-L69 WeakPolarHBondContact O-CA 3.5Å; S54-E70 WeakPolarHBondContact CB-OE2 3.49Å; S54-E70 PolarHBondContact O-N 3.3Å; S54-E70 PolarHBondContact OG-OE2 2.87Å |
| 55 | I | 92.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.2 | -177.8 | -55.6 | 173.6 | 0 | 0 | 0 | 108.6 | S2 I4 L50 Q57 F67 L69 V1146 | S2-I55 PolarHBondContact OG-N 3.31Å; I4-I55 HydrophobicContact CD1-CD1 3.72Å; I4-I55 HydrophobicContact CG1-CD1 3.67Å; L50-I55 HydrophobicContact CB-CD1 4.26Å; I55-Q57 WeakPolarHBondContact CG2-O 3.38Å; I55-F67 HydrophobicContact CD1-CD1 4.03Å; I55-F67 HydrophobicContact CD1-CE1 4.3Å; I55-F67 HydrophobicContact CG2-CB 4.3Å; I55-F67 HydrophobicContact CG2-CD1 3.88Å; I55-L69 HydrophobicContact CB-CD2 4.48Å; I55-L69 HydrophobicContact CG1-CD2 3.83Å; I55-V1146 HydrophobicContact CB-CG1 4.2Å; I55-V1146 HydrophobicContact CD1-CG1 4.05Å; I55-V1146 HydrophobicContact CD1-CG2 4.38Å |
| 56 | A | 92.6 | Very high | 90.5 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -29.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R68 E70 | A56-R68 VanDerWaalsContact CB-NH2 3.32Å; A56-R68 PolarHBondContact N-O 3.37Å; A56-E70 HydrophobicContact CB-CG 3.91Å |
| 57 | Q | 95.1 | Very high | 91 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148 | 177.3 | -162 | -177.2 | -9.5 | 0 | 0 | 110.9 | I55 F67 R68 I377 | I55-Q57 WeakPolarHBondContact CG2-O 3.38Å; Q57-F67 CarbonylContact O-C 3.44Å; Q57-F67 WeakPolarHBondContact O-CA 3.2Å; Q57-R68 HydrophobicContact CB-CB 4.02Å; Q57-R68 PolarHBondContact N-O 2.97Å; Q57-R68 VanDerWaalsContact N-O 3.1Å; Q57-R68 PolarHBondContact O-N 3.3Å; Q57-I377 HydrophobicContact CB-CG1 4.36Å; Q57-I377 HydrophobicContact CG-CG1 4.15Å; Q57-I377 PolarHBondContact NE2-O 3.03Å |
| 58 | C | 96.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.054 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152.1 | 167.6 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | A66 F67 L1144 | C58-A66 CarbonylContact C-O 3.6Å; C58-A66 VanDerWaalsContact CA-O 3.32Å; C58-A66 WeakPolarHBondContact CA-O 3.47Å; C58-F67 HydrophobicContact CB-CD1 3.85Å; C58-F67 HydrophobicContact CB-CE1 4.17Å; C58-L1144 HydrophobicContact CB-CD2 3.65Å; C58-L1144 HydrophobicContact CB-CG 4.16Å |
| 59 | V | 96.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.5 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | A66 I377 A379 L384 | V59-A66 HydrophobicContact CG2-CB 3.83Å; V59-A66 PolarHBondContact N-O 2.88Å; V59-A66 PolarHBondContact O-N 3.01Å; V59-I377 HydrophobicContact CG1-CD1 4.26Å; V59-I377 HydrophobicContact CG1-CG1 4.14Å; V59-I377 HydrophobicContact CG2-CD1 3.91Å; V59-I377 HydrophobicContact CG2-CG1 4.45Å; V59-A379 HydrophobicContact CB-CB 3.97Å; V59-A379 HydrophobicContact CG2-CB 3.9Å; V59-L384 HydrophobicContact CG2-CD1 4.32Å |
| 60 | I | 95.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.3 | 176.6 | -60.4 | 170.9 | 0 | 0 | 0 | 108.3 | I65 S1107 A1109 F1142 L1144 | I60-I65 HydrophobicContact CG1-CG2 4.06Å; I60-I65 HydrophobicContact CG2-CG2 4.5Å; I60-S1107 WeakPolarHBondContact CD1-O 3.38Å; I60-S1107 PolarHBondContact N-OG 3.24Å; I60-A1109 HydrophobicContact CB-CB 3.91Å; I60-A1109 HydrophobicContact CD1-CB 4.45Å; I60-A1109 HydrophobicContact CG2-CB 3.53Å; I60-F1142 HydrophobicContact CD1-CD1 4.02Å; I60-F1142 HydrophobicContact CD1-CE1 4.34Å; I60-F1142 HydrophobicContact CD1-CG 4.46Å; I60-F1142 HydrophobicContact CG1-CD1 4.47Å; I60-F1142 HydrophobicContact CG1-CE1 4.46Å; I60-F1142 HydrophobicContact CG2-CD1 3.63Å; I60-F1142 HydrophobicContact CG2-CE1 3.97Å; I60-L1144 HydrophobicContact CD1-CB 3.88Å; I60-L1144 HydrophobicContact CG1-CB 4.15Å; I60-L1144 HydrophobicContact CG1-CD2 4.39Å |
| 61 | S | 92.9 | Very high | 92 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | trans | -105.1 | -175.2 | 168.5 | 86.6 | 0 | 0 | 0 | 0 | 110.3 | S63 H64 Y79 W398 | S61-S63 PolarHBondContact O-N 2.71Å; S61-S63 PolarHBondContact OG-N 2.89Å; S61-H64 PolarHBondContact N-O 2.93Å; S61-H64 PolarHBondContact OG-N 3.47Å; S61-H64 PolarHBondContact OG-O 2.85Å; S61-H64 VanDerWaalsContact OG-O 3.09Å; S61-Y79 PolarHBondContact O-OH 3.06Å; S61-W398 VanDerWaalsContact OG-CE2 3.32Å | ||
| 62 | P | 89.2 | Confident | 92.5 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -66.1 | -22.2 | 177 | -20 | 32.5 | 0 | 0 | 0 | 115 | Y79 H381 | P62-Y79 VanDerWaalsContact C-OH 3.3Å; P62-Y79 PolarHBondContact O-OH 3.44Å; P62-H381 HydrophobicContact CG-CB 4.43Å; P62-H381 VanDerWaalsContact CG-CE1 3.44Å; P62-H381 WeakPolarHBondContact CG-CE1 3.4Å; P62-H381 WeakPolarHBondContact CG-ND1 3.33Å |
| 63 | S | 91.2 | Very high | 93.1 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 30% | 0.301 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -135.3 | -14.5 | -169.5 | 61.3 | 0 | 0 | 0 | 0 | 114.8 | S61 A78 Y79 | S61-S63 PolarHBondContact O-N 2.71Å; S61-S63 PolarHBondContact OG-N 2.89Å; S63-A78 CarbonylContact O-C 3.55Å; S63-A78 WeakPolarHBondContact O-CA 3.4Å; S63-Y79 VanDerWaalsContact C-CE1 3.5Å; S63-Y79 PolarHBondContact O-N 3.17Å |
| 64 | H | 94.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.1 | -177.4 | -70.8 | 71.5 | 0 | 0 | 0 | 111.4 | S61 V77 A78 Y79 W398 | S61-H64 PolarHBondContact N-O 2.93Å; S61-H64 PolarHBondContact OG-N 3.47Å; S61-H64 PolarHBondContact OG-O 2.85Å; S61-H64 VanDerWaalsContact OG-O 3.09Å; H64-V77 WeakPolarHBondContact CA-O 3.44Å; H64-A78 PolarHBondContact CD2-N 2.89Å; H64-Y79 VanDerWaalsContact C-CE1 3.47Å; H64-W398 HydrophobicContact CB-CD2 4.21Å; H64-W398 HydrophobicContact CB-CE3 3.41Å; H64-W398 VanDerWaalsContact CB-CE3 3.41Å; H64-W398 HydrophobicContact CB-CH2 4.34Å; H64-W398 HydrophobicContact CB-CZ3 3.48Å; H64-W398 VanDerWaalsContact CB-CZ3 3.48Å; H64-W398 PolarHBondContact CE1-O 3.05Å; H64-W398 AromaticContact CG-CE3 3.55Å; H64-W398 AromaticContact ND1-CE3 3.82Å |
| 65 | I | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 141.6 | 159.9 | 60.4 | -179.6 | 0 | 0 | 0 | 108.5 | L6 I60 F67 R76 V77 Y79 L355 F1142 L1144 | L6-I65 HydrophobicContact CD1-CD1 4.33Å; L6-I65 HydrophobicContact CD2-CD1 4.02Å; I60-I65 HydrophobicContact CG1-CG2 4.06Å; I60-I65 HydrophobicContact CG2-CG2 4.5Å; I65-F67 HydrophobicContact CD1-CE2 4Å; I65-F67 HydrophobicContact CD1-CZ 3.86Å; I65-F67 HydrophobicContact CG1-CE2 4Å; I65-F67 HydrophobicContact CG1-CZ 4.27Å; I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.29Å; I65-R76 WeakPolarHBondContact O-CA 3.38Å; I65-V77 HydrophobicContact CD1-CG1 3.95Å; I65-V77 HydrophobicContact CG1-CG1 3.53Å; I65-V77 PolarHBondContact N-O 3.13Å; I65-V77 PolarHBondContact O-N 2.97Å; I65-Y79 HydrophobicContact CG2-CD1 3.88Å; I65-Y79 HydrophobicContact CG2-CE1 3.96Å; I65-L355 HydrophobicContact CD1-CD2 4.1Å; I65-F1142 HydrophobicContact CG2-CE1 3.61Å; I65-F1142 HydrophobicContact CG2-CZ 3.96Å; I65-L1144 HydrophobicContact CB-CD2 4.16Å; I65-L1144 HydrophobicContact CG2-CD2 4.34Å |
| 66 | A | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C58 V59 C75 R76 L384 W398 | C58-A66 CarbonylContact C-O 3.6Å; C58-A66 VanDerWaalsContact CA-O 3.32Å; C58-A66 WeakPolarHBondContact CA-O 3.47Å; V59-A66 HydrophobicContact CG2-CB 3.83Å; V59-A66 PolarHBondContact N-O 2.88Å; V59-A66 PolarHBondContact O-N 3.01Å; A66-C75 CarbonylContact C-O 3.56Å; A66-C75 VanDerWaalsContact CA-O 3.28Å; A66-C75 WeakPolarHBondContact CA-O 3.44Å; A66-R76 HydrophobicContact CB-CB 3.97Å; A66-L384 HydrophobicContact CB-CD1 4.07Å; A66-L384 HydrophobicContact CB-CD2 4.12Å; A66-W398 HydrophobicContact CB-CH2 4.22Å; A66-W398 HydrophobicContact CB-CZ3 4.42Å |
| 67 | F | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.9 | -173.4 | -56.2 | -86.9 | 0 | 0 | 0 | 109.9 | I4 L47 L50 I55 Q57 C58 I65 V74 C75 L1144 | I4-F67 HydrophobicContact CD1-CE1 4.1Å; I4-F67 HydrophobicContact CD1-CZ 4.07Å; I4-F67 HydrophobicContact CG1-CE1 4.44Å; I4-F67 HydrophobicContact CG2-CE1 4.43Å; I4-F67 HydrophobicContact CG2-CZ 4.37Å; L47-F67 HydrophobicContact CD2-CE2 3.85Å; L47-F67 HydrophobicContact CD2-CZ 4.17Å; L50-F67 HydrophobicContact CD1-CD2 3.62Å; L50-F67 HydrophobicContact CD1-CE2 3.85Å; L50-F67 HydrophobicContact CD1-CG 4Å; L50-F67 HydrophobicContact CD1-CZ 4.39Å; I55-F67 HydrophobicContact CD1-CD1 4.03Å; I55-F67 HydrophobicContact CD1-CE1 4.3Å; I55-F67 HydrophobicContact CG2-CB 4.3Å; I55-F67 HydrophobicContact CG2-CD1 3.88Å; Q57-F67 CarbonylContact O-C 3.44Å; Q57-F67 WeakPolarHBondContact O-CA 3.2Å; C58-F67 HydrophobicContact CB-CD1 3.85Å; C58-F67 HydrophobicContact CB-CE1 4.17Å; I65-F67 HydrophobicContact CD1-CE2 4Å; I65-F67 HydrophobicContact CD1-CZ 3.86Å; I65-F67 HydrophobicContact CG1-CE2 4Å; I65-F67 HydrophobicContact CG1-CZ 4.27Å; F67-V74 WeakPolarHBondContact O-CA 3.38Å; F67-C75 PolarHBondContact N-O 3.2Å; F67-C75 PolarHBondContact O-N 3.12Å; F67-L1144 HydrophobicContact CE1-CD1 3.94Å; F67-L1144 HydrophobicContact CE1-CD2 3.83Å; F67-L1144 HydrophobicContact CE1-CG 4.43Å; F67-L1144 HydrophobicContact CZ-CD1 4.2Å; F67-L1144 HydrophobicContact CZ-CD2 4.07Å |
| 68 | R | 96.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.4 | 164.7 | -167.9 | -175.3 | 77.2 | 76.4 | 5 | 108.4 | A56 Q57 Q73 V74 F374 A375 I377 | A56-R68 VanDerWaalsContact CB-NH2 3.32Å; A56-R68 PolarHBondContact N-O 3.37Å; Q57-R68 HydrophobicContact CB-CB 4.02Å; Q57-R68 PolarHBondContact N-O 2.97Å; Q57-R68 VanDerWaalsContact N-O 3.1Å; Q57-R68 PolarHBondContact O-N 3.3Å; R68-Q73 WeakPolarHBondContact CA-O 3.41Å; R68-V74 HydrophobicContact CB-CG2 4.2Å; R68-V74 HydrophobicContact CG-CG2 3.9Å; R68-F374 WeakPolarHBondContact CD-O 3.48Å; R68-F374 PolarHBondContact NH1-O 3.37Å; R68-A375 PolarHBondContact NE-O 2.78Å; R68-I377 HydrophobicContact CB-CD1 3.99Å; R68-I377 HydrophobicContact CB-CG1 4.16Å; R68-I377 HydrophobicContact CB-CG2 4.35Å |
| 69 | L | 94.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 164.5 | 178.2 | -63.6 | -176.7 | 0 | 0 | 0 | 111.3 | L50 E53 S54 I55 D71 G72 Q73 F361 | L50-L69 HydrophobicContact CD2-CD1 4.44Å; L50-L69 HydrophobicContact CD2-CD2 4.31Å; E53-L69 HydrophobicContact CB-CD1 3.96Å; E53-L69 HydrophobicContact CB-CD2 3.8Å; E53-L69 HydrophobicContact CB-CG 4.44Å; E53-L69 HydrophobicContact CG-CD1 3.94Å; S54-L69 CarbonylContact O-C 3.55Å; S54-L69 WeakPolarHBondContact O-CA 3.5Å; I55-L69 HydrophobicContact CB-CD2 4.48Å; I55-L69 HydrophobicContact CG1-CD2 3.83Å; L69-D71 VanDerWaalsContact C-N 3.27Å; L69-D71 WeakPolarHBondContact CB-OD1 3.49Å; L69-D71 PolarHBondContact O-N 2.68Å; L69-G72 PolarHBondContact O-N 2.81Å; L69-Q73 HydrophobicContact CD1-CB 4.3Å; L69-Q73 PolarHBondContact N-O 2.89Å; L69-F361 HydrophobicContact CD1-CE1 4.47Å |
| 70 | E | 90.5 | Very high | 93.8 | Very high | 114 Ų | 114 | 26.9 Ų | 26.9 | 53% | 0.533 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.7 | 177.3 | -79.4 | -179.5 | -179.6 | 0 | 0 | 113.1 | S54 A56 G72 | S54-E70 WeakPolarHBondContact CB-OE2 3.49Å; S54-E70 PolarHBondContact O-N 3.3Å; S54-E70 PolarHBondContact OG-OE2 2.87Å; A56-E70 HydrophobicContact CB-CG 3.91Å; E70-G72 PolarHBondContact O-N 2.85Å |
| 71 | D | 89.5 | Confident | 93.3 | Very high | 79 Ų | 79 | 27 Ų | 27 | 42% | 0.422 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -1.2 | 173.2 | 75.5 | -19.6 | 0 | 0 | 0 | 113.9 | L69 Q73 H373 | L69-D71 VanDerWaalsContact C-N 3.27Å; L69-D71 WeakPolarHBondContact CB-OD1 3.49Å; L69-D71 PolarHBondContact O-N 2.68Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.46Å; D71-Q73 PolarHBondContact OD1-N 2.93Å; D71-Q73 WeakPolarHBondContact OD2-CG 3.47Å; D71-H373 PolarHBondContact O-CD2 3.46Å; D71-H373 PolarHBondContact O-NE2 3.34Å |
| 72 | G | 91.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 89.9 | -8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L69 E70 H373 F374 | L69-G72 PolarHBondContact O-N 2.81Å; E70-G72 PolarHBondContact O-N 2.85Å; G72-H373 WeakPolarHBondContact CA-ND1 3.4Å; G72-F374 WeakPolarHBondContact CA-O 3.1Å; G72-F374 WeakPolarHBondContact O-CB 3.43Å; G72-F374 WeakPolarHBondContact O-CD2 3.21Å; G72-F374 PolarHBondContact O-N 3.14Å |
| 73 | Q | 93.6 | Very high | 91.2 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 30% | 0.304 | 15% | 0.15 | S | C | . | . | trans | -65.8 | 152.1 | 176.6 | -71.6 | -165.8 | -11.8 | 0 | 0 | 111.9 | R68 L69 D71 | R68-Q73 WeakPolarHBondContact CA-O 3.41Å; L69-Q73 HydrophobicContact CD1-CB 4.3Å; L69-Q73 PolarHBondContact N-O 2.89Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.46Å; D71-Q73 PolarHBondContact OD1-N 2.93Å; D71-Q73 WeakPolarHBondContact OD2-CG 3.47Å | ||
| 74 | V | 95.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.1 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 109.4 | F67 R68 W362 F374 I377 L384 | F67-V74 WeakPolarHBondContact O-CA 3.38Å; R68-V74 HydrophobicContact CB-CG2 4.2Å; R68-V74 HydrophobicContact CG-CG2 3.9Å; V74-W362 HydrophobicContact CB-CB 4.27Å; V74-W362 HydrophobicContact CB-CE3 4.3Å; V74-W362 HydrophobicContact CG1-CE3 3.94Å; V74-W362 WeakPolarHBondContact O-CB 3.47Å; V74-W362 PolarHBondContact O-N 3.05Å; V74-F374 HydrophobicContact CB-CD2 3.99Å; V74-F374 HydrophobicContact CB-CE2 4.36Å; V74-F374 HydrophobicContact CG2-CB 3.77Å; V74-F374 HydrophobicContact CG2-CD2 3.47Å; V74-F374 VanDerWaalsContact CG2-CD2 3.47Å; V74-F374 HydrophobicContact CG2-CE2 4.27Å; V74-F374 HydrophobicContact CG2-CG 3.79Å; V74-I377 HydrophobicContact CG1-CG2 4.11Å; V74-I377 HydrophobicContact CG2-CG2 3.58Å; V74-L384 HydrophobicContact CG1-CD2 3.95Å |
| 75 | C | 95.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.6 | 175 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | A66 F67 L359 E360 F361 | A66-C75 CarbonylContact C-O 3.56Å; A66-C75 VanDerWaalsContact CA-O 3.28Å; A66-C75 WeakPolarHBondContact CA-O 3.44Å; F67-C75 PolarHBondContact N-O 3.2Å; F67-C75 PolarHBondContact O-N 3.12Å; C75-L359 HydrophobicContact CB-CD1 4.14Å; C75-L359 HydrophobicContact CB-CG 4.42Å; C75-E360 CarbonylContact C-O 3.51Å; C75-E360 WeakPolarHBondContact CA-O 3.38Å; C75-E360 WeakPolarHBondContact CB-O 3.39Å; C75-F361 HydrophobicContact CB-CB 4.5Å; C75-F361 HydrophobicContact CB-CD1 3.83Å; C75-F361 HydrophobicContact CB-CD2 4.19Å; C75-F361 HydrophobicContact CB-CE1 4.01Å; C75-F361 HydrophobicContact CB-CE2 4.36Å; C75-F361 HydrophobicContact CB-CG 3.92Å; C75-F361 HydrophobicContact CB-CZ 4.27Å |
| 76 | R | 96.2 | Very high | 85.4 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155.9 | 179.5 | 68.7 | -178.2 | -162.8 | 175.5 | 6.6 | 111.9 | I65 A66 E360 W396 R397 W398 D400 | I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.29Å; I65-R76 WeakPolarHBondContact O-CA 3.38Å; A66-R76 HydrophobicContact CB-CB 3.97Å; R76-E360 HydrophobicContact CG-CB 4Å; R76-E360 IonicContact CZ-OE2 2.74Å; R76-E360 PolarHBondContact N-O 3.28Å; R76-E360 IonicContact NE-OE2 3.68Å; R76-E360 PolarHBondContact NE-OE2 3.39Å; R76-E360 IonicContact NH2-OE2 2.72Å; R76-E360 PolarHBondContact NH2-OE2 2.96Å; R76-E360 PolarHBondContact O-N 3.06Å; R76-W396 HydrophobicContact CG-CZ3 4.39Å; R76-W396 VanDerWaalsContact CZ-NE1 3.34Å; R76-W396 VanDerWaalsContact NH1-CD1 3.3Å; R76-R397 PolarHBondContact NH1-O 2.89Å; R76-W398 HydrophobicContact CB-CZ3 4.42Å; R76-D400 PolarHBondContact NH2-O 2.99Å |
| 77 | V | 95.7 | Very high | 82.9 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 133.9 | 170.4 | 55.5 | 0 | 0 | 0 | 0 | 110 | V46 L47 H64 I65 L355 C356 V358 L359 | V46-V77 HydrophobicContact CG1-CG2 4.46Å; V46-V77 HydrophobicContact CG2-CG2 4.02Å; L47-V77 HydrophobicContact CD2-CG1 3.95Å; H64-V77 WeakPolarHBondContact CA-O 3.44Å; I65-V77 HydrophobicContact CD1-CG1 3.95Å; I65-V77 HydrophobicContact CG1-CG1 3.53Å; I65-V77 PolarHBondContact N-O 3.13Å; I65-V77 PolarHBondContact O-N 2.97Å; V77-L355 HydrophobicContact CG2-CB 4.28Å; V77-C356 HydrophobicContact CG2-CB 4.42Å; V77-V358 WeakPolarHBondContact CG2-O 3.29Å; V77-L359 HydrophobicContact CB-CD1 4.2Å; V77-L359 HydrophobicContact CG1-CD1 4.43Å |
| 78 | A | 95 | Very high | 80.2 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 149.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S63 H64 C356 | S63-A78 CarbonylContact O-C 3.55Å; S63-A78 WeakPolarHBondContact O-CA 3.4Å; H64-A78 PolarHBondContact CD2-N 2.89Å; A78-C356 HydrophobicContact CB-CB 4.01Å; A78-C356 PolarHBondContact O-N 3.21Å |
| 79 | Y | 92.8 | Very high | 77.3 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 162.2 | 175.8 | 75.7 | -92.9 | 0 | 0 | 0 | 112.7 | S61 P62 S63 H64 I65 I81 V353 Q354 I1111 F1142 | S61-Y79 PolarHBondContact O-OH 3.06Å; P62-Y79 VanDerWaalsContact C-OH 3.3Å; P62-Y79 PolarHBondContact O-OH 3.44Å; S63-Y79 VanDerWaalsContact C-CE1 3.5Å; S63-Y79 PolarHBondContact O-N 3.17Å; H64-Y79 VanDerWaalsContact C-CE1 3.47Å; I65-Y79 HydrophobicContact CG2-CD1 3.88Å; I65-Y79 HydrophobicContact CG2-CE1 3.96Å; Y79-I81 HydrophobicContact CD2-CD1 4.37Å; Y79-I81 HydrophobicContact CD2-CG1 3.93Å; Y79-I81 HydrophobicContact CE2-CD1 3.8Å; Y79-I81 HydrophobicContact CE2-CG1 3.79Å; Y79-V353 HydrophobicContact CD2-CG1 4.47Å; Y79-Q354 CarbonylContact C-O 3.43Å; Y79-Q354 VanDerWaalsContact CA-O 3.23Å; Y79-Q354 WeakPolarHBondContact CA-O 3.49Å; Y79-I1111 HydrophobicContact CE2-CD1 4.12Å; Y79-I1111 WeakPolarHBondContact OH-CD1 3.03Å; Y79-F1142 HydrophobicContact CD1-CE1 4.01Å; Y79-F1142 HydrophobicContact CD2-CE1 4.08Å; Y79-F1142 HydrophobicContact CD2-CZ 4.44Å; Y79-F1142 HydrophobicContact CE1-CD1 4.29Å; Y79-F1142 AromaticContact CE1-CE1 3.68Å; Y79-F1142 HydrophobicContact CE1-CE1 3.68Å; Y79-F1142 HydrophobicContact CE2-CD1 4.01Å; Y79-F1142 AromaticContact CE2-CE1 3.81Å; Y79-F1142 HydrophobicContact CE2-CE1 3.81Å; Y79-F1142 HydrophobicContact CG-CE1 4.22Å; Y79-F1142 HydrophobicContact CG-CZ 4.5Å; Y79-F1142 AromaticContact CZ-CD1 3.82Å; Y79-F1142 AromaticContact CZ-CE1 3.61Å |
| 80 | T | 89.5 | Confident | 74.4 | Confident | 77 Ų | 77 | 60.8 Ų | 60.8 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.3 | 169.4 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | Q354 | T80-Q354 PolarHBondContact N-O 3.32Å; T80-Q354 PolarHBondContact O-N 2.91Å |
| 81 | I | 83.6 | Confident | 71.4 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.7 | 179.5 | -62 | -179.9 | 0 | 0 | 0 | 109.9 | A8 Y79 S83 L86 Y352 V353 I1111 N1113 F1142 | A8-I81 HydrophobicContact CB-CG2 4.5Å; Y79-I81 HydrophobicContact CD2-CD1 4.37Å; Y79-I81 HydrophobicContact CD2-CG1 3.93Å; Y79-I81 HydrophobicContact CE2-CD1 3.8Å; Y79-I81 HydrophobicContact CE2-CG1 3.79Å; I81-S83 PolarHBondContact O-N 3.02Å; I81-L86 HydrophobicContact CG2-CD1 3.74Å; I81-Y352 WeakPolarHBondContact CA-O 3.31Å; I81-V353 HydrophobicContact CG1-CG2 4.42Å; I81-I1111 HydrophobicContact CD1-CD1 3.62Å; I81-N1113 PolarHBondContact O-ND2 2.86Å; I81-F1142 HydrophobicContact CD1-CB 3.98Å; I81-F1142 HydrophobicContact CD1-CD1 4.25Å; I81-F1142 HydrophobicContact CD1-CD2 4.29Å; I81-F1142 HydrophobicContact CD1-CG 3.94Å |
| 82 | N | 76.2 | Confident | 68.7 | Low | 54 Ų | 54 | 68.7 Ų | 68.7 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | trans | -92.1 | 86.1 | -173.5 | -69.9 | -53 | 0 | 0 | 0 | 112 | D84 R85 Y352 | N82-D84 PolarHBondContact O-N 2.89Å; N82-D84 VanDerWaalsContact O-N 3.16Å; N82-R85 PolarHBondContact O-N 3.23Å; N82-Y352 PolarHBondContact N-O 3.41Å | ||
| 83 | S | 62.9 | Low | 65.8 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -46.6 | -41.1 | 177.7 | 40 | 0 | 0 | 0 | 0 | 114.4 | I81 R85 L86 S87 N1113 | I81-S83 PolarHBondContact O-N 3.02Å; S83-R85 PolarHBondContact O-N 3.39Å; S83-L86 WeakPolarHBondContact O-CB 3.42Å; S83-L86 PolarHBondContact O-N 3.03Å; S83-S87 PolarHBondContact O-N 2.63Å; S83-N1113 WeakPolarHBondContact CB-ND2 3.41Å; S83-N1113 PolarHBondContact OG-ND2 3.23Å |
| 84 | D | 55.8 | Low | 62.8 | Low | 112 Ų | 112 | 84.5 Ų | 84.5 | 60% | 0.599 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.3 | -13.7 | -166.9 | -55 | 5.1 | 0 | 0 | 0 | 112.1 | N82 | N82-D84 PolarHBondContact O-N 2.89Å; N82-D84 VanDerWaalsContact O-N 3.16Å |
| 85 | R | 52.7 | Low | 59.7 | Low | 133 Ų | 133 | 94.5 Ų | 94.5 | 50% | 0.502 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -99.2 | -28.2 | 173.1 | -62.7 | -179.6 | 178.9 | -176.5 | 0.4 | 112.6 | N82 S83 Q88 Y351 Y352 | N82-R85 PolarHBondContact O-N 3.23Å; S83-R85 PolarHBondContact O-N 3.39Å; R85-Q88 PolarHBondContact O-N 3.43Å; R85-Y351 WeakPolarHBondContact CD-O 3.45Å; R85-Y352 HydrophobicContact CB-CD1 4.07Å; R85-Y352 HydrophobicContact CB-CE1 4.12Å |
| 86 | L | 52.1 | Low | 56.7 | Low | 24 Ų | 24 | 99.8 Ų | 99.8 | 13% | 0.126 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.6 | -78.4 | 160.9 | 0 | 0 | 0 | 112.1 | A8 D10 I81 S83 Q88 Y352 | A8-L86 HydrophobicContact CB-CD2 4.45Å; D10-L86 HydrophobicContact CB-CB 4.06Å; D10-L86 HydrophobicContact CB-CD2 4.48Å; I81-L86 HydrophobicContact CG2-CD1 3.74Å; S83-L86 WeakPolarHBondContact O-CB 3.42Å; S83-L86 PolarHBondContact O-N 3.03Å; L86-Q88 PolarHBondContact O-N 2.9Å; L86-Q88 VanDerWaalsContact O-N 3.17Å; L86-Y352 HydrophobicContact CD2-CD1 3.72Å; L86-Y352 HydrophobicContact CD2-CD2 4.09Å; L86-Y352 HydrophobicContact CD2-CE1 4.16Å; L86-Y352 HydrophobicContact CD2-CE2 4.49Å; L86-Y352 HydrophobicContact CD2-CG 3.69Å; L86-Y352 HydrophobicContact CG-CD1 3.7Å; L86-Y352 HydrophobicContact CG-CE1 4.31Å; L86-Y352 HydrophobicContact CG-CG 4.03Å |
| 87 | S | 44.3 | Very low | 53.6 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.6 | -179.6 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | S83 K89 | S83-S87 PolarHBondContact O-N 2.63Å; S87-K89 PolarHBondContact O-N 2.75Å |
| 88 | Q | 39.1 | Very low | 50.6 | Low | 149 Ų | 149 | 110.7 Ų | 110.7 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | trans | -77.4 | 65.6 | 179.9 | -63.1 | -164.4 | 13.2 | 0 | 0 | 112.8 | R85 L86 P90 | R85-Q88 PolarHBondContact O-N 3.43Å; L86-Q88 PolarHBondContact O-N 2.9Å; L86-Q88 VanDerWaalsContact O-N 3.17Å; Q88-P90 WeakPolarHBondContact O-CD 3.32Å | ||
| 89 | K | 36.8 | Very low | 47.6 | Very low | 186 Ų | 186 | 114.7 Ų | 114.7 | 81% | 0.809 | 57% | 0.574 | S | S | * | * | trans | -55.9 | 120.2 | 155.8 | -79 | 179.2 | 177.2 | 171.3 | 0 | 107.5 | S87 D91 | S87-K89 PolarHBondContact O-N 2.75Å; K89-D91 PolarHBondContact O-N 2.99Å | ||
| 90 | P | 34 | Very low | 44.3 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | trans | -66.3 | 108.4 | -179.9 | 25.9 | -33 | 0 | 0 | 0 | 108.1 | Q88 R92 | Q88-P90 WeakPolarHBondContact O-CD 3.32Å; P90-R92 PolarHBondContact O-N 3.3Å | ||
| 91 | D | 27.5 | Very low | 41.5 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | trans | -67.3 | 84.9 | -175.7 | -168.8 | 21.3 | 0 | 0 | 0 | 109.6 | K89 K93 | K89-D91 PolarHBondContact O-N 2.99Å; D91-K93 PolarHBondContact O-N 3.08Å | ||
| 92 | R | 32.8 | Very low | 38.8 | Very low | 224 Ų | 224 | 129 Ų | 129 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | trans | -69.6 | 73.6 | -178.9 | -81.6 | -172.7 | 170.1 | -172.9 | -1.3 | 109.1 | P90 R94 | P90-R92 PolarHBondContact O-N 3.3Å; R92-R94 PolarHBondContact O-N 3.39Å | ||
| 93 | K | 30.5 | Very low | 36.6 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | trans | -49 | 99.8 | 166.4 | -79.7 | -177.8 | 175.6 | 173.6 | 0 | 108.7 | D91 K95 | D91-K93 PolarHBondContact O-N 3.08Å; K93-K95 PolarHBondContact O-N 3.42Å | ||
| 94 | R | 30.6 | Very low | 35 | Very low | 219 Ų | 219 | 136.3 Ų | 136.3 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | trans | -62.9 | 93.3 | 179.9 | -80.7 | 176.6 | 161.4 | 159.5 | -6.1 | 109.3 | R92 Q96 | R92-R94 PolarHBondContact O-N 3.39Å; R94-Q96 PolarHBondContact O-N 3.43Å | ||
| 95 | K | 30.2 | Very low | 33.8 | Very low | 211 Ų | 211 | 136 Ų | 136 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | trans | -64.7 | 76.5 | 152.2 | -83.7 | -169 | 172.3 | -175.8 | 0 | 108.2 | K93 G97 | K93-K95 PolarHBondContact O-N 3.42Å; K95-G97 PolarHBondContact O-N 3.12Å | ||
| 96 | Q | 32.7 | Very low | 32.8 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 52% | 0.519 | 74% | 0.74 | S | S | . | * | trans | -82.1 | 73.8 | 175.6 | -173.7 | 164.2 | 59 | 0 | 0 | 109 | R94 M98 R293 | R94-Q96 PolarHBondContact O-N 3.43Å; Q96-M98 HydrophobicContact CG-SD 4.23Å; Q96-R293 VanDerWaalsContact OE1-NH1 3.12Å | ||
| 97 | G | 31.6 | Very low | 31.8 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -113.8 | 96 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | K95 | K95-G97 PolarHBondContact O-N 3.12Š| ||
| 98 | M | 31.8 | Very low | 31.1 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -99.9 | 126.4 | -177 | -72.6 | 154.9 | 49.1 | 0 | 0 | 111.1 | Q96 | Q96-M98 HydrophobicContact CG-SD 4.23Š| ||
| 99 | S | 31.4 | Very low | 30.5 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -167.9 | 108.9 | 137 | 55 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | C | 24.6 | Very low | 30.3 | Very low | 139 Ų | 139 | 144 Ų | 144 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -100.8 | 140.1 | 160.6 | -60.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 101 | S | 30.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -150.1 | 138.8 | 164.2 | 56.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 102 | D | 27.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -58.8 | 160.7 | -177.2 | -57.7 | -81.2 | 0 | 0 | 0 | 112.3 | ||||
| 103 | S | 30.4 | Very low | 30.3 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | cis | -160.4 | 166.1 | 49.6 | 52.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 104 | S | 27.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -83.8 | 144.5 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 105 | S | 30.7 | Very low | 30.4 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | -176.6 | 131.4 | 124.5 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 106 | T | 32.9 | Very low | 30.5 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 58.3 | 110.6 | 141.8 | 57.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 107 | V | 29.8 | Very low | 30.4 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | 53.8 | 110.5 | 122.7 | -163.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 108 | R | 31.1 | Very low | 30.5 | Very low | 236 Ų | 236 | 134.3 Ų | 134.3 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | -172.5 | 162.3 | 107.7 | -99.8 | -164.3 | 171.3 | 149.7 | 3.6 | 113.3 | |||||
| 109 | E | 26.7 | Very low | 30.6 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -77.3 | 164.5 | 176.8 | -51.4 | 115 | 113.7 | 0 | 0 | 113.3 | ||||
| 110 | G | 30.9 | Very low | 30.7 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 170.4 | 60.1 | 175 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 111 | V | 31.9 | Very low | 31.1 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 9.4 | 119.3 | 145.6 | 179.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 112 | V | 32.5 | Very low | 31.1 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | 67.4 | 134.6 | 147.2 | 177.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 113 | A | 30.2 | Very low | 31.4 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -60.2 | 152.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 114 | R | 33.1 | Very low | 31.3 | Very low | 247 Ų | 247 | 137.2 Ų | 137.2 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | -162.6 | 168.5 | 120.7 | -111.1 | 169.6 | 178.5 | -177.3 | -1.4 | 113.7 | |||||
| 115 | T | 30.9 | Very low | 31.7 | Very low | 144 Ų | 144 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -88 | 146.1 | -172.4 | 48.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 116 | G | 32.1 | Very low | 31.7 | Very low | 80 Ų | 80 | 149.4 Ų | 149.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -154.4 | 154.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 117 | S | 31.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -149.6 | 171 | -173.7 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 118 | T | 33.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | 72.5 | 147.7 | 170.4 | 81 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 119 | Q | 32.7 | Very low | 32.3 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | cis | -168.3 | 177.3 | -17.6 | -111.1 | -170.8 | 39.8 | 0 | 0 | 110 | ||||
| 120 | H | 34.6 | Very low | 32.4 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 75.6 | 145.5 | 169.9 | -46.5 | -21.7 | 0 | 0 | 0 | 116.6 | ||||
| 121 | G | 32.3 | Very low | 32.5 | Very low | 68 Ų | 68 | 145 Ų | 145 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | 179.7 | 134.4 | -10.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 122 | S | 30.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 36.6 | 114.2 | 145.9 | -52.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 123 | R | 33.8 | Very low | 32.6 | Very low | 246 Ų | 246 | 142.6 Ų | 142.6 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | -179.3 | 155.2 | 96.3 | -100.4 | -174.9 | 176.8 | -164.2 | -0.8 | 115 | |||||
| 124 | S | 27.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -84.4 | 162.4 | -177.9 | -20.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 125 | Y | 35.7 | Very low | 32.9 | Very low | 233 Ų | 233 | 144.8 Ų | 144.8 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -149.2 | 167.3 | 133.5 | -97.4 | -66.7 | 0 | 0 | 0 | 111.6 | ||||
| 126 | R | 30.9 | Very low | 32.9 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -100.8 | 155.3 | -167 | -72 | 177.7 | 167.2 | -177.6 | -5.3 | 113.6 | ||||
| 127 | S | 33.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -91.6 | 154.7 | 150.8 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 128 | P | 41.6 | Very low | 33.2 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | -156.4 | 159.8 | 104.9 | 39 | -20.5 | 0 | 0 | 0 | 118.2 | |||||
| 129 | L | 31.1 | Very low | 33.2 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | 57.5 | 121.2 | 144.8 | -63.5 | 166.4 | 0 | 0 | 0 | 120 | ||||
| 130 | N | 29.2 | Very low | 33.2 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 81.7 | 109.5 | 63.9 | -82.1 | 0.5 | 0 | 0 | 0 | 116.4 | |||||
| 131 | V | 34 | Very low | 33.2 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 154.7 | 158.8 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | L | 35.2 | Very low | 33.6 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | trans | -62.4 | 168.6 | -170.3 | -67.6 | 63.8 | 0 | 0 | 0 | 115.9 | ||||
| 133 | G | 31.2 | Very low | 33.7 | Very low | 70 Ų | 70 | 160.8 Ų | 160.8 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | cis | 143.9 | 170.3 | -9.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 134 | R | 34.4 | Very low | 33.7 | Very low | 230 Ų | 230 | 156 Ų | 156 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | 60.1 | 125.6 | 162 | -66.2 | -178.5 | 171.6 | -175.8 | -2.6 | 121.6 | ||||
| 135 | T | 34.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | -143.4 | 168.3 | 108.3 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 136 | S | 31.5 | Very low | 34.1 | Very low | 106 Ų | 106 | 157.5 Ų | 157.5 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -163.8 | 132.4 | -171.8 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 137 | R | 38.4 | Very low | 34.2 | Very low | 261 Ų | 261 | 156.5 Ų | 156.5 | 99% | 0.985 | 81% | 0.813 | S | S | * | * | trans | -177.6 | 147.4 | 162.4 | -94.8 | 154.6 | -163.9 | -157.2 | 5.3 | 107.4 | ||||
| 138 | G | 31.2 | Very low | 34.1 | Very low | 66 Ų | 66 | 160 Ų | 160 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | cis | -176.3 | 139.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 139 | I | 32.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 159 Ų | 159 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 17 | 141.3 | 149.1 | 15.9 | 174.2 | 0 | 0 | 0 | 123.1 | ||||
| 140 | S | 32.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 159.4 Ų | 159.4 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | 59.7 | 98.4 | 144.7 | -62 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 141 | F | 36.4 | Very low | 33.5 | Very low | 182 Ų | 182 | 163.6 Ų | 163.6 | 80% | 0.798 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -144.1 | 5.9 | 156.9 | -139.7 | -96.9 | 0 | 0 | 0 | 115.8 | ||
| 142 | L | 39 | Very low | 33.4 | Very low | 181 Ų | 181 | 164.5 Ų | 164.5 | 95% | 0.948 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -125.2 | 33.8 | -173.5 | -73.6 | 174.1 | 0 | 0 | 0 | 114.1 | ||
| 143 | R | 33.9 | Very low | 33.1 | Very low | 234 Ų | 234 | 162.3 Ų | 162.3 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -134.6 | -4.7 | 173.2 | -161.6 | 170.3 | -77 | -151.6 | -0.7 | 115.1 | ||
| 144 | E | 33.8 | Very low | 33.1 | Very low | 145 Ų | 145 | 170 Ų | 170 | 68% | 0.678 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -101 | -23.4 | -174.6 | -152.8 | 57.5 | -134.2 | 0 | 0 | 114.4 | Q146 | E144-Q146 PolarHBondContact O-N 3.44Š|
| 145 | M | 35.9 | Very low | 33 | Very low | 177 Ų | 177 | 164.6 Ų | 164.6 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 18.1 | -176.7 | -81.8 | -170.6 | 161.5 | 0 | 0 | 115.5 | ||
| 146 | Q | 35.3 | Very low | 33.1 | Very low | 191 Ų | 191 | 163.3 Ų | 163.3 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 20.3 | 178.8 | -154.2 | 169.9 | -15.7 | 0 | 0 | 112.8 | E144 | E144-Q146 PolarHBondContact O-N 3.44Š|
| 147 | R | 33.4 | Very low | 33.7 | Very low | 220 Ų | 220 | 162.8 Ų | 162.8 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -122.5 | 4.4 | 180 | -99.4 | -177.6 | 170.4 | -96.3 | -4.6 | 115.7 | ||
| 148 | Q | 30.6 | Very low | 34.1 | Very low | 184 Ų | 184 | 159 Ų | 159 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -128.8 | 120.8 | 175.7 | -67.9 | -178.1 | -9.9 | 0 | 0 | 109.3 | ||
| 149 | G | 29.3 | Very low | 35.6 | Very low | 82 Ų | 82 | 161.1 Ų | 161.1 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -84.1 | 116.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 150 | I | 31.5 | Very low | 37.5 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -131.9 | 125 | 159.6 | -61.6 | -178.8 | 0 | 0 | 0 | 107.2 | L152 | I150-L152 PolarHBondContact O-N 2.95Š| ||
| 151 | Y | 27.5 | Very low | 39.7 | Very low | 237 Ų | 237 | 152.6 Ų | 152.6 | 93% | 0.929 | 76% | 0.758 | S | S | * | * | trans | -76.5 | 115.1 | 178.7 | -68.9 | -90.2 | 0 | 0 | 0 | 110.5 | ||||
| 152 | L | 31.8 | Very low | 41.8 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -124.6 | 122.3 | 159 | -73 | 176.5 | 0 | 0 | 0 | 108.1 | I150 R154 | I150-L152 PolarHBondContact O-N 2.95Å; L152-R154 PolarHBondContact O-N 2.86Å | ||
| 153 | A | 29.7 | Very low | 43.8 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 88% | 0.876 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 120.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 154 | R | 31.7 | Very low | 46.2 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -77 | 145.6 | 156.3 | -85.4 | -174.7 | 169.8 | 172.3 | -0.7 | 108.7 | L152 | L152-R154 PolarHBondContact O-N 2.86Š|
| 155 | P | 32.6 | Very low | 48.8 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 142.5 | 168.7 | 27.7 | -34.4 | 0 | 0 | 0 | 109.2 | T157 | P155-T157 PolarHBondContact O-N 3.12Š|
| 156 | V | 36.7 | Very low | 51.4 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 74% | 0.739 | 65% | 0.652 | S | S | * | * | trans | -59.7 | 109.9 | -177.3 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | H158 | V156-H158 PolarHBondContact O-N 3.31Š| ||
| 157 | T | 42.9 | Very low | 54.1 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | trans | -60.5 | 126.8 | 164.5 | 46.4 | 0 | 0 | 0 | 0 | 107.7 | P155 Q159 | P155-T157 PolarHBondContact O-N 3.12Å; T157-Q159 PolarHBondContact O-N 3.47Å | ||
| 158 | H | 47.7 | Very low | 56.9 | Low | 182 Ų | 182 | 114.7 Ų | 114.7 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | trans | -39 | 105.4 | -179.9 | -79.5 | -94.5 | 0 | 0 | 0 | 111.1 | V156 I160 | V156-H158 PolarHBondContact O-N 3.31Å; H158-I160 PolarHBondContact O-N 3.33Å; H158-I160 VanDerWaalsContact O-N 3.14Å | ||
| 159 | Q | 62.2 | Low | 59.9 | Low | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 116.6 | 173.8 | -81.4 | -179.1 | -40.4 | 0 | 0 | 107.1 | T157 N191 | T157-Q159 PolarHBondContact O-N 3.47Å; Q159-N191 PolarHBondContact NE2-OD1 3.46Å |
| 160 | I | 73.5 | Confident | 62.9 | Low | 40 Ų | 40 | 103.9 Ų | 103.9 | 21% | 0.205 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 120.7 | 174.7 | -63.3 | 166.3 | 0 | 0 | 0 | 106.4 | H158 E164 Q190 L194 | H158-I160 PolarHBondContact O-N 3.33Å; H158-I160 VanDerWaalsContact O-N 3.14Å; I160-E164 HydrophobicContact CG2-CB 3.63Å; I160-Q190 WeakPolarHBondContact O-CG 3.44Å; I160-Q190 PolarHBondContact O-NE2 2.95Å; I160-L194 HydrophobicContact CD1-CD1 3.97Å; I160-L194 HydrophobicContact CD1-CD2 4.36Å; I160-L194 HydrophobicContact CD1-CG 3.73Å |
| 161 | P | 79 | Confident | 65.8 | Low | 55 Ų | 55 | 102.1 Ų | 102.1 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 149.7 | -176.3 | 25.5 | -33.9 | 0 | 0 | 0 | 110 | S163 E164 | P161-S163 PolarHBondContact O-N 3.17Å; P161-E164 WeakPolarHBondContact CD-OE2 3.45Å; P161-E164 HydrophobicContact CG-CB 4.12Å; P161-E164 HydrophobicContact CG-CG 3.95Å; P161-E164 PolarHBondContact O-N 3.44Å |
| 162 | E | 79 | Confident | 68.9 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 41% | 0.407 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -53.2 | -32.1 | -174.3 | 173.2 | 168.5 | -177.1 | 0 | 0 | 112.8 | E164 I165 R182 V186 | E162-E164 PolarHBondContact O-N 2.93Å; E162-I165 PolarHBondContact O-N 3.37Å; E162-R182 IonicContact OE1-CZ 3.14Å; E162-R182 IonicContact OE1-NH1 2.76Å; E162-R182 PolarHBondContact OE1-NH1 3.18Å; E162-V186 HydrophobicContact CB-CG1 4.04Å; E162-V186 HydrophobicContact CG-CG1 3.61Å; E162-V186 HydrophobicContact CG-CG2 4.29Å |
| 163 | S | 82.9 | Confident | 71.7 | Confident | 98 Ų | 98 | 88.2 Ų | 88.2 | 69% | 0.685 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -67.5 | -10.4 | 176 | 59 | 0 | 0 | 0 | 0 | 116 | P161 | P161-S163 PolarHBondContact O-N 3.17Š|
| 164 | E | 84 | Confident | 74.7 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -109 | -1 | -178.7 | -75.4 | 173.7 | -162 | 0 | 0 | 113.3 | I160 P161 E162 P166 R1085 | I160-E164 HydrophobicContact CG2-CB 3.63Å; P161-E164 WeakPolarHBondContact CD-OE2 3.45Å; P161-E164 HydrophobicContact CG-CB 4.12Å; P161-E164 HydrophobicContact CG-CG 3.95Å; P161-E164 PolarHBondContact O-N 3.44Å; E162-E164 PolarHBondContact O-N 2.93Å; E164-P166 WeakPolarHBondContact O-CD 3.48Å; E164-R1085 IonicContact OE1-CZ 2.74Å; E164-R1085 IonicContact OE1-NH1 2.71Å; E164-R1085 PolarHBondContact OE1-NH1 2.74Å; E164-R1085 IonicContact OE1-NH2 3.2Å; E164-R1085 PolarHBondContact OE1-NH2 2.82Å |
| 165 | I | 88.1 | Confident | 77.4 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.041 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -75.5 | 118.6 | 169 | -51.1 | 179.3 | 0 | 0 | 0 | 107.8 | E162 E167 I170 V186 L189 Q190 L194 | E162-I165 PolarHBondContact O-N 3.37Å; I165-E167 PolarHBondContact O-N 2.94Å; I165-I170 HydrophobicContact CB-CD1 4.31Å; I165-I170 HydrophobicContact CG2-CD1 3.87Å; I165-I170 HydrophobicContact CG2-CG1 3.69Å; I165-V186 HydrophobicContact CD1-CB 4.13Å; I165-V186 HydrophobicContact CD1-CG1 3.74Å; I165-V186 HydrophobicContact CD1-CG2 4.21Å; I165-V186 WeakPolarHBondContact CD1-O 3.13Å; I165-L189 HydrophobicContact CD1-CB 4.38Å; I165-L189 HydrophobicContact CG2-CB 4.27Å; I165-L189 HydrophobicContact CG2-CD1 3.88Å; I165-Q190 HydrophobicContact CD1-CG 3.64Å; I165-Q190 HydrophobicContact CG1-CG 4.42Å; I165-L194 HydrophobicContact CB-CD2 4.27Å; I165-L194 HydrophobicContact CG1-CD2 4.1Å; I165-L194 HydrophobicContact CG2-CD2 3.88Å |
| 166 | P | 89.6 | Confident | 80.2 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | trans | -65.1 | 127.2 | 176.9 | -18.7 | 31.9 | 0 | 0 | 0 | 110.1 | E164 V168 L169 | E164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-V168 PolarHBondContact O-N 2.7Å; P166-L169 HydrophobicContact CB-CG 4.38Å; P166-L169 HydrophobicContact CG-CD1 4.29Å; P166-L169 HydrophobicContact CG-CG 4.47Å; P166-L169 PolarHBondContact O-N 3.44Å | ||
| 167 | E | 92.2 | Very high | 82.6 | Confident | 88 Ų | 88 | 73.7 Ų | 73.7 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.1 | -28.4 | -177 | -155.5 | 72.2 | -155.2 | 0 | 0 | 112.1 | I165 L169 I170 E171 R182 | I165-E167 PolarHBondContact O-N 2.94Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.33Å; E167-I170 CarbonylContact O-C 3.57Å; E167-I170 WeakPolarHBondContact O-CA 3.45Å; E167-I170 WeakPolarHBondContact O-CB 3.36Å; E167-I170 PolarHBondContact O-N 2.8Å; E167-E171 PolarHBondContact O-N 3.44Å; E167-R182 IonicContact OE1-CZ 3.62Å; E167-R182 IonicContact OE1-NE 2.67Å; E167-R182 PolarHBondContact OE1-NE 3.13Å; E167-R182 IonicContact OE1-NH2 3.17Å; E167-R182 PolarHBondContact OE1-NH2 3.39Å; E167-R182 IonicContact OE2-CZ 2.7Å; E167-R182 IonicContact OE2-NE 3.42Å; E167-R182 IonicContact OE2-NH2 2.72Å; E167-R182 PolarHBondContact OE2-NH2 3.18Å |
| 168 | V | 93.3 | Very high | 84.1 | Confident | 102 Ų | 102 | 77.7 Ų | 77.7 | 62% | 0.618 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.3 | -36.3 | 173.5 | -177 | 0 | 0 | 0 | 0 | 112.9 | P166 E172 | P166-V168 PolarHBondContact O-N 2.7Å; V168-E172 WeakPolarHBondContact O-CB 3.47Å; V168-E172 PolarHBondContact O-N 2.88Å |
| 169 | L | 92.2 | Very high | 85.6 | Confident | 39 Ų | 39 | 73 Ų | 73 | 20% | 0.204 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -75.1 | -31.7 | 176.4 | -56.4 | -173.8 | 0 | 0 | 0 | 111.5 | P166 E167 C173 L189 L194 V196 | P166-L169 HydrophobicContact CB-CG 4.38Å; P166-L169 HydrophobicContact CG-CD1 4.29Å; P166-L169 HydrophobicContact CG-CG 4.47Å; P166-L169 PolarHBondContact O-N 3.44Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.33Å; L169-C173 WeakPolarHBondContact O-CB 3.34Å; L169-C173 PolarHBondContact O-N 3Å; L169-C173 PolarHBondContact O-SG 3.1Å; L169-C173 VanDerWaalsContact O-SG 3.42Å; L169-L189 HydrophobicContact CB-CD1 4.23Å; L169-L194 HydrophobicContact CD1-CB 3.89Å; L169-L194 HydrophobicContact CD1-CD1 4.43Å; L169-L194 HydrophobicContact CD1-CD2 4.38Å; L169-L194 HydrophobicContact CD1-CG 4.46Å; L169-V196 HydrophobicContact CB-CG2 3.94Å; L169-V196 HydrophobicContact CD2-CG2 3.92Å; L169-V196 HydrophobicContact CG-CG2 4.33Å |
| 170 | I | 93.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 173.6 | -57.5 | 176.5 | 0 | 0 | 0 | 109.4 | I165 E167 C173 Q174 R182 I185 V186 L189 | I165-I170 HydrophobicContact CB-CD1 4.31Å; I165-I170 HydrophobicContact CG2-CD1 3.87Å; I165-I170 HydrophobicContact CG2-CG1 3.69Å; E167-I170 CarbonylContact O-C 3.57Å; E167-I170 WeakPolarHBondContact O-CA 3.45Å; E167-I170 WeakPolarHBondContact O-CB 3.36Å; E167-I170 PolarHBondContact O-N 2.8Å; I170-C173 PolarHBondContact O-N 3.43Å; I170-Q174 WeakPolarHBondContact O-CB 3.39Å; I170-Q174 VanDerWaalsContact O-CG 3.27Å; I170-Q174 WeakPolarHBondContact O-CG 3.47Å; I170-Q174 PolarHBondContact O-N 2.94Å; I170-R182 HydrophobicContact CG2-CG 3.91Å; I170-I185 HydrophobicContact CB-CG2 4.5Å; I170-I185 HydrophobicContact CG2-CG2 4.06Å; I170-V186 HydrophobicContact CD1-CG2 3.71Å; I170-V186 HydrophobicContact CG1-CG2 4.43Å; I170-L189 HydrophobicContact CG1-CD1 3.97Å |
| 171 | E | 92.6 | Very high | 87.6 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 172.7 | -71.8 | -172.3 | 162.3 | 0 | 0 | 111.7 | E167 C173 Q174 T175 | E167-E171 PolarHBondContact O-N 3.44Å; E171-C173 PolarHBondContact O-N 3.45Å; E171-Q174 CarbonylContact O-C 3.59Å; E171-Q174 PolarHBondContact O-N 3.29Å; E171-Q174 VanDerWaalsContact O-N 3.08Å; E171-T175 WeakPolarHBondContact O-CG2 3.29Å; E171-T175 PolarHBondContact O-N 3.35Å |
| 172 | E | 91 | Very high | 88.3 | Confident | 104 Ų | 104 | 72.8 Ų | 72.8 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 177 | -167.4 | 171.6 | -155.1 | 0 | 0 | 110.9 | V168 T175 V196 | V168-E172 WeakPolarHBondContact O-CB 3.47Å; V168-E172 PolarHBondContact O-N 2.88Å; E172-T175 PolarHBondContact O-N 2.72Å; E172-T175 PolarHBondContact O-OG1 2.98Å; E172-V196 HydrophobicContact CG-CG1 4.08Å |
| 173 | C | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 170.3 | -75.5 | 0 | 0 | 0 | 0 | 113 | L169 I170 E171 T175 V176 L177 I185 V200 | L169-C173 WeakPolarHBondContact O-CB 3.34Å; L169-C173 PolarHBondContact O-N 3Å; L169-C173 PolarHBondContact O-SG 3.1Å; L169-C173 VanDerWaalsContact O-SG 3.42Å; I170-C173 PolarHBondContact O-N 3.43Å; E171-C173 PolarHBondContact O-N 3.45Å; C173-T175 VanDerWaalsContact C-N 3.32Å; C173-T175 PolarHBondContact O-N 3.35Å; C173-V176 PolarHBondContact O-N 2.92Å; C173-L177 HydrophobicContact CB-CD1 4.34Å; C173-L177 VanDerWaalsContact O-CB 3.32Å; C173-L177 WeakPolarHBondContact O-CB 3.48Å; C173-L177 WeakPolarHBondContact O-CG 3.4Å; C173-L177 PolarHBondContact O-N 2.87Å; C173-I185 HydrophobicContact CB-CD1 4.27Å; C173-I185 HydrophobicContact CB-CG1 4.43Å; C173-I185 HydrophobicContact CB-CG2 3.45Å; C173-I185 VanDerWaalsContact CB-CG2 3.45Å; C173-V200 HydrophobicContact CB-CG2 4.4Å |
| 174 | Q | 91.1 | Very high | 89.3 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -31 | -179.3 | -77.4 | 177.3 | 14.6 | 0 | 0 | 113.4 | I170 E171 V176 I185 | I170-Q174 WeakPolarHBondContact O-CB 3.39Å; I170-Q174 VanDerWaalsContact O-CG 3.27Å; I170-Q174 WeakPolarHBondContact O-CG 3.47Å; I170-Q174 PolarHBondContact O-N 2.94Å; E171-Q174 CarbonylContact O-C 3.59Å; E171-Q174 PolarHBondContact O-N 3.29Å; E171-Q174 VanDerWaalsContact O-N 3.08Å; Q174-V176 PolarHBondContact O-N 2.94Å; Q174-I185 HydrophobicContact CB-CD1 4.37Å; Q174-I185 HydrophobicContact CG-CD1 3.46Å; Q174-I185 VanDerWaalsContact CG-CD1 3.46Å |
| 175 | T | 90 | Very high | 89.8 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.6 | -27.4 | 176.6 | 60.6 | 0 | 0 | 0 | 0 | 113 | E171 E172 C173 | E171-T175 WeakPolarHBondContact O-CG2 3.29Å; E171-T175 PolarHBondContact O-N 3.35Å; E172-T175 PolarHBondContact O-N 2.72Å; E172-T175 PolarHBondContact O-OG1 2.98Å; C173-T175 VanDerWaalsContact C-N 3.32Å; C173-T175 PolarHBondContact O-N 3.35Å |
| 176 | V | 89.8 | Confident | 90.1 | Very high | 84 Ų | 84 | 67.1 Ų | 67.1 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -92.3 | -40 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | C173 Q174 Q178 V200 | C173-V176 PolarHBondContact O-N 2.92Å; Q174-V176 PolarHBondContact O-N 2.94Å; V176-Q178 PolarHBondContact O-N 3.3Å; V176-V200 HydrophobicContact CB-CG1 4.37Å; V176-V200 HydrophobicContact CG1-CG1 3.78Å |
| 177 | L | 86.8 | Confident | 90.2 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -97.8 | 62.7 | -173.9 | -63.2 | 169 | 0 | 0 | 0 | 112.5 | C173 G179 K180 I185 V200 L203 L204 | C173-L177 HydrophobicContact CB-CD1 4.34Å; C173-L177 VanDerWaalsContact O-CB 3.32Å; C173-L177 WeakPolarHBondContact O-CB 3.48Å; C173-L177 WeakPolarHBondContact O-CG 3.4Å; C173-L177 PolarHBondContact O-N 2.87Å; L177-G179 PolarHBondContact O-N 3.33Å; L177-K180 HydrophobicContact CB-CB 4.22Å; L177-K180 HydrophobicContact CB-CG 3.96Å; L177-K180 HydrophobicContact CD2-CG 4.37Å; L177-K180 PolarHBondContact O-N 3.33Å; L177-I185 HydrophobicContact CB-CD1 4.47Å; L177-I185 HydrophobicContact CD1-CD1 4.35Å; L177-I185 HydrophobicContact CD1-CG1 4.17Å; L177-V200 HydrophobicContact CD1-CG2 4.12Å; L177-V200 HydrophobicContact CD2-CG1 4.46Å; L177-V200 HydrophobicContact CG-CG2 4.36Å; L177-L203 HydrophobicContact CD1-CB 3.73Å; L177-L203 HydrophobicContact CD1-CD1 3.48Å; L177-L203 VanDerWaalsContact CD1-CD1 3.48Å; L177-L203 HydrophobicContact CD1-CG 4.22Å; L177-L203 HydrophobicContact CD2-CB 3.86Å; L177-L203 HydrophobicContact CG-CB 4.47Å; L177-L204 HydrophobicContact CD2-CD2 3.74Å; L177-L204 HydrophobicContact CD2-CG 3.78Å |
| 178 | Q | 76.1 | Confident | 90.2 | Very high | 180 Ų | 180 | 67.2 Ų | 67.2 | 84% | 0.841 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 104.2 | 178.1 | -66.1 | -173.8 | 21.6 | 0 | 0 | 111.2 | V176 | V176-Q178 PolarHBondContact O-N 3.3Š|
| 179 | G | 79.1 | Confident | 90.3 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 85% | 0.845 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.4 | -25 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L177 | L177-G179 PolarHBondContact O-N 3.33Š|
| 180 | K | 84.6 | Confident | 90.4 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -73.5 | 137.7 | 178.8 | -57.3 | -65 | 178.4 | -175.9 | 0 | 110.7 | L177 I185 R206 D207 | L177-K180 HydrophobicContact CB-CB 4.22Å; L177-K180 HydrophobicContact CB-CG 3.96Å; L177-K180 HydrophobicContact CD2-CG 4.37Å; L177-K180 PolarHBondContact O-N 3.33Å; K180-I185 HydrophobicContact CB-CD1 4.23Å; K180-I185 HydrophobicContact CB-CG1 4.22Å; K180-R206 PolarHBondContact NZ-O 2.95Å; K180-D207 WeakPolarHBondContact CE-OD1 3.4Å; K180-D207 IonicContact NZ-OD1 3.85Å; K180-D207 PolarHBondContact NZ-OD1 3.29Å; K180-D207 IonicContact NZ-OD2 3.47Å | ||
| 181 | S | 91.7 | Very high | 90.2 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | trans | -71.3 | 152.6 | -178.8 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | Q183 V184 I185 | S181-Q183 VanDerWaalsContact C-N 3.27Å; S181-Q183 PolarHBondContact O-N 3.35Å; S181-V184 PolarHBondContact O-N 3.29Å; S181-V184 WeakPolarHBondContact OG-CG2 3.46Å; S181-V184 PolarHBondContact OG-N 2.94Å; S181-I185 PolarHBondContact O-N 3.08Å; S181-I185 VanDerWaalsContact O-N 3.12Å | ||
| 182 | R | 93.4 | Very high | 90.2 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 33% | 0.328 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.5 | -42.5 | 179.1 | -175.1 | -179.8 | 175.4 | -74.6 | -1.2 | 112 | E162 E167 I170 V184 I185 V186 | E162-R182 IonicContact OE1-CZ 3.14Å; E162-R182 IonicContact OE1-NH1 2.76Å; E162-R182 PolarHBondContact OE1-NH1 3.18Å; E167-R182 IonicContact OE1-CZ 3.62Å; E167-R182 IonicContact OE1-NE 2.67Å; E167-R182 PolarHBondContact OE1-NE 3.13Å; E167-R182 IonicContact OE1-NH2 3.17Å; E167-R182 PolarHBondContact OE1-NH2 3.39Å; E167-R182 IonicContact OE2-CZ 2.7Å; E167-R182 IonicContact OE2-NE 3.42Å; E167-R182 IonicContact OE2-NH2 2.72Å; E167-R182 PolarHBondContact OE2-NH2 3.18Å; I170-R182 HydrophobicContact CG2-CG 3.91Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 3.28Å; R182-I185 PolarHBondContact O-N 3.39Å; R182-V186 HydrophobicContact CG-CG2 4.32Å; R182-V186 WeakPolarHBondContact O-CB 3.44Å; R182-V186 VanDerWaalsContact O-CG2 3.29Å; R182-V186 WeakPolarHBondContact O-CG2 3.11Å; R182-V186 PolarHBondContact O-N 3.49Å |
| 183 | Q | 92.5 | Very high | 90.2 | Very high | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.523 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 178.9 | -67.7 | 177.2 | -8.6 | 0 | 0 | 113 | S181 R187 | S181-Q183 VanDerWaalsContact C-N 3.27Å; S181-Q183 PolarHBondContact O-N 3.35Å; Q183-R187 WeakPolarHBondContact O-CG 3.2Å; Q183-R187 PolarHBondContact O-N 3.01Å |
| 184 | V | 91.8 | Very high | 90.2 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 30% | 0.297 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 176.6 | 167 | 0 | 0 | 0 | 0 | 110.6 | S181 R182 R187 E188 L203 | S181-V184 PolarHBondContact O-N 3.29Å; S181-V184 WeakPolarHBondContact OG-CG2 3.46Å; S181-V184 PolarHBondContact OG-N 2.94Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 3.28Å; V184-R187 PolarHBondContact O-N 2.96Å; V184-E188 PolarHBondContact O-N 3.11Å; V184-L203 HydrophobicContact CG1-CD1 4.37Å; V184-L203 HydrophobicContact CG1-CD2 3.43Å; V184-L203 VanDerWaalsContact CG1-CD2 3.43Å |
| 185 | I | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.3 | -69.5 | 171.8 | 0 | 0 | 0 | 111.3 | I170 C173 Q174 L177 K180 S181 R182 E188 L189 L203 | I170-I185 HydrophobicContact CB-CG2 4.5Å; I170-I185 HydrophobicContact CG2-CG2 4.06Å; C173-I185 HydrophobicContact CB-CD1 4.27Å; C173-I185 HydrophobicContact CB-CG1 4.43Å; C173-I185 HydrophobicContact CB-CG2 3.45Å; C173-I185 VanDerWaalsContact CB-CG2 3.45Å; Q174-I185 HydrophobicContact CB-CD1 4.37Å; Q174-I185 HydrophobicContact CG-CD1 3.46Å; Q174-I185 VanDerWaalsContact CG-CD1 3.46Å; L177-I185 HydrophobicContact CB-CD1 4.47Å; L177-I185 HydrophobicContact CD1-CD1 4.35Å; L177-I185 HydrophobicContact CD1-CG1 4.17Å; K180-I185 HydrophobicContact CB-CD1 4.23Å; K180-I185 HydrophobicContact CB-CG1 4.22Å; S181-I185 PolarHBondContact O-N 3.08Å; S181-I185 VanDerWaalsContact O-N 3.12Å; R182-I185 PolarHBondContact O-N 3.39Å; I185-E188 PolarHBondContact O-N 3.03Å; I185-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 WeakPolarHBondContact O-CB 3.07Å; I185-L189 WeakPolarHBondContact O-CG 3.3Å; I185-L189 PolarHBondContact O-N 2.85Å; I185-L203 HydrophobicContact CG1-CD1 3.98Å |
| 186 | V | 93.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55 | -57.7 | 173 | 156.5 | 0 | 0 | 0 | 0 | 111 | E162 I165 I170 R182 E188 L189 Q190 | E162-V186 HydrophobicContact CB-CG1 4.04Å; E162-V186 HydrophobicContact CG-CG1 3.61Å; E162-V186 HydrophobicContact CG-CG2 4.29Å; I165-V186 HydrophobicContact CD1-CB 4.13Å; I165-V186 HydrophobicContact CD1-CG1 3.74Å; I165-V186 HydrophobicContact CD1-CG2 4.21Å; I165-V186 WeakPolarHBondContact CD1-O 3.13Å; I170-V186 HydrophobicContact CD1-CG2 3.71Å; I170-V186 HydrophobicContact CG1-CG2 4.43Å; R182-V186 HydrophobicContact CG-CG2 4.32Å; R182-V186 WeakPolarHBondContact O-CB 3.44Å; R182-V186 VanDerWaalsContact O-CG2 3.29Å; R182-V186 WeakPolarHBondContact O-CG2 3.11Å; R182-V186 PolarHBondContact O-N 3.49Å; V186-E188 VanDerWaalsContact C-N 3.26Å; V186-E188 PolarHBondContact O-N 3.2Å; V186-L189 PolarHBondContact O-N 2.74Å; V186-L189 VanDerWaalsContact O-N 3.12Å; V186-Q190 WeakPolarHBondContact O-CG 3.45Å; V186-Q190 PolarHBondContact O-N 3.26Å |
| 187 | R | 92.7 | Very high | 90.5 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | -177.4 | -71.6 | 177.1 | -159 | 133.5 | 6 | 111.8 | Q183 V184 Q190 N191 | Q183-R187 WeakPolarHBondContact O-CG 3.2Å; Q183-R187 PolarHBondContact O-N 3.01Å; V184-R187 PolarHBondContact O-N 2.96Å; R187-Q190 WeakPolarHBondContact O-CB 3.28Å; R187-Q190 PolarHBondContact O-N 2.6Å; R187-N191 PolarHBondContact O-N 3.39Å; R187-N191 PolarHBondContact O-ND2 3.24Å |
| 188 | E | 92.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 177.8 | -155.5 | 64 | -137.7 | 0 | 0 | 111.8 | V184 I185 V186 Q190 N191 T192 A199 N202 L203 | V184-E188 PolarHBondContact O-N 3.11Å; I185-E188 PolarHBondContact O-N 3.03Å; V186-E188 VanDerWaalsContact C-N 3.26Å; V186-E188 PolarHBondContact O-N 3.2Å; E188-Q190 VanDerWaalsContact C-N 3.28Å; E188-Q190 PolarHBondContact O-N 3.14Å; E188-N191 CarbonylContact O-C 3.57Å; E188-N191 PolarHBondContact O-N 3.33Å; E188-N191 VanDerWaalsContact O-N 3.11Å; E188-T192 HydrophobicContact CG-CG2 4.36Å; E188-T192 WeakPolarHBondContact O-CG2 3.08Å; E188-T192 PolarHBondContact O-N 3.46Å; E188-T192 PolarHBondContact O-OG1 2.58Å; E188-A199 HydrophobicContact CB-CB 4.22Å; E188-A199 HydrophobicContact CG-CB 3.94Å; E188-N202 HydrophobicContact CG-CB 3.9Å; E188-N202 WeakPolarHBondContact OE1-CB 3.49Å; E188-N202 PolarHBondContact OE1-ND2 2.97Å; E188-L203 HydrophobicContact CB-CD1 3.93Å; E188-L203 HydrophobicContact CB-CD2 4.33Å; E188-L203 HydrophobicContact CB-CG 4.16Å; E188-L203 HydrophobicContact CG-CD1 4.28Å; E188-L203 HydrophobicContact CG-CD2 4.36Å; E188-L203 HydrophobicContact CG-CG 4.04Å |
| 189 | L | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -31.5 | 173 | -75.7 | 169.5 | 0 | 0 | 0 | 113 | I165 L169 I170 I185 V186 N193 L194 V196 A199 | I165-L189 HydrophobicContact CD1-CB 4.38Å; I165-L189 HydrophobicContact CG2-CB 4.27Å; I165-L189 HydrophobicContact CG2-CD1 3.88Å; L169-L189 HydrophobicContact CB-CD1 4.23Å; I170-L189 HydrophobicContact CG1-CD1 3.97Å; I185-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 WeakPolarHBondContact O-CB 3.07Å; I185-L189 WeakPolarHBondContact O-CG 3.3Å; I185-L189 PolarHBondContact O-N 2.85Å; V186-L189 PolarHBondContact O-N 2.74Å; V186-L189 VanDerWaalsContact O-N 3.12Å; L189-N193 PolarHBondContact O-N 2.81Å; L189-L194 HydrophobicContact CB-CD2 4.33Å; L189-L194 PolarHBondContact O-N 2.96Å; L189-V196 HydrophobicContact CD2-CG2 4.04Å; L189-A199 HydrophobicContact CD2-CB 3.95Å; L189-A199 HydrophobicContact CG-CB 4.27Å |
| 190 | Q | 93.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 170.1 | -62.1 | 175.9 | -64.8 | 0 | 0 | 110.8 | I160 I165 V186 R187 E188 T192 N193 | I160-Q190 WeakPolarHBondContact O-CG 3.44Å; I160-Q190 PolarHBondContact O-NE2 2.95Å; I165-Q190 HydrophobicContact CD1-CG 3.64Å; I165-Q190 HydrophobicContact CG1-CG 4.42Å; V186-Q190 WeakPolarHBondContact O-CG 3.45Å; V186-Q190 PolarHBondContact O-N 3.26Å; R187-Q190 WeakPolarHBondContact O-CB 3.28Å; R187-Q190 PolarHBondContact O-N 2.6Å; E188-Q190 VanDerWaalsContact C-N 3.28Å; E188-Q190 PolarHBondContact O-N 3.14Å; Q190-T192 VanDerWaalsContact C-N 3.32Å; Q190-T192 PolarHBondContact O-N 2.97Å; Q190-N193 PolarHBondContact O-N 2.88Å |
| 191 | N | 89.9 | Confident | 92.6 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 179.5 | -67 | -22.6 | 0 | 0 | 0 | 112.4 | Q159 R187 E188 N193 | Q159-N191 PolarHBondContact NE2-OD1 3.46Å; R187-N191 PolarHBondContact O-N 3.39Å; R187-N191 PolarHBondContact O-ND2 3.24Å; E188-N191 CarbonylContact O-C 3.57Å; E188-N191 PolarHBondContact O-N 3.33Å; E188-N191 VanDerWaalsContact O-N 3.11Å; N191-N193 PolarHBondContact O-ND2 3.27Å |
| 192 | T | 92.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.1 | 179.7 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | E188 Q190 L194 D195 M198 A199 | E188-T192 HydrophobicContact CG-CG2 4.36Å; E188-T192 WeakPolarHBondContact O-CG2 3.08Å; E188-T192 PolarHBondContact O-N 3.46Å; E188-T192 PolarHBondContact O-OG1 2.58Å; Q190-T192 VanDerWaalsContact C-N 3.32Å; Q190-T192 PolarHBondContact O-N 2.97Å; T192-L194 VanDerWaalsContact C-N 3.33Å; T192-L194 PolarHBondContact O-N 3.12Å; T192-D195 PolarHBondContact O-N 3.18Å; T192-D195 PolarHBondContact OG1-N 3.41Å; T192-D195 PolarHBondContact OG1-O 2.93Å; T192-M198 HydrophobicContact CG2-CB 3.89Å; T192-M198 HydrophobicContact CG2-CE 3.84Å; T192-M198 HydrophobicContact CG2-CG 3.8Å; T192-A199 HydrophobicContact CG2-CB 4.11Å |
| 193 | N | 91.6 | Very high | 92.5 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 48 | -177.6 | -69.6 | -115.6 | 0 | 0 | 0 | 111.9 | L189 Q190 N191 D195 | L189-N193 PolarHBondContact O-N 2.81Å; Q190-N193 PolarHBondContact O-N 2.88Å; N191-N193 PolarHBondContact O-ND2 3.27Å; N193-D195 VanDerWaalsContact C-N 3.27Å; N193-D195 PolarHBondContact O-N 3.46Å |
| 194 | L | 92 | Very high | 92.1 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 14.8 | -178.5 | -50.4 | 179.9 | 0 | 0 | 0 | 115.7 | I160 I165 L169 L189 T192 V196 | I160-L194 HydrophobicContact CD1-CD1 3.97Å; I160-L194 HydrophobicContact CD1-CD2 4.36Å; I160-L194 HydrophobicContact CD1-CG 3.73Å; I165-L194 HydrophobicContact CB-CD2 4.27Å; I165-L194 HydrophobicContact CG1-CD2 4.1Å; I165-L194 HydrophobicContact CG2-CD2 3.88Å; L169-L194 HydrophobicContact CD1-CB 3.89Å; L169-L194 HydrophobicContact CD1-CD1 4.43Å; L169-L194 HydrophobicContact CD1-CD2 4.38Å; L169-L194 HydrophobicContact CD1-CG 4.46Å; L189-L194 HydrophobicContact CB-CD2 4.33Å; L189-L194 PolarHBondContact O-N 2.96Å; T192-L194 VanDerWaalsContact C-N 3.33Å; T192-L194 PolarHBondContact O-N 3.12Å; L194-V196 PolarHBondContact O-N 3.37Å; L194-V196 VanDerWaalsContact O-N 3.14Å |
| 195 | D | 92.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | trans | -76.7 | 99.7 | 168.6 | -166.7 | -41.2 | 0 | 0 | 0 | 110.3 | T192 N193 N197 M198 A199 | T192-D195 PolarHBondContact O-N 3.18Å; T192-D195 PolarHBondContact OG1-N 3.41Å; T192-D195 PolarHBondContact OG1-O 2.93Å; N193-D195 VanDerWaalsContact C-N 3.27Å; N193-D195 PolarHBondContact O-N 3.46Å; D195-N197 VanDerWaalsContact C-N 3.31Å; D195-N197 PolarHBondContact O-N 2.92Å; D195-N197 WeakPolarHBondContact OD1-CA 3.47Å; D195-N197 WeakPolarHBondContact OD1-CB 3.47Å; D195-N197 PolarHBondContact OD1-N 3.16Å; D195-M198 HydrophobicContact CB-CB 3.98Å; D195-M198 PolarHBondContact O-N 2.89Å; D195-M198 PolarHBondContact OD1-N 3.34Å; D195-A199 WeakPolarHBondContact O-CB 3.36Å; D195-A199 PolarHBondContact O-N 2.71Å | ||
| 196 | V | 93.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.3 | -40.2 | 175.9 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | L169 E172 L189 L194 A199 V200 | L169-V196 HydrophobicContact CB-CG2 3.94Å; L169-V196 HydrophobicContact CD2-CG2 3.92Å; L169-V196 HydrophobicContact CG-CG2 4.33Å; E172-V196 HydrophobicContact CG-CG1 4.08Å; L189-V196 HydrophobicContact CD2-CG2 4.04Å; L194-V196 PolarHBondContact O-N 3.37Å; L194-V196 VanDerWaalsContact O-N 3.14Å; V196-A199 PolarHBondContact O-N 3.1Å; V196-V200 HydrophobicContact CG1-CG2 4.24Å; V196-V200 VanDerWaalsContact O-CB 3.32Å; V196-V200 WeakPolarHBondContact O-CB 3.44Å; V196-V200 VanDerWaalsContact O-CG2 3.24Å; V196-V200 WeakPolarHBondContact O-CG2 3.2Å; V196-V200 PolarHBondContact O-N 3.23Å |
| 197 | N | 91.9 | Very high | 88.5 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | -179.3 | -72 | -74.6 | 0 | 0 | 0 | 110.7 | D195 N201 | D195-N197 VanDerWaalsContact C-N 3.31Å; D195-N197 PolarHBondContact O-N 2.92Å; D195-N197 WeakPolarHBondContact OD1-CA 3.47Å; D195-N197 WeakPolarHBondContact OD1-CB 3.47Å; D195-N197 PolarHBondContact OD1-N 3.16Å; N197-N201 WeakPolarHBondContact O-CB 3.44Å; N197-N201 PolarHBondContact O-N 3.41Å; N197-N201 PolarHBondContact O-ND2 3.43Å |
| 198 | M | 91.3 | Very high | 86.5 | Confident | 91 Ų | 91 | 65 Ų | 65 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 175.9 | -165.1 | 159.9 | 65.9 | 0 | 0 | 111.1 | T192 D195 N201 N202 | T192-M198 HydrophobicContact CG2-CB 3.89Å; T192-M198 HydrophobicContact CG2-CE 3.84Å; T192-M198 HydrophobicContact CG2-CG 3.8Å; D195-M198 HydrophobicContact CB-CB 3.98Å; D195-M198 PolarHBondContact O-N 2.89Å; D195-M198 PolarHBondContact OD1-N 3.34Å; M198-N201 PolarHBondContact O-N 3.32Å; M198-N202 WeakPolarHBondContact O-CB 3.5Å; M198-N202 PolarHBondContact O-N 3.4Å; M198-N202 PolarHBondContact O-OD1 3.27Å |
| 199 | A | 93.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | E188 L189 T192 D195 V196 N201 N202 L203 | E188-A199 HydrophobicContact CB-CB 4.22Å; E188-A199 HydrophobicContact CG-CB 3.94Å; L189-A199 HydrophobicContact CD2-CB 3.95Å; L189-A199 HydrophobicContact CG-CB 4.27Å; T192-A199 HydrophobicContact CG2-CB 4.11Å; D195-A199 WeakPolarHBondContact O-CB 3.36Å; D195-A199 PolarHBondContact O-N 2.71Å; V196-A199 PolarHBondContact O-N 3.1Å; A199-N201 PolarHBondContact O-N 2.89Å; A199-N202 PolarHBondContact O-N 3.38Å; A199-L203 WeakPolarHBondContact O-CB 3.46Å; A199-L203 WeakPolarHBondContact O-CG 3.3Å; A199-L203 PolarHBondContact O-N 3.39Å |
| 200 | V | 94.4 | Very high | 82 | Confident | 16 Ų | 16 | 78 Ų | 78 | 10% | 0.097 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | C173 V176 L177 V196 L203 L204 | C173-V200 HydrophobicContact CB-CG2 4.4Å; V176-V200 HydrophobicContact CB-CG1 4.37Å; V176-V200 HydrophobicContact CG1-CG1 3.78Å; L177-V200 HydrophobicContact CD1-CG2 4.12Å; L177-V200 HydrophobicContact CD2-CG1 4.46Å; L177-V200 HydrophobicContact CG-CG2 4.36Å; V196-V200 HydrophobicContact CG1-CG2 4.24Å; V196-V200 VanDerWaalsContact O-CB 3.32Å; V196-V200 WeakPolarHBondContact O-CB 3.44Å; V196-V200 VanDerWaalsContact O-CG2 3.24Å; V196-V200 WeakPolarHBondContact O-CG2 3.2Å; V196-V200 PolarHBondContact O-N 3.23Å; V200-L203 PolarHBondContact O-N 3Å; V200-L204 HydrophobicContact CG1-CD1 3.66Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 WeakPolarHBondContact O-CB 3.41Å; V200-L204 VanDerWaalsContact O-CG 3.31Å; V200-L204 WeakPolarHBondContact O-CG 3.35Å; V200-L204 PolarHBondContact O-N 3.5Å |
| 201 | N | 90.6 | Very high | 79.4 | Confident | 100 Ų | 100 | 85.9 Ų | 85.9 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 174.8 | -79.1 | -64 | 0 | 0 | 0 | 112.5 | N197 M198 A199 L203 S205 | N197-N201 WeakPolarHBondContact O-CB 3.44Å; N197-N201 PolarHBondContact O-N 3.41Å; N197-N201 PolarHBondContact O-ND2 3.43Å; M198-N201 PolarHBondContact O-N 3.32Å; A199-N201 PolarHBondContact O-N 2.89Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 2.94Å; N201-S205 WeakPolarHBondContact O-CB 3.28Å; N201-S205 PolarHBondContact O-N 3.43Å; N201-S205 PolarHBondContact O-OG 2.95Å |
| 202 | N | 92.8 | Very high | 77.1 | Confident | 57 Ų | 57 | 91.3 Ų | 91.3 | 31% | 0.305 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.8 | -26.6 | 176.6 | -71.9 | 2.2 | 0 | 0 | 0 | 112.9 | E188 M198 A199 S205 R206 | E188-N202 HydrophobicContact CG-CB 3.9Å; E188-N202 WeakPolarHBondContact OE1-CB 3.49Å; E188-N202 PolarHBondContact OE1-ND2 2.97Å; M198-N202 WeakPolarHBondContact O-CB 3.5Å; M198-N202 PolarHBondContact O-N 3.4Å; M198-N202 PolarHBondContact O-OD1 3.27Å; A199-N202 PolarHBondContact O-N 3.38Å; N202-S205 PolarHBondContact O-OG 2.97Å; N202-R206 VanDerWaalsContact O-CD 3.27Å; N202-R206 WeakPolarHBondContact O-CD 3.39Å; N202-R206 WeakPolarHBondContact O-CG 3.48Å |
| 203 | L | 91.1 | Very high | 74.4 | Confident | 4 Ų | 4 | 94.3 Ų | 94.3 | 2% | 0.021 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -91.5 | -32.3 | 179.1 | -67.3 | 173.7 | 0 | 0 | 0 | 113.5 | L177 V184 I185 E188 A199 V200 N201 S205 R206 | L177-L203 HydrophobicContact CD1-CB 3.73Å; L177-L203 HydrophobicContact CD1-CD1 3.48Å; L177-L203 VanDerWaalsContact CD1-CD1 3.48Å; L177-L203 HydrophobicContact CD1-CG 4.22Å; L177-L203 HydrophobicContact CD2-CB 3.86Å; L177-L203 HydrophobicContact CG-CB 4.47Å; V184-L203 HydrophobicContact CG1-CD1 4.37Å; V184-L203 HydrophobicContact CG1-CD2 3.43Å; V184-L203 VanDerWaalsContact CG1-CD2 3.43Å; I185-L203 HydrophobicContact CG1-CD1 3.98Å; E188-L203 HydrophobicContact CB-CD1 3.93Å; E188-L203 HydrophobicContact CB-CD2 4.33Å; E188-L203 HydrophobicContact CB-CG 4.16Å; E188-L203 HydrophobicContact CG-CD1 4.28Å; E188-L203 HydrophobicContact CG-CD2 4.36Å; E188-L203 HydrophobicContact CG-CG 4.04Å; A199-L203 WeakPolarHBondContact O-CB 3.46Å; A199-L203 WeakPolarHBondContact O-CG 3.3Å; A199-L203 PolarHBondContact O-N 3.39Å; V200-L203 PolarHBondContact O-N 3Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 2.94Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-R206 CarbonylContact O-C 3.5Å; L203-R206 PolarHBondContact O-N 3.38Å |
| 204 | L | 84.5 | Confident | 71.7 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.5 | -22.7 | 170.1 | -71.2 | 175.4 | 0 | 0 | 0 | 113.2 | L177 V200 R206 | L177-L204 HydrophobicContact CD2-CD2 3.74Å; L177-L204 HydrophobicContact CD2-CG 3.78Å; V200-L204 HydrophobicContact CG1-CD1 3.66Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 WeakPolarHBondContact O-CB 3.41Å; V200-L204 VanDerWaalsContact O-CG 3.31Å; V200-L204 WeakPolarHBondContact O-CG 3.35Å; V200-L204 PolarHBondContact O-N 3.5Å; L204-R206 VanDerWaalsContact C-N 3.25Å |
| 205 | S | 79.9 | Confident | 68.9 | Low | 93 Ų | 93 | 99.7 Ų | 99.7 | 65% | 0.65 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 8.8 | 171 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | N201 N202 L203 | N201-S205 WeakPolarHBondContact O-CB 3.28Å; N201-S205 PolarHBondContact O-N 3.43Å; N201-S205 PolarHBondContact O-OG 2.95Å; N202-S205 PolarHBondContact O-OG 2.97Å; L203-S205 VanDerWaalsContact C-N 3.34Å |
| 206 | R | 70.6 | Confident | 65.9 | Low | 169 Ų | 169 | 100 Ų | 100 | 64% | 0.638 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -132.1 | 62.6 | 178.6 | -67.6 | -179.6 | 72.8 | -175.5 | 4.1 | 110.7 | K180 N202 L203 L204 | K180-R206 PolarHBondContact NZ-O 2.95Å; N202-R206 VanDerWaalsContact O-CD 3.27Å; N202-R206 WeakPolarHBondContact O-CD 3.39Å; N202-R206 WeakPolarHBondContact O-CG 3.48Å; L203-R206 CarbonylContact O-C 3.5Å; L203-R206 PolarHBondContact O-N 3.38Å; L204-R206 VanDerWaalsContact C-N 3.25Å |
| 207 | D | 52 | Low | 62.9 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | trans | -111.3 | 165 | 166.8 | -79.4 | -51.9 | 0 | 0 | 0 | 111 | K180 | K180-D207 WeakPolarHBondContact CE-OD1 3.4Å; K180-D207 IonicContact NZ-OD1 3.85Å; K180-D207 PolarHBondContact NZ-OD1 3.29Å; K180-D207 IonicContact NZ-OD2 3.47Å | ||
| 208 | D | 52.2 | Low | 60.1 | Low | 163 Ų | 163 | 103 Ų | 103 | 87% | 0.872 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 88.9 | -42.4 | 173 | -58 | -14.6 | 0 | 0 | 0 | 120.7 | A210 | D208-A210 PolarHBondContact O-N 3.41Š|
| 209 | E | 49.8 | Very low | 57.5 | Low | 195 Ų | 195 | 103.4 Ų | 103.4 | 91% | 0.911 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 3 | -165.9 | -84.2 | -80 | 110.9 | 0 | 0 | 117.9 | ||
| 210 | A | 42.1 | Very low | 54.7 | Low | 96 Ų | 96 | 111.2 Ų | 111.2 | 79% | 0.793 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.2 | 28.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | D208 | D208-A210 PolarHBondContact O-N 3.41Š|
| 211 | E | 37.9 | Very low | 51.8 | Low | 195 Ų | 195 | 114.2 Ų | 114.2 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | trans | -151.2 | 69.5 | 170.4 | -138.9 | 170.2 | -117.9 | 0 | 0 | 114.4 | ||||
| 212 | Q | 41.6 | Very low | 49.1 | Very low | 199 Ų | 199 | 117.7 Ų | 117.7 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | trans | -143.1 | 114.2 | 165.8 | -159.6 | 141.2 | 118.6 | 0 | 0 | 112 | ||||
| 213 | G | 37.2 | Very low | 46.4 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -99.7 | 144.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 214 | N | 33.8 | Very low | 43.7 | Very low | 174 Ų | 174 | 126 Ų | 126 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | 59.7 | 107.4 | 137.5 | -165.9 | 34.9 | 0 | 0 | 0 | 119.5 | ||||
| 215 | G | 34 | Very low | 41.3 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -178.2 | 66.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 216 | G | 30.1 | Very low | 39.1 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -88.9 | -176.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 217 | G | 30.6 | Very low | 37.1 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 152.7 | 108.8 | 164 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 218 | S | 32.8 | Very low | 36.2 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | 68.7 | 153.7 | 160.3 | -49.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 219 | S | 36.2 | Very low | 35.2 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 69% | 0.685 | 84% | 0.844 | S | S | * | * | cis | -151.6 | 151.5 | 1.5 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 220 | D | 34.1 | Very low | 34.2 | Very low | 164 Ų | 164 | 112.8 Ų | 112.8 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | 40.2 | 128.6 | 144.8 | -50.3 | -24.8 | 0 | 0 | 0 | 122.5 | ||||
| 221 | G | 33.6 | Very low | 33.6 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | 171.6 | 97.8 | 164 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 222 | N | 33.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 110.1 Ų | 110.1 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -61.8 | 134 | 178.9 | -70 | -35.4 | 0 | 0 | 0 | 115 | ||||
| 223 | A | 36.2 | Very low | 32.6 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | 177.1 | 146.5 | 114 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 224 | P | 35 | Very low | 32.2 | Very low | 136 Ų | 136 | 112.8 Ų | 112.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -111.5 | 153.8 | -170.5 | 39.4 | -32.6 | 0 | 0 | 0 | 116.3 | ||||
| 225 | G | 33.1 | Very low | 32 | Very low | 80 Ų | 80 | 113.1 Ų | 113.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 131.4 | 94.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 226 | A | 33.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -177.9 | 135 | 136.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 227 | G | 29.8 | Very low | 31.8 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 80.7 | 102.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 228 | A | 33.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 55.3 | 111.8 | 137.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 229 | G | 29.7 | Very low | 31.7 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | 94.4 | 125.2 | 112.4 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 230 | G | 30.7 | Very low | 31.7 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 85.9 | 131.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 231 | N | 28.4 | Very low | 31.6 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | cis | 48.9 | 131 | 39.8 | -75.9 | 31.8 | 0 | 0 | 0 | 112.6 | ||||
| 232 | S | 31.3 | Very low | 31.7 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 46% | 0.462 | 80% | 0.796 | S | S | . | * | cis | -157.6 | 163.2 | 29.3 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | W235 | S232-W235 PolarHBondContact OG-NE1 2.91Š| ||
| 233 | D | 27.8 | Very low | 31.8 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -144.5 | 83.6 | 145 | -108.2 | -23.1 | 0 | 0 | 0 | 109.9 | ||||
| 234 | D | 27.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -154.6 | 92.5 | 165.1 | -162.2 | 16.4 | 0 | 0 | 0 | 106.4 | ||||
| 235 | W | 30.5 | Very low | 31.6 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 89 | -169.4 | -82.1 | 104.1 | 0 | 0 | 0 | 111.1 | S232 | S232-W235 PolarHBondContact OG-NE1 2.91Š| ||
| 236 | D | 29.8 | Very low | 31.5 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -162.2 | 39.5 | 160 | -121.1 | -11.6 | 0 | 0 | 0 | 113.6 | ||
| 237 | D | 29.4 | Very low | 31.3 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -152.8 | 32.3 | 176.3 | -130.7 | -6.8 | 0 | 0 | 0 | 115.6 | ||
| 238 | E | 28.4 | Very low | 31.4 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 59% | 0.593 | 78% | 0.782 | S | S | * | * | trans | -144.2 | 59.4 | -178.6 | -160.4 | 73.4 | -90.4 | 0 | 0 | 113.5 | ||||
| 239 | A | 33.1 | Very low | 31.3 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -127.1 | 12.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 240 | V | 35.9 | Very low | 31.2 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -122.9 | -21.6 | -173.6 | -164.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 241 | E | 33.1 | Very low | 31.2 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -89.1 | -17.7 | -175.6 | -56.9 | -142 | 151.4 | 0 | 0 | 114.7 | L243 S244 | E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 3.01Å; E241-S244 WeakPolarHBondContact O-CB 3.24Å; E241-S244 PolarHBondContact O-N 2.94Å; E241-S244 PolarHBondContact O-OG 3.25Å |
| 242 | L | 36.1 | Very low | 31.1 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 71% | 0.707 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -78.6 | -0.4 | -176.7 | -68.9 | 178.4 | 0 | 0 | 0 | 115.8 | ||
| 243 | L | 35.7 | Very low | 30.9 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -96.5 | 2.8 | 168.8 | -71.1 | 173.1 | 0 | 0 | 0 | 113.2 | E241 | E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 3.01Å |
| 244 | S | 33.5 | Very low | 30.9 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -95.5 | -1.7 | -179.9 | -17.9 | 0 | 0 | 0 | 0 | 114.1 | E241 | E241-S244 WeakPolarHBondContact O-CB 3.24Å; E241-S244 PolarHBondContact O-N 2.94Å; E241-S244 PolarHBondContact O-OG 3.25Å |
| 245 | F | 32 | Very low | 31 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -106.4 | 4.1 | -167.6 | -104 | -82.3 | 0 | 0 | 0 | 115.6 | ||
| 246 | F | 31.8 | Very low | 30.8 | Very low | 203 Ų | 203 | 150 Ų | 150 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -123.3 | 26.7 | -176.9 | -83.6 | -71.4 | 0 | 0 | 0 | 114.6 | ||
| 247 | E | 28.6 | Very low | 31 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -121.6 | 71 | 174.5 | -157.7 | 161.4 | -147.5 | 0 | 0 | 111.6 | ||
| 248 | Y | 32.3 | Very low | 31 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | 63.4 | 134.2 | 168.7 | -65.2 | -87.8 | 0 | 0 | 0 | 120.4 | ||||
| 249 | P | 31.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -107.9 | 149 | 140.1 | 35.6 | -29.5 | 0 | 0 | 0 | 111.8 | ||||
| 250 | D | 27.1 | Very low | 31.3 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -66.5 | 154.9 | 179.1 | -58.9 | -63.5 | 0 | 0 | 0 | 114.1 | ||||
| 251 | S | 31.4 | Very low | 31.2 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -154.6 | 88.1 | 150.4 | -80.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 252 | H | 25.6 | Very low | 31.2 | Very low | 191 Ų | 191 | 146 Ų | 146 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 128.7 | 157 | -75.6 | -96.2 | 0 | 0 | 0 | 109.2 | ||||
| 253 | G | 27.6 | Very low | 31.1 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -176.3 | 85 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 254 | L | 27.7 | Very low | 31 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 50.9 | 97.9 | 148.5 | -164.9 | 80.8 | 0 | 0 | 0 | 118.9 | ||||
| 255 | F | 30.9 | Very low | 31.1 | Very low | 208 Ų | 208 | 149.2 Ų | 149.2 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | trans | -145.4 | 77.6 | 142 | -87.1 | -65.4 | 0 | 0 | 0 | 110.3 | ||||
| 256 | D | 26.2 | Very low | 31.3 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -77.7 | 126.6 | 151.3 | -79.7 | -48.5 | 0 | 0 | 0 | 107.6 | ||||
| 257 | A | 33.5 | Very low | 31.2 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -152.8 | 37.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | G259 | A257-G259 PolarHBondContact O-N 3.31Š| ||
| 258 | D | 29.4 | Very low | 31.9 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 114.1 | 166 | -98.9 | -32.4 | 0 | 0 | 0 | 109.8 | ||||
| 259 | G | 35.2 | Very low | 32.4 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -160.3 | 107.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A257 | A257-G259 PolarHBondContact O-N 3.31Š| ||
| 260 | L | 32.5 | Very low | 32.4 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 156 | -180 | -63.6 | 78.1 | 0 | 0 | 0 | 110.5 | ||||
| 261 | I | 33.5 | Very low | 32.9 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | -177.7 | 149.6 | 88.6 | -85.7 | 154.2 | 0 | 0 | 0 | 110.4 | |||||
| 262 | A | 32.9 | Very low | 33.4 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 61.8 | 91.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 263 | D | 33.6 | Very low | 33.6 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | 23.3 | 158.1 | 104.3 | -145.9 | 3.2 | 0 | 0 | 0 | 123.1 | |||||
| 264 | E | 34.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | 80.1 | 117 | 158.9 | -109.5 | -167.1 | 149.5 | 0 | 0 | 123.9 | ||||
| 265 | M | 36 | Very low | 34.2 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | 92 | 129.3 | 131.9 | -146.9 | 64.5 | 97.5 | 0 | 0 | 122.7 | ||||
| 266 | A | 35.3 | Very low | 34.2 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 67.4 | 101.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 267 | G | 29.7 | Very low | 34.3 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | 105.8 | 91.2 | 112 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 268 | P | 43.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -85.7 | -168.3 | 152.6 | 41.3 | -37 | 0 | 0 | 0 | 110 | ||||
| 269 | P | 42.7 | Very low | 34 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | -143 | -178.9 | 6.1 | 44.7 | -26.9 | 0 | 0 | 0 | 117.2 | ||||
| 270 | T | 32.6 | Very low | 33.6 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -134.7 | 114.7 | 144.3 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 271 | S | 38 | Very low | 33.3 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -167.3 | 129.2 | 169.8 | -179.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 272 | P | 41.2 | Very low | 33 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -88.2 | 118.4 | 170.4 | -7 | 26 | 0 | 0 | 0 | 112.3 | ||||
| 273 | R | 30 | Very low | 32.6 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -73.9 | 170.4 | 160.2 | -64.8 | 171.3 | 176.8 | 157.8 | -3.4 | 108.9 | ||||
| 274 | F | 34.1 | Very low | 32.4 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | cis | -154 | 171.1 | 37.1 | -78 | -96.3 | 0 | 0 | 0 | 109.1 | ||||
| 275 | R | 33 | Very low | 32.1 | Very low | 238 Ų | 238 | 136.1 Ų | 136.1 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | cis | -126.6 | 168.7 | 18.8 | -58.3 | 168.3 | 174.8 | 163.6 | -3.6 | 108.8 | ||||
| 276 | G | 31.1 | Very low | 31.6 | Very low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | 84.7 | 120.7 | 34.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 277 | D | 29.3 | Very low | 31.3 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | cis | -163.5 | 173.5 | 3.3 | -146.9 | -26.1 | 0 | 0 | 0 | 112 | ||||
| 278 | L | 30.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 142 Ų | 142 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 70.1 | 103.1 | 160 | -61.9 | 176.7 | 0 | 0 | 0 | 123.4 | ||||
| 279 | T | 24.5 | Very low | 30.8 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | 61.2 | 134.8 | 123.9 | 61.1 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 280 | S | 27.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 90.2 | 137.4 | 138.1 | 73.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 281 | D | 26.5 | Very low | 30 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 142.6 | -175.2 | -35.4 | -87.6 | 0 | 0 | 0 | 113.8 | ||||
| 282 | Y | 27 | Very low | 29.6 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 49% | 0.49 | 77% | 0.767 | S | S | . | * | trans | -153 | 130.4 | 131.7 | -104.2 | -74.4 | 0 | 0 | 0 | 111.4 | ||||
| 283 | E | 24.3 | Very low | 29 | Very low | 159 Ų | 159 | 159.6 Ų | 159.6 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 30.7 | 119.6 | 137 | -172.8 | 179.6 | -172.3 | 0 | 0 | 119.5 | ||||
| 284 | Y | 29.4 | Very low | 29.1 | Very low | 233 Ų | 233 | 160.6 Ų | 160.6 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | trans | -144.1 | 118.4 | 141.9 | -119.1 | -80.7 | 0 | 0 | 0 | 111.4 | ||||
| 285 | G | 27.7 | Very low | 28.8 | Very low | 53 Ų | 53 | 164 Ų | 164 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | trans | -82.5 | 167.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 286 | F | 25.8 | Very low | 28.7 | Very low | 204 Ų | 204 | 159.7 Ų | 159.7 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | 40.3 | 102.4 | 158.3 | -103.6 | -91.5 | 0 | 0 | 0 | 118.6 | ||||
| 287 | L | 29.3 | Very low | 28.5 | Very low | 114 Ų | 114 | 163.5 Ų | 163.5 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | -169.6 | 102 | 129.7 | -110.2 | 174.4 | 0 | 0 | 0 | 112.6 | R290 | L287-R290 HydrophobicContact CD2-CG 4.02Š| |||
| 288 | S | 32.5 | Very low | 28.5 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | -160.5 | 51.7 | 156.6 | -113.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 289 | D | 29.8 | Very low | 28.6 | Very low | 131 Ų | 131 | 162.5 Ų | 162.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -126 | 119.5 | 130.7 | -171.7 | -3.1 | 0 | 0 | 0 | 109.4 | R291 | D289-R291 PolarHBondContact OD1-N 3.21Š| ||
| 290 | R | 28.1 | Very low | 28.7 | Very low | 214 Ų | 214 | 163.8 Ų | 163.8 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -128.5 | 39.7 | 175.5 | -91.6 | -175.4 | 170.9 | -179.1 | -0.4 | 111.3 | L287 | L287-R290 HydrophobicContact CD2-CG 4.02Š| ||
| 291 | R | 31.4 | Very low | 29 | Very low | 225 Ų | 225 | 168.9 Ų | 168.9 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 49.5 | -178.9 | -158.5 | 170.1 | -77.5 | -166.7 | -1.2 | 116 | D289 | D289-R291 PolarHBondContact OD1-N 3.21Š| ||
| 292 | K | 28.7 | Very low | 29.1 | Very low | 207 Ų | 207 | 167.5 Ų | 167.5 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -147.7 | 51.1 | 161.7 | -125.9 | 165.6 | -171.6 | 170.5 | 0 | 117 | ||
| 293 | R | 29 | Very low | 29.3 | Very low | 207 Ų | 207 | 173.7 Ų | 173.7 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -141 | 150 | 157.4 | -94.5 | -168.8 | 172.1 | -179.3 | -0.7 | 111.2 | Q96 | Q96-R293 VanDerWaalsContact OE1-NH1 3.12Š|
| 294 | R | 31.4 | Very low | 29.4 | Very low | 234 Ų | 234 | 169.4 Ų | 169.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 71 | 85.4 | -177.3 | -55.4 | -173.5 | -175.4 | -175.8 | 2.1 | 116.6 | ||||
| 295 | R | 28.1 | Very low | 29.4 | Very low | 259 Ų | 259 | 165.6 Ų | 165.6 | 98% | 0.977 | 79% | 0.786 | S | S | * | * | -97.8 | 117.2 | 127.3 | -101.6 | -172.2 | 171.2 | 112 | -4.5 | 106.5 | |||||
| 296 | M | 30.3 | Very low | 29.5 | Very low | 146 Ų | 146 | 171 Ų | 171 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -174.3 | 133.2 | -174.7 | -155.7 | 152.8 | 178.8 | 0 | 0 | 104 | ||||
| 297 | E | 27.5 | Very low | 29.7 | Very low | 149 Ų | 149 | 167.4 Ų | 167.4 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | cis | -164.4 | 145.5 | 4.9 | -147.7 | 165.5 | -175.8 | 0 | 0 | 109.8 | ||||
| 298 | S | 30.4 | Very low | 29.8 | Very low | 93 Ų | 93 | 172.2 Ų | 172.2 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | -163.5 | 147.7 | 153.3 | 72 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 299 | H | 31.4 | Very low | 29.9 | Very low | 171 Ų | 171 | 171.6 Ų | 171.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -125.8 | 154.8 | 6.9 | -70.8 | -98.9 | 0 | 0 | 0 | 112.6 | ||||
| 300 | L | 27.3 | Very low | 29.7 | Very low | 146 Ų | 146 | 168.4 Ų | 168.4 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -104.4 | 135.1 | 171.1 | -72.2 | 164.8 | 0 | 0 | 0 | 110.9 | ||||
| 301 | Y | 32.4 | Very low | 29.9 | Very low | 221 Ų | 221 | 170.1 Ų | 170.1 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -148 | 110.4 | 144.5 | -81.5 | -74.2 | 0 | 0 | 0 | 107 | ||||
| 302 | S | 30.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 167 Ų | 167 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | 92.8 | 92.6 | 64 | -74.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 303 | R | 30.6 | Very low | 29.8 | Very low | 254 Ų | 254 | 161.9 Ų | 161.9 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -164.9 | 143.6 | 131.6 | -111.9 | 174.5 | -177.8 | 179.4 | 1.1 | 110.5 | ||||
| 304 | G | 26.4 | Very low | 29.8 | Very low | 70 Ų | 70 | 156.8 Ų | 156.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -139.2 | 152.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 305 | N | 30.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -157.9 | 158.9 | 153.9 | -148.6 | 54.6 | 0 | 0 | 0 | 109.6 | ||||
| 306 | E | 28.1 | Very low | 29.8 | Very low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -79 | 173.2 | 176.9 | -53.8 | 174.4 | 157.5 | 0 | 0 | 111.7 | ||||
| 307 | L | 30.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | 155.9 | 126.3 | 123.5 | -80.9 | 162 | 0 | 0 | 0 | 113.1 | |||||
| 308 | Y | 30.7 | Very low | 29.7 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | 58.1 | 147.9 | 156.5 | -72.3 | -112 | 0 | 0 | 0 | 118.2 | ||||
| 309 | S | 34.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | cis | -150.1 | 167.9 | 12.9 | -164.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 310 | G | 26.8 | Very low | 29.6 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 162 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 311 | R | 32.8 | Very low | 29.9 | Very low | 249 Ų | 249 | 147.1 Ų | 147.1 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | -154.8 | 153.1 | 163.3 | -109.4 | 173.3 | -171 | -163.5 | 0.7 | 110.8 | ||||
| 312 | N | 26.9 | Very low | 29.6 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 178.1 | -171.5 | -65.9 | -17.3 | 0 | 0 | 0 | 112.1 | ||||
| 313 | A | 30.6 | Very low | 29.5 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 80.8 | 151.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 314 | S | 28.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -176 | 139.2 | -22.2 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 315 | V | 27.9 | Very low | 29.7 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 59.3 | 128.7 | 155.3 | 168.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 316 | V | 31.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | -176.1 | 158.6 | 124.1 | 151 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 317 | S | 28.4 | Very low | 29.8 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -112.7 | 167.7 | -161 | -44.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 318 | D | 26.5 | Very low | 29.7 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 83.8 | 149.8 | 139.5 | -66.6 | -39.8 | 0 | 0 | 0 | 124.9 | ||||
| 319 | T | 31.6 | Very low | 30 | Very low | 126 Ų | 126 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 71.7 | 90.8 | 157.6 | 42.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 320 | T | 29.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | 22.2 | 128.3 | 123.6 | 55.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 321 | Y | 31.8 | Very low | 30.2 | Very low | 243 Ų | 243 | 146.2 Ų | 146.2 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -142.1 | 157.2 | 137.5 | -111.7 | -81.9 | 0 | 0 | 0 | 111.1 | ||||
| 322 | N | 27.3 | Very low | 30.2 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -141.1 | 130.6 | -167.3 | -162 | 2.1 | 0 | 0 | 0 | 110.6 | ||||
| 323 | R | 28.4 | Very low | 30.4 | Very low | 247 Ų | 247 | 137.5 Ų | 137.5 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -179 | 151.1 | 149 | -104.8 | 167.4 | -156.9 | -95.2 | 0.4 | 113.4 | ||||
| 324 | S | 29.3 | Very low | 30.5 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -113.4 | 167.4 | -177.1 | -43.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 325 | V | 30.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -140.8 | 107.9 | 157.1 | -178.6 | 0 | 0 | 0 | 0 | 104 | ||||
| 326 | A | 31.4 | Very low | 30.7 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 60% | 0.603 | 78% | 0.78 | S | S | * | * | 78.2 | 150.5 | 67.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 327 | D | 30 | Very low | 30.7 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | cis | -169.4 | 171.5 | -14.8 | -104.7 | -16.3 | 0 | 0 | 0 | 109.2 | ||||
| 328 | S | 29 | Very low | 30.7 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | cis | -178.1 | 105.2 | -38.7 | -94.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 329 | L | 35.8 | Very low | 30.8 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -131.8 | 110.6 | 175 | -78.3 | 161.8 | 0 | 0 | 0 | 108.8 | ||||
| 330 | R | 32.3 | Very low | 30.7 | Very low | 214 Ų | 214 | 139.4 Ų | 139.4 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | cis | 68.2 | 135.3 | 45.4 | -59.5 | -173.5 | 167.9 | -169.4 | -3.8 | 112.5 | ||||
| 331 | N | 33 | Very low | 30.6 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | cis | -147.3 | 167.7 | 22.4 | -128.7 | 17.2 | 0 | 0 | 0 | 109.5 | ||||
| 332 | S | 33.3 | Very low | 30.7 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | cis | -149.9 | 155.6 | 17.7 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 333 | T | 32.2 | Very low | 30.7 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | 1.2 | 140.1 | 150.2 | 55.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 334 | A | 32.2 | Very low | 31 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -166.4 | -167.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 335 | S | 32.6 | Very low | 31 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | cis | -155 | 170.7 | 5.5 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 336 | D | 27.2 | Very low | 31.1 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -76.6 | 138.5 | -170.7 | -59.3 | -72.6 | 0 | 0 | 0 | 117.1 | ||||
| 337 | S | 31.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | -159.9 | 150.3 | 118.9 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 338 | A | 28.1 | Very low | 32.2 | Very low | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -92.5 | 156.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 339 | S | 29.4 | Very low | 33.2 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -147.8 | 145.3 | 169.7 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 340 | D | 29.5 | Very low | 33.8 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -79.7 | 159.2 | -168.9 | -66.4 | -80.5 | 0 | 0 | 0 | 116.9 | V342 | D340-V342 VanDerWaalsContact C-N 3.26Å; D340-V342 HydrophobicContact CB-CG2 4.36Å; D340-V342 PolarHBondContact O-N 3.44Å | ||
| 341 | N | 27.9 | Very low | 34.7 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 93% | 0.925 | 69% | 0.691 | S | S | * | * | trans | -73.3 | 68.6 | 171.6 | -86.5 | -78.4 | 0 | 0 | 0 | 112.7 | ||||
| 342 | V | 33.4 | Very low | 36.5 | Very low | 117 Ų | 117 | 112.7 Ų | 112.7 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | trans | -86 | 113.5 | 171.3 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | D340 Q344 | D340-V342 VanDerWaalsContact C-N 3.26Å; D340-V342 HydrophobicContact CB-CG2 4.36Å; D340-V342 PolarHBondContact O-N 3.44Å; V342-Q344 PolarHBondContact O-N 3.41Å | ||
| 343 | K | 27.6 | Very low | 38.9 | Very low | 205 Ų | 205 | 109.2 Ų | 109.2 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | trans | -69.1 | 92.1 | 174 | -72.8 | -176 | 176.8 | 179.8 | 0 | 111.2 | S345 | K343-S345 PolarHBondContact O-N 3.04Š| ||
| 344 | Q | 33.7 | Very low | 41.5 | Very low | 145 Ų | 145 | 108.5 Ų | 108.5 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | trans | -66.1 | 112.2 | 165.8 | -70.8 | -170.3 | -2.6 | 0 | 0 | 110.1 | V342 G346 | V342-Q344 PolarHBondContact O-N 3.41Å; Q344-G346 PolarHBondContact O-N 2.83Å | ||
| 345 | S | 29.9 | Very low | 44.3 | Very low | 125 Ų | 125 | 105 Ų | 105 | 87% | 0.874 | 59% | 0.594 | S | S | * | * | trans | -77.6 | 62.2 | 167.2 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | K343 | K343-S345 PolarHBondContact O-N 3.04Š| ||
| 346 | G | 32.6 | Very low | 47 | Very low | 45 Ų | 45 | 102.5 Ų | 102.5 | 46% | 0.464 | 58% | 0.576 | S | S | . | * | trans | -86.6 | 147.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q344 S348 | Q344-G346 PolarHBondContact O-N 2.83Å; G346-S348 PolarHBondContact O-N 3Å | ||
| 347 | S | 41.4 | Very low | 50 | Low | 39 Ų | 39 | 101.9 Ų | 101.9 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | trans | -32.5 | 122.7 | 180 | 176.4 | 0 | 0 | 0 | 0 | 114.5 | T349 | S347-T349 PolarHBondContact O-N 3.1Å; S347-T349 VanDerWaalsContact O-N 3.09Å; S347-T349 PolarHBondContact OG-OG1 2.97Å | ||
| 348 | S | 44.3 | Very low | 52.8 | Low | 54 Ų | 54 | 100 Ų | 100 | 38% | 0.378 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -60.2 | -24.1 | -174.6 | -155.7 | 0 | 0 | 0 | 0 | 113 | G346 R350 Y351 Y352 | G346-S348 PolarHBondContact O-N 3Å; S348-R350 VanDerWaalsContact C-N 3.33Å; S348-R350 PolarHBondContact O-N 2.88Å; S348-Y351 PolarHBondContact O-N 3.36Å; S348-Y352 VanDerWaalsContact O-CE2 3.29Å; S348-Y352 WeakPolarHBondContact O-CE2 3.35Å; S348-Y352 PolarHBondContact OG-OH 3.11Å |
| 349 | T | 49.1 | Very low | 55.9 | Low | 22 Ų | 22 | 96.2 Ų | 96.2 | 14% | 0.135 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -69.4 | -25.6 | -170.3 | -19.8 | 0 | 0 | 0 | 0 | 114 | L6 F7 S347 Y351 | L6-T349 WeakPolarHBondContact O-CG2 3.46Å; F7-T349 HydrophobicContact CB-CG2 3.98Å; S347-T349 PolarHBondContact O-N 3.1Å; S347-T349 VanDerWaalsContact O-N 3.09Å; S347-T349 PolarHBondContact OG-OG1 2.97Å; T349-Y351 PolarHBondContact O-N 3.36Å; T349-Y351 VanDerWaalsContact O-N 3.15Å |
| 350 | R | 49 | Very low | 59 | Low | 177 Ų | 177 | 93.7 Ų | 93.7 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -65.9 | -11.3 | 174.7 | -65.3 | -158.1 | -160.7 | 173.6 | 10.3 | 114.2 | S42 S348 | S42-R350 PolarHBondContact OG-NE 3.02Å; S42-R350 PolarHBondContact OG-NH2 2.96Å; S348-R350 VanDerWaalsContact C-N 3.33Å; S348-R350 PolarHBondContact O-N 2.88Å |
| 351 | Y | 51.4 | Low | 62 | Low | 126 Ų | 126 | 90.5 Ų | 90.5 | 49% | 0.494 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -97 | -6.9 | -174.5 | -66.4 | -76 | 0 | 0 | 0 | 114.7 | R85 S348 T349 | R85-Y351 WeakPolarHBondContact CD-O 3.45Å; S348-Y351 PolarHBondContact O-N 3.36Å; T349-Y351 PolarHBondContact O-N 3.36Å; T349-Y351 VanDerWaalsContact O-N 3.15Å |
| 352 | Y | 71 | Confident | 65.1 | Low | 45 Ų | 45 | 83.2 Ų | 83.2 | 18% | 0.176 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -43.5 | -175.4 | -50.8 | -53.2 | 0 | 0 | 0 | 113.6 | I81 N82 R85 L86 S348 | I81-Y352 WeakPolarHBondContact CA-O 3.31Å; N82-Y352 PolarHBondContact N-O 3.41Å; R85-Y352 HydrophobicContact CB-CD1 4.07Å; R85-Y352 HydrophobicContact CB-CE1 4.12Å; L86-Y352 HydrophobicContact CD2-CD1 3.72Å; L86-Y352 HydrophobicContact CD2-CD2 4.09Å; L86-Y352 HydrophobicContact CD2-CE1 4.16Å; L86-Y352 HydrophobicContact CD2-CE2 4.49Å; L86-Y352 HydrophobicContact CD2-CG 3.69Å; L86-Y352 HydrophobicContact CG-CD1 3.7Å; L86-Y352 HydrophobicContact CG-CE1 4.31Å; L86-Y352 HydrophobicContact CG-CG 4.03Å; S348-Y352 VanDerWaalsContact O-CE2 3.29Å; S348-Y352 WeakPolarHBondContact O-CE2 3.35Å; S348-Y352 PolarHBondContact OG-OH 3.11Å |
| 353 | V | 82.7 | Confident | 67.7 | Low | 18 Ų | 18 | 80.6 Ų | 80.6 | 11% | 0.109 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.2 | -179.2 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | A8 Y79 I81 L355 F1142 | A8-V353 HydrophobicContact CB-CG2 3.68Å; Y79-V353 HydrophobicContact CD2-CG1 4.47Å; I81-V353 HydrophobicContact CG1-CG2 4.42Å; V353-L355 HydrophobicContact CG1-CD2 4.34Å; V353-F1142 HydrophobicContact CB-CE2 4.4Å; V353-F1142 HydrophobicContact CG1-CE2 3.83Å; V353-F1142 HydrophobicContact CG1-CZ 3.94Å; V353-F1142 HydrophobicContact CG2-CD2 4.04Å; V353-F1142 HydrophobicContact CG2-CE2 3.72Å |
| 354 | Q | 87.5 | Confident | 70 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.7 | 174.6 | 178.4 | 171.8 | -9.4 | 0 | 0 | 108.4 | Y79 T80 | Y79-Q354 CarbonylContact C-O 3.43Å; Y79-Q354 VanDerWaalsContact CA-O 3.23Å; Y79-Q354 WeakPolarHBondContact CA-O 3.49Å; T80-Q354 PolarHBondContact N-O 3.32Å; T80-Q354 PolarHBondContact O-N 2.91Å |
| 355 | L | 90.3 | Very high | 71.6 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 156.4 | 170.9 | -56 | -177.5 | 0 | 0 | 0 | 109.6 | L6 P44 V46 L47 I65 V77 V353 | L6-L355 HydrophobicContact CD1-CD1 4.06Å; L6-L355 HydrophobicContact CD1-CD2 4.01Å; L6-L355 HydrophobicContact CD1-CG 4.33Å; P44-L355 HydrophobicContact CB-CD1 4.01Å; P44-L355 HydrophobicContact CG-CD1 3.97Å; V46-L355 HydrophobicContact CG1-CB 3.95Å; V46-L355 HydrophobicContact CG1-CD1 3.75Å; L47-L355 HydrophobicContact CD1-CD1 3.56Å; L47-L355 HydrophobicContact CD2-CD1 4.38Å; L47-L355 HydrophobicContact CG-CD1 3.69Å; I65-L355 HydrophobicContact CD1-CD2 4.1Å; V77-L355 HydrophobicContact CG2-CB 4.28Å; V353-L355 HydrophobicContact CG1-CD2 4.34Å |
| 356 | C | 90.3 | Very high | 72.7 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | trans | -72.2 | 157.2 | 161.8 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | V46 V77 A78 V358 | V46-C356 WeakPolarHBondContact CG1-O 3.44Å; V46-C356 WeakPolarHBondContact CG2-O 3.49Å; V77-C356 HydrophobicContact CG2-CB 4.42Å; A78-C356 HydrophobicContact CB-CB 4.01Å; A78-C356 PolarHBondContact O-N 3.21Å; C356-V358 VanDerWaalsContact C-N 3.26Å; C356-V358 PolarHBondContact O-N 2.93Å | ||
| 357 | D | 89 | Confident | 73.4 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 80% | 0.802 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -78.4 | -7.8 | -176.9 | -58.9 | -56.2 | 0 | 0 | 0 | 113.9 | V46 | V46-D357 WeakPolarHBondContact CG2-O 3.4Š|
| 358 | V | 91.1 | Very high | 73.9 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 52% | 0.515 | 41% | 0.406 | S | S | . | . | trans | -105.1 | 128 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 111 | V77 C356 E360 | V77-V358 WeakPolarHBondContact CG2-O 3.29Å; C356-V358 VanDerWaalsContact C-N 3.26Å; C356-V358 PolarHBondContact O-N 2.93Å; V358-E360 HydrophobicContact CG1-CG 4Å | ||
| 359 | L | 93.5 | Very high | 74.1 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | trans | -100.6 | 109.3 | 168.9 | -179.4 | 63.2 | 0 | 0 | 0 | 108.4 | V46 P49 L50 C75 V77 F361 | V46-L359 HydrophobicContact CG2-CB 3.83Å; P49-L359 HydrophobicContact CB-CD2 4.25Å; P49-L359 HydrophobicContact CG-CD2 4.17Å; L50-L359 HydrophobicContact CD1-CD1 4.37Å; L50-L359 HydrophobicContact CD1-CD2 4.29Å; L50-L359 HydrophobicContact CD2-CD2 3.99Å; L50-L359 HydrophobicContact CG-CD2 3.92Å; C75-L359 HydrophobicContact CB-CD1 4.14Å; C75-L359 HydrophobicContact CB-CG 4.42Å; V77-L359 HydrophobicContact CB-CD1 4.2Å; V77-L359 HydrophobicContact CG1-CD1 4.43Å; L359-F361 HydrophobicContact CD2-CE2 3.63Å; L359-F361 HydrophobicContact CD2-CZ 4.03Å; L359-F361 HydrophobicContact CG-CD2 4.33Å; L359-F361 HydrophobicContact CG-CE2 3.83Å | ||
| 360 | E | 94.1 | Very high | 74.4 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114 | -177.6 | -61.6 | -177.2 | 160.9 | 0 | 0 | 109.7 | C75 R76 V358 W396 | C75-E360 CarbonylContact C-O 3.51Å; C75-E360 WeakPolarHBondContact CA-O 3.38Å; C75-E360 WeakPolarHBondContact CB-O 3.39Å; R76-E360 HydrophobicContact CG-CB 4Å; R76-E360 IonicContact CZ-OE2 2.74Å; R76-E360 PolarHBondContact N-O 3.28Å; R76-E360 IonicContact NE-OE2 3.68Å; R76-E360 PolarHBondContact NE-OE2 3.39Å; R76-E360 IonicContact NH2-OE2 2.72Å; R76-E360 PolarHBondContact NH2-OE2 2.96Å; R76-E360 PolarHBondContact O-N 3.06Å; V358-E360 HydrophobicContact CG1-CG 4Å; E360-W396 HydrophobicContact CB-CH2 4.03Å |
| 361 | F | 93.3 | Very high | 75.4 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 36% | 0.36 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 151.2 | 169.2 | -76.9 | -102 | 0 | 0 | 0 | 110.3 | L50 L69 C75 L359 P363 W396 | L50-F361 HydrophobicContact CD2-CZ 4.17Å; L69-F361 HydrophobicContact CD1-CE1 4.47Å; C75-F361 HydrophobicContact CB-CB 4.5Å; C75-F361 HydrophobicContact CB-CD1 3.83Å; C75-F361 HydrophobicContact CB-CD2 4.19Å; C75-F361 HydrophobicContact CB-CE1 4.01Å; C75-F361 HydrophobicContact CB-CE2 4.36Å; C75-F361 HydrophobicContact CB-CG 3.92Å; C75-F361 HydrophobicContact CB-CZ 4.27Å; L359-F361 HydrophobicContact CD2-CE2 3.63Å; L359-F361 HydrophobicContact CD2-CZ 4.03Å; L359-F361 HydrophobicContact CG-CD2 4.33Å; L359-F361 HydrophobicContact CG-CE2 3.83Å; F361-P363 WeakPolarHBondContact O-CD 3.37Å; F361-W396 WeakPolarHBondContact O-CH2 3.49Å |
| 362 | W | 92.8 | Very high | 77 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 8% | 0.08 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 120.2 | 170.8 | -161.4 | -63.8 | 0 | 0 | 0 | 108.8 | V74 D364 F374 L384 A386 H394 W396 P403 | V74-W362 HydrophobicContact CB-CB 4.27Å; V74-W362 HydrophobicContact CB-CE3 4.3Å; V74-W362 HydrophobicContact CG1-CE3 3.94Å; V74-W362 WeakPolarHBondContact O-CB 3.47Å; V74-W362 PolarHBondContact O-N 3.05Å; W362-D364 PolarHBondContact O-N 3.08Å; W362-F374 HydrophobicContact CB-CE2 4.16Å; W362-F374 AromaticContact CD1-CZ 3.93Å; W362-F374 AromaticContact CD2-CE2 3.87Å; W362-F374 HydrophobicContact CD2-CE2 3.87Å; W362-F374 AromaticContact CD2-CZ 3.69Å; W362-F374 HydrophobicContact CD2-CZ 3.69Å; W362-F374 AromaticContact CE2-CZ 3.7Å; W362-F374 HydrophobicContact CE3-CE2 4.34Å; W362-F374 HydrophobicContact CE3-CZ 4.21Å; W362-F374 AromaticContact CG-CE2 3.73Å; W362-F374 HydrophobicContact CG-CE2 3.73Å; W362-F374 AromaticContact CG-CZ 3.91Å; W362-F374 HydrophobicContact CG-CZ 3.91Å; W362-F374 HydrophobicContact CZ2-CZ 4.27Å; W362-F374 AromaticContact NE1-CZ 3.81Å; W362-L384 HydrophobicContact CE3-CD2 4.29Å; W362-L384 HydrophobicContact CZ3-CD2 3.98Å; W362-L384 HydrophobicContact CZ3-CG 4.2Å; W362-A386 HydrophobicContact CE3-CB 4.42Å; W362-A386 HydrophobicContact CH2-CB 4.12Å; W362-A386 HydrophobicContact CZ3-CB 3.8Å; W362-H394 HydrophobicContact CH2-CB 3.81Å; W362-H394 HydrophobicContact CZ2-CB 3.63Å; W362-W396 HydrophobicContact CB-CZ3 4.27Å; W362-W396 HydrophobicContact CD2-CE3 4.03Å; W362-W396 HydrophobicContact CD2-CZ3 4.42Å; W362-W396 AromaticContact CE3-CE3 3.7Å; W362-W396 HydrophobicContact CE3-CE3 3.7Å; W362-W396 HydrophobicContact CE3-CZ3 4.31Å; W362-W396 HydrophobicContact CG-CZ3 4.47Å; W362-W396 HydrophobicContact CH2-CB 3.75Å; W362-W396 HydrophobicContact CZ2-CB 4.39Å; W362-W396 HydrophobicContact CZ3-CB 3.94Å; W362-W396 HydrophobicContact CZ3-CE3 4.05Å; W362-P403 HydrophobicContact CD2-CG 4.24Å; W362-P403 HydrophobicContact CG-CG 4.47Å; W362-P403 HydrophobicContact CH2-CB 4.35Å; W362-P403 HydrophobicContact CZ2-CB 3.54Å; W362-P403 HydrophobicContact CZ2-CG 3.87Å |
| 363 | P | 86.9 | Confident | 78 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -69 | 129.9 | -177.2 | 26.9 | -34.2 | 0 | 0 | 0 | 111 | F361 P403 | F361-P363 WeakPolarHBondContact O-CD 3.37Å; P363-P403 VanDerWaalsContact CG-CD 3.49Å; P363-P403 HydrophobicContact CG-CG 3.78Å |
| 364 | D | 76 | Confident | 78.6 | Confident | 71 Ų | 71 | 77.9 Ų | 77.9 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 141.4 | 167.8 | -75.9 | -55.9 | 0 | 0 | 0 | 110.1 | W362 E366 N371 L372 | W362-D364 PolarHBondContact O-N 3.08Å; D364-E366 PolarHBondContact O-N 2.97Å; D364-N371 WeakPolarHBondContact OD1-CA 3.48Å; D364-L372 PolarHBondContact OD1-N 3.37Å |
| 365 | P | 66.5 | Low | 79 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 29% | 0.286 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 116.1 | -174.3 | 25.9 | -30.8 | 0 | 0 | 0 | 111.2 | N367 S368 | P365-N367 PolarHBondContact O-N 2.84Å; P365-S368 PolarHBondContact O-N 2.96Å |
| 366 | E | 53.3 | Low | 79.3 | Confident | 182 Ų | 182 | 75.9 Ų | 75.9 | 85% | 0.85 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 134.6 | 179.4 | -62.8 | -172.8 | 164.7 | 0 | 0 | 111.7 | D364 | D364-E366 PolarHBondContact O-N 2.97Š|
| 367 | N | 47.5 | Very low | 79.6 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 93% | 0.925 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 11.7 | -171.9 | -55.6 | -48.4 | 0 | 0 | 0 | 117.7 | P365 | P365-N367 PolarHBondContact O-N 2.84Š|
| 368 | S | 51.4 | Low | 80 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | trans | -116.2 | 114.4 | 167.4 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | P365 L370 | P365-S368 PolarHBondContact O-N 2.96Å; S368-L370 PolarHBondContact O-N 3.17Å | ||
| 369 | G | 50 | Low | 80.2 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 86% | 0.856 | 35% | 0.352 | S | S | * | . | trans | -75 | 38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 370 | L | 55.5 | Low | 80.3 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 62% | 0.623 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -129.8 | 100.2 | -176.3 | -65.7 | 175.4 | 0 | 0 | 0 | 108.5 | S368 L372 W390 | S368-L370 PolarHBondContact O-N 3.17Å; L370-L372 PolarHBondContact O-N 2.94Å; L370-W390 HydrophobicContact CB-CH2 4.48Å |
| 371 | N | 70 | Confident | 80.3 | Confident | 118 Ų | 118 | 60.8 Ų | 60.8 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | trans | -55.9 | 133.1 | 178.6 | -58.2 | 18 | 0 | 0 | 0 | 110.6 | D364 H373 W390 | D364-N371 WeakPolarHBondContact OD1-CA 3.48Å; N371-H373 PolarHBondContact O-N 3.45Å; N371-W390 WeakPolarHBondContact O-CH2 3.41Å | ||
| 372 | L | 84.7 | Confident | 80.2 | Confident | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | trans | -68.5 | 95.7 | 178.9 | -84.9 | 169.7 | 0 | 0 | 0 | 111.8 | D364 L370 F374 T388 W390 | D364-L372 PolarHBondContact OD1-N 3.37Å; L370-L372 PolarHBondContact O-N 2.94Å; L372-F374 HydrophobicContact CB-CD2 4.45Å; L372-F374 HydrophobicContact CB-CE2 3.74Å; L372-F374 HydrophobicContact CB-CZ 4.03Å; L372-F374 HydrophobicContact CD1-CE2 4.38Å; L372-F374 HydrophobicContact CD1-CZ 4.09Å; L372-F374 HydrophobicContact CD2-CZ 4.15Å; L372-F374 HydrophobicContact CG-CZ 4.35Å; L372-F374 PolarHBondContact O-N 2.92Å; L372-T388 HydrophobicContact CD2-CG2 4.18Å; L372-W390 HydrophobicContact CD2-CZ3 4.24Å | ||
| 373 | H | 92.1 | Very high | 80.3 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | trans | -91.1 | 100.8 | 177.5 | -169.1 | -45.5 | 0 | 0 | 0 | 111.7 | D71 G72 N371 T389 | D71-H373 PolarHBondContact O-CD2 3.46Å; D71-H373 PolarHBondContact O-NE2 3.34Å; G72-H373 WeakPolarHBondContact CA-ND1 3.4Å; N371-H373 PolarHBondContact O-N 3.45Å; H373-T389 WeakPolarHBondContact ND1-CG2 2.94Å; H373-T389 WeakPolarHBondContact O-CG2 3.17Å; H373-T389 PolarHBondContact O-N 2.61Å; H373-T389 PolarHBondContact O-OG1 3.14Å; H373-T389 VanDerWaalsContact O-OG1 3.13Å | ||
| 374 | F | 95.2 | Very high | 80.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.9 | 176.6 | -60.8 | -77.8 | 0 | 0 | 0 | 112.8 | R68 G72 V74 W362 L372 A386 L387 T388 H394 | R68-F374 WeakPolarHBondContact CD-O 3.48Å; R68-F374 PolarHBondContact NH1-O 3.37Å; G72-F374 WeakPolarHBondContact CA-O 3.1Å; G72-F374 WeakPolarHBondContact O-CB 3.43Å; G72-F374 WeakPolarHBondContact O-CD2 3.21Å; G72-F374 PolarHBondContact O-N 3.14Å; V74-F374 HydrophobicContact CB-CD2 3.99Å; V74-F374 HydrophobicContact CB-CE2 4.36Å; V74-F374 HydrophobicContact CG2-CB 3.77Å; V74-F374 HydrophobicContact CG2-CD2 3.47Å; V74-F374 VanDerWaalsContact CG2-CD2 3.47Å; V74-F374 HydrophobicContact CG2-CE2 4.27Å; V74-F374 HydrophobicContact CG2-CG 3.79Å; W362-F374 HydrophobicContact CB-CE2 4.16Å; W362-F374 AromaticContact CD1-CZ 3.93Å; W362-F374 AromaticContact CD2-CE2 3.87Å; W362-F374 HydrophobicContact CD2-CE2 3.87Å; W362-F374 AromaticContact CD2-CZ 3.69Å; W362-F374 HydrophobicContact CD2-CZ 3.69Å; W362-F374 AromaticContact CE2-CZ 3.7Å; W362-F374 HydrophobicContact CE3-CE2 4.34Å; W362-F374 HydrophobicContact CE3-CZ 4.21Å; W362-F374 AromaticContact CG-CE2 3.73Å; W362-F374 HydrophobicContact CG-CE2 3.73Å; W362-F374 AromaticContact CG-CZ 3.91Å; W362-F374 HydrophobicContact CG-CZ 3.91Å; W362-F374 HydrophobicContact CZ2-CZ 4.27Å; W362-F374 AromaticContact NE1-CZ 3.81Å; L372-F374 HydrophobicContact CB-CD2 4.45Å; L372-F374 HydrophobicContact CB-CE2 3.74Å; L372-F374 HydrophobicContact CB-CZ 4.03Å; L372-F374 HydrophobicContact CD1-CE2 4.38Å; L372-F374 HydrophobicContact CD1-CZ 4.09Å; L372-F374 HydrophobicContact CD2-CZ 4.15Å; L372-F374 HydrophobicContact CG-CZ 4.35Å; L372-F374 PolarHBondContact O-N 2.92Å; F374-A386 HydrophobicContact CD1-CB 3.55Å; F374-A386 HydrophobicContact CE1-CB 3.67Å; F374-A386 HydrophobicContact CG-CB 4.21Å; F374-A386 HydrophobicContact CZ-CB 4.4Å; F374-L387 CarbonylContact C-O 3.6Å; F374-L387 WeakPolarHBondContact CA-O 3.33Å; F374-T388 HydrophobicContact CD1-CG2 4.02Å; F374-T388 HydrophobicContact CE1-CG2 3.84Å; F374-H394 HydrophobicContact CE1-CB 3.97Å; F374-H394 AromaticContact CE1-CG 3.86Å |
| 375 | A | 95 | Very high | 81.9 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 22% | 0.223 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -36.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R68 L387 T389 | R68-A375 PolarHBondContact NE-O 2.78Å; A375-L387 PolarHBondContact N-O 3.47Å; A375-T389 HydrophobicContact CB-CG2 4.11Å |
| 376 | H | 96.6 | Very high | 83.4 | Confident | 71 Ų | 71 | 49 Ų | 49 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.3 | -179 | -69.9 | -72.4 | 0 | 0 | 0 | 111.5 | A386 L387 L454 | H376-A386 WeakPolarHBondContact O-CA 3.43Å; H376-L387 HydrophobicContact CB-CB 4.3Å; H376-L387 HydrophobicContact CB-CD2 4.44Å; H376-L387 PolarHBondContact O-N 3.1Å; H376-L454 HydrophobicContact CB-CB 4.25Å |
| 377 | I | 97.7 | Very high | 85.4 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.4 | 166.9 | 58.9 | 171.9 | 0 | 0 | 0 | 111.1 | Q57 V59 R68 V74 L384 V385 A386 | Q57-I377 HydrophobicContact CB-CG1 4.36Å; Q57-I377 HydrophobicContact CG-CG1 4.15Å; Q57-I377 PolarHBondContact NE2-O 3.03Å; V59-I377 HydrophobicContact CG1-CD1 4.26Å; V59-I377 HydrophobicContact CG1-CG1 4.14Å; V59-I377 HydrophobicContact CG2-CD1 3.91Å; V59-I377 HydrophobicContact CG2-CG1 4.45Å; R68-I377 HydrophobicContact CB-CD1 3.99Å; R68-I377 HydrophobicContact CB-CG1 4.16Å; R68-I377 HydrophobicContact CB-CG2 4.35Å; V74-I377 HydrophobicContact CG1-CG2 4.11Å; V74-I377 HydrophobicContact CG2-CG2 3.58Å; I377-L384 HydrophobicContact CB-CD1 4.19Å; I377-V385 CarbonylContact C-O 3.58Å; I377-V385 WeakPolarHBondContact CA-O 3.37Å; I377-A386 HydrophobicContact CG2-CB 4Å |
| 378 | T | 97 | Very high | 87.7 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.3 | 164.8 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | V385 L454 G456 | T378-V385 HydrophobicContact CG2-CB 4Å; T378-V385 PolarHBondContact N-O 2.9Å; T378-V385 PolarHBondContact O-N 2.78Å; T378-L454 HydrophobicContact CG2-CD1 4.02Å; T378-L454 HydrophobicContact CG2-CD2 4.07Å; T378-L454 HydrophobicContact CG2-CG 4Å; T378-G456 WeakPolarHBondContact OG1-CA 3.49Å; T378-G456 PolarHBondContact OG1-N 2.78Å; T378-G456 PolarHBondContact OG1-O 3.02Å |
| 379 | A | 96.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | V59 W398 C457 | V59-A379 HydrophobicContact CB-CB 3.97Å; V59-A379 HydrophobicContact CG2-CB 3.9Å; A379-W398 HydrophobicContact CB-CZ2 3.91Å; A379-C457 CarbonylContact O-C 3.45Å |
| 380 | L | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -90.2 | 171.6 | 160.4 | -57.5 | -175.4 | 0 | 0 | 0 | 109.2 | E383 V385 W398 C457 A461 D475 | L380-E383 HydrophobicContact CB-CG 3.95Å; L380-E383 HydrophobicContact CD1-CG 3.95Å; L380-E383 WeakPolarHBondContact CD1-OE1 3.33Å; L380-E383 HydrophobicContact CG-CG 4.33Å; L380-E383 PolarHBondContact N-O 2.89Å; L380-V385 HydrophobicContact CD1-CG2 3.87Å; L380-V385 HydrophobicContact CG-CG2 4.14Å; L380-W398 PolarHBondContact O-NE1 3Å; L380-C457 WeakPolarHBondContact CD2-O 3.47Å; L380-A461 HydrophobicContact CD1-CB 4.38Å; L380-A461 HydrophobicContact CD2-CB 4.06Å; L380-D475 HydrophobicContact CB-CB 4.36Å; L380-D475 VanDerWaalsContact CB-OD1 3.28Å; L380-D475 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 381 | H | 92.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 28.6 Ų | 28.6 | 22% | 0.222 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -68.6 | -34.8 | -177.4 | -172.4 | 89 | 0 | 0 | 0 | 112.2 | P62 A458 D475 P638 | P62-H381 HydrophobicContact CG-CB 4.43Å; P62-H381 VanDerWaalsContact CG-CE1 3.44Å; P62-H381 WeakPolarHBondContact CG-CE1 3.4Å; P62-H381 WeakPolarHBondContact CG-ND1 3.33Å; H381-A458 WeakPolarHBondContact CB-O 3.43Å; H381-A458 PolarHBondContact N-O 3.32Å; H381-D475 PolarHBondContact N-OD1 2.85Å; H381-P638 HydrophobicContact CB-CG 3.94Å; H381-P638 VanDerWaalsContact ND1-CD 3.27Å; H381-P638 WeakPolarHBondContact ND1-CD 3.31Å |
| 382 | S | 93 | Very high | 94.4 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 16% | 0.161 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -92.9 | -28.4 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 114 | R397 W398 D475 | S382-R397 WeakPolarHBondContact O-CA 3.33Å; S382-W398 PolarHBondContact O-N 3.45Å; S382-D475 WeakPolarHBondContact CB-OD1 3.36Å; S382-D475 PolarHBondContact N-OD1 2.76Å; S382-D475 PolarHBondContact OG-OD1 3.27Å |
| 383 | E | 94.8 | Very high | 95 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.047 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 152.8 | -166.2 | 61.1 | -170.6 | -168.7 | 0 | 0 | 116.4 | L380 V385 Q395 R397 W398 H438 | L380-E383 HydrophobicContact CB-CG 3.95Å; L380-E383 HydrophobicContact CD1-CG 3.95Å; L380-E383 WeakPolarHBondContact CD1-OE1 3.33Å; L380-E383 HydrophobicContact CG-CG 4.33Å; L380-E383 PolarHBondContact N-O 2.89Å; E383-V385 HydrophobicContact CG-CG2 3.98Å; E383-Q395 HydrophobicContact CB-CG 4.34Å; E383-Q395 HydrophobicContact CG-CG 4.45Å; E383-Q395 WeakPolarHBondContact OE2-CG 3.45Å; E383-Q395 PolarHBondContact OE2-NE2 3.15Å; E383-R397 HydrophobicContact CB-CG 4.27Å; E383-W398 VanDerWaalsContact C-CE2 3.41Å; E383-W398 VanDerWaalsContact C-NE1 3.35Å; E383-W398 VanDerWaalsContact N-CD1 3.35Å; E383-W398 PolarHBondContact O-NE1 2.68Å; E383-H438 IonicContact OE1-CE1 2.75Å; E383-H438 PolarHBondContact OE1-CE1 3.16Å; E383-H438 IonicContact OE1-NE2 2.71Å |
| 384 | L | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.8 | 159.6 | -179.6 | 56.9 | 0 | 0 | 0 | 108.4 | V59 A66 V74 W362 I377 W396 W398 | V59-L384 HydrophobicContact CG2-CD1 4.32Å; A66-L384 HydrophobicContact CB-CD1 4.07Å; A66-L384 HydrophobicContact CB-CD2 4.12Å; V74-L384 HydrophobicContact CG1-CD2 3.95Å; W362-L384 HydrophobicContact CE3-CD2 4.29Å; W362-L384 HydrophobicContact CZ3-CD2 3.98Å; W362-L384 HydrophobicContact CZ3-CG 4.2Å; I377-L384 HydrophobicContact CB-CD1 4.19Å; L384-W396 HydrophobicContact CB-CB 4.45Å; L384-W396 WeakPolarHBondContact CB-O 3.42Å; L384-W396 PolarHBondContact N-O 2.87Å; L384-W396 PolarHBondContact O-N 3.28Å; L384-W398 HydrophobicContact CB-CE3 4.45Å; L384-W398 HydrophobicContact CB-CH2 3.52Å; L384-W398 HydrophobicContact CB-CZ2 3.82Å; L384-W398 HydrophobicContact CB-CZ3 3.84Å; L384-W398 HydrophobicContact CD1-CH2 3.95Å; L384-W398 HydrophobicContact CD2-CH2 4.42Å; L384-W398 HydrophobicContact CD2-CZ3 4.44Å; L384-W398 HydrophobicContact CG-CH2 4.15Å |
| 385 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.8 | 172 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | I377 T378 L380 E383 L393 H394 L454 W473 | I377-V385 CarbonylContact C-O 3.58Å; I377-V385 WeakPolarHBondContact CA-O 3.37Å; T378-V385 HydrophobicContact CG2-CB 4Å; T378-V385 PolarHBondContact N-O 2.9Å; T378-V385 PolarHBondContact O-N 2.78Å; L380-V385 HydrophobicContact CD1-CG2 3.87Å; L380-V385 HydrophobicContact CG-CG2 4.14Å; E383-V385 HydrophobicContact CG-CG2 3.98Å; V385-L393 HydrophobicContact CG1-CD1 3.63Å; V385-L393 HydrophobicContact CG1-CD2 4.38Å; V385-L393 HydrophobicContact CG1-CG 3.94Å; V385-H394 WeakPolarHBondContact CA-O 3.45Å; V385-L454 HydrophobicContact CB-CD2 4.5Å; V385-L454 HydrophobicContact CG1-CD1 4.28Å; V385-L454 HydrophobicContact CG1-CD2 3.94Å; V385-W473 HydrophobicContact CG1-CZ2 4.24Å |
| 386 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W362 F374 H376 I377 H394 | W362-A386 HydrophobicContact CE3-CB 4.42Å; W362-A386 HydrophobicContact CH2-CB 4.12Å; W362-A386 HydrophobicContact CZ3-CB 3.8Å; F374-A386 HydrophobicContact CD1-CB 3.55Å; F374-A386 HydrophobicContact CE1-CB 3.67Å; F374-A386 HydrophobicContact CG-CB 4.21Å; F374-A386 HydrophobicContact CZ-CB 4.4Å; H376-A386 WeakPolarHBondContact O-CA 3.43Å; I377-A386 HydrophobicContact CG2-CB 4Å; A386-H394 HydrophobicContact CB-CB 4.34Å; A386-H394 PolarHBondContact N-O 2.86Å; A386-H394 PolarHBondContact O-N 3.37Å |
| 387 | L | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.3 | -178.8 | 169.8 | 59.4 | 0 | 0 | 0 | 109.7 | F374 A375 H376 E392 I451 L454 | F374-L387 CarbonylContact C-O 3.6Å; F374-L387 WeakPolarHBondContact CA-O 3.33Å; A375-L387 PolarHBondContact N-O 3.47Å; H376-L387 HydrophobicContact CB-CB 4.3Å; H376-L387 HydrophobicContact CB-CD2 4.44Å; H376-L387 PolarHBondContact O-N 3.1Å; L387-E392 WeakPolarHBondContact CA-O 3.28Å; L387-E392 WeakPolarHBondContact CD1-O 3.37Å; L387-I451 HydrophobicContact CD1-CB 3.69Å; L387-I451 HydrophobicContact CD1-CG2 3.62Å; L387-I451 HydrophobicContact CD2-CG2 3.79Å; L387-I451 HydrophobicContact CG-CG2 4.37Å; L387-L454 HydrophobicContact CB-CB 4.22Å; L387-L454 HydrophobicContact CB-CD2 3.98Å; L387-L454 HydrophobicContact CD2-CB 3.84Å |
| 388 | T | 94.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 159.6 | 176.3 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | L372 F374 W390 G391 E392 H394 | L372-T388 HydrophobicContact CD2-CG2 4.18Å; F374-T388 HydrophobicContact CD1-CG2 4.02Å; F374-T388 HydrophobicContact CE1-CG2 3.84Å; T388-W390 HydrophobicContact CG2-CE3 4.15Å; T388-W390 HydrophobicContact CG2-CZ3 4.47Å; T388-W390 PolarHBondContact O-N 2.96Å; T388-W390 PolarHBondContact OG1-N 3.21Å; T388-G391 WeakPolarHBondContact O-CA 3.31Å; T388-G391 PolarHBondContact O-N 3.35Å; T388-G391 PolarHBondContact OG1-N 2.88Å; T388-G391 VanDerWaalsContact OG1-N 3.08Å; T388-E392 HydrophobicContact CG2-CB 4.46Å; T388-E392 PolarHBondContact N-O 3.41Å; T388-E392 PolarHBondContact OG1-N 3.27Å; T388-E392 PolarHBondContact OG1-OE2 3.48Å; T388-H394 VanDerWaalsContact CG2-NE2 3.29Å; T388-H394 WeakPolarHBondContact CG2-NE2 3.29Å |
| 389 | T | 93 | Very high | 94.8 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 37% | 0.374 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -64.2 | -24.8 | 168.7 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | H373 A375 G391 K450 | H373-T389 WeakPolarHBondContact ND1-CG2 2.94Å; H373-T389 WeakPolarHBondContact O-CG2 3.17Å; H373-T389 PolarHBondContact O-N 2.61Å; H373-T389 PolarHBondContact O-OG1 3.14Å; H373-T389 VanDerWaalsContact O-OG1 3.13Å; A375-T389 HydrophobicContact CB-CG2 4.11Å; T389-G391 VanDerWaalsContact C-N 3.29Å; T389-K450 PolarHBondContact O-NZ 3.24Å |
| 390 | W | 90.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 27.9 Ų | 27.9 | 46% | 0.458 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -71.6 | -24.5 | 170.5 | -52.1 | -59.6 | 0 | 0 | 0 | 112.4 | L370 N371 L372 T388 K450 | L370-W390 HydrophobicContact CB-CH2 4.48Å; N371-W390 WeakPolarHBondContact O-CH2 3.41Å; L372-W390 HydrophobicContact CD2-CZ3 4.24Å; T388-W390 HydrophobicContact CG2-CE3 4.15Å; T388-W390 HydrophobicContact CG2-CZ3 4.47Å; T388-W390 PolarHBondContact O-N 2.96Å; T388-W390 PolarHBondContact OG1-N 3.21Å; W390-K450 VanDerWaalsContact C-NZ 3.26Å; W390-K450 WeakPolarHBondContact O-CG 3.48Å; W390-K450 PolarHBondContact O-NZ 2.62Å |
| 391 | G | 93.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | trans | 105.1 | 22.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T388 T389 I451 | T388-G391 WeakPolarHBondContact O-CA 3.31Å; T388-G391 PolarHBondContact O-N 3.35Å; T388-G391 PolarHBondContact OG1-N 2.88Å; T388-G391 VanDerWaalsContact OG1-N 3.08Å; T389-G391 VanDerWaalsContact C-N 3.29Å; G391-I451 VanDerWaalsContact CA-O 3.24Å; G391-I451 WeakPolarHBondContact CA-O 2.92Å; G391-I451 VanDerWaalsContact O-CB 3.32Å; G391-I451 WeakPolarHBondContact O-CB 3.19Å; G391-I451 PolarHBondContact O-N 3.44Å | ||
| 392 | E | 92.8 | Very high | 94.2 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | trans | -90.8 | 148.6 | 177.2 | -59.4 | 141.1 | 128.9 | 0 | 0 | 110.6 | L387 T388 | L387-E392 WeakPolarHBondContact CA-O 3.28Å; L387-E392 WeakPolarHBondContact CD1-O 3.37Å; T388-E392 HydrophobicContact CG2-CB 4.46Å; T388-E392 PolarHBondContact N-O 3.41Å; T388-E392 PolarHBondContact OG1-N 3.27Å; T388-E392 PolarHBondContact OG1-OE2 3.48Å | ||
| 393 | L | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.5 | 178.3 | -159.7 | 72.5 | 0 | 0 | 0 | 110.4 | V385 Y437 H438 V441 I451 L454 V463 W473 | V385-L393 HydrophobicContact CG1-CD1 3.63Å; V385-L393 HydrophobicContact CG1-CD2 4.38Å; V385-L393 HydrophobicContact CG1-CG 3.94Å; L393-Y437 CarbonylContact O-C 3.59Å; L393-Y437 WeakPolarHBondContact O-CB 3.41Å; L393-H438 HydrophobicContact CB-CB 4.42Å; L393-H438 HydrophobicContact CD2-CB 4.39Å; L393-H438 WeakPolarHBondContact CD2-CD2 3.49Å; L393-H438 HydrophobicContact CG-CB 4.38Å; L393-H438 VanDerWaalsContact O-CB 3.27Å; L393-H438 WeakPolarHBondContact O-CB 3.46Å; L393-H438 PolarHBondContact O-N 3.07Å; L393-V441 HydrophobicContact CB-CG2 3.99Å; L393-V441 HydrophobicContact CD2-CG2 4.46Å; L393-I451 HydrophobicContact CB-CD1 3.77Å; L393-I451 HydrophobicContact CD1-CD1 4.23Å; L393-I451 HydrophobicContact CG-CD1 4.41Å; L393-L454 HydrophobicContact CD1-CD1 4.22Å; L393-L454 HydrophobicContact CD1-CD2 4.26Å; L393-V463 HydrophobicContact CD1-CG1 4.15Å; L393-W473 HydrophobicContact CD1-CH2 4.39Å; L393-W473 HydrophobicContact CD2-CH2 3.63Å; L393-W473 HydrophobicContact CD2-CZ2 3.89Å; L393-W473 HydrophobicContact CD2-CZ3 4.47Å |
| 394 | H | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 148.8 | -177.7 | -73.5 | -118.8 | 0 | 0 | 0 | 111.1 | W362 F374 V385 A386 T388 Y437 | W362-H394 HydrophobicContact CH2-CB 3.81Å; W362-H394 HydrophobicContact CZ2-CB 3.63Å; F374-H394 HydrophobicContact CE1-CB 3.97Å; F374-H394 AromaticContact CE1-CG 3.86Å; V385-H394 WeakPolarHBondContact CA-O 3.45Å; A386-H394 HydrophobicContact CB-CB 4.34Å; A386-H394 PolarHBondContact N-O 2.86Å; A386-H394 PolarHBondContact O-N 3.37Å; T388-H394 VanDerWaalsContact CG2-NE2 3.29Å; T388-H394 WeakPolarHBondContact CG2-NE2 3.29Å; H394-Y437 CarbonylContact C-O 3.58Å; H394-Y437 WeakPolarHBondContact CA-O 3.25Å; H394-Y437 AromaticContact CE1-CD1 3.33Å; H394-Y437 WeakPolarHBondContact CE1-CD1 3.33Å; H394-Y437 AromaticContact CE1-CD2 3.77Å; H394-Y437 AromaticContact CE1-CE1 3.81Å; H394-Y437 AromaticContact CE1-CG 3.31Å; H394-Y437 AromaticContact ND1-CD1 3.67Å; H394-Y437 AromaticContact ND1-CG 3.69Å; H394-Y437 AromaticContact NE2-CD2 3.65Å; H394-Y437 AromaticContact NE2-CG 3.56Å |
| 395 | Q | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.7 | -171.3 | -174.1 | -104.7 | -30.8 | 0 | 0 | 112.4 | E383 F404 Y437 H438 | E383-Q395 HydrophobicContact CB-CG 4.34Å; E383-Q395 HydrophobicContact CG-CG 4.45Å; E383-Q395 WeakPolarHBondContact OE2-CG 3.45Å; E383-Q395 PolarHBondContact OE2-NE2 3.15Å; Q395-F404 HydrophobicContact CB-CB 4.39Å; Q395-F404 PolarHBondContact O-N 2.73Å; Q395-Y437 PolarHBondContact N-O 2.85Å; Q395-H438 HydrophobicContact CB-CB 3.67Å |
| 396 | W | 96.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 100.9 | 176.3 | -167.2 | 6.3 | 0 | 0 | 0 | 110.6 | R76 E360 F361 W362 L384 D400 T402 P403 | R76-W396 HydrophobicContact CG-CZ3 4.39Å; R76-W396 VanDerWaalsContact CZ-NE1 3.34Å; R76-W396 VanDerWaalsContact NH1-CD1 3.3Å; E360-W396 HydrophobicContact CB-CH2 4.03Å; F361-W396 WeakPolarHBondContact O-CH2 3.49Å; W362-W396 HydrophobicContact CB-CZ3 4.27Å; W362-W396 HydrophobicContact CD2-CE3 4.03Å; W362-W396 HydrophobicContact CD2-CZ3 4.42Å; W362-W396 AromaticContact CE3-CE3 3.7Å; W362-W396 HydrophobicContact CE3-CE3 3.7Å; W362-W396 HydrophobicContact CE3-CZ3 4.31Å; W362-W396 HydrophobicContact CG-CZ3 4.47Å; W362-W396 HydrophobicContact CH2-CB 3.75Å; W362-W396 HydrophobicContact CZ2-CB 4.39Å; W362-W396 HydrophobicContact CZ3-CB 3.94Å; W362-W396 HydrophobicContact CZ3-CE3 4.05Å; L384-W396 HydrophobicContact CB-CB 4.45Å; L384-W396 WeakPolarHBondContact CB-O 3.42Å; L384-W396 PolarHBondContact N-O 2.87Å; L384-W396 PolarHBondContact O-N 3.28Å; W396-D400 PolarHBondContact NE1-O 2.94Å; W396-T402 VanDerWaalsContact CD1-C 3.47Å; W396-T402 VanDerWaalsContact CD1-O 3.23Å; W396-T402 VanDerWaalsContact NE1-C 3.26Å; W396-T402 PolarHBondContact NE1-O 3.43Å; W396-P403 HydrophobicContact CB-CB 4.21Å; W396-P403 HydrophobicContact CD2-CB 4.45Å; W396-P403 HydrophobicContact CD2-CG 3.87Å; W396-P403 HydrophobicContact CE3-CG 4.1Å; W396-P403 HydrophobicContact CG-CB 4.16Å; W396-P403 HydrophobicContact CG-CG 4.09Å |
| 397 | R | 96.3 | Very high | 91.6 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 145 | 174.6 | -93.3 | 159.4 | -171.1 | 156.5 | -3.2 | 112 | R76 S382 E383 G399 D400 E476 | R76-R397 PolarHBondContact NH1-O 2.89Å; S382-R397 WeakPolarHBondContact O-CA 3.33Å; E383-R397 HydrophobicContact CB-CG 4.27Å; R397-G399 PolarHBondContact O-N 3.04Å; R397-D400 HydrophobicContact CB-CB 4.01Å; R397-D400 WeakPolarHBondContact CB-OD2 3.31Å; R397-D400 VanDerWaalsContact CD-OD2 3.25Å; R397-D400 WeakPolarHBondContact CD-OD2 3.4Å; R397-D400 IonicContact NH1-OD2 2.77Å; R397-D400 PolarHBondContact O-N 3.01Å; R397-E476 IonicContact CZ-OE2 2.79Å; R397-E476 VanDerWaalsContact CZ-OE2 3.28Å; R397-E476 IonicContact NE-OE2 3.69Å; R397-E476 PolarHBondContact NE-OE2 2.75Å; R397-E476 IonicContact NH2-OE1 3.82Å; R397-E476 IonicContact NH2-OE2 3.87Å; R397-E476 PolarHBondContact NH2-OE2 3.43Å |
| 398 | W | 94.5 | Very high | 89.5 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -13.8 | 178.9 | -54.9 | 121.2 | 0 | 0 | 0 | 114.3 | S61 H64 A66 R76 A379 L380 S382 E383 L384 | S61-W398 VanDerWaalsContact OG-CE2 3.32Å; H64-W398 HydrophobicContact CB-CD2 4.21Å; H64-W398 HydrophobicContact CB-CE3 3.41Å; H64-W398 VanDerWaalsContact CB-CE3 3.41Å; H64-W398 HydrophobicContact CB-CH2 4.34Å; H64-W398 HydrophobicContact CB-CZ3 3.48Å; H64-W398 VanDerWaalsContact CB-CZ3 3.48Å; H64-W398 PolarHBondContact CE1-O 3.05Å; H64-W398 AromaticContact CG-CE3 3.55Å; H64-W398 AromaticContact ND1-CE3 3.82Å; A66-W398 HydrophobicContact CB-CH2 4.22Å; A66-W398 HydrophobicContact CB-CZ3 4.42Å; R76-W398 HydrophobicContact CB-CZ3 4.42Å; A379-W398 HydrophobicContact CB-CZ2 3.91Å; L380-W398 PolarHBondContact O-NE1 3Å; S382-W398 PolarHBondContact O-N 3.45Å; E383-W398 VanDerWaalsContact C-CE2 3.41Å; E383-W398 VanDerWaalsContact C-NE1 3.35Å; E383-W398 VanDerWaalsContact N-CD1 3.35Å; E383-W398 PolarHBondContact O-NE1 2.68Å; L384-W398 HydrophobicContact CB-CE3 4.45Å; L384-W398 HydrophobicContact CB-CH2 3.52Å; L384-W398 HydrophobicContact CB-CZ2 3.82Å; L384-W398 HydrophobicContact CB-CZ3 3.84Å; L384-W398 HydrophobicContact CD1-CH2 3.95Å; L384-W398 HydrophobicContact CD2-CH2 4.42Å; L384-W398 HydrophobicContact CD2-CZ3 4.44Å; L384-W398 HydrophobicContact CG-CH2 4.15Å |
| 399 | G | 91 | Very high | 87.2 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -14.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R397 | R397-G399 PolarHBondContact O-N 3.04Š|
| 400 | D | 93.7 | Very high | 84.7 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | trans | -96.5 | 134.4 | -169.7 | -63.8 | -0.8 | 0 | 0 | 0 | 109.9 | R76 W396 R397 T402 | R76-D400 PolarHBondContact NH2-O 2.99Å; W396-D400 PolarHBondContact NE1-O 2.94Å; R397-D400 HydrophobicContact CB-CB 4.01Å; R397-D400 WeakPolarHBondContact CB-OD2 3.31Å; R397-D400 VanDerWaalsContact CD-OD2 3.25Å; R397-D400 WeakPolarHBondContact CD-OD2 3.4Å; R397-D400 IonicContact NH1-OD2 2.77Å; R397-D400 PolarHBondContact O-N 3.01Å; D400-T402 VanDerWaalsContact C-N 3.26Å; D400-T402 PolarHBondContact O-N 3.37Å | ||
| 401 | S | 88.8 | Confident | 82.1 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -76.2 | -8.4 | -176.5 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 402 | T | 89.6 | Confident | 79.5 | Confident | 90.5 Ų | 90.5 | 75.5 Ų | 75.5 | 56% | 0.555 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -144.1 | 150.7 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | W396 D400 | W396-T402 VanDerWaalsContact CD1-C 3.47Å; W396-T402 VanDerWaalsContact CD1-O 3.23Å; W396-T402 VanDerWaalsContact NE1-C 3.26Å; W396-T402 PolarHBondContact NE1-O 3.43Å; D400-T402 VanDerWaalsContact C-N 3.26Å; D400-T402 PolarHBondContact O-N 3.37Å |
| 403 | P | 92.3 | Very high | 76.8 | Confident | 24.5 Ų | 24.5 | 81.5 Ų | 81.5 | 16% | 0.159 | 43% | 0.433 | C | S | . | . | trans | -60.8 | 157.5 | 172.2 | -20.7 | 31.3 | 0 | 0 | 0 | 113.1 | W362 P363 W396 | W362-P403 HydrophobicContact CD2-CG 4.24Å; W362-P403 HydrophobicContact CG-CG 4.47Å; W362-P403 HydrophobicContact CH2-CB 4.35Å; W362-P403 HydrophobicContact CZ2-CB 3.54Å; W362-P403 HydrophobicContact CZ2-CG 3.87Å; P363-P403 VanDerWaalsContact CG-CD 3.49Å; P363-P403 HydrophobicContact CG-CG 3.78Å; W396-P403 HydrophobicContact CB-CB 4.21Å; W396-P403 HydrophobicContact CD2-CB 4.45Å; W396-P403 HydrophobicContact CD2-CG 3.87Å; W396-P403 HydrophobicContact CE3-CG 4.1Å; W396-P403 HydrophobicContact CG-CB 4.16Å; W396-P403 HydrophobicContact CG-CG 4.09Å | ||
| 404 | F | 92.9 | Very high | 73.9 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 25% | 0.25 | 48% | 0.476 | C | S | . | . | trans | -70.2 | 135 | 174.3 | 178.1 | -81.8 | 0 | 0 | 0 | 111.5 | Q395 M406 V436 P439 | Q395-F404 HydrophobicContact CB-CB 4.39Å; Q395-F404 PolarHBondContact O-N 2.73Å; F404-M406 HydrophobicContact CE1-CB 3.86Å; F404-M406 HydrophobicContact CZ-CB 3.9Å; F404-V436 HydrophobicContact CE1-CG1 4.32Å; F404-V436 WeakPolarHBondContact CE1-O 3.44Å; F404-P439 HydrophobicContact CD2-CG 4.38Å; F404-P439 HydrophobicContact CE1-CB 4.48Å; F404-P439 HydrophobicContact CE2-CB 4.11Å; F404-P439 HydrophobicContact CE2-CG 4.16Å; F404-P439 HydrophobicContact CZ-CB 3.93Å; F404-P439 HydrophobicContact CZ-CG 4.33Å | ||
| 405 | F | 87 | Confident | 71 | Confident | 106.5 Ų | 106.5 | 97.9 Ų | 97.9 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | trans | -147.7 | 127.2 | 173.7 | 179.3 | -118.7 | 0 | 0 | 0 | 110.3 | R407 A435 Y437 | F405-R407 HydrophobicContact CE1-CB 3.77Å; F405-R407 HydrophobicContact CE2-CB 4.5Å; F405-R407 HydrophobicContact CZ-CB 3.76Å; F405-R407 HydrophobicContact CZ-CG 4.26Å; F405-A435 HydrophobicContact CE2-CB 3.85Å; F405-A435 HydrophobicContact CZ-CB 4.44Å; F405-Y437 AromaticContact CD2-CD1 3.68Å; F405-Y437 HydrophobicContact CD2-CD1 3.68Å; F405-Y437 AromaticContact CD2-CE1 3.43Å; F405-Y437 HydrophobicContact CD2-CE1 3.43Å; F405-Y437 VanDerWaalsContact CD2-CE1 3.43Å; F405-Y437 HydrophobicContact CE2-CD1 4.21Å; F405-Y437 AromaticContact CE2-CE1 3.5Å; F405-Y437 HydrophobicContact CE2-CE1 3.5Å; F405-Y437 VanDerWaalsContact CE2-CE1 3.48Å; F405-Y437 AromaticContact CE2-CZ 3.97Å | ||
| 406 | M | 82.6 | Confident | 68.1 | Low | 104.5 Ų | 104.5 | 105.1 Ų | 105.1 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -126.4 | 117.5 | 173.9 | -173.7 | 177.4 | -174.2 | 0 | 0 | 109.8 | F404 V436 | F404-M406 HydrophobicContact CE1-CB 3.86Å; F404-M406 HydrophobicContact CZ-CB 3.9Å; M406-V436 HydrophobicContact CB-CB 4.33Å; M406-V436 PolarHBondContact N-O 3.25Å; M406-V436 PolarHBondContact O-N 3.32Å |
| 407 | R | 70.2 | Confident | 65.4 | Low | 184 Ų | 184 | 110.5 Ų | 110.5 | 69% | 0.694 | 58% | 0.582 | S | S | * | * | trans | -121.2 | 130.1 | 176.4 | -167.8 | 179.6 | -165.3 | 144.6 | 4.3 | 108.3 | F405 T409 | F405-R407 HydrophobicContact CE1-CB 3.77Å; F405-R407 HydrophobicContact CE2-CB 4.5Å; F405-R407 HydrophobicContact CZ-CB 3.76Å; F405-R407 HydrophobicContact CZ-CG 4.26Å; R407-T409 PolarHBondContact O-N 3.16Å | ||
| 408 | N | 52.8 | Low | 62.6 | Low | 93.5 Ų | 93.5 | 115.6 Ų | 115.6 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | trans | -71.8 | 122.8 | -174.7 | -166.6 | 13 | 0 | 0 | 0 | 111.3 | T410 | N408-T410 VanDerWaalsContact C-N 3.32Å; N408-T410 PolarHBondContact ND2-OG1 2.93Å; N408-T410 PolarHBondContact O-N 3.27Å | ||
| 409 | T | 46 | Very low | 59.7 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | trans | -97.9 | 48.8 | -177.1 | 54 | 0 | 0 | 0 | 0 | 112.4 | R407 N411 | R407-T409 PolarHBondContact O-N 3.16Å; T409-N411 PolarHBondContact O-N 3.42Å | ||
| 410 | T | 41.6 | Very low | 57.1 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | trans | -86.6 | 29 | 175 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | N408 | N408-T410 VanDerWaalsContact C-N 3.32Å; N408-T410 PolarHBondContact ND2-OG1 2.93Å; N408-T410 PolarHBondContact O-N 3.27Å | ||
| 411 | N | 36.3 | Very low | 54.5 | Low | 133.5 Ų | 133.5 | 129.8 Ų | 129.8 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -146.4 | 46.2 | 173.7 | -76.4 | 6.5 | 0 | 0 | 0 | 112.2 | T409 | T409-N411 PolarHBondContact O-N 3.42Š|
| 412 | L | 38.7 | Very low | 51.9 | Low | 160.5 Ų | 160.5 | 132 Ų | 132 | 84% | 0.84 | 66% | 0.659 | S | S | * | * | trans | -137.6 | 54.9 | 172.9 | -79.7 | 179.1 | 0 | 0 | 0 | 112.1 | ||||
| 413 | K | 34.9 | Very low | 49.4 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 87% | 0.87 | 67% | 0.673 | S | S | * | * | trans | -144.2 | 86 | 162.5 | -105.8 | -176.7 | -177.7 | 176.8 | 0 | 111.9 | ||||
| 414 | E | 33.9 | Very low | 46.4 | Very low | 193.5 Ų | 193.5 | 141.5 Ų | 141.5 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | trans | 153.6 | 86.6 | 175.9 | -63.9 | -170.8 | 172.3 | 0 | 0 | 112.8 | ||||
| 415 | D | 36.3 | Very low | 43.5 | Very low | 158.5 Ų | 158.5 | 144 Ų | 144 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -144.9 | 87.4 | 145.9 | -154.3 | -7.6 | 0 | 0 | 0 | 109.5 | ||||
| 416 | N | 33.5 | Very low | 41 | Very low | 152.5 Ų | 152.5 | 144.6 Ų | 144.6 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | trans | -164.6 | 133.1 | 159.4 | -117.2 | -37.5 | 0 | 0 | 0 | 110.5 | ||||
| 417 | D | 39.7 | Very low | 38.4 | Very low | 116.5 Ų | 116.5 | 143.7 Ų | 143.7 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 83.9 | 170.6 | -81.7 | -35.6 | 0 | 0 | 0 | 121.8 | ||||
| 418 | K | 38.7 | Very low | 36.6 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 64 | 111.2 | 121.1 | -64.8 | 179.6 | -172.4 | 80.9 | 0 | 120.6 | |||||
| 419 | K | 32.8 | Very low | 35.7 | Very low | 189.5 Ų | 189.5 | 142.4 Ų | 142.4 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | 90.5 | 136.6 | 120.6 | -128.9 | -168.7 | 174.2 | -172.5 | 0 | 120.4 | |||||
| 420 | I | 36.7 | Very low | 35.2 | Very low | 131.5 Ų | 131.5 | 145 Ų | 145 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | 111.4 | 102.3 | 145.3 | -67.7 | 176 | 0 | 0 | 0 | 117.9 | ||||
| 421 | I | 39.3 | Very low | 35.1 | Very low | 135.5 Ų | 135.5 | 148.7 Ų | 148.7 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | 70.1 | 106.8 | 139 | -59.7 | 175 | 0 | 0 | 0 | 120.2 | ||||
| 422 | D | 33.4 | Very low | 35.5 | Very low | 149.5 Ų | 149.5 | 145.5 Ų | 145.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | 36.4 | 114.1 | 126.9 | -37.4 | -22.3 | 0 | 0 | 0 | 120.5 | |||||
| 423 | S | 37 | Very low | 36.3 | Very low | 122.5 Ų | 122.5 | 145.4 Ų | 145.4 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -153.5 | 136.8 | 136.7 | 49.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 424 | E | 30.5 | Very low | 37.7 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -86.2 | 144.9 | 176.6 | -63.4 | 180 | 115.1 | 0 | 0 | 111.3 | ||||
| 425 | S | 32.7 | Very low | 39.8 | Very low | 108.5 Ų | 108.5 | 132.2 Ų | 132.2 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 124.7 | 127.1 | 156.7 | 52.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 426 | T | 33.5 | Very low | 42.3 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | 120 | 107.2 | 131.2 | -16.4 | 0 | 0 | 0 | 0 | 113.2 | H428 | T426-H428 PolarHBondContact O-N 3.08Å; T426-H428 VanDerWaalsContact O-N 3.13Å | ||
| 427 | G | 28.2 | Very low | 45.1 | Very low | 85.5 Ų | 85.5 | 120.9 Ų | 120.9 | 88% | 0.881 | 67% | 0.671 | S | S | * | * | trans | -72.3 | 101.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 428 | H | 32.3 | Very low | 47.6 | Very low | 171 Ų | 171 | 115.4 Ų | 115.4 | 79% | 0.792 | 64% | 0.642 | S | S | * | * | trans | -94 | 129.4 | 157.9 | -83.5 | -83.1 | 0 | 0 | 0 | 109 | T426 E430 | T426-H428 PolarHBondContact O-N 3.08Å; T426-H428 VanDerWaalsContact O-N 3.13Å; H428-E430 PolarHBondContact O-N 3.13Å | ||
| 429 | A | 34.3 | Very low | 50.1 | Low | 78 Ų | 78 | 109.7 Ų | 109.7 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | trans | -71.4 | 124.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H431 | A429-H431 PolarHBondContact O-CD2 2.87Å; A429-H431 PolarHBondContact O-N 2.99Å | ||
| 430 | E | 34 | Very low | 52.9 | Low | 174.5 Ų | 174.5 | 102.1 Ų | 102.1 | 82% | 0.815 | 59% | 0.589 | S | S | * | * | trans | -67.5 | 96.6 | 167.9 | -66.6 | -169.6 | 153.3 | 0 | 0 | 109.4 | H428 G432 | H428-E430 PolarHBondContact O-N 3.13Å; E430-G432 PolarHBondContact O-N 3.12Å | ||
| 431 | H | 40 | Very low | 55.6 | Low | 173 Ų | 173 | 96.7 Ų | 96.7 | 80% | 0.801 | 56% | 0.562 | S | S | * | * | trans | -73.2 | 71.3 | 170.8 | -81.1 | -88.6 | 0 | 0 | 0 | 110.4 | A429 F433 | A429-H431 PolarHBondContact O-CD2 2.87Å; A429-H431 PolarHBondContact O-N 2.99Å; H431-F433 PolarHBondContact O-N 2.94Å | ||
| 432 | G | 46 | Very low | 58.1 | Low | 67 Ų | 67 | 94.9 Ų | 94.9 | 69% | 0.691 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 124 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E430 | E430-G432 PolarHBondContact O-N 3.12Š|
| 433 | F | 54.3 | Low | 60.7 | Low | 157.5 Ų | 157.5 | 91.7 Ų | 91.7 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 138.5 | -179 | -79.1 | -85.1 | 0 | 0 | 0 | 111.5 | H431 | H431-F433 PolarHBondContact O-N 2.94Š|
| 434 | P | 64.6 | Low | 63.4 | Low | 81 Ų | 81 | 86.1 Ų | 86.1 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 154.7 | 174.9 | 27.4 | -34.7 | 0 | 0 | 0 | 111 | ||
| 435 | A | 79 | Confident | 66.4 | Low | 35.5 Ų | 35.5 | 78.7 Ų | 78.7 | 29% | 0.293 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -65 | 139.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F405 Y437 | F405-A435 HydrophobicContact CE2-CB 3.85Å; F405-A435 HydrophobicContact CZ-CB 4.44Å; A435-Y437 HydrophobicContact CB-CE2 3.94Å |
| 436 | V | 88 | Confident | 69.3 | Low | 18.5 Ų | 18.5 | 73.8 Ų | 73.8 | 11% | 0.112 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -108.3 | 118.2 | -176.5 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | F404 M406 H438 V441 L442 | F404-V436 HydrophobicContact CE1-CG1 4.32Å; F404-V436 WeakPolarHBondContact CE1-O 3.44Å; M406-V436 HydrophobicContact CB-CB 4.33Å; M406-V436 PolarHBondContact N-O 3.25Å; M406-V436 PolarHBondContact O-N 3.32Å; V436-H438 VanDerWaalsContact CG1-O 3.28Å; V436-H438 WeakPolarHBondContact CG1-O 3.44Å; V436-V441 HydrophobicContact CG1-CB 4.28Å; V436-L442 HydrophobicContact CG2-CD2 4.38Å; V436-L442 HydrophobicContact CG2-CG 4.44Å |
| 437 | Y | 91.4 | Very high | 72 | Confident | 56.5 Ų | 56.5 | 70.1 Ų | 70.1 | 22% | 0.222 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -102.8 | -1.5 | -176 | -57.6 | -82.8 | 0 | 0 | 0 | 114.1 | L393 H394 Q395 F405 A435 | L393-Y437 CarbonylContact O-C 3.59Å; L393-Y437 WeakPolarHBondContact O-CB 3.41Å; H394-Y437 CarbonylContact C-O 3.58Å; H394-Y437 WeakPolarHBondContact CA-O 3.25Å; H394-Y437 AromaticContact CE1-CD1 3.33Å; H394-Y437 WeakPolarHBondContact CE1-CD1 3.33Å; H394-Y437 AromaticContact CE1-CD2 3.77Å; H394-Y437 AromaticContact CE1-CE1 3.81Å; H394-Y437 AromaticContact CE1-CG 3.31Å; H394-Y437 AromaticContact ND1-CD1 3.67Å; H394-Y437 AromaticContact ND1-CG 3.69Å; H394-Y437 AromaticContact NE2-CD2 3.65Å; H394-Y437 AromaticContact NE2-CG 3.56Å; Q395-Y437 PolarHBondContact N-O 2.85Å; F405-Y437 AromaticContact CD2-CD1 3.68Å; F405-Y437 HydrophobicContact CD2-CD1 3.68Å; F405-Y437 AromaticContact CD2-CE1 3.43Å; F405-Y437 HydrophobicContact CD2-CE1 3.43Å; F405-Y437 VanDerWaalsContact CD2-CE1 3.43Å; F405-Y437 HydrophobicContact CE2-CD1 4.21Å; F405-Y437 AromaticContact CE2-CE1 3.5Å; F405-Y437 HydrophobicContact CE2-CE1 3.5Å; F405-Y437 VanDerWaalsContact CE2-CE1 3.48Å; F405-Y437 AromaticContact CE2-CZ 3.97Å; A435-Y437 HydrophobicContact CB-CE2 3.94Å |
| 438 | H | 93.8 | Very high | 75 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -151.3 | 127.8 | 171.5 | -178.6 | -12.7 | 0 | 0 | 0 | 109 | E383 L393 Q395 V436 R440 V441 W473 | E383-H438 IonicContact OE1-CE1 2.75Å; E383-H438 PolarHBondContact OE1-CE1 3.16Å; E383-H438 IonicContact OE1-NE2 2.71Å; L393-H438 HydrophobicContact CB-CB 4.42Å; L393-H438 HydrophobicContact CD2-CB 4.39Å; L393-H438 WeakPolarHBondContact CD2-CD2 3.49Å; L393-H438 HydrophobicContact CG-CB 4.38Å; L393-H438 VanDerWaalsContact O-CB 3.27Å; L393-H438 WeakPolarHBondContact O-CB 3.46Å; L393-H438 PolarHBondContact O-N 3.07Å; Q395-H438 HydrophobicContact CB-CB 3.67Å; V436-H438 VanDerWaalsContact CG1-O 3.28Å; V436-H438 WeakPolarHBondContact CG1-O 3.44Å; H438-R440 VanDerWaalsContact C-N 3.26Å; H438-R440 PolarHBondContact O-N 3.07Å; H438-R440 VanDerWaalsContact O-N 3.13Å; H438-V441 HydrophobicContact CB-CG2 4.06Å; H438-V441 WeakPolarHBondContact O-CB 3.36Å; H438-V441 VanDerWaalsContact O-CG2 3.32Å; H438-V441 WeakPolarHBondContact O-CG2 3.48Å; H438-V441 PolarHBondContact O-N 3.27Å; H438-V441 VanDerWaalsContact O-N 3.1Å; H438-W473 AromaticContact NE2-CZ2 3.75Å; H438-W473 AromaticContact NE2-NE1 3.91Å |
| 439 | P | 91.1 | Very high | 77.9 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.5 | -170.6 | 18.9 | -33.3 | 0 | 0 | 0 | 114.6 | F404 V441 | F404-P439 HydrophobicContact CD2-CG 4.38Å; F404-P439 HydrophobicContact CE1-CB 4.48Å; F404-P439 HydrophobicContact CE2-CB 4.11Å; F404-P439 HydrophobicContact CE2-CG 4.16Å; F404-P439 HydrophobicContact CZ-CB 3.93Å; F404-P439 HydrophobicContact CZ-CG 4.33Å; P439-V441 PolarHBondContact O-N 2.87Å |
| 440 | R | 91.4 | Very high | 80.8 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.1 | -10.2 | -179.3 | -62.4 | -74.1 | -80.6 | -179.6 | -1.4 | 113.8 | H438 L442 E443 L444 E498 | H438-R440 VanDerWaalsContact C-N 3.26Å; H438-R440 PolarHBondContact O-N 3.07Å; H438-R440 VanDerWaalsContact O-N 3.13Å; R440-L442 VanDerWaalsContact C-N 3.34Å; R440-L442 PolarHBondContact O-N 2.8Å; R440-E443 IonicContact CZ-OE1 3.75Å; R440-E443 IonicContact CZ-OE2 3.15Å; R440-E443 IonicContact NE-OE2 3Å; R440-E443 IonicContact NH1-OE1 3.43Å; R440-E443 PolarHBondContact NH1-OE1 3.05Å; R440-E443 IonicContact NH1-OE2 2.85Å; R440-E443 PolarHBondContact NH1-OE2 2.78Å; R440-E443 IonicContact NH2-OE1 3.32Å; R440-E443 PolarHBondContact O-N 3.2Å; R440-L444 HydrophobicContact CB-CD1 3.91Å; R440-L444 HydrophobicContact CB-CG 4.24Å; R440-L444 VanDerWaalsContact O-CB 3.29Å; R440-L444 WeakPolarHBondContact O-CB 3.22Å; R440-L444 VanDerWaalsContact O-CG 3.27Å; R440-L444 WeakPolarHBondContact O-CG 3.27Å; R440-L444 PolarHBondContact O-N 3.34Å; R440-E498 IonicContact CZ-OE1 2.63Å; R440-E498 IonicContact CZ-OE2 3.12Å; R440-E498 IonicContact NH2-OE1 3.51Å; R440-E498 PolarHBondContact NH2-OE1 3.02Å; R440-E498 IonicContact NH2-OE2 3.25Å; R440-E498 PolarHBondContact NH2-OE2 3.08Å |
| 441 | V | 92.7 | Very high | 83.7 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | -177.4 | 167.1 | 0 | 0 | 0 | 0 | 112.4 | L393 V436 H438 P439 G445 L446 A447 | L393-V441 HydrophobicContact CB-CG2 3.99Å; L393-V441 HydrophobicContact CD2-CG2 4.46Å; V436-V441 HydrophobicContact CG1-CB 4.28Å; H438-V441 HydrophobicContact CB-CG2 4.06Å; H438-V441 WeakPolarHBondContact O-CB 3.36Å; H438-V441 VanDerWaalsContact O-CG2 3.32Å; H438-V441 WeakPolarHBondContact O-CG2 3.48Å; H438-V441 PolarHBondContact O-N 3.27Å; H438-V441 VanDerWaalsContact O-N 3.1Å; P439-V441 PolarHBondContact O-N 2.87Å; V441-G445 PolarHBondContact O-N 3.21Å; V441-L446 HydrophobicContact CG1-CB 4.13Å; V441-L446 PolarHBondContact O-N 3Å; V441-A447 HydrophobicContact CG1-CB 4.37Å |
| 442 | L | 91.1 | Very high | 86.4 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 52% | 0.518 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 176.7 | -61.7 | 176.8 | 0 | 0 | 0 | 111 | V436 R440 L444 G445 A447 | V436-L442 HydrophobicContact CG2-CD2 4.38Å; V436-L442 HydrophobicContact CG2-CG 4.44Å; R440-L442 VanDerWaalsContact C-N 3.34Å; R440-L442 PolarHBondContact O-N 2.8Å; L442-L444 VanDerWaalsContact C-N 3.32Å; L442-L444 PolarHBondContact O-N 3.02Å; L442-G445 PolarHBondContact O-N 3.06Å; L442-G445 VanDerWaalsContact O-N 3.13Å; L442-A447 HydrophobicContact CD2-CB 4.23Å |
| 443 | E | 89.7 | Confident | 88.8 | Confident | 81.5 Ų | 81.5 | 54.7 Ų | 54.7 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -33.8 | -177.3 | -167 | -174.1 | 158.2 | 0 | 0 | 112.9 | R440 G445 Q500 | R440-E443 IonicContact CZ-OE1 3.75Å; R440-E443 IonicContact CZ-OE2 3.15Å; R440-E443 IonicContact NE-OE2 3Å; R440-E443 IonicContact NH1-OE1 3.43Å; R440-E443 PolarHBondContact NH1-OE1 3.05Å; R440-E443 IonicContact NH1-OE2 2.85Å; R440-E443 PolarHBondContact NH1-OE2 2.78Å; R440-E443 IonicContact NH2-OE1 3.32Å; R440-E443 PolarHBondContact O-N 3.2Å; E443-G445 VanDerWaalsContact C-N 3.32Å; E443-Q500 WeakPolarHBondContact O-CG 3.29Å; E443-Q500 PolarHBondContact O-NE2 3.35Å |
| 444 | L | 92.9 | Very high | 90.9 | Very high | 4.5 Ų | 4.5 | 47.8 Ų | 47.8 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.6 | 177.4 | -66.2 | 174.3 | 0 | 0 | 0 | 113.6 | R440 L442 L446 A471 W473 Q500 A501 | R440-L444 HydrophobicContact CB-CD1 3.91Å; R440-L444 HydrophobicContact CB-CG 4.24Å; R440-L444 VanDerWaalsContact O-CB 3.29Å; R440-L444 WeakPolarHBondContact O-CB 3.22Å; R440-L444 VanDerWaalsContact O-CG 3.27Å; R440-L444 WeakPolarHBondContact O-CG 3.27Å; R440-L444 PolarHBondContact O-N 3.34Å; L442-L444 VanDerWaalsContact C-N 3.32Å; L442-L444 PolarHBondContact O-N 3.02Å; L444-L446 HydrophobicContact CB-CD1 3.7Å; L444-L446 HydrophobicContact CB-CG 3.87Å; L444-L446 HydrophobicContact CD1-CD1 3.93Å; L444-L446 HydrophobicContact CG-CD1 4.49Å; L444-A471 HydrophobicContact CB-CB 4.22Å; L444-A471 HydrophobicContact CD2-CB 4.46Å; L444-W473 HydrophobicContact CD1-CB 4.29Å; L444-W473 HydrophobicContact CD1-CD2 3.85Å; L444-W473 HydrophobicContact CD1-CE3 3.54Å; L444-W473 HydrophobicContact CD1-CG 4.21Å; L444-W473 HydrophobicContact CD1-CZ3 4.12Å; L444-W473 HydrophobicContact CD2-CB 4.29Å; L444-Q500 CarbonylContact O-C 3.43Å; L444-Q500 WeakPolarHBondContact O-CA 3.32Å; L444-Q500 WeakPolarHBondContact O-CB 3.16Å; L444-A501 PolarHBondContact O-N 3.1Å |
| 445 | G | 92.8 | Very high | 92.4 | Very high | 37.5 Ų | 37.5 | 44.9 Ų | 44.9 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 38 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V441 L442 E443 | V441-G445 PolarHBondContact O-N 3.21Å; L442-G445 PolarHBondContact O-N 3.06Å; L442-G445 VanDerWaalsContact O-N 3.13Å; E443-G445 VanDerWaalsContact C-N 3.32Å |
| 446 | L | 93.8 | Very high | 93.2 | Very high | 5.5 Ų | 5.5 | 44.1 Ų | 44.1 | 3% | 0.029 | 24% | 0.242 | C | C | . | . | trans | -103.8 | -2.6 | -175.7 | -67.1 | 170.8 | 0 | 0 | 0 | 114 | V441 L444 D448 E449 I451 V463 T465 A471 A501 | V441-L446 HydrophobicContact CG1-CB 4.13Å; V441-L446 PolarHBondContact O-N 3Å; L444-L446 HydrophobicContact CB-CD1 3.7Å; L444-L446 HydrophobicContact CB-CG 3.87Å; L444-L446 HydrophobicContact CD1-CD1 3.93Å; L444-L446 HydrophobicContact CG-CD1 4.49Å; L446-D448 VanDerWaalsContact C-N 3.32Å; L446-D448 PolarHBondContact O-N 3.27Å; L446-E449 HydrophobicContact CD2-CB 4.35Å; L446-E449 PolarHBondContact O-N 2.77Å; L446-E449 VanDerWaalsContact O-N 3.14Å; L446-I451 HydrophobicContact CD1-CD1 4.22Å; L446-I451 HydrophobicContact CD2-CG1 4.41Å; L446-V463 HydrophobicContact CD1-CG2 3.84Å; L446-V463 HydrophobicContact CD2-CG2 4.03Å; L446-T465 HydrophobicContact CD2-CG2 3.73Å; L446-A471 HydrophobicContact CD1-CB 4.16Å; L446-A471 HydrophobicContact CD2-CB 4.06Å; L446-A471 HydrophobicContact CG-CB 4.3Å; L446-A501 HydrophobicContact CD2-CB 4.05Å | ||
| 447 | A | 90.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 44 Ų | 44 | 35% | 0.347 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -38.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V441 L442 | V441-A447 HydrophobicContact CG1-CB 4.37Å; L442-A447 HydrophobicContact CD2-CB 4.23Å |
| 448 | D | 90.8 | Very high | 93.3 | Very high | 160.5 Ų | 160.5 | 43 Ų | 43 | 86% | 0.858 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 10.3 | 179.5 | -51.8 | -64.7 | 0 | 0 | 0 | 113 | L446 | L446-D448 VanDerWaalsContact C-N 3.32Å; L446-D448 PolarHBondContact O-N 3.27Å |
| 449 | E | 93.4 | Very high | 93.2 | Very high | 21.5 Ų | 21.5 | 43.1 Ų | 43.1 | 10% | 0.1 | 25% | 0.246 | C | C | . | . | trans | -115.9 | 115 | -171.1 | -74.5 | -70.8 | 161.2 | 0 | 0 | 112.4 | L446 I451 T465 T467 K469 | L446-E449 HydrophobicContact CD2-CB 4.35Å; L446-E449 PolarHBondContact O-N 2.77Å; L446-E449 VanDerWaalsContact O-N 3.14Å; E449-I451 PolarHBondContact O-N 3.24Å; E449-I451 VanDerWaalsContact O-N 3.1Å; E449-T465 HydrophobicContact CB-CG2 3.74Å; E449-T465 HydrophobicContact CG-CG2 4.13Å; E449-T465 VanDerWaalsContact OE2-CB 3.28Å; E449-T465 WeakPolarHBondContact OE2-CB 3.36Å; E449-T465 PolarHBondContact OE2-OG1 3.05Å; E449-T467 VanDerWaalsContact CD-OG1 3.24Å; E449-T467 PolarHBondContact OE1-OG1 3.22Å; E449-T467 VanDerWaalsContact OE1-OG1 3.1Å; E449-T467 WeakPolarHBondContact OE2-CB 3.35Å; E449-T467 VanDerWaalsContact OE2-CG2 3.32Å; E449-T467 WeakPolarHBondContact OE2-CG2 3.44Å; E449-T467 PolarHBondContact OE2-OG1 3Å; E449-K469 WeakPolarHBondContact OE1-CD 3.44Å; E449-K469 VanDerWaalsContact OE1-CE 3.27Å; E449-K469 WeakPolarHBondContact OE1-CE 3.32Å; E449-K469 IonicContact OE1-NZ 3.43Å; E449-K469 PolarHBondContact OE1-NZ 3.23Å | ||
| 450 | K | 95.1 | Very high | 93.3 | Very high | 104.5 Ų | 104.5 | 40.5 Ų | 40.5 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | trans | -65 | 112.7 | 169.3 | 178.3 | 173.1 | 176.6 | 105 | 0 | 110 | T389 W390 I452 T465 A466 | T389-K450 PolarHBondContact O-NZ 3.24Å; W390-K450 VanDerWaalsContact C-NZ 3.26Å; W390-K450 WeakPolarHBondContact O-CG 3.48Å; W390-K450 PolarHBondContact O-NZ 2.62Å; K450-I452 HydrophobicContact CG-CG2 4.39Å; K450-T465 CarbonylContact O-C 3.57Å; K450-T465 WeakPolarHBondContact O-CA 3.4Å; K450-A466 HydrophobicContact CB-CB 4.16Å; K450-A466 HydrophobicContact CG-CB 4.49Å; K450-A466 PolarHBondContact O-N 3.22Å | ||
| 451 | I | 96.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137 | 173.6 | -59.2 | 163.5 | 0 | 0 | 0 | 109.3 | L387 G391 L393 L446 E449 V463 | L387-I451 HydrophobicContact CD1-CB 3.69Å; L387-I451 HydrophobicContact CD1-CG2 3.62Å; L387-I451 HydrophobicContact CD2-CG2 3.79Å; L387-I451 HydrophobicContact CG-CG2 4.37Å; G391-I451 VanDerWaalsContact CA-O 3.24Å; G391-I451 WeakPolarHBondContact CA-O 2.92Å; G391-I451 VanDerWaalsContact O-CB 3.32Å; G391-I451 WeakPolarHBondContact O-CB 3.19Å; G391-I451 PolarHBondContact O-N 3.44Å; L393-I451 HydrophobicContact CB-CD1 3.77Å; L393-I451 HydrophobicContact CD1-CD1 4.23Å; L393-I451 HydrophobicContact CG-CD1 4.41Å; L446-I451 HydrophobicContact CD1-CD1 4.22Å; L446-I451 HydrophobicContact CD2-CG1 4.41Å; E449-I451 PolarHBondContact O-N 3.24Å; E449-I451 VanDerWaalsContact O-N 3.1Å; I451-V463 HydrophobicContact CD1-CG1 4.38Å; I451-V463 HydrophobicContact CD1-CG2 4.49Å; I451-V463 HydrophobicContact CG1-CB 4.48Å; I451-V463 HydrophobicContact CG2-CB 3.81Å; I451-V463 HydrophobicContact CG2-CG1 3.85Å |
| 452 | I | 96 | Very high | 93.8 | Very high | 74.5 Ų | 74.5 | 38.2 Ų | 38.2 | 38% | 0.382 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -20 | -178.1 | 62 | 165.5 | 0 | 0 | 0 | 114.1 | K450 L464 A466 | K450-I452 HydrophobicContact CG-CG2 4.39Å; I452-L464 HydrophobicContact CD1-CD2 4.19Å; I452-L464 HydrophobicContact CD1-CG 4.11Å; I452-L464 HydrophobicContact CG1-CD2 4.47Å; I452-L464 HydrophobicContact CG1-CG 4.04Å; I452-L464 VanDerWaalsContact CG1-O 3.28Å; I452-L464 WeakPolarHBondContact CG1-O 3.44Å; I452-L464 PolarHBondContact N-O 3.16Å; I452-A466 HydrophobicContact CG2-CB 3.91Å |
| 453 | K | 96.2 | Very high | 94.2 | Very high | 58.5 Ų | 58.5 | 33.5 Ų | 33.5 | 25% | 0.254 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 142 | 174.1 | -61 | -179.6 | -171.7 | -132.5 | 0 | 110.2 | V463 L464 V512 I513 I515 | K453-V463 VanDerWaalsContact O-CA 3.29Å; K453-V463 WeakPolarHBondContact O-CA 3.4Å; K453-L464 HydrophobicContact CB-CB 4.35Å; K453-L464 HydrophobicContact CD-CD2 4.3Å; K453-L464 PolarHBondContact N-O 3.08Å; K453-L464 PolarHBondContact O-N 3.22Å; K453-V512 PolarHBondContact NZ-O 2.92Å; K453-I513 WeakPolarHBondContact CE-O 3.36Å; K453-I513 PolarHBondContact NZ-O 3Å; K453-I515 HydrophobicContact CB-CD1 3.85Å; K453-I515 HydrophobicContact CD-CD1 4.15Å; K453-I515 HydrophobicContact CD-CG1 4.37Å |
| 454 | L | 97.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.2 | 173.2 | 171.1 | 63.6 | 0 | 0 | 0 | 108.4 | H376 T378 V385 L387 L393 V463 W473 | H376-L454 HydrophobicContact CB-CB 4.25Å; T378-L454 HydrophobicContact CG2-CD1 4.02Å; T378-L454 HydrophobicContact CG2-CD2 4.07Å; T378-L454 HydrophobicContact CG2-CG 4Å; V385-L454 HydrophobicContact CB-CD2 4.5Å; V385-L454 HydrophobicContact CG1-CD1 4.28Å; V385-L454 HydrophobicContact CG1-CD2 3.94Å; L387-L454 HydrophobicContact CB-CB 4.22Å; L387-L454 HydrophobicContact CB-CD2 3.98Å; L387-L454 HydrophobicContact CD2-CB 3.84Å; L393-L454 HydrophobicContact CD1-CD1 4.22Å; L393-L454 HydrophobicContact CD1-CD2 4.26Å; L454-V463 HydrophobicContact CB-CG1 4.38Å; L454-V463 HydrophobicContact CD1-CG1 3.67Å; L454-W473 HydrophobicContact CD1-CH2 4.1Å |
| 455 | S | 96.8 | Very high | 94.7 | Very high | 19.5 Ų | 19.5 | 29.9 Ų | 29.9 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139 | 171 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | A461 T462 I515 T517 | S455-A461 CarbonylContact O-C 3.47Å; S455-A461 WeakPolarHBondContact O-CA 3.32Å; S455-T462 PolarHBondContact N-O 3.41Å; S455-T462 PolarHBondContact O-N 3.33Å; S455-I515 WeakPolarHBondContact CB-O 3.22Å; S455-I515 PolarHBondContact OG-O 3.25Å; S455-T517 PolarHBondContact OG-N 3.17Å; S455-T517 PolarHBondContact OG-OG1 2.7Å |
| 456 | G | 94.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 166.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T378 R460 T517 | T378-G456 WeakPolarHBondContact OG1-CA 3.49Å; T378-G456 PolarHBondContact OG1-N 2.78Å; T378-G456 PolarHBondContact OG1-O 3.02Å; G456-R460 CarbonylContact C-O 3.5Å; G456-R460 VanDerWaalsContact CA-O 3.27Å; G456-R460 WeakPolarHBondContact CA-O 3.3Å; G456-T517 WeakPolarHBondContact CA-OG1 3.42Å; G456-T517 PolarHBondContact N-OG1 3.26Å; G456-T517 VanDerWaalsContact N-OG1 3.1Å; G456-T517 PolarHBondContact O-OG1 3.28Å |
| 457 | C | 92.7 | Very high | 94.8 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 169.4 | 177.4 | 64.7 | 0 | 0 | 0 | 0 | 108 | A379 L380 T459 R460 T517 P519 | A379-C457 CarbonylContact O-C 3.45Å; L380-C457 WeakPolarHBondContact CD2-O 3.47Å; C457-T459 PolarHBondContact O-N 2.99Å; C457-R460 PolarHBondContact N-O 3.13Å; C457-R460 PolarHBondContact O-N 2.9Å; C457-R460 VanDerWaalsContact O-O 3.12Å; C457-R460 PolarHBondContact SG-O 2.97Å; C457-T517 WeakPolarHBondContact CB-O 3.32Å; C457-P519 VanDerWaalsContact SG-N 3.37Å |
| 458 | A | 90 | Very high | 95 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -23.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | H381 | H381-A458 WeakPolarHBondContact CB-O 3.43Å; H381-A458 PolarHBondContact N-O 3.32Å |
| 459 | T | 91.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -0.6 | 178.2 | 68.6 | 0 | 0 | 0 | 0 | 115.8 | C457 M474 D475 L478 P519 V633 P638 | C457-T459 PolarHBondContact O-N 2.99Å; T459-M474 VanDerWaalsContact O-CA 3.29Å; T459-M474 WeakPolarHBondContact O-CA 3.25Å; T459-M474 WeakPolarHBondContact O-CE 3.49Å; T459-D475 PolarHBondContact O-N 2.83Å; T459-L478 HydrophobicContact CG2-CD1 4.14Å; T459-P519 WeakPolarHBondContact OG1-CA 3.31Å; T459-P519 VanDerWaalsContact OG1-CB 3.26Å; T459-P519 WeakPolarHBondContact OG1-CB 3.27Å; T459-P519 PolarHBondContact OG1-O 3.11Å; T459-P519 VanDerWaalsContact OG1-O 3.11Å; T459-V633 HydrophobicContact CG2-CG1 3.85Å; T459-P638 HydrophobicContact CG2-CB 3.79Å; T459-P638 HydrophobicContact CG2-CG 4.03Å |
| 460 | R | 93.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 134.3 | -173 | 178.2 | -176.8 | -65.2 | -78.4 | 4.4 | 111.5 | G456 C457 T472 W473 M474 I497 P519 L520 T522 | G456-R460 CarbonylContact C-O 3.5Å; G456-R460 VanDerWaalsContact CA-O 3.27Å; G456-R460 WeakPolarHBondContact CA-O 3.3Å; C457-R460 PolarHBondContact N-O 3.13Å; C457-R460 PolarHBondContact O-N 2.9Å; C457-R460 VanDerWaalsContact O-O 3.12Å; C457-R460 PolarHBondContact SG-O 2.97Å; R460-T472 HydrophobicContact CG-CG2 4.25Å; R460-T472 VanDerWaalsContact NH1-CG2 3.32Å; R460-W473 WeakPolarHBondContact CA-O 3.42Å; R460-M474 HydrophobicContact CB-SD 4Å; R460-M474 HydrophobicContact CG-SD 4.22Å; R460-M474 VanDerWaalsContact CZ-SD 3.56Å; R460-M474 PolarHBondContact NH2-SD 3.03Å; R460-I497 PolarHBondContact NH1-O 3.34Å; R460-I497 VanDerWaalsContact NH1-O 3.07Å; R460-I497 VanDerWaalsContact NH2-CG2 3.3Å; R460-P519 PolarHBondContact NE-O 3.32Å; R460-L520 PolarHBondContact NE-O 2.94Å; R460-L520 PolarHBondContact NH2-O 3.32Å; R460-T522 WeakPolarHBondContact CD-OG1 3.34Å |
| 461 | A | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 155 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112 | L380 S455 T472 W473 | L380-A461 HydrophobicContact CD1-CB 4.38Å; L380-A461 HydrophobicContact CD2-CB 4.06Å; S455-A461 CarbonylContact O-C 3.47Å; S455-A461 WeakPolarHBondContact O-CA 3.32Å; A461-T472 WeakPolarHBondContact O-CA 3.38Å; A461-T472 WeakPolarHBondContact O-CG2 3.49Å; A461-W473 HydrophobicContact CB-CD2 3.93Å; A461-W473 HydrophobicContact CB-CE3 4.07Å; A461-W473 HydrophobicContact CB-CH2 3.66Å; A461-W473 HydrophobicContact CB-CZ2 3.5Å; A461-W473 VanDerWaalsContact CB-CZ2 3.47Å; A461-W473 HydrophobicContact CB-CZ3 3.94Å; A461-W473 PolarHBondContact N-O 3.3Å; A461-W473 PolarHBondContact O-N 3.37Å; A461-W473 VanDerWaalsContact O-N 3.15Å |
| 462 | T | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 136.5 | 171.6 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | S455 F470 A471 T472 I515 T522 W534 | S455-T462 PolarHBondContact N-O 3.41Å; S455-T462 PolarHBondContact O-N 3.33Å; T462-F470 HydrophobicContact CG2-CD1 3.98Å; T462-A471 WeakPolarHBondContact CA-O 3.43Å; T462-T472 WeakPolarHBondContact CG2-OG1 3.44Å; T462-T472 WeakPolarHBondContact OG1-CG2 3.38Å; T462-T472 PolarHBondContact OG1-OG1 3.22Å; T462-I515 HydrophobicContact CG2-CG2 4.24Å; T462-T522 HydrophobicContact CG2-CG2 4.08Å; T462-T522 PolarHBondContact OG1-OG1 3.45Å; T462-W534 HydrophobicContact CG2-CH2 4.45Å; T462-W534 HydrophobicContact CG2-CZ2 3.9Å |
| 463 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 153.1 | 170.4 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | L393 L446 I451 K453 L454 F470 A471 W473 | L393-V463 HydrophobicContact CD1-CG1 4.15Å; L446-V463 HydrophobicContact CD1-CG2 3.84Å; L446-V463 HydrophobicContact CD2-CG2 4.03Å; I451-V463 HydrophobicContact CD1-CG1 4.38Å; I451-V463 HydrophobicContact CD1-CG2 4.49Å; I451-V463 HydrophobicContact CG1-CB 4.48Å; I451-V463 HydrophobicContact CG2-CB 3.81Å; I451-V463 HydrophobicContact CG2-CG1 3.85Å; K453-V463 VanDerWaalsContact O-CA 3.29Å; K453-V463 WeakPolarHBondContact O-CA 3.4Å; L454-V463 HydrophobicContact CB-CG1 4.38Å; L454-V463 HydrophobicContact CD1-CG1 3.67Å; V463-F470 WeakPolarHBondContact O-CA 3.41Å; V463-A471 HydrophobicContact CG2-CB 3.84Å; V463-A471 PolarHBondContact N-O 3.03Å; V463-A471 PolarHBondContact O-N 2.93Å; V463-W473 HydrophobicContact CB-CZ3 4.5Å; V463-W473 HydrophobicContact CG1-CH2 3.89Å; V463-W473 HydrophobicContact CG1-CZ3 3.86Å; V463-W473 HydrophobicContact CG2-CZ3 4.14Å |
| 464 | L | 97.4 | Very high | 95.1 | Very high | 9.5 Ų | 9.5 | 17.6 Ų | 17.6 | 5% | 0.05 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.5 | 166 | 170.1 | 61.8 | 0 | 0 | 0 | 108.8 | I452 K453 K469 F470 V512 I515 | I452-L464 HydrophobicContact CD1-CD2 4.19Å; I452-L464 HydrophobicContact CD1-CG 4.11Å; I452-L464 HydrophobicContact CG1-CD2 4.47Å; I452-L464 HydrophobicContact CG1-CG 4.04Å; I452-L464 VanDerWaalsContact CG1-O 3.28Å; I452-L464 WeakPolarHBondContact CG1-O 3.44Å; I452-L464 PolarHBondContact N-O 3.16Å; K453-L464 HydrophobicContact CB-CB 4.35Å; K453-L464 HydrophobicContact CD-CD2 4.3Å; K453-L464 PolarHBondContact N-O 3.08Å; K453-L464 PolarHBondContact O-N 3.22Å; L464-K469 WeakPolarHBondContact CA-O 3.4Å; L464-K469 WeakPolarHBondContact CD1-O 3.3Å; L464-F470 HydrophobicContact CB-CD1 4.2Å; L464-F470 HydrophobicContact CB-CE1 3.9Å; L464-F470 HydrophobicContact CB-CZ 4.42Å; L464-F470 HydrophobicContact CD1-CD1 4.37Å; L464-F470 HydrophobicContact CD1-CD2 4.24Å; L464-F470 HydrophobicContact CD1-CE1 4Å; L464-F470 HydrophobicContact CD1-CE2 3.84Å; L464-F470 HydrophobicContact CD1-CG 4.48Å; L464-F470 HydrophobicContact CD1-CZ 3.71Å; L464-F470 HydrophobicContact CD2-CE1 4.39Å; L464-F470 HydrophobicContact CD2-CZ 4.22Å; L464-F470 HydrophobicContact CG-CE1 4.31Å; L464-F470 HydrophobicContact CG-CZ 4.34Å; L464-V512 HydrophobicContact CD2-CB 4.11Å; L464-V512 HydrophobicContact CD2-CG1 4.29Å; L464-I515 HydrophobicContact CB-CD1 3.57Å; L464-I515 HydrophobicContact CD2-CD1 4.34Å |
| 465 | T | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 164.1 | 179.2 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | L446 E449 K450 T467 G468 K469 | L446-T465 HydrophobicContact CD2-CG2 3.73Å; E449-T465 HydrophobicContact CB-CG2 3.74Å; E449-T465 HydrophobicContact CG-CG2 4.13Å; E449-T465 VanDerWaalsContact OE2-CB 3.28Å; E449-T465 WeakPolarHBondContact OE2-CB 3.36Å; E449-T465 PolarHBondContact OE2-OG1 3.05Å; K450-T465 CarbonylContact O-C 3.57Å; K450-T465 WeakPolarHBondContact O-CA 3.4Å; T465-T467 PolarHBondContact O-N 3.03Å; T465-T467 PolarHBondContact OG1-N 3.3Å; T465-T467 PolarHBondContact OG1-OG1 3.03Å; T465-G468 PolarHBondContact O-N 3.43Å; T465-K469 HydrophobicContact CG2-CB 4.43Å; T465-K469 PolarHBondContact N-O 3.04Å; T465-K469 WeakPolarHBondContact OG1-CA 3.18Å; T465-K469 WeakPolarHBondContact OG1-CB 3.45Å; T465-K469 PolarHBondContact OG1-N 3Å; T465-K469 PolarHBondContact OG1-O 3.25Å |
| 466 | A | 95 | Very high | 94.4 | Very high | 63 Ų | 63 | 18.1 Ų | 18.1 | 52% | 0.521 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K450 I452 G468 | K450-A466 HydrophobicContact CB-CB 4.16Å; K450-A466 HydrophobicContact CG-CB 4.49Å; K450-A466 PolarHBondContact O-N 3.22Å; I452-A466 HydrophobicContact CG2-CB 3.91Å; A466-G468 VanDerWaalsContact C-N 3.25Å; A466-G468 PolarHBondContact O-N 3Å |
| 467 | T | 93.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 18.4 Ų | 18.4 | 48% | 0.479 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 0.4 | 174.7 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | E449 T465 K469 | E449-T467 VanDerWaalsContact CD-OG1 3.24Å; E449-T467 PolarHBondContact OE1-OG1 3.22Å; E449-T467 VanDerWaalsContact OE1-OG1 3.1Å; E449-T467 WeakPolarHBondContact OE2-CB 3.35Å; E449-T467 VanDerWaalsContact OE2-CG2 3.32Å; E449-T467 WeakPolarHBondContact OE2-CG2 3.44Å; E449-T467 PolarHBondContact OE2-OG1 3Å; T465-T467 PolarHBondContact O-N 3.03Å; T465-T467 PolarHBondContact OG1-N 3.3Å; T465-T467 PolarHBondContact OG1-OG1 3.03Å; T467-K469 VanDerWaalsContact C-N 3.33Å; T467-K469 WeakPolarHBondContact OG1-CD 3.45Å; T467-K469 WeakPolarHBondContact OG1-CG 3.39Å |
| 468 | G | 93.5 | Very high | 93.5 | Very high | 28.5 Ų | 28.5 | 18 Ų | 18 | 29% | 0.294 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 84 | 2.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T465 A466 | T465-G468 PolarHBondContact O-N 3.43Å; A466-G468 VanDerWaalsContact C-N 3.25Å; A466-G468 PolarHBondContact O-N 3Å |
| 469 | K | 95.7 | Very high | 92.7 | Very high | 67 Ų | 67 | 18.2 Ų | 18.2 | 29% | 0.291 | 11% | 0.112 | S | C | . | . | trans | -74.9 | 147.1 | 175.9 | -61.9 | 169.5 | -172.9 | 171.9 | 0 | 111.5 | E449 L464 T465 T467 A501 V502 L503 | E449-K469 WeakPolarHBondContact OE1-CD 3.44Å; E449-K469 VanDerWaalsContact OE1-CE 3.27Å; E449-K469 WeakPolarHBondContact OE1-CE 3.32Å; E449-K469 IonicContact OE1-NZ 3.43Å; E449-K469 PolarHBondContact OE1-NZ 3.23Å; L464-K469 WeakPolarHBondContact CA-O 3.4Å; L464-K469 WeakPolarHBondContact CD1-O 3.3Å; T465-K469 HydrophobicContact CG2-CB 4.43Å; T465-K469 PolarHBondContact N-O 3.04Å; T465-K469 WeakPolarHBondContact OG1-CA 3.18Å; T465-K469 WeakPolarHBondContact OG1-CB 3.45Å; T465-K469 PolarHBondContact OG1-N 3Å; T465-K469 PolarHBondContact OG1-O 3.25Å; T467-K469 VanDerWaalsContact C-N 3.33Å; T467-K469 WeakPolarHBondContact OG1-CD 3.45Å; T467-K469 WeakPolarHBondContact OG1-CG 3.39Å; K469-A501 HydrophobicContact CB-CB 4.1Å; K469-A501 HydrophobicContact CD-CB 3.97Å; K469-V502 CarbonylContact C-O 3.53Å; K469-V502 VanDerWaalsContact CA-O 3.28Å; K469-V502 WeakPolarHBondContact CA-O 3.27Å; K469-L503 HydrophobicContact CG-CB 4.26Å | ||
| 470 | F | 96.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.7 | 170.4 | -70.6 | -90.6 | 0 | 0 | 0 | 110.8 | T462 V463 L464 H499 Q500 A501 V502 F504 L507 V512 I515 I524 W534 | T462-F470 HydrophobicContact CG2-CD1 3.98Å; V463-F470 WeakPolarHBondContact O-CA 3.41Å; L464-F470 HydrophobicContact CB-CD1 4.2Å; L464-F470 HydrophobicContact CB-CE1 3.9Å; L464-F470 HydrophobicContact CB-CZ 4.42Å; L464-F470 HydrophobicContact CD1-CD1 4.37Å; L464-F470 HydrophobicContact CD1-CD2 4.24Å; L464-F470 HydrophobicContact CD1-CE1 4Å; L464-F470 HydrophobicContact CD1-CE2 3.84Å; L464-F470 HydrophobicContact CD1-CG 4.48Å; L464-F470 HydrophobicContact CD1-CZ 3.71Å; L464-F470 HydrophobicContact CD2-CE1 4.39Å; L464-F470 HydrophobicContact CD2-CZ 4.22Å; L464-F470 HydrophobicContact CG-CE1 4.31Å; L464-F470 HydrophobicContact CG-CZ 4.34Å; F470-H499 PolarHBondContact O-CE1 3.06Å; F470-H499 VanDerWaalsContact O-CE1 3.28Å; F470-H499 PolarHBondContact O-ND1 3.3Å; F470-H499 VanDerWaalsContact O-ND1 3.14Å; F470-Q500 VanDerWaalsContact O-O 3.05Å; F470-A501 CarbonylContact O-C 3.46Å; F470-A501 WeakPolarHBondContact O-CA 3.33Å; F470-V502 PolarHBondContact N-O 2.88Å; F470-V502 PolarHBondContact O-N 2.88Å; F470-F504 HydrophobicContact CB-CD2 4.41Å; F470-F504 HydrophobicContact CB-CE2 3.93Å; F470-F504 AromaticContact CD2-CD2 3.93Å; F470-F504 HydrophobicContact CD2-CD2 3.93Å; F470-F504 HydrophobicContact CD2-CE2 4.24Å; F470-F504 HydrophobicContact CG-CD2 4.45Å; F470-F504 HydrophobicContact CG-CE2 4.3Å; F470-L507 HydrophobicContact CD2-CD1 4.36Å; F470-L507 HydrophobicContact CE2-CD1 3.72Å; F470-L507 HydrophobicContact CZ-CD1 4.4Å; F470-V512 HydrophobicContact CZ-CB 4.31Å; F470-V512 HydrophobicContact CZ-CG1 4.19Å; F470-V512 HydrophobicContact CZ-CG2 4.01Å; F470-I515 HydrophobicContact CE1-CD1 3.99Å; F470-I515 HydrophobicContact CE1-CG1 4.4Å; F470-I524 HydrophobicContact CE1-CG2 4.08Å; F470-I524 HydrophobicContact CZ-CD1 4.32Å; F470-I524 HydrophobicContact CZ-CG2 4.35Å; F470-W534 HydrophobicContact CB-CZ2 4.33Å; F470-W534 AromaticContact CD1-CH2 3.69Å; F470-W534 HydrophobicContact CD1-CH2 3.69Å; F470-W534 AromaticContact CD1-CZ2 3.98Å; F470-W534 HydrophobicContact CD1-CZ2 4Å; F470-W534 AromaticContact CE1-CH2 3.91Å; F470-W534 HydrophobicContact CE1-CH2 3.91Å; F470-W534 HydrophobicContact CG-CH2 4.07Å; F470-W534 HydrophobicContact CG-CZ2 4.25Å; F470-W534 HydrophobicContact CZ-CH2 4.49Å |
| 471 | A | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L444 L446 T462 V463 H499 A501 | L444-A471 HydrophobicContact CB-CB 4.22Å; L444-A471 HydrophobicContact CD2-CB 4.46Å; L446-A471 HydrophobicContact CD1-CB 4.16Å; L446-A471 HydrophobicContact CD2-CB 4.06Å; L446-A471 HydrophobicContact CG-CB 4.3Å; T462-A471 WeakPolarHBondContact CA-O 3.43Å; V463-A471 HydrophobicContact CG2-CB 3.84Å; V463-A471 PolarHBondContact N-O 3.03Å; V463-A471 PolarHBondContact O-N 2.93Å; A471-H499 WeakPolarHBondContact CA-O 3.13Å; A471-A501 HydrophobicContact CB-CB 4.45Å |
| 472 | T | 96 | Very high | 88.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.6 | -176.1 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | R460 A461 T462 E498 H499 W534 | R460-T472 HydrophobicContact CG-CG2 4.25Å; R460-T472 VanDerWaalsContact NH1-CG2 3.32Å; A461-T472 WeakPolarHBondContact O-CA 3.38Å; A461-T472 WeakPolarHBondContact O-CG2 3.49Å; T462-T472 WeakPolarHBondContact CG2-OG1 3.44Å; T462-T472 WeakPolarHBondContact OG1-CG2 3.38Å; T462-T472 PolarHBondContact OG1-OG1 3.22Å; T472-E498 CarbonylContact O-C 3.53Å; T472-E498 VanDerWaalsContact O-CA 3.23Å; T472-E498 WeakPolarHBondContact O-CA 3.46Å; T472-E498 WeakPolarHBondContact O-CB 3.39Å; T472-H499 VanDerWaalsContact CB-NE2 3.32Å; T472-H499 WeakPolarHBondContact CB-NE2 3.36Å; T472-H499 PolarHBondContact N-O 3.03Å; T472-H499 VanDerWaalsContact N-O 3.12Å; T472-H499 PolarHBondContact O-N 3.32Å; T472-H499 PolarHBondContact OG1-CE1 3.11Å; T472-H499 PolarHBondContact OG1-NE2 3.23Å; T472-W534 PolarHBondContact OG1-NE1 3.28Å |
| 473 | W | 94.3 | Very high | 86.2 | Confident | 1.5 Ų | 1.5 | 28.3 Ų | 28.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 163.6 | 177.2 | 71.3 | 106.8 | 0 | 0 | 0 | 112.3 | V385 L393 H438 L444 L454 R460 A461 V463 E498 | V385-W473 HydrophobicContact CG1-CZ2 4.24Å; L393-W473 HydrophobicContact CD1-CH2 4.39Å; L393-W473 HydrophobicContact CD2-CH2 3.63Å; L393-W473 HydrophobicContact CD2-CZ2 3.89Å; L393-W473 HydrophobicContact CD2-CZ3 4.47Å; H438-W473 AromaticContact NE2-CZ2 3.75Å; H438-W473 AromaticContact NE2-NE1 3.91Å; L444-W473 HydrophobicContact CD1-CB 4.29Å; L444-W473 HydrophobicContact CD1-CD2 3.85Å; L444-W473 HydrophobicContact CD1-CE3 3.54Å; L444-W473 HydrophobicContact CD1-CG 4.21Å; L444-W473 HydrophobicContact CD1-CZ3 4.12Å; L444-W473 HydrophobicContact CD2-CB 4.29Å; L454-W473 HydrophobicContact CD1-CH2 4.1Å; R460-W473 WeakPolarHBondContact CA-O 3.42Å; A461-W473 HydrophobicContact CB-CD2 3.93Å; A461-W473 HydrophobicContact CB-CE3 4.07Å; A461-W473 HydrophobicContact CB-CH2 3.66Å; A461-W473 HydrophobicContact CB-CZ2 3.5Å; A461-W473 VanDerWaalsContact CB-CZ2 3.47Å; A461-W473 HydrophobicContact CB-CZ3 3.94Å; A461-W473 PolarHBondContact N-O 3.3Å; A461-W473 PolarHBondContact O-N 3.37Å; A461-W473 VanDerWaalsContact O-N 3.15Å; V463-W473 HydrophobicContact CB-CZ3 4.5Å; V463-W473 HydrophobicContact CG1-CH2 3.89Å; V463-W473 HydrophobicContact CG1-CZ3 3.86Å; V463-W473 HydrophobicContact CG2-CZ3 4.14Å; W473-E498 WeakPolarHBondContact CA-OE1 3.28Å; W473-E498 VanDerWaalsContact CB-OE1 3.3Å; W473-E498 WeakPolarHBondContact CB-OE1 3.4Å |
| 474 | M | 91.4 | Very high | 83.5 | Confident | 11.5 Ų | 11.5 | 33.5 Ų | 33.5 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 161.2 | 174.4 | -59.8 | -61.1 | -72.5 | 0 | 0 | 110.8 | T459 R460 L478 I479 I497 E498 | T459-M474 VanDerWaalsContact O-CA 3.29Å; T459-M474 WeakPolarHBondContact O-CA 3.25Å; T459-M474 WeakPolarHBondContact O-CE 3.49Å; R460-M474 HydrophobicContact CB-SD 4Å; R460-M474 HydrophobicContact CG-SD 4.22Å; R460-M474 VanDerWaalsContact CZ-SD 3.56Å; R460-M474 PolarHBondContact NH2-SD 3.03Å; M474-L478 HydrophobicContact CE-CD1 3.65Å; M474-I479 HydrophobicContact CB-CD1 4.39Å; M474-I479 HydrophobicContact CB-CG1 4.48Å; M474-I497 HydrophobicContact CE-CG2 4.2Å; M474-I497 HydrophobicContact CG-CG2 3.53Å; M474-I497 HydrophobicContact SD-CG2 3.46Å; M474-I497 VanDerWaalsContact SD-CG2 3.55Å; M474-I497 WeakPolarHBondContact SD-CG2 3.39Å; M474-E498 HydrophobicContact CB-CG 4.49Å; M474-E498 HydrophobicContact CG-CG 3.97Å; M474-E498 PolarHBondContact N-OE1 3.13Å |
| 475 | D | 92.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -66.5 | 142.9 | 174 | -179.6 | 2.9 | 0 | 0 | 0 | 112.6 | L380 H381 S382 T459 S477 L478 | L380-D475 HydrophobicContact CB-CB 4.36Å; L380-D475 VanDerWaalsContact CB-OD1 3.28Å; L380-D475 WeakPolarHBondContact CB-OD1 3.29Å; H381-D475 PolarHBondContact N-OD1 2.85Å; S382-D475 WeakPolarHBondContact CB-OD1 3.36Å; S382-D475 PolarHBondContact N-OD1 2.76Å; S382-D475 PolarHBondContact OG-OD1 3.27Å; T459-D475 PolarHBondContact O-N 2.83Å; D475-S477 PolarHBondContact O-N 3Å; D475-S477 VanDerWaalsContact O-N 3.11Å; D475-S477 WeakPolarHBondContact OD1-CB 3.38Å; D475-S477 PolarHBondContact OD1-N 3.2Å; D475-S477 PolarHBondContact OD1-OG 3.42Å; D475-S477 WeakPolarHBondContact OD2-CB 3.26Å; D475-S477 PolarHBondContact OD2-N 3.13Å; D475-S477 PolarHBondContact OD2-OG 2.77Å; D475-L478 PolarHBondContact O-N 3Å | ||
| 476 | E | 86.3 | Confident | 78.3 | Confident | 41.5 Ų | 41.5 | 41 Ų | 41 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.1 | -37.5 | -179 | -169.9 | -175.9 | 134.2 | 0 | 0 | 113.6 | R397 L478 I479 H480 | R397-E476 IonicContact CZ-OE2 2.79Å; R397-E476 VanDerWaalsContact CZ-OE2 3.28Å; R397-E476 IonicContact NE-OE2 3.69Å; R397-E476 PolarHBondContact NE-OE2 2.75Å; R397-E476 IonicContact NH2-OE1 3.82Å; R397-E476 IonicContact NH2-OE2 3.87Å; R397-E476 PolarHBondContact NH2-OE2 3.43Å; E476-L478 PolarHBondContact O-N 2.99Å; E476-I479 PolarHBondContact O-N 3.09Å; E476-H480 WeakPolarHBondContact CG-CD2 3.3Å; E476-H480 PolarHBondContact O-N 3.17Å; E476-H480 IonicContact OE1-CD2 3.31Å; E476-H480 PolarHBondContact OE1-CD2 2.99Å; E476-H480 IonicContact OE1-NE2 3.09Å |
| 477 | S | 85.9 | Confident | 75.5 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -24.2 | -178.6 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | D475 S481 P638 | D475-S477 PolarHBondContact O-N 3Å; D475-S477 VanDerWaalsContact O-N 3.11Å; D475-S477 WeakPolarHBondContact OD1-CB 3.38Å; D475-S477 PolarHBondContact OD1-N 3.2Å; D475-S477 PolarHBondContact OD1-OG 3.42Å; D475-S477 WeakPolarHBondContact OD2-CB 3.26Å; D475-S477 PolarHBondContact OD2-N 3.13Å; D475-S477 PolarHBondContact OD2-OG 2.77Å; S477-S481 PolarHBondContact O-OG 3.06Å; S477-P638 WeakPolarHBondContact OG-CG 3.37Å |
| 478 | L | 84.3 | Confident | 72.7 | Confident | 9.5 Ų | 9.5 | 43.7 Ų | 43.7 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -89.3 | -19.3 | 174.5 | -68.8 | 176.9 | 0 | 0 | 0 | 113.2 | T459 M474 D475 E476 L482 F631 P638 V640 | T459-L478 HydrophobicContact CG2-CD1 4.14Å; M474-L478 HydrophobicContact CE-CD1 3.65Å; D475-L478 PolarHBondContact O-N 3Å; E476-L478 PolarHBondContact O-N 2.99Å; L478-L482 WeakPolarHBondContact O-CD1 3.29Å; L478-L482 WeakPolarHBondContact O-CG 3.5Å; L478-F631 HydrophobicContact CD1-CD2 4.13Å; L478-F631 HydrophobicContact CD1-CE2 4.07Å; L478-F631 HydrophobicContact CD2-CB 3.8Å; L478-F631 HydrophobicContact CD2-CD2 3.74Å; L478-F631 HydrophobicContact CD2-CE2 4.49Å; L478-F631 HydrophobicContact CD2-CG 3.92Å; L478-P638 HydrophobicContact CD1-CB 4.28Å; L478-P638 HydrophobicContact CD2-CB 3.57Å; L478-P638 HydrophobicContact CG-CB 3.74Å; L478-V640 HydrophobicContact CD2-CG2 3.89Å |
| 479 | I | 73.6 | Confident | 69.8 | Low | 39.5 Ų | 39.5 | 46.5 Ų | 46.5 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -93.1 | -52.4 | -175 | -58.1 | 176.5 | 0 | 0 | 0 | 110.2 | M474 E476 S481 L482 L488 | M474-I479 HydrophobicContact CB-CD1 4.39Å; M474-I479 HydrophobicContact CB-CG1 4.48Å; E476-I479 PolarHBondContact O-N 3.09Å; I479-S481 PolarHBondContact O-N 3Å; I479-L482 PolarHBondContact O-N 3.04Å; I479-L488 HydrophobicContact CG2-CD1 4.25Å; I479-L488 HydrophobicContact CG2-CD2 3.91Å |
| 480 | H | 66.5 | Low | 66.8 | Low | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -9.8 | -176.2 | -70.1 | -10.5 | 0 | 0 | 0 | 114.5 | E476 M661 | E476-H480 WeakPolarHBondContact CG-CD2 3.3Å; E476-H480 PolarHBondContact O-N 3.17Å; E476-H480 IonicContact OE1-CD2 3.31Å; E476-H480 PolarHBondContact OE1-CD2 2.99Å; E476-H480 IonicContact OE1-NE2 3.09Å; H480-M661 HydrophobicContact CB-CE 3.86Å; H480-M661 HydrophobicContact CB-SD 3.91Å |
| 481 | S | 61 | Low | 63.9 | Low | 13.5 Ų | 13.5 | 52 Ų | 52 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.9 | 176 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | S477 I479 V640 N659 | S477-S481 PolarHBondContact O-OG 3.06Å; I479-S481 PolarHBondContact O-N 3Å; S481-V640 WeakPolarHBondContact OG-CB 3.3Å; S481-V640 WeakPolarHBondContact OG-CG2 3.4Å; S481-N659 PolarHBondContact O-ND2 3.01Å |
| 482 | L | 62.3 | Low | 61 | Low | 37 Ų | 37 | 56.9 Ų | 56.9 | 19% | 0.194 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -85.8 | 152.1 | 166.5 | -65.9 | 170.1 | 0 | 0 | 0 | 110.8 | L478 I479 Y486 I629 V640 V861 | L478-L482 WeakPolarHBondContact O-CD1 3.29Å; L478-L482 WeakPolarHBondContact O-CG 3.5Å; I479-L482 PolarHBondContact O-N 3.04Å; L482-Y486 HydrophobicContact CD1-CD1 4.5Å; L482-I629 HydrophobicContact CD2-CG2 3.83Å; L482-V640 HydrophobicContact CD2-CG1 4.07Å; L482-V861 HydrophobicContact CD1-CG1 4.37Å; L482-V861 HydrophobicContact CD2-CB 4.26Å; L482-V861 HydrophobicContact CD2-CG1 3.97Å; L482-V861 HydrophobicContact CD2-CG2 4.26Å |
| 483 | P | 52 | Low | 58.1 | Low | 47.5 Ų | 47.5 | 57.9 Ų | 57.9 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | trans | -63.9 | 141.8 | -178.7 | -22 | 33.6 | 0 | 0 | 0 | 113.5 | S485 Y486 I629 | P483-S485 PolarHBondContact O-N 3.27Å; P483-Y486 VanDerWaalsContact O-CB 3.31Å; P483-Y486 WeakPolarHBondContact O-CB 3.41Å; P483-Y486 PolarHBondContact O-N 2.98Å; P483-I629 HydrophobicContact CG-CD1 3.35Å; P483-I629 VanDerWaalsContact CG-CD1 3.43Å | ||
| 484 | A | 42.1 | Very low | 56 | Low | 110 Ų | 110 | 60.4 Ų | 60.4 | 91% | 0.909 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 2.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y486 | A484-Y486 PolarHBondContact O-N 3.21Š|
| 485 | S | 40.6 | Very low | 54.1 | Low | 100.5 Ų | 100.5 | 61.7 Ų | 61.7 | 70% | 0.703 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 1.3 | 170.1 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | P483 P487 | P483-S485 PolarHBondContact O-N 3.27Å; S485-P487 VanDerWaalsContact O-CD 3.29Å; S485-P487 WeakPolarHBondContact O-CD 3.37Å |
| 486 | Y | 43.1 | Very low | 52.8 | Low | 68 Ų | 68 | 62.6 Ų | 62.6 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -88 | 109.4 | 172.4 | -115.4 | -96.9 | 0 | 0 | 0 | 110.7 | L482 P483 A484 L488 G493 L495 V861 | L482-Y486 HydrophobicContact CD1-CD1 4.5Å; P483-Y486 VanDerWaalsContact O-CB 3.31Å; P483-Y486 WeakPolarHBondContact O-CB 3.41Å; P483-Y486 PolarHBondContact O-N 2.98Å; A484-Y486 PolarHBondContact O-N 3.21Å; Y486-L488 PolarHBondContact O-N 3.32Å; Y486-L488 VanDerWaalsContact O-N 3.08Å; Y486-G493 VanDerWaalsContact CD1-O 3.29Å; Y486-G493 WeakPolarHBondContact CD1-O 3.16Å; Y486-G493 WeakPolarHBondContact CE1-O 3.5Å; Y486-G493 VanDerWaalsContact CZ-O 3.26Å; Y486-G493 PolarHBondContact OH-O 3Å; Y486-L495 PolarHBondContact OH-N 2.85Å; Y486-V861 HydrophobicContact CE2-CG1 3.77Å; Y486-V861 WeakPolarHBondContact OH-CG1 3.32Å |
| 487 | P | 36.1 | Very low | 52.4 | Low | 77.5 Ų | 77.5 | 61.2 Ų | 61.2 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | trans | -77.5 | 101.6 | -179.2 | 30.9 | -33.9 | 0 | 0 | 0 | 110.8 | S485 G489 S490 | S485-P487 VanDerWaalsContact O-CD 3.29Å; S485-P487 WeakPolarHBondContact O-CD 3.37Å; P487-G489 PolarHBondContact O-N 3Å; P487-G489 VanDerWaalsContact O-N 3.11Å; P487-S490 PolarHBondContact O-N 3.09Å; P487-S490 VanDerWaalsContact O-N 3.12Å | ||
| 488 | L | 36 | Very low | 52.5 | Low | 120 Ų | 120 | 61.6 Ų | 61.6 | 63% | 0.628 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.1 | 178.2 | -98.2 | 73.5 | 0 | 0 | 0 | 113.8 | I479 Y486 S490 | I479-L488 HydrophobicContact CG2-CD1 4.25Å; I479-L488 HydrophobicContact CG2-CD2 3.91Å; Y486-L488 PolarHBondContact O-N 3.32Å; Y486-L488 VanDerWaalsContact O-N 3.08Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 3.35Å |
| 489 | G | 32.6 | Very low | 52.8 | Low | 86.5 Ų | 86.5 | 63 Ų | 63 | 89% | 0.892 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -0.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | P487 | P487-G489 PolarHBondContact O-N 3Å; P487-G489 VanDerWaalsContact O-N 3.11Å |
| 490 | S | 33.7 | Very low | 53.8 | Low | 58 Ų | 58 | 67 Ų | 67 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -104.2 | 120.3 | 178.6 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | P487 L488 S492 G493 | P487-S490 PolarHBondContact O-N 3.09Å; P487-S490 VanDerWaalsContact O-N 3.12Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 3.35Å; S490-S492 PolarHBondContact O-N 3.09Å; S490-G493 PolarHBondContact O-N 3.05Å | ||
| 491 | S | 35.2 | Very low | 55.1 | Low | 128.5 Ų | 128.5 | 62.5 Ų | 62.5 | 90% | 0.899 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -1.7 | -179.5 | 55.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 492 | S | 35.1 | Very low | 56.7 | Low | 103.5 Ų | 103.5 | 64.5 Ų | 64.5 | 72% | 0.724 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 1.3 | 172 | -60.6 | 0 | 0 | 0 | 0 | 114 | S490 | S490-S492 PolarHBondContact O-N 3.09Š|
| 493 | G | 36 | Very low | 58.2 | Low | 21 Ų | 21 | 67.1 Ų | 67.1 | 22% | 0.216 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -42.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y486 S490 | Y486-G493 VanDerWaalsContact CD1-O 3.29Å; Y486-G493 WeakPolarHBondContact CD1-O 3.16Å; Y486-G493 WeakPolarHBondContact CE1-O 3.5Å; Y486-G493 VanDerWaalsContact CZ-O 3.26Å; Y486-G493 PolarHBondContact OH-O 3Å; S490-G493 PolarHBondContact O-N 3.05Å |
| 494 | S | 49.2 | Very low | 60.2 | Low | 54 Ų | 54 | 65.3 Ų | 65.3 | 38% | 0.378 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -65.9 | 145.5 | 170.2 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | G496 | S494-G496 PolarHBondContact O-N 3.16Å; S494-G496 PolarHBondContact OG-N 2.95Å |
| 495 | L | 52.3 | Low | 62.7 | Low | 38 Ų | 38 | 63.8 Ų | 63.8 | 20% | 0.199 | 41% | 0.406 | C | S | . | . | trans | -57.9 | -6.8 | 177.6 | -76.8 | 158.6 | 0 | 0 | 0 | 114.4 | Y486 I497 V861 V963 R965 | Y486-L495 PolarHBondContact OH-N 2.85Å; L495-I497 VanDerWaalsContact C-N 3.32Å; L495-I497 HydrophobicContact CB-CB 4.38Å; L495-I497 HydrophobicContact CB-CD1 3.72Å; L495-I497 HydrophobicContact CB-CG1 3.7Å; L495-I497 HydrophobicContact CD1-CD1 3.53Å; L495-I497 VanDerWaalsContact CD1-CD1 3.43Å; L495-I497 HydrophobicContact CD1-CG1 4.21Å; L495-I497 HydrophobicContact CG-CD1 4.23Å; L495-I497 PolarHBondContact O-N 2.93Å; L495-V861 HydrophobicContact CD1-CB 4.23Å; L495-V861 HydrophobicContact CD1-CG1 3.92Å; L495-V861 HydrophobicContact CD1-CG2 3.88Å; L495-V861 HydrophobicContact CD2-CB 4.45Å; L495-V861 HydrophobicContact CD2-CG1 4.15Å; L495-V861 HydrophobicContact CG-CG1 4.32Å; L495-V963 HydrophobicContact CB-CG2 4.33Å; L495-R965 PolarHBondContact O-NE 3.49Å; L495-R965 PolarHBondContact O-NH2 3.45Å | ||
| 496 | G | 65 | Low | 65 | Low | 19 Ų | 19 | 62.6 Ų | 62.6 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 75 | 15.6 | -168 | 0 | 0 | 0 | 0 | 0 | 113.1 | S494 E498 V963 | S494-G496 PolarHBondContact O-N 3.16Å; S494-G496 PolarHBondContact OG-N 2.95Å; G496-E498 VanDerWaalsContact C-N 3.25Å; G496-V963 WeakPolarHBondContact O-CG1 3.42Å |
| 497 | I | 77.9 | Confident | 67.3 | Low | 12.5 Ų | 12.5 | 60.1 Ų | 60.1 | 6% | 0.064 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -69.2 | -28 | 171.9 | -66.2 | 173.6 | 0 | 0 | 0 | 110.7 | R460 M474 L495 I536 F631 V963 | R460-I497 PolarHBondContact NH1-O 3.34Å; R460-I497 VanDerWaalsContact NH1-O 3.07Å; R460-I497 VanDerWaalsContact NH2-CG2 3.3Å; M474-I497 HydrophobicContact CE-CG2 4.2Å; M474-I497 HydrophobicContact CG-CG2 3.53Å; M474-I497 HydrophobicContact SD-CG2 3.46Å; M474-I497 VanDerWaalsContact SD-CG2 3.55Å; M474-I497 WeakPolarHBondContact SD-CG2 3.39Å; L495-I497 VanDerWaalsContact C-N 3.32Å; L495-I497 HydrophobicContact CB-CB 4.38Å; L495-I497 HydrophobicContact CB-CD1 3.72Å; L495-I497 HydrophobicContact CB-CG1 3.7Å; L495-I497 HydrophobicContact CD1-CD1 3.53Å; L495-I497 VanDerWaalsContact CD1-CD1 3.43Å; L495-I497 HydrophobicContact CD1-CG1 4.21Å; L495-I497 HydrophobicContact CG-CD1 4.23Å; L495-I497 PolarHBondContact O-N 2.93Å; I497-I536 HydrophobicContact CD1-CD1 3.9Å; I497-I536 HydrophobicContact CD1-CG1 4.08Å; I497-I536 HydrophobicContact CG1-CD1 4.16Å; I497-I536 HydrophobicContact CG1-CG1 3.92Å; I497-I536 HydrophobicContact CG2-CD1 4.08Å; I497-I536 HydrophobicContact CG2-CG1 4.13Å; I497-F631 HydrophobicContact CD1-CE1 4.21Å; I497-F631 HydrophobicContact CD1-CZ 4.31Å; I497-V963 HydrophobicContact CD1-CG2 4.49Å; I497-V963 HydrophobicContact CG1-CG1 4.29Å; I497-V963 HydrophobicContact CG1-CG2 3.86Å |
| 498 | E | 87.9 | Confident | 69.7 | Low | 34.5 Ų | 34.5 | 65 Ų | 65 | 16% | 0.161 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -112.9 | 156 | 176.6 | -52.1 | -164.1 | 112.7 | 0 | 0 | 110.3 | R440 T472 W473 M474 G496 | R440-E498 IonicContact CZ-OE1 2.63Å; R440-E498 IonicContact CZ-OE2 3.12Å; R440-E498 IonicContact NH2-OE1 3.51Å; R440-E498 PolarHBondContact NH2-OE1 3.02Å; R440-E498 IonicContact NH2-OE2 3.25Å; R440-E498 PolarHBondContact NH2-OE2 3.08Å; T472-E498 CarbonylContact O-C 3.53Å; T472-E498 VanDerWaalsContact O-CA 3.23Å; T472-E498 WeakPolarHBondContact O-CA 3.46Å; T472-E498 WeakPolarHBondContact O-CB 3.39Å; W473-E498 WeakPolarHBondContact CA-OE1 3.28Å; W473-E498 VanDerWaalsContact CB-OE1 3.3Å; W473-E498 WeakPolarHBondContact CB-OE1 3.4Å; M474-E498 HydrophobicContact CB-CG 4.49Å; M474-E498 HydrophobicContact CG-CG 3.97Å; M474-E498 PolarHBondContact N-OE1 3.13Å; G496-E498 VanDerWaalsContact C-N 3.25Å |
| 499 | H | 91 | Very high | 72.1 | Confident | 37.5 Ų | 37.5 | 67.1 Ų | 67.1 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 148.7 | 170.1 | 59.7 | 82.1 | 0 | 0 | 0 | 111.5 | F470 A471 T472 V502 F504 W534 | F470-H499 PolarHBondContact O-CE1 3.06Å; F470-H499 VanDerWaalsContact O-CE1 3.28Å; F470-H499 PolarHBondContact O-ND1 3.3Å; F470-H499 VanDerWaalsContact O-ND1 3.14Å; A471-H499 WeakPolarHBondContact CA-O 3.13Å; T472-H499 VanDerWaalsContact CB-NE2 3.32Å; T472-H499 WeakPolarHBondContact CB-NE2 3.36Å; T472-H499 PolarHBondContact N-O 3.03Å; T472-H499 VanDerWaalsContact N-O 3.12Å; T472-H499 PolarHBondContact O-N 3.32Å; T472-H499 PolarHBondContact OG1-CE1 3.11Å; T472-H499 PolarHBondContact OG1-NE2 3.23Å; H499-V502 WeakPolarHBondContact ND1-CG1 3.16Å; H499-F504 AromaticContact CE1-CZ 3.87Å; H499-F504 AromaticContact NE2-CZ 3.82Å; H499-W534 AromaticContact NE2-CD1 3.83Å; H499-W534 AromaticContact NE2-CE2 3.98Å; H499-W534 AromaticContact NE2-NE1 3.22Å; H499-W534 PolarHBondContact NE2-NE1 3.31Å; H499-W534 VanDerWaalsContact NE2-NE1 3.12Å |
| 500 | Q | 93.5 | Very high | 74.9 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 174 | 168.2 | -59.3 | -173.3 | -37.8 | 0 | 0 | 111.4 | E443 L444 F470 V502 | E443-Q500 WeakPolarHBondContact O-CG 3.29Å; E443-Q500 PolarHBondContact O-NE2 3.35Å; L444-Q500 CarbonylContact O-C 3.43Å; L444-Q500 WeakPolarHBondContact O-CA 3.32Å; L444-Q500 WeakPolarHBondContact O-CB 3.16Å; F470-Q500 VanDerWaalsContact O-O 3.05Å; Q500-V502 PolarHBondContact O-N 2.95Å |
| 501 | A | 94.4 | Very high | 77.6 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 96.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L444 L446 K469 F470 A471 | L444-A501 PolarHBondContact O-N 3.1Å; L446-A501 HydrophobicContact CD2-CB 4.05Å; K469-A501 HydrophobicContact CB-CB 4.1Å; K469-A501 HydrophobicContact CD-CB 3.97Å; F470-A501 CarbonylContact O-C 3.46Å; F470-A501 WeakPolarHBondContact O-CA 3.33Å; A471-A501 HydrophobicContact CB-CB 4.45Å |
| 502 | V | 94.3 | Very high | 80.4 | Confident | 55.5 Ų | 55.5 | 60.2 Ų | 60.2 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.4 | -175.1 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | K469 F470 H499 Q500 F504 | K469-V502 CarbonylContact C-O 3.53Å; K469-V502 VanDerWaalsContact CA-O 3.28Å; K469-V502 WeakPolarHBondContact CA-O 3.27Å; F470-V502 PolarHBondContact N-O 2.88Å; F470-V502 PolarHBondContact O-N 2.88Å; H499-V502 WeakPolarHBondContact ND1-CG1 3.16Å; Q500-V502 PolarHBondContact O-N 2.95Å; V502-F504 HydrophobicContact CG1-CD1 4.17Å; V502-F504 HydrophobicContact CG1-CD2 4.45Å; V502-F504 HydrophobicContact CG1-CE1 3.64Å; V502-F504 HydrophobicContact CG1-CE2 3.97Å; V502-F504 HydrophobicContact CG1-CZ 3.53Å |
| 503 | L | 94.5 | Very high | 83.1 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | trans | -92.6 | 108 | 171.7 | -175.9 | 72.6 | 0 | 0 | 0 | 109.2 | K469 P505 | K469-L503 HydrophobicContact CG-CB 4.26Å; L503-P505 WeakPolarHBondContact O-CD 3.34Å | ||
| 504 | F | 94.6 | Very high | 85.7 | Confident | 9.5 Ų | 9.5 | 59.5 Ų | 59.5 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | trans | -72.5 | 123.9 | -178.9 | -68.3 | -62.6 | 0 | 0 | 0 | 111.9 | F470 H499 V502 E506 L507 W534 P967 | F470-F504 HydrophobicContact CB-CD2 4.41Å; F470-F504 HydrophobicContact CB-CE2 3.93Å; F470-F504 AromaticContact CD2-CD2 3.93Å; F470-F504 HydrophobicContact CD2-CD2 3.93Å; F470-F504 HydrophobicContact CD2-CE2 4.24Å; F470-F504 HydrophobicContact CG-CD2 4.45Å; F470-F504 HydrophobicContact CG-CE2 4.3Å; H499-F504 AromaticContact CE1-CZ 3.87Å; H499-F504 AromaticContact NE2-CZ 3.82Å; V502-F504 HydrophobicContact CG1-CD1 4.17Å; V502-F504 HydrophobicContact CG1-CD2 4.45Å; V502-F504 HydrophobicContact CG1-CE1 3.64Å; V502-F504 HydrophobicContact CG1-CE2 3.97Å; V502-F504 HydrophobicContact CG1-CZ 3.53Å; F504-E506 PolarHBondContact O-N 3.21Å; F504-L507 HydrophobicContact CB-CD1 4.14Å; F504-L507 HydrophobicContact CB-CG 4.18Å; F504-L507 HydrophobicContact CD2-CD1 4.21Å; F504-L507 PolarHBondContact O-N 3.17Å; F504-L507 VanDerWaalsContact O-N 3.09Å; F504-W534 HydrophobicContact CE2-CZ2 4.33Å; F504-P967 HydrophobicContact CB-CG 3.94Å; F504-P967 HydrophobicContact CD1-CG 4.05Å; F504-P967 HydrophobicContact CD2-CG 3.39Å; F504-P967 VanDerWaalsContact CD2-CG 3.41Å; F504-P967 HydrophobicContact CE1-CG 4.4Å; F504-P967 HydrophobicContact CE2-CG 3.79Å; F504-P967 HydrophobicContact CG-CG 3.53Å; F504-P967 HydrophobicContact CZ-CG 4.27Å | ||
| 505 | P | 92.9 | Very high | 88 | Confident | 78.5 Ų | 78.5 | 57.7 Ų | 57.7 | 51% | 0.51 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -56.2 | -32 | 177.3 | -26.6 | 35.7 | 0 | 0 | 0 | 113.9 | L503 L507 R508 | L503-P505 WeakPolarHBondContact O-CD 3.34Å; P505-L507 PolarHBondContact O-N 3.18Å; P505-R508 WeakPolarHBondContact O-CG 3.4Å; P505-R508 PolarHBondContact O-N 2.75Å |
| 506 | E | 90.4 | Very high | 90 | Very high | 74.5 Ų | 74.5 | 58.1 Ų | 58.1 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -66.8 | -11.7 | 179.5 | -58.5 | 94 | 149.5 | 0 | 0 | 114.2 | F504 T966 | F504-E506 PolarHBondContact O-N 3.21Å; E506-T966 WeakPolarHBondContact OE1-CB 3.3Å; E506-T966 PolarHBondContact OE1-OG1 3.36Å |
| 507 | L | 91.5 | Very high | 91.5 | Very high | 15.5 Ų | 15.5 | 57.9 Ų | 57.9 | 8% | 0.081 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -116.8 | 6.9 | -175.3 | -57.2 | -179.8 | 0 | 0 | 0 | 114.1 | F470 F504 P505 D509 E510 I524 Y532 P967 | F470-L507 HydrophobicContact CD2-CD1 4.36Å; F470-L507 HydrophobicContact CE2-CD1 3.72Å; F470-L507 HydrophobicContact CZ-CD1 4.4Å; F504-L507 HydrophobicContact CB-CD1 4.14Å; F504-L507 HydrophobicContact CB-CG 4.18Å; F504-L507 HydrophobicContact CD2-CD1 4.21Å; F504-L507 PolarHBondContact O-N 3.17Å; F504-L507 VanDerWaalsContact O-N 3.09Å; P505-L507 PolarHBondContact O-N 3.18Å; L507-D509 PolarHBondContact O-N 2.76Å; L507-E510 HydrophobicContact CB-CB 4.5Å; L507-E510 HydrophobicContact CD2-CB 4.46Å; L507-E510 PolarHBondContact O-N 3.1Å; L507-I524 HydrophobicContact CD1-CD1 3.44Å; L507-I524 VanDerWaalsContact CD1-CD1 3.44Å; L507-I524 HydrophobicContact CD2-CD1 3.83Å; L507-I524 HydrophobicContact CG-CD1 4.31Å; L507-Y532 HydrophobicContact CD2-CD1 4.05Å; L507-Y532 HydrophobicContact CD2-CD2 3.79Å; L507-Y532 HydrophobicContact CD2-CE1 4.03Å; L507-Y532 HydrophobicContact CD2-CE2 3.76Å; L507-Y532 HydrophobicContact CD2-CG 3.95Å; L507-P967 HydrophobicContact CD1-CB 4.41Å; L507-P967 HydrophobicContact CD1-CG 3.98Å; L507-P967 HydrophobicContact CD2-CB 4.47Å; L507-P967 HydrophobicContact CG-CB 4.49Å; L507-P967 HydrophobicContact CG-CG 4.35Å |
| 508 | R | 86.3 | Confident | 92.2 | Very high | 179.5 Ų | 179.5 | 57.3 Ų | 57.3 | 68% | 0.677 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.9 | -175 | -73.3 | 176.2 | 178.3 | -172 | 1.4 | 114 | P505 | P505-R508 WeakPolarHBondContact O-CG 3.4Å; P505-R508 PolarHBondContact O-N 2.75Å |
| 509 | D | 86.7 | Confident | 92.4 | Very high | 165 Ų | 165 | 56.4 Ų | 56.4 | 88% | 0.882 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 12.5 | -178.8 | -50.2 | -54.4 | 0 | 0 | 0 | 112.7 | L507 | L507-D509 PolarHBondContact O-N 2.76Š|
| 510 | E | 89.7 | Confident | 92.5 | Very high | 27.5 Ų | 27.5 | 55.5 Ų | 55.5 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | trans | -125.7 | 106.8 | -167.3 | -71.9 | -89.1 | -140.7 | 0 | 0 | 112.6 | L507 V512 C526 S528 S530 Y532 | L507-E510 HydrophobicContact CB-CB 4.5Å; L507-E510 HydrophobicContact CD2-CB 4.46Å; L507-E510 PolarHBondContact O-N 3.1Å; E510-V512 PolarHBondContact O-N 2.77Å; E510-C526 HydrophobicContact CB-CB 4.12Å; E510-C526 HydrophobicContact CG-CB 4.47Å; E510-C526 WeakPolarHBondContact OE2-CB 3.31Å; E510-S528 VanDerWaalsContact CD-OG 3.27Å; E510-S528 PolarHBondContact OE1-OG 3.02Å; E510-S528 WeakPolarHBondContact OE2-CB 3.37Å; E510-S528 PolarHBondContact OE2-OG 3.12Å; E510-S530 WeakPolarHBondContact OE1-CB 3.46Å; E510-S530 PolarHBondContact OE1-OG 3.22Å; E510-Y532 HydrophobicContact CG-CE2 4.34Å; E510-Y532 WeakPolarHBondContact OE1-CE2 3.33Å; E510-Y532 PolarHBondContact OE1-OH 2.88Å | ||
| 511 | S | 91.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | trans | -76.9 | 124.5 | 174.5 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | C526 L527 | S511-C526 CarbonylContact O-C 3.5Å; S511-C526 VanDerWaalsContact O-CA 3.27Å; S511-C526 WeakPolarHBondContact O-CA 3.41Å; S511-L527 WeakPolarHBondContact O-CB 3.38Å; S511-L527 PolarHBondContact O-N 2.91Å | ||
| 512 | V | 93.6 | Very high | 92.7 | Very high | 22.5 Ų | 22.5 | 48.6 Ų | 48.6 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.5 | -172.6 | 178 | 0 | 0 | 0 | 0 | 112.9 | K453 L464 F470 E510 I515 I524 | K453-V512 PolarHBondContact NZ-O 2.92Å; L464-V512 HydrophobicContact CD2-CB 4.11Å; L464-V512 HydrophobicContact CD2-CG1 4.29Å; F470-V512 HydrophobicContact CZ-CB 4.31Å; F470-V512 HydrophobicContact CZ-CG1 4.19Å; F470-V512 HydrophobicContact CZ-CG2 4.01Å; E510-V512 PolarHBondContact O-N 2.77Å; V512-I515 HydrophobicContact CG1-CG1 4.28Å; V512-I524 HydrophobicContact CG1-CB 4Å; V512-I524 HydrophobicContact CG1-CG2 4.21Å; V512-I524 HydrophobicContact CG2-CD1 3.97Å |
| 513 | I | 90.7 | Very high | 92.8 | Very high | 69 Ų | 69 | 46 Ų | 46 | 35% | 0.354 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -49 | -177.7 | -52 | -178.6 | 0 | 0 | 0 | 111.4 | K453 R525 L527 | K453-I513 WeakPolarHBondContact CE-O 3.36Å; K453-I513 PolarHBondContact NZ-O 3Å; I513-R525 PolarHBondContact N-O 2.88Å; I513-L527 HydrophobicContact CD1-CB 4.15Å; I513-L527 HydrophobicContact CD1-CD1 3.87Å; I513-L527 HydrophobicContact CG1-CB 4.29Å |
| 514 | Q | 92.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146 | -173.2 | -62 | 177.2 | -39.7 | 0 | 0 | 111.1 | H516 I524 R525 S1057 | Q514-H516 PolarHBondContact OE1-NE2 3.24Å; Q514-I524 WeakPolarHBondContact O-CA 3.38Å; Q514-R525 HydrophobicContact CB-CB 4.26Å; Q514-R525 PolarHBondContact N-O 3.31Å; Q514-R525 PolarHBondContact O-N 3.1Å; Q514-S1057 PolarHBondContact NE2-OG 2.66Å |
| 515 | I | 95.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.5 | 175.5 | -49.4 | 172.5 | 0 | 0 | 0 | 106.3 | K453 S455 T462 L464 F470 V512 T522 I524 | K453-I515 HydrophobicContact CB-CD1 3.85Å; K453-I515 HydrophobicContact CD-CD1 4.15Å; K453-I515 HydrophobicContact CD-CG1 4.37Å; S455-I515 WeakPolarHBondContact CB-O 3.22Å; S455-I515 PolarHBondContact OG-O 3.25Å; T462-I515 HydrophobicContact CG2-CG2 4.24Å; L464-I515 HydrophobicContact CB-CD1 3.57Å; L464-I515 HydrophobicContact CD2-CD1 4.34Å; F470-I515 HydrophobicContact CE1-CD1 3.99Å; F470-I515 HydrophobicContact CE1-CG1 4.4Å; V512-I515 HydrophobicContact CG1-CG1 4.28Å; I515-T522 HydrophobicContact CG2-CG2 3.82Å; I515-I524 HydrophobicContact CB-CG2 4.41Å; I515-I524 HydrophobicContact CG1-CG2 4.14Å; I515-I524 HydrophobicContact CG2-CG2 4.15Å |
| 516 | H | 95.4 | Very high | 92.8 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 21% | 0.213 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.3 | 176.7 | -65 | -99.6 | 0 | 0 | 0 | 109.2 | Q514 V523 L1001 T1003 | Q514-H516 PolarHBondContact OE1-NE2 3.24Å; H516-V523 PolarHBondContact N-O 2.9Å; H516-V523 PolarHBondContact O-N 3.1Å; H516-L1001 HydrophobicContact CB-CD2 4.38Å; H516-L1001 PolarHBondContact CE1-O 3.08Å; H516-T1003 HydrophobicContact CB-CG2 3.86Å |
| 517 | T | 95.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 41 Ų | 41 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.9 | -177.7 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | S455 G456 C457 T522 | S455-T517 PolarHBondContact OG-N 3.17Å; S455-T517 PolarHBondContact OG-OG1 2.7Å; G456-T517 WeakPolarHBondContact CA-OG1 3.42Å; G456-T517 PolarHBondContact N-OG1 3.26Å; G456-T517 VanDerWaalsContact N-OG1 3.1Å; G456-T517 PolarHBondContact O-OG1 3.28Å; C457-T517 WeakPolarHBondContact CB-O 3.32Å; T517-T522 HydrophobicContact CG2-CG2 4.12Å |
| 518 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -113.3 | 160.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | L520 V521 T1003 | A518-L520 PolarHBondContact O-N 3.09Å; A518-V521 HydrophobicContact CB-CG2 4.13Å; A518-V521 PolarHBondContact N-O 3.11Å; A518-V521 PolarHBondContact O-N 3.12Å; A518-T1003 HydrophobicContact CB-CG2 4Å | ||
| 519 | P | 92.5 | Very high | 92.4 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -44.7 | -39.1 | -175.6 | -36.9 | 37.8 | 0 | 0 | 0 | 115.3 | C457 T459 R460 V633 N1005 S1064 | C457-P519 VanDerWaalsContact SG-N 3.37Å; T459-P519 WeakPolarHBondContact OG1-CA 3.31Å; T459-P519 VanDerWaalsContact OG1-CB 3.26Å; T459-P519 WeakPolarHBondContact OG1-CB 3.27Å; T459-P519 PolarHBondContact OG1-O 3.11Å; T459-P519 VanDerWaalsContact OG1-O 3.11Å; R460-P519 PolarHBondContact NE-O 3.32Å; P519-V633 HydrophobicContact CB-CB 4.23Å; P519-V633 HydrophobicContact CB-CG1 4.33Å; P519-V633 HydrophobicContact CB-CG2 3.9Å; P519-N1005 WeakPolarHBondContact CD-OD1 3.23Å; P519-S1064 VanDerWaalsContact CD-CB 3.46Å; P519-S1064 VanDerWaalsContact CD-OG 3.24Å; P519-S1064 WeakPolarHBondContact CD-OG 3.4Å |
| 520 | L | 92.5 | Very high | 92.6 | Very high | 19.5 Ų | 19.5 | 27.2 Ų | 27.2 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -95.9 | -23.8 | -178.1 | -60.5 | -171.2 | 0 | 0 | 0 | 114.7 | R460 A518 I536 F631 V633 V859 N1005 | R460-L520 PolarHBondContact NE-O 2.94Å; R460-L520 PolarHBondContact NH2-O 3.32Å; A518-L520 PolarHBondContact O-N 3.09Å; L520-I536 HydrophobicContact CB-CB 4.2Å; L520-I536 HydrophobicContact CD2-CD1 3.83Å; L520-I536 PolarHBondContact O-N 2.89Å; L520-F631 HydrophobicContact CD2-CE2 4.22Å; L520-V633 HydrophobicContact CD2-CG2 4.35Å; L520-V633 HydrophobicContact CG-CG2 4.48Å; L520-V859 HydrophobicContact CD2-CG2 4.07Å; L520-N1005 HydrophobicContact CB-CB 4.38Å; L520-N1005 WeakPolarHBondContact CB-OD1 3.25Å; L520-N1005 HydrophobicContact CD1-CB 4.19Å; L520-N1005 HydrophobicContact CG-CB 4.31Å; L520-N1005 PolarHBondContact N-OD1 3.25Å |
| 521 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.2 | -167.4 | -65.8 | 0 | 0 | 0 | 0 | 114.3 | A518 W533 W534 I536 L1030 | A518-V521 HydrophobicContact CB-CG2 4.13Å; A518-V521 PolarHBondContact N-O 3.11Å; A518-V521 PolarHBondContact O-N 3.12Å; V521-W533 HydrophobicContact CB-CE3 4.38Å; V521-W533 HydrophobicContact CG1-CE3 3.81Å; V521-W533 HydrophobicContact CG1-CZ3 3.89Å; V521-W534 WeakPolarHBondContact CA-O 3.45Å; V521-W534 WeakPolarHBondContact CB-O 3.45Å; V521-I536 VanDerWaalsContact CG1-O 3.28Å; V521-I536 WeakPolarHBondContact CG1-O 3.38Å; V521-L1030 HydrophobicContact CG1-CD1 3.96Å; V521-L1030 HydrophobicContact CG2-CD1 4.37Å |
| 522 | T | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.4 | 166.6 | -58.7 | 0 | 0 | 0 | 0 | 109.4 | R460 T462 I515 T517 W533 W534 | R460-T522 WeakPolarHBondContact CD-OG1 3.34Å; T462-T522 HydrophobicContact CG2-CG2 4.08Å; T462-T522 PolarHBondContact OG1-OG1 3.45Å; I515-T522 HydrophobicContact CG2-CG2 3.82Å; T517-T522 HydrophobicContact CG2-CG2 4.12Å; T522-W533 CarbonylContact O-C 3.51Å; T522-W533 WeakPolarHBondContact O-CA 3.42Å; T522-W533 WeakPolarHBondContact O-CB 3.38Å; T522-W534 HydrophobicContact CG2-CH2 3.81Å; T522-W534 HydrophobicContact CG2-CZ2 3.71Å; T522-W534 HydrophobicContact CG2-CZ3 4.24Å; T522-W534 PolarHBondContact N-O 2.97Å; T522-W534 PolarHBondContact O-N 2.94Å |
| 523 | V | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.8 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | H516 V531 Y532 W533 L1001 T1003 I1008 | H516-V523 PolarHBondContact N-O 2.9Å; H516-V523 PolarHBondContact O-N 3.1Å; V523-V531 HydrophobicContact CG1-CG1 3.71Å; V523-Y532 WeakPolarHBondContact CA-O 3.3Å; V523-W533 HydrophobicContact CG2-CB 3.95Å; V523-L1001 HydrophobicContact CG1-CD2 4.15Å; V523-T1003 HydrophobicContact CB-CG2 4.48Å; V523-T1003 HydrophobicContact CG2-CG2 4.3Å; V523-T1003 VanDerWaalsContact CG2-OG1 3.29Å; V523-T1003 WeakPolarHBondContact CG2-OG1 3.26Å; V523-I1008 HydrophobicContact CG1-CD1 3.84Å; V523-I1008 HydrophobicContact CG1-CG1 4.36Å; V523-I1008 HydrophobicContact CG1-CG2 4.46Å; V523-I1008 HydrophobicContact CG2-CD1 3.85Å; V523-I1008 HydrophobicContact CG2-CG1 4.06Å |
| 524 | I | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150 | 176.7 | 60.5 | 169.3 | 0 | 0 | 0 | 111.9 | F470 L507 V512 Q514 I515 V531 Y532 W534 | F470-I524 HydrophobicContact CE1-CG2 4.08Å; F470-I524 HydrophobicContact CZ-CD1 4.32Å; F470-I524 HydrophobicContact CZ-CG2 4.35Å; L507-I524 HydrophobicContact CD1-CD1 3.44Å; L507-I524 VanDerWaalsContact CD1-CD1 3.44Å; L507-I524 HydrophobicContact CD2-CD1 3.83Å; L507-I524 HydrophobicContact CG-CD1 4.31Å; V512-I524 HydrophobicContact CG1-CB 4Å; V512-I524 HydrophobicContact CG1-CG2 4.21Å; V512-I524 HydrophobicContact CG2-CD1 3.97Å; Q514-I524 WeakPolarHBondContact O-CA 3.38Å; I515-I524 HydrophobicContact CB-CG2 4.41Å; I515-I524 HydrophobicContact CG1-CG2 4.14Å; I515-I524 HydrophobicContact CG2-CG2 4.15Å; I524-V531 WeakPolarHBondContact O-CA 3.37Å; I524-Y532 HydrophobicContact CD1-CD2 4.37Å; I524-Y532 HydrophobicContact CG1-CD2 4.37Å; I524-Y532 PolarHBondContact N-O 2.86Å; I524-Y532 PolarHBondContact O-N 2.99Å; I524-Y532 VanDerWaalsContact O-N 3.09Å; I524-W534 HydrophobicContact CB-CZ3 4.38Å; I524-W534 HydrophobicContact CD1-CZ3 3.92Å; I524-W534 HydrophobicContact CG1-CZ3 3.93Å; I524-W534 HydrophobicContact CG2-CH2 3.68Å; I524-W534 HydrophobicContact CG2-CZ3 3.62Å |
| 525 | R | 93.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 16.3 Ų | 16.3 | 11% | 0.106 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.2 | 173.2 | 178 | -165.8 | 166.1 | 170.2 | 4.6 | 109.8 | I513 Q514 I998 | I513-R525 PolarHBondContact N-O 2.88Å; Q514-R525 HydrophobicContact CB-CB 4.26Å; Q514-R525 PolarHBondContact N-O 3.31Å; Q514-R525 PolarHBondContact O-N 3.1Å; R525-I998 HydrophobicContact CG-CD1 4.41Å; R525-I998 VanDerWaalsContact CZ-O 3.25Å; R525-I998 PolarHBondContact NH1-O 2.84Å; R525-I998 VanDerWaalsContact NH1-O 3.12Å; R525-I998 PolarHBondContact NH2-O 3.18Å |
| 526 | C | 92.5 | Very high | 93.3 | Very high | 0.5 Ų | 0.5 | 15.5 Ų | 15.5 | 0% | 0.003 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 164.2 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | E510 S511 S528 G529 S530 Y532 | E510-C526 HydrophobicContact CB-CB 4.12Å; E510-C526 HydrophobicContact CG-CB 4.47Å; E510-C526 WeakPolarHBondContact OE2-CB 3.31Å; S511-C526 CarbonylContact O-C 3.5Å; S511-C526 VanDerWaalsContact O-CA 3.27Å; S511-C526 WeakPolarHBondContact O-CA 3.41Å; C526-S528 VanDerWaalsContact C-N 3.27Å; C526-S528 PolarHBondContact O-N 2.92Å; C526-G529 PolarHBondContact O-N 2.84Å; C526-S530 PolarHBondContact N-O 3.42Å; C526-Y532 VanDerWaalsContact SG-CE2 3.56Å |
| 527 | L | 88.3 | Confident | 93.1 | Very high | 122 Ų | 122 | 15.8 Ų | 15.8 | 64% | 0.639 | 9% | 0.087 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -29.1 | -179.6 | 178.2 | 61.2 | 0 | 0 | 0 | 113.1 | S511 I513 G529 | S511-L527 WeakPolarHBondContact O-CB 3.38Å; S511-L527 PolarHBondContact O-N 2.91Å; I513-L527 HydrophobicContact CD1-CB 4.15Å; I513-L527 HydrophobicContact CD1-CD1 3.87Å; I513-L527 HydrophobicContact CG1-CB 4.29Å; L527-G529 PolarHBondContact O-N 2.98Å |
| 528 | S | 86.7 | Confident | 92.9 | Very high | 54.5 Ų | 54.5 | 15.2 Ų | 15.2 | 38% | 0.381 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.2 | 168.6 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | E510 C526 S530 A973 | E510-S528 VanDerWaalsContact CD-OG 3.27Å; E510-S528 PolarHBondContact OE1-OG 3.02Å; E510-S528 WeakPolarHBondContact OE2-CB 3.37Å; E510-S528 PolarHBondContact OE2-OG 3.12Å; C526-S528 VanDerWaalsContact C-N 3.27Å; C526-S528 PolarHBondContact O-N 2.92Å; S528-S530 VanDerWaalsContact OG-CB 3.32Å; S528-S530 WeakPolarHBondContact OG-CB 3.27Å; S528-S530 PolarHBondContact OG-N 3.2Å; S528-S530 PolarHBondContact OG-OG 3.35Å; S528-S530 VanDerWaalsContact OG-OG 3.1Å; S528-A973 WeakPolarHBondContact O-CB 3.3Å |
| 529 | G | 85.1 | Confident | 92.8 | Very high | 13.5 Ų | 13.5 | 17.7 Ų | 17.7 | 14% | 0.139 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 90.9 | -5.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C526 L527 I998 | C526-G529 PolarHBondContact O-N 2.84Å; L527-G529 PolarHBondContact O-N 2.98Å; G529-I998 WeakPolarHBondContact O-CD1 3.37Å |
| 530 | S | 90.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.028 | 11% | 0.109 | C | C | . | . | trans | -59.4 | 142.1 | 171 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | E510 C526 S528 Y532 | E510-S530 WeakPolarHBondContact OE1-CB 3.46Å; E510-S530 PolarHBondContact OE1-OG 3.22Å; C526-S530 PolarHBondContact N-O 3.42Å; S528-S530 VanDerWaalsContact OG-CB 3.32Å; S528-S530 WeakPolarHBondContact OG-CB 3.27Å; S528-S530 PolarHBondContact OG-N 3.2Å; S528-S530 PolarHBondContact OG-OG 3.35Å; S528-S530 VanDerWaalsContact OG-OG 3.1Å; S530-Y532 VanDerWaalsContact CB-CE2 3.42Å | ||
| 531 | V | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.4 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | V523 I524 R969 V970 F971 I998 L1001 I1008 | V523-V531 HydrophobicContact CG1-CG1 3.71Å; I524-V531 WeakPolarHBondContact O-CA 3.37Å; V531-R969 WeakPolarHBondContact O-CA 3.27Å; V531-V970 HydrophobicContact CG1-CB 4.42Å; V531-V970 HydrophobicContact CG1-CG2 4.1Å; V531-V970 PolarHBondContact O-N 2.95Å; V531-F971 HydrophobicContact CB-CE1 4.11Å; V531-F971 HydrophobicContact CB-CZ 4.14Å; V531-F971 HydrophobicContact CG2-CE1 4.03Å; V531-F971 HydrophobicContact CG2-CE2 4.17Å; V531-F971 HydrophobicContact CG2-CZ 3.6Å; V531-F971 VanDerWaalsContact CG2-CZ 3.49Å; V531-F971 PolarHBondContact N-O 2.81Å; V531-I998 HydrophobicContact CG2-CD1 3.64Å; V531-L1001 HydrophobicContact CG1-CD1 4.09Å; V531-L1001 HydrophobicContact CG2-CD1 3.88Å; V531-I1008 HydrophobicContact CG1-CD1 4.25Å |
| 532 | Y | 95.4 | Very high | 92.4 | Very high | 3.5 Ų | 3.5 | 21.3 Ų | 21.3 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.8 | 178.4 | -54.9 | -107.5 | 0 | 0 | 0 | 110.7 | L507 E510 V523 I524 C526 S530 P967 R968 R969 | L507-Y532 HydrophobicContact CD2-CD1 4.05Å; L507-Y532 HydrophobicContact CD2-CD2 3.79Å; L507-Y532 HydrophobicContact CD2-CE1 4.03Å; L507-Y532 HydrophobicContact CD2-CE2 3.76Å; L507-Y532 HydrophobicContact CD2-CG 3.95Å; E510-Y532 HydrophobicContact CG-CE2 4.34Å; E510-Y532 WeakPolarHBondContact OE1-CE2 3.33Å; E510-Y532 PolarHBondContact OE1-OH 2.88Å; V523-Y532 WeakPolarHBondContact CA-O 3.3Å; I524-Y532 HydrophobicContact CD1-CD2 4.37Å; I524-Y532 HydrophobicContact CG1-CD2 4.37Å; I524-Y532 PolarHBondContact N-O 2.86Å; I524-Y532 PolarHBondContact O-N 2.99Å; I524-Y532 VanDerWaalsContact O-N 3.09Å; C526-Y532 VanDerWaalsContact SG-CE2 3.56Å; S530-Y532 VanDerWaalsContact CB-CE2 3.42Å; Y532-P967 HydrophobicContact CD1-CB 4.26Å; Y532-P967 HydrophobicContact CG-CB 4.39Å; Y532-R968 CarbonylContact C-O 3.57Å; Y532-R968 VanDerWaalsContact CA-O 3.31Å; Y532-R968 WeakPolarHBondContact CA-O 3.46Å; Y532-R969 HydrophobicContact CD1-CB 3.72Å; Y532-R969 HydrophobicContact CD1-CG 4.11Å; Y532-R969 HydrophobicContact CE1-CB 3.69Å; Y532-R969 HydrophobicContact CE1-CG 3.86Å; Y532-R969 HydrophobicContact CG-CB 4.48Å; Y532-R969 VanDerWaalsContact CZ-NE 3.35Å; Y532-R969 VanDerWaalsContact OH-CZ 3.26Å; Y532-R969 PolarHBondContact OH-NE 3.14Å; Y532-R969 PolarHBondContact OH-NH2 3.05Å |
| 533 | W | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156 | 175.2 | 74.5 | -76.6 | 0 | 0 | 0 | 113 | V521 T522 V523 Y537 M541 Q964 P967 R968 V970 L1030 | V521-W533 HydrophobicContact CB-CE3 4.38Å; V521-W533 HydrophobicContact CG1-CE3 3.81Å; V521-W533 HydrophobicContact CG1-CZ3 3.89Å; T522-W533 CarbonylContact O-C 3.51Å; T522-W533 WeakPolarHBondContact O-CA 3.42Å; T522-W533 WeakPolarHBondContact O-CB 3.38Å; V523-W533 HydrophobicContact CG2-CB 3.95Å; W533-Y537 AromaticContact CH2-CD1 3.74Å; W533-Y537 HydrophobicContact CH2-CD1 3.74Å; W533-Y537 HydrophobicContact CH2-CE1 4.06Å; W533-Y537 HydrophobicContact CZ3-CD1 4.4Å; W533-M541 HydrophobicContact CH2-CE 4.11Å; W533-M541 HydrophobicContact CH2-SD 4.22Å; W533-M541 HydrophobicContact CZ2-CE 4.1Å; W533-M541 HydrophobicContact CZ2-SD 4.2Å; W533-Q964 HydrophobicContact CE3-CB 4.4Å; W533-Q964 HydrophobicContact CH2-CB 4.02Å; W533-Q964 HydrophobicContact CH2-CG 4.34Å; W533-Q964 HydrophobicContact CZ2-CG 4.34Å; W533-Q964 HydrophobicContact CZ3-CB 3.9Å; W533-Q964 HydrophobicContact CZ3-CG 4.37Å; W533-P967 CarbonylContact O-C 3.54Å; W533-P967 WeakPolarHBondContact O-CA 3.27Å; W533-R968 PolarHBondContact N-O 3.22Å; W533-R968 PolarHBondContact O-N 2.8Å; W533-V970 HydrophobicContact CG-CG2 4.37Å; W533-L1030 HydrophobicContact CB-CD2 4.3Å; W533-L1030 HydrophobicContact CD2-CB 4.17Å; W533-L1030 HydrophobicContact CD2-CD1 4.47Å; W533-L1030 HydrophobicContact CD2-CD2 3.91Å; W533-L1030 HydrophobicContact CD2-CG 4.41Å; W533-L1030 VanDerWaalsContact CE2-O 3.27Å; W533-L1030 HydrophobicContact CE3-CB 4.49Å; W533-L1030 HydrophobicContact CE3-CD1 4.12Å; W533-L1030 HydrophobicContact CE3-CD2 4.25Å; W533-L1030 HydrophobicContact CG-CD2 3.93Å; W533-L1030 HydrophobicContact CH2-CB 4.1Å; W533-L1030 HydrophobicContact CH2-CD1 4.4Å; W533-L1030 HydrophobicContact CZ2-CB 3.74Å; W533-L1030 VanDerWaalsContact CZ2-O 3.29Å; W533-L1030 WeakPolarHBondContact CZ2-O 3.27Å; W533-L1030 HydrophobicContact CZ3-CB 4.44Å; W533-L1030 HydrophobicContact CZ3-CD1 4.08Å; W533-L1030 PolarHBondContact NE1-O 3Å |
| 534 | W | 95.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 174.1 | 169.4 | 68.5 | 100 | 0 | 0 | 0 | 111.2 | T462 F470 T472 H499 F504 V521 T522 I524 Q964 P967 | T462-W534 HydrophobicContact CG2-CH2 4.45Å; T462-W534 HydrophobicContact CG2-CZ2 3.9Å; F470-W534 HydrophobicContact CB-CZ2 4.33Å; F470-W534 AromaticContact CD1-CH2 3.69Å; F470-W534 HydrophobicContact CD1-CH2 3.69Å; F470-W534 AromaticContact CD1-CZ2 3.98Å; F470-W534 HydrophobicContact CD1-CZ2 4Å; F470-W534 AromaticContact CE1-CH2 3.91Å; F470-W534 HydrophobicContact CE1-CH2 3.91Å; F470-W534 HydrophobicContact CG-CH2 4.07Å; F470-W534 HydrophobicContact CG-CZ2 4.25Å; F470-W534 HydrophobicContact CZ-CH2 4.49Å; T472-W534 PolarHBondContact OG1-NE1 3.28Å; H499-W534 AromaticContact NE2-CD1 3.83Å; H499-W534 AromaticContact NE2-CE2 3.98Å; H499-W534 AromaticContact NE2-NE1 3.22Å; H499-W534 PolarHBondContact NE2-NE1 3.31Å; H499-W534 VanDerWaalsContact NE2-NE1 3.12Å; F504-W534 HydrophobicContact CE2-CZ2 4.33Å; V521-W534 WeakPolarHBondContact CA-O 3.45Å; V521-W534 WeakPolarHBondContact CB-O 3.45Å; T522-W534 HydrophobicContact CG2-CH2 3.81Å; T522-W534 HydrophobicContact CG2-CZ2 3.71Å; T522-W534 HydrophobicContact CG2-CZ3 4.24Å; T522-W534 PolarHBondContact N-O 2.97Å; T522-W534 PolarHBondContact O-N 2.94Å; I524-W534 HydrophobicContact CB-CZ3 4.38Å; I524-W534 HydrophobicContact CD1-CZ3 3.92Å; I524-W534 HydrophobicContact CG1-CZ3 3.93Å; I524-W534 HydrophobicContact CG2-CH2 3.68Å; I524-W534 HydrophobicContact CG2-CZ3 3.62Å; W534-Q964 HydrophobicContact CB-CG 4.45Å; W534-Q964 WeakPolarHBondContact CB-O 3.46Å; W534-P967 HydrophobicContact CD2-CG 4.49Å; W534-P967 HydrophobicContact CE3-CB 4.06Å; W534-P967 HydrophobicContact CE3-CG 3.88Å; W534-P967 HydrophobicContact CZ3-CB 4.45Å; W534-P967 HydrophobicContact CZ3-CG 4.17Å |
| 535 | G | 94.3 | Very high | 91.3 | Very high | 1.5 Ų | 1.5 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.9 | -155.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q964 | G535-Q964 PolarHBondContact N-O 3.16Å; G535-Q964 WeakPolarHBondContact O-CB 3.34Å; G535-Q964 PolarHBondContact O-N 3.08Å |
| 536 | I | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 136 | -167.3 | -58.1 | 153.9 | 0 | 0 | 0 | 110.6 | I497 L520 V521 F631 V859 V963 | I497-I536 HydrophobicContact CD1-CD1 3.9Å; I497-I536 HydrophobicContact CD1-CG1 4.08Å; I497-I536 HydrophobicContact CG1-CD1 4.16Å; I497-I536 HydrophobicContact CG1-CG1 3.92Å; I497-I536 HydrophobicContact CG2-CD1 4.08Å; I497-I536 HydrophobicContact CG2-CG1 4.13Å; L520-I536 HydrophobicContact CB-CB 4.2Å; L520-I536 HydrophobicContact CD2-CD1 3.83Å; L520-I536 PolarHBondContact O-N 2.89Å; V521-I536 VanDerWaalsContact CG1-O 3.28Å; V521-I536 WeakPolarHBondContact CG1-O 3.38Å; I536-F631 HydrophobicContact CD1-CZ 3.72Å; I536-V859 HydrophobicContact CD1-CG1 4.44Å; I536-V859 HydrophobicContact CG2-CG1 3.99Å; I536-V859 HydrophobicContact CG2-CG2 4Å; I536-V963 HydrophobicContact CG1-CG2 4.45Å |
| 537 | Y | 92.2 | Very high | 90.4 | Very high | 51.5 Ų | 51.5 | 39 Ų | 39 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 136.1 | 176.9 | -78.1 | -0.2 | 0 | 0 | 0 | 111.9 | W533 M541 R542 V962 Q964 | W533-Y537 AromaticContact CH2-CD1 3.74Å; W533-Y537 HydrophobicContact CH2-CD1 3.74Å; W533-Y537 HydrophobicContact CH2-CE1 4.06Å; W533-Y537 HydrophobicContact CZ3-CD1 4.4Å; Y537-M541 HydrophobicContact CD1-CE 3.69Å; Y537-M541 HydrophobicContact CD2-CB 4.15Å; Y537-M541 HydrophobicContact CD2-CE 4.2Å; Y537-M541 HydrophobicContact CE1-CE 3.59Å; Y537-M541 HydrophobicContact CE2-CE 4.17Å; Y537-M541 HydrophobicContact CG-CB 4.08Å; Y537-M541 HydrophobicContact CG-CE 3.96Å; Y537-R542 WeakPolarHBondContact O-CD 3.39Å; Y537-R542 VanDerWaalsContact O-CG 3.23Å; Y537-R542 WeakPolarHBondContact O-CG 3.49Å; Y537-R542 PolarHBondContact O-NE 2.92Å; Y537-V962 WeakPolarHBondContact CB-O 3.39Å; Y537-V962 HydrophobicContact CD2-CB 4.42Å; Y537-V962 PolarHBondContact N-O 2.91Å; Y537-Q964 HydrophobicContact CD1-CB 4.28Å; Y537-Q964 HydrophobicContact CE1-CB 3.86Å; Y537-Q964 PolarHBondContact OH-OE1 3.15Å |
| 538 | P | 91.4 | Very high | 90.2 | Very high | 3.5 Ų | 3.5 | 39.6 Ų | 39.6 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 158.9 | 172.1 | 29.5 | -36.7 | 0 | 0 | 0 | 111.3 | Y540 M541 R542 L1030 | P538-Y540 VanDerWaalsContact C-N 3.3Å; P538-Y540 HydrophobicContact CB-CD1 3.92Å; P538-Y540 HydrophobicContact CB-CE1 3.66Å; P538-Y540 HydrophobicContact CG-CD1 3.85Å; P538-Y540 HydrophobicContact CG-CE1 3.26Å; P538-Y540 PolarHBondContact O-N 3.37Å; P538-Y540 VanDerWaalsContact O-N 3.1Å; P538-M541 HydrophobicContact CG-CB 4.16Å; P538-M541 HydrophobicContact CG-CG 3.96Å; P538-M541 HydrophobicContact CG-SD 3.9Å; P538-M541 WeakPolarHBondContact O-CA 3.36Å; P538-M541 WeakPolarHBondContact O-CB 3.22Å; P538-M541 PolarHBondContact O-N 2.81Å; P538-R542 PolarHBondContact O-N 3.11Å; P538-L1030 HydrophobicContact CB-CD1 4.49Å; P538-L1030 HydrophobicContact CG-CB 4.38Å; P538-L1030 HydrophobicContact CG-CD1 4Å |
| 539 | S | 90.4 | Very high | 89.6 | Confident | 51.5 Ų | 51.5 | 40.5 Ų | 40.5 | 36% | 0.36 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -42.8 | -49.2 | -175.4 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | M541 R542 Q543 S856 | S539-M541 VanDerWaalsContact C-N 3.34Å; S539-M541 PolarHBondContact O-N 3.19Å; S539-R542 PolarHBondContact O-N 3.08Å; S539-R542 VanDerWaalsContact O-N 3.16Å; S539-Q543 WeakPolarHBondContact O-CB 3.42Å; S539-Q543 PolarHBondContact O-N 2.93Å; S539-S856 VanDerWaalsContact CB-O 3.29Å; S539-S856 WeakPolarHBondContact CB-O 3.29Å |
| 540 | Y | 90.6 | Very high | 89.2 | Confident | 68 Ų | 68 | 43.9 Ų | 43.9 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.6 | -31.2 | 179.7 | 74 | -89.3 | 0 | 0 | 0 | 114.1 | P538 R544 N1029 L1030 S1031 | P538-Y540 VanDerWaalsContact C-N 3.3Å; P538-Y540 HydrophobicContact CB-CD1 3.92Å; P538-Y540 HydrophobicContact CB-CE1 3.66Å; P538-Y540 HydrophobicContact CG-CD1 3.85Å; P538-Y540 HydrophobicContact CG-CE1 3.26Å; P538-Y540 PolarHBondContact O-N 3.37Å; P538-Y540 VanDerWaalsContact O-N 3.1Å; Y540-R544 WeakPolarHBondContact O-CB 3.28Å; Y540-R544 PolarHBondContact O-N 3.09Å; Y540-N1029 WeakPolarHBondContact OH-CB 3.25Å; Y540-L1030 PolarHBondContact OH-N 2.85Å; Y540-S1031 PolarHBondContact OH-N 3.07Å |
| 541 | M | 92.2 | Very high | 88.2 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -76.2 | -39.5 | 173.9 | -73.4 | -177.2 | 59.4 | 0 | 0 | 111.2 | W533 Y537 P538 S539 R544 A545 L1030 | W533-M541 HydrophobicContact CH2-CE 4.11Å; W533-M541 HydrophobicContact CH2-SD 4.22Å; W533-M541 HydrophobicContact CZ2-CE 4.1Å; W533-M541 HydrophobicContact CZ2-SD 4.2Å; Y537-M541 HydrophobicContact CD1-CE 3.69Å; Y537-M541 HydrophobicContact CD2-CB 4.15Å; Y537-M541 HydrophobicContact CD2-CE 4.2Å; Y537-M541 HydrophobicContact CE1-CE 3.59Å; Y537-M541 HydrophobicContact CE2-CE 4.17Å; Y537-M541 HydrophobicContact CG-CB 4.08Å; Y537-M541 HydrophobicContact CG-CE 3.96Å; P538-M541 HydrophobicContact CG-CB 4.16Å; P538-M541 HydrophobicContact CG-CG 3.96Å; P538-M541 HydrophobicContact CG-SD 3.9Å; P538-M541 WeakPolarHBondContact O-CA 3.36Å; P538-M541 WeakPolarHBondContact O-CB 3.22Å; P538-M541 PolarHBondContact O-N 2.81Å; S539-M541 VanDerWaalsContact C-N 3.34Å; S539-M541 PolarHBondContact O-N 3.19Å; M541-R544 PolarHBondContact O-N 3.08Å; M541-A545 WeakPolarHBondContact O-CB 3.39Å; M541-A545 PolarHBondContact O-N 3.36Å; M541-L1030 HydrophobicContact SD-CB 4.44Å |
| 542 | R | 90.4 | Very high | 86.9 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 6% | 0.064 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.8 | -59.5 | -166.7 | -65.8 | 131.1 | -2.4 | 111.6 | Y537 P538 S539 R544 A545 I546 S856 V858 V962 | Y537-R542 WeakPolarHBondContact O-CD 3.39Å; Y537-R542 VanDerWaalsContact O-CG 3.23Å; Y537-R542 WeakPolarHBondContact O-CG 3.49Å; Y537-R542 PolarHBondContact O-NE 2.92Å; P538-R542 PolarHBondContact O-N 3.11Å; S539-R542 PolarHBondContact O-N 3.08Å; S539-R542 VanDerWaalsContact O-N 3.16Å; R542-R544 VanDerWaalsContact C-N 3.34Å; R542-R544 PolarHBondContact O-N 3.15Å; R542-A545 PolarHBondContact O-N 3.44Å; R542-A545 VanDerWaalsContact O-N 3.16Å; R542-I546 WeakPolarHBondContact O-CD1 3.34Å; R542-I546 WeakPolarHBondContact O-CG1 3.31Å; R542-I546 PolarHBondContact O-N 2.89Å; R542-S856 PolarHBondContact NH2-O 3.13Å; R542-V858 VanDerWaalsContact CZ-O 3.28Å; R542-V858 PolarHBondContact NH1-O 3.22Å; R542-V858 PolarHBondContact NH2-O 3.43Å; R542-V962 HydrophobicContact CB-CG1 4.01Å; R542-V962 HydrophobicContact CG-CB 3.94Å; R542-V962 HydrophobicContact CG-CG1 3.64Å |
| 543 | Q | 89.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 58 Ų | 58 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 173 | -175.1 | 175.8 | 22.8 | 0 | 0 | 111.9 | S539 A545 I546 E547 T650 | S539-Q543 WeakPolarHBondContact O-CB 3.42Å; S539-Q543 PolarHBondContact O-N 2.93Å; Q543-A545 VanDerWaalsContact C-N 3.34Å; Q543-A545 PolarHBondContact O-N 3.2Å; Q543-I546 PolarHBondContact O-N 3.22Å; Q543-E547 WeakPolarHBondContact O-CB 3.26Å; Q543-E547 PolarHBondContact O-N 3.33Å; Q543-T650 HydrophobicContact CB-CG2 4.49Å; Q543-T650 WeakPolarHBondContact CG-OG1 3.45Å; Q543-T650 PolarHBondContact NE2-OG1 2.91Å |
| 544 | R | 88.9 | Confident | 83.3 | Confident | 177 Ų | 177 | 61.9 Ų | 61.9 | 67% | 0.668 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65 | -35.6 | 176.3 | -173.5 | -179.8 | -71.7 | -167.1 | -4.2 | 112.8 | Y540 M541 R542 K548 | Y540-R544 WeakPolarHBondContact O-CB 3.28Å; Y540-R544 PolarHBondContact O-N 3.09Å; M541-R544 PolarHBondContact O-N 3.08Å; R542-R544 VanDerWaalsContact C-N 3.34Å; R542-R544 PolarHBondContact O-N 3.15Å; R544-K548 WeakPolarHBondContact O-CB 3.34Å; R544-K548 WeakPolarHBondContact O-CG 3.45Å; R544-K548 PolarHBondContact O-N 2.97Å; R544-K548 VanDerWaalsContact O-N 3.16Å |
| 545 | A | 86.7 | Confident | 80.9 | Confident | 28.5 Ų | 28.5 | 65.6 Ų | 65.6 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M541 R542 Q543 E547 K548 M549 | M541-A545 WeakPolarHBondContact O-CB 3.39Å; M541-A545 PolarHBondContact O-N 3.36Å; R542-A545 PolarHBondContact O-N 3.44Å; R542-A545 VanDerWaalsContact O-N 3.16Å; Q543-A545 VanDerWaalsContact C-N 3.34Å; Q543-A545 PolarHBondContact O-N 3.2Å; A545-E547 PolarHBondContact O-N 3.44Å; A545-K548 PolarHBondContact O-N 3.29Å; A545-M549 PolarHBondContact O-N 3.02Å |
| 546 | I | 83.2 | Confident | 78.7 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 174.7 | -72.9 | 158.7 | 0 | 0 | 0 | 110.9 | R542 Q543 K548 M549 R550 I623 F624 T650 P960 | R542-I546 WeakPolarHBondContact O-CD1 3.34Å; R542-I546 WeakPolarHBondContact O-CG1 3.31Å; R542-I546 PolarHBondContact O-N 2.89Å; Q543-I546 PolarHBondContact O-N 3.22Å; I546-K548 PolarHBondContact O-N 3.18Å; I546-M549 WeakPolarHBondContact O-CB 3.45Å; I546-M549 PolarHBondContact O-N 3.2Å; I546-M549 VanDerWaalsContact O-N 3.13Å; I546-R550 WeakPolarHBondContact O-CG 3.48Å; I546-R550 PolarHBondContact O-N 2.86Å; I546-I623 HydrophobicContact CD1-CG2 4.01Å; I546-I623 HydrophobicContact CG1-CG2 4.18Å; I546-I623 HydrophobicContact CG2-CD1 4Å; I546-I623 HydrophobicContact CG2-CG1 4.18Å; I546-I623 HydrophobicContact CG2-CG2 3.66Å; I546-F624 HydrophobicContact CD1-CE2 4.29Å; I546-F624 HydrophobicContact CD1-CZ 4.14Å; I546-T650 HydrophobicContact CD1-CG2 3.44Å; I546-T650 VanDerWaalsContact CD1-CG2 3.44Å; I546-P960 HydrophobicContact CG1-CB 4.38Å; I546-P960 HydrophobicContact CG1-CG 3.81Å |
| 547 | E | 84.5 | Confident | 76.4 | Confident | 88.5 Ų | 88.5 | 74.3 Ų | 74.3 | 41% | 0.414 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | -178.7 | -178.1 | 52.6 | -153 | 0 | 0 | 111.8 | Q543 A545 M549 R550 Q551 | Q543-E547 WeakPolarHBondContact O-CB 3.26Å; Q543-E547 PolarHBondContact O-N 3.33Å; A545-E547 PolarHBondContact O-N 3.44Å; E547-M549 VanDerWaalsContact C-N 3.28Å; E547-M549 PolarHBondContact O-N 2.97Å; E547-R550 PolarHBondContact O-N 3.14Å; E547-R550 VanDerWaalsContact O-N 3.09Å; E547-Q551 WeakPolarHBondContact O-CG 3.3Å; E547-Q551 PolarHBondContact O-N 2.91Å; E547-Q551 WeakPolarHBondContact OE1-CG 3.25Å; E547-Q551 PolarHBondContact OE1-NE2 2.92Å |
| 548 | K | 83.5 | Confident | 73.7 | Confident | 135 Ų | 135 | 76.4 Ų | 76.4 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.8 | -39.6 | 171.4 | -124.8 | -179.9 | 176.5 | -170.6 | 0 | 112.3 | R544 A545 I546 N552 | R544-K548 WeakPolarHBondContact O-CB 3.34Å; R544-K548 WeakPolarHBondContact O-CG 3.45Å; R544-K548 PolarHBondContact O-N 2.97Å; R544-K548 VanDerWaalsContact O-N 3.16Å; A545-K548 PolarHBondContact O-N 3.29Å; I546-K548 PolarHBondContact O-N 3.18Å; K548-N552 PolarHBondContact O-N 3.24Å; K548-N552 VanDerWaalsContact O-N 3.17Å |
| 549 | M | 74.9 | Confident | 71 | Confident | 72.5 Ų | 72.5 | 85.5 Ų | 85.5 | 36% | 0.357 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 175.6 | -165.5 | -161 | -113.7 | 0 | 0 | 112.1 | A545 I546 E547 P960 | A545-M549 PolarHBondContact O-N 3.02Å; I546-M549 WeakPolarHBondContact O-CB 3.45Å; I546-M549 PolarHBondContact O-N 3.2Å; I546-M549 VanDerWaalsContact O-N 3.13Å; E547-M549 VanDerWaalsContact C-N 3.28Å; E547-M549 PolarHBondContact O-N 2.97Å; M549-P960 HydrophobicContact CE-CB 4.1Å; M549-P960 HydrophobicContact CE-CG 3.97Å; M549-P960 HydrophobicContact SD-CG 4.1Å |
| 550 | R | 74.9 | Confident | 68.2 | Low | 85.5 Ų | 85.5 | 93.8 Ų | 93.8 | 32% | 0.323 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.9 | -45 | 176.4 | -68.7 | -179.3 | 77.3 | 92.3 | -2.6 | 111.6 | I546 E547 N552 R553 A621 | I546-R550 WeakPolarHBondContact O-CG 3.48Å; I546-R550 PolarHBondContact O-N 2.86Å; E547-R550 PolarHBondContact O-N 3.14Å; E547-R550 VanDerWaalsContact O-N 3.09Å; R550-N552 VanDerWaalsContact C-N 3.33Å; R550-N552 PolarHBondContact O-N 3.21Å; R550-R553 WeakPolarHBondContact O-CB 3.19Å; R550-R553 PolarHBondContact O-N 3.3Å; R550-R553 VanDerWaalsContact O-N 3.07Å; R550-A621 PolarHBondContact NH1-O 3.09Å; R550-A621 PolarHBondContact NH2-O 3.19Å |
| 551 | Q | 70.5 | Confident | 65.3 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 179.1 | -70.3 | 176.1 | 5.1 | 0 | 0 | 112.5 | E547 R553 V554 S555 | E547-Q551 WeakPolarHBondContact O-CG 3.3Å; E547-Q551 PolarHBondContact O-N 2.91Å; E547-Q551 WeakPolarHBondContact OE1-CG 3.25Å; E547-Q551 PolarHBondContact OE1-NE2 2.92Å; Q551-R553 PolarHBondContact O-N 3.07Å; Q551-R553 VanDerWaalsContact O-N 3.11Å; Q551-V554 PolarHBondContact O-N 3.04Å; Q551-S555 PolarHBondContact O-N 3.12Å; Q551-S555 VanDerWaalsContact O-N 3.16Å; Q551-S555 PolarHBondContact O-OG 3.16Å |
| 552 | N | 65.6 | Low | 62.3 | Low | 115 Ų | 115 | 103.6 Ų | 103.6 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.7 | 175.5 | -77.4 | -6 | 0 | 0 | 0 | 114.3 | K548 R550 | K548-N552 PolarHBondContact O-N 3.24Å; K548-N552 VanDerWaalsContact O-N 3.17Å; R550-N552 VanDerWaalsContact C-N 3.33Å; R550-N552 PolarHBondContact O-N 3.21Å |
| 553 | R | 61.7 | Low | 59.5 | Low | 85 Ų | 85 | 109.2 Ų | 109.2 | 32% | 0.321 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.2 | -13.3 | 173.7 | -59.5 | 179.1 | -173.8 | -158.5 | 4.3 | 113.5 | R550 Q551 S556 | R550-R553 WeakPolarHBondContact O-CB 3.19Å; R550-R553 PolarHBondContact O-N 3.3Å; R550-R553 VanDerWaalsContact O-N 3.07Å; Q551-R553 PolarHBondContact O-N 3.07Å; Q551-R553 VanDerWaalsContact O-N 3.11Å; R553-S556 PolarHBondContact O-OG 3.14Å |
| 554 | V | 55 | Low | 57 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | -40.1 | -176.8 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | Q551 S556 V557 | Q551-V554 PolarHBondContact O-N 3.04Å; V554-S556 PolarHBondContact O-N 3.32Å; V554-V557 PolarHBondContact O-N 3.09Å; V554-V557 VanDerWaalsContact O-N 3.13Å |
| 555 | S | 46.4 | Very low | 54.3 | Low | 82 Ų | 82 | 107.2 Ų | 107.2 | 57% | 0.573 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -16.4 | -177.2 | 1.6 | 0 | 0 | 0 | 0 | 114.6 | Q551 V557 | Q551-S555 PolarHBondContact O-N 3.12Å; Q551-S555 VanDerWaalsContact O-N 3.16Å; Q551-S555 PolarHBondContact O-OG 3.16Å; S555-V557 VanDerWaalsContact C-N 3.28Å; S555-V557 PolarHBondContact O-N 3.15Å |
| 556 | S | 46.7 | Very low | 51.9 | Low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -10.9 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | R553 V554 | R553-S556 PolarHBondContact O-OG 3.14Å; V554-S556 PolarHBondContact O-N 3.32Å |
| 557 | V | 45.6 | Very low | 49.4 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 53% | 0.533 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | -29.5 | -174.1 | -177.6 | 0 | 0 | 0 | 0 | 113.3 | V554 S555 K559 | V554-V557 PolarHBondContact O-N 3.09Å; V554-V557 VanDerWaalsContact O-N 3.13Å; S555-V557 VanDerWaalsContact C-N 3.28Å; S555-V557 PolarHBondContact O-N 3.15Å; V557-K559 PolarHBondContact O-N 2.93Å |
| 558 | S | 36.1 | Very low | 47 | Very low | 96.5 Ų | 96.5 | 124 Ų | 124 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | trans | -104.4 | 43.6 | -163.6 | -54.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 559 | K | 33.1 | Very low | 44.6 | Very low | 195 Ų | 195 | 121.3 Ų | 121.3 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | -135.5 | 58.9 | 174.6 | -131.8 | 176.2 | -173.6 | 176.9 | 0 | 114.4 | V557 | V557-K559 PolarHBondContact O-N 2.93Š| ||
| 560 | R | 32 | Very low | 42.6 | Very low | 225 Ų | 225 | 122.9 Ų | 122.9 | 85% | 0.849 | 70% | 0.695 | S | S | * | * | trans | -177.3 | 100.1 | 156.6 | -104 | 163.1 | -170.8 | -173.2 | 2.9 | 113 | S607 | R560-S607 PolarHBondContact NH1-OG 3.28Š| ||
| 561 | T | 29.9 | Very low | 40.7 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 86% | 0.859 | 72% | 0.716 | S | S | * | * | trans | -148.3 | 83.5 | 156.6 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 562 | N | 29.5 | Very low | 39 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | -169.3 | 119.1 | 152.4 | -119.2 | -17.6 | 0 | 0 | 0 | 112.7 | ||||
| 563 | V | 31.7 | Very low | 37.4 | Very low | 134.5 Ų | 134.5 | 135.2 Ų | 135.2 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | 132.1 | 117.7 | 150.1 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 564 | S | 36.2 | Very low | 35.8 | Very low | 113.5 Ų | 113.5 | 136.4 Ų | 136.4 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -109 | 123.3 | 159.1 | -6.3 | 0 | 0 | 0 | 0 | 110.1 | K566 | S564-K566 PolarHBondContact O-N 2.82Š| ||
| 565 | S | 33.1 | Very low | 34.6 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -11.9 | 120.6 | 167.6 | -51.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 566 | K | 35.5 | Very low | 34 | Very low | 217.5 Ų | 217.5 | 141 Ų | 141 | 95% | 0.946 | 77% | 0.772 | S | S | * | * | trans | -130.9 | 155.7 | 139.5 | -78 | -165.5 | 177.1 | 178 | 0 | 109.9 | S564 | S564-K566 PolarHBondContact O-N 2.82Š| ||
| 567 | N | 31.8 | Very low | 33.2 | Very low | 152.5 Ų | 152.5 | 144.4 Ų | 144.4 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -115.6 | 137.3 | -152.9 | -162 | 9.5 | 0 | 0 | 0 | 113 | ||||
| 568 | S | 32.8 | Very low | 32.6 | Very low | 113.5 Ų | 113.5 | 148.5 Ų | 148.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 111.6 | 136.9 | 154.1 | 49.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 569 | G | 32.7 | Very low | 32.2 | Very low | 76.5 Ų | 76.5 | 149.4 Ų | 149.4 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | 130.1 | 42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 570 | S | 34.2 | Very low | 32.1 | Very low | 107.5 Ų | 107.5 | 145.8 Ų | 145.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 71 | 107.2 | 98.6 | -132.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 571 | R | 34.7 | Very low | 31.9 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | 130.7 | 121.4 | 124 | -80.8 | 168.1 | -174.5 | -166.2 | 2.6 | 118.6 | |||||
| 572 | R | 33.7 | Very low | 32 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 50.4 | 149.9 | 139.1 | -48.2 | -178.5 | -154.6 | 156.5 | 3.5 | 118.6 | ||||
| 573 | Y | 32.2 | Very low | 31.9 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | cis | -137.7 | 152.9 | 20.4 | -82.7 | -87.3 | 0 | 0 | 0 | 111.3 | ||||
| 574 | C | 28.7 | Very low | 31.7 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | 164.1 | 134.5 | 110.3 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 575 | L | 30.8 | Very low | 31.4 | Very low | 167.5 Ų | 167.5 | 138.4 Ų | 138.4 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | 120.6 | 147.6 | 165.2 | -99.3 | 64.2 | 0 | 0 | 0 | 111.4 | ||||
| 576 | S | 33.8 | Very low | 31.2 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -154.6 | 153.4 | -9.8 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 577 | Q | 30 | Very low | 31.1 | Very low | 166.5 Ų | 166.5 | 136.8 Ų | 136.8 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | 67.1 | 128.4 | 125.9 | -65.4 | -169.8 | 27.8 | 0 | 0 | 115.9 | |||||
| 578 | Q | 31.1 | Very low | 31 | Very low | 175.5 Ų | 175.5 | 134.2 Ų | 134.2 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | -156.5 | 123 | 65.7 | -119.3 | 163.8 | 43.8 | 0 | 0 | 109.6 | |||||
| 579 | S | 28.2 | Very low | 30.9 | Very low | 113.5 Ų | 113.5 | 135.7 Ų | 135.7 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | 136.4 | 125.4 | 124.1 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 580 | S | 31.1 | Very low | 30.8 | Very low | 119.5 Ų | 119.5 | 138.1 Ų | 138.1 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | -123.8 | 136.8 | 111.8 | 52 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 581 | S | 28 | Very low | 30.6 | Very low | 110.5 Ų | 110.5 | 138.4 Ų | 138.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -115.9 | 147.9 | 162.6 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 582 | N | 31.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | -133.5 | 152.9 | 163.6 | -121.7 | 6.8 | 0 | 0 | 0 | 111.3 | ||||
| 583 | S | 27.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -158.6 | 151.7 | -169.9 | 54.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 584 | T | 28.5 | Very low | 30 | Very low | 135.5 Ų | 135.5 | 130.9 Ų | 130.9 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | 126.4 | 146.5 | 81.2 | 35.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 585 | S | 29.5 | Very low | 30 | Very low | 101.5 Ų | 101.5 | 133.1 Ų | 133.1 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | -162.1 | 129.8 | -103.4 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 586 | E | 29 | Very low | 29.8 | Very low | 185.5 Ų | 185.5 | 133.2 Ų | 133.2 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 101.6 | 126.1 | 133.7 | -71.3 | -178.7 | 168.1 | 0 | 0 | 118.4 | ||||
| 587 | S | 32 | Very low | 29.6 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 133.2 | 118.7 | 137.4 | 68.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 588 | S | 30.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 31.5 | 141.7 | 153.5 | 66.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 589 | N | 30.3 | Very low | 29.1 | Very low | 144.5 Ų | 144.5 | 132.9 Ų | 132.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 81.9 | 138 | 149.3 | -61.9 | -11.7 | 0 | 0 | 0 | 120.6 | ||||
| 590 | T | 31.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | 123.5 | 122.8 | 77.5 | 29.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 591 | S | 31.3 | Very low | 29.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | 122.7 | 153.7 | 105.6 | 59.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 592 | T | 30.4 | Very low | 28.9 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | -142.9 | 137.7 | 104.9 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 593 | G | 27.9 | Very low | 28.9 | Very low | 75.5 Ų | 75.5 | 135.8 Ų | 135.8 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | trans | 91.4 | 105.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 594 | E | 28.2 | Very low | 28.9 | Very low | 188.5 Ų | 188.5 | 135.9 Ų | 135.9 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | -133.8 | 139.7 | 69.3 | -73.3 | -164.2 | 128 | 0 | 0 | 111.8 | |||||
| 595 | I | 28.9 | Very low | 28.9 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -42.6 | 112.9 | 169.2 | -60.3 | 174.7 | 0 | 0 | 0 | 115 | A597 | I595-A597 PolarHBondContact O-N 3.02Š| ||
| 596 | H | 27.4 | Very low | 28.9 | Very low | 170.5 Ų | 170.5 | 134.9 Ų | 134.9 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | -14.4 | 134.8 | 155.8 | -90 | 66.5 | 0 | 0 | 0 | 116.4 | Q598 | H596-Q598 VanDerWaalsContact C-N 3.32Å; H596-Q598 PolarHBondContact O-N 3.18Å | ||
| 597 | A | 28.7 | Very low | 29.3 | Very low | 99.5 Ų | 99.5 | 131.1 Ų | 131.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | -110.1 | 118 | 100.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I595 N599 | I595-A597 PolarHBondContact O-N 3.02Å; A597-N599 PolarHBondContact O-N 3.47Å | |||
| 598 | Q | 25 | Very low | 30.3 | Very low | 170.5 Ų | 170.5 | 130.6 Ų | 130.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -87.7 | 118.9 | 169.6 | -67.9 | 178.3 | -21.5 | 0 | 0 | 110.5 | H596 | H596-Q598 VanDerWaalsContact C-N 3.32Å; H596-Q598 PolarHBondContact O-N 3.18Å | ||
| 599 | N | 25.3 | Very low | 32.2 | Very low | 157.5 Ų | 157.5 | 127.7 Ų | 127.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -169.6 | 79.7 | 150.6 | -106.4 | -24.2 | 0 | 0 | 0 | 111.3 | A597 | A597-N599 PolarHBondContact O-N 3.47Š| ||
| 600 | V | 29.5 | Very low | 34.8 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -120.4 | 117.4 | 158.4 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | D602 | V600-D602 PolarHBondContact O-N 2.53Š| ||
| 601 | T | 29.8 | Very low | 37.6 | Very low | 119.667 Ų | 119.667 | 118.5 Ų | 118.5 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -76.8 | 130.4 | -177.3 | 41.2 | 0 | 0 | 0 | 0 | 111.5 | I603 | T601-I603 PolarHBondContact O-N 2.99Š| ||
| 602 | D | 24 | Very low | 40.3 | Very low | 161.333 Ų | 161.333 | 116 Ų | 116 | 86% | 0.863 | 70% | 0.697 | S | S | * | * | trans | -62 | 107.1 | 172.8 | -82.6 | -56.4 | 0 | 0 | 0 | 111.6 | V600 S604 | V600-D602 PolarHBondContact O-N 2.53Å; D602-S604 VanDerWaalsContact C-N 3.33Å; D602-S604 PolarHBondContact O-N 3.05Å | ||
| 603 | I | 30.9 | Very low | 42.8 | Very low | 158 Ų | 158 | 109.6 Ų | 109.6 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | trans | -89.9 | 96.8 | 162.8 | -62.3 | -178.7 | 0 | 0 | 0 | 107.5 | T601 S605 | T601-I603 PolarHBondContact O-N 2.99Å; I603-S605 PolarHBondContact O-N 3.29Å; I603-S605 VanDerWaalsContact O-N 3.15Å | ||
| 604 | S | 28.2 | Very low | 45.7 | Very low | 98.3333 Ų | 98.3333 | 106.8 Ų | 106.8 | 69% | 0.688 | 63% | 0.627 | S | S | * | * | trans | -64.6 | 125.2 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | D602 S606 | D602-S604 VanDerWaalsContact C-N 3.33Å; D602-S604 PolarHBondContact O-N 3.05Å; S604-S606 VanDerWaalsContact C-N 3.32Å; S604-S606 PolarHBondContact O-N 2.97Å | ||
| 605 | S | 28.8 | Very low | 48.6 | Very low | 118 Ų | 118 | 99.6 Ų | 99.6 | 83% | 0.825 | 59% | 0.593 | S | S | * | * | trans | -50 | 85 | -179.3 | 60 | 0 | 0 | 0 | 0 | 115.2 | I603 S607 | I603-S605 PolarHBondContact O-N 3.29Å; I603-S605 VanDerWaalsContact O-N 3.15Å; S605-S607 PolarHBondContact O-N 3.17Å | ||
| 606 | S | 30.4 | Very low | 51.4 | Low | 98.3333 Ų | 98.3333 | 92.1 Ų | 92.1 | 69% | 0.688 | 56% | 0.555 | S | S | * | * | trans | -93.1 | 148 | 158.9 | 58.1 | 0 | 0 | 0 | 0 | 111 | S604 T608 | S604-S606 VanDerWaalsContact C-N 3.32Å; S604-S606 PolarHBondContact O-N 2.97Å; S606-T608 VanDerWaalsContact C-N 3.27Å; S606-T608 PolarHBondContact O-N 3.3Å | ||
| 607 | S | 37.4 | Very low | 54.2 | Low | 105.667 Ų | 105.667 | 84.2 Ų | 84.2 | 74% | 0.739 | 52% | 0.518 | S | S | * | . | trans | -75.9 | 98.7 | -170.8 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | R560 S605 G609 | R560-S607 PolarHBondContact NH1-OG 3.28Å; S605-S607 PolarHBondContact O-N 3.17Å; S607-G609 PolarHBondContact O-N 3.01Å | ||
| 608 | T | 52.2 | Low | 56.9 | Low | 103.333 Ų | 103.333 | 81.9 Ų | 81.9 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | trans | -89.2 | 105.7 | 174.7 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | S606 | S606-T608 VanDerWaalsContact C-N 3.27Å; S606-T608 PolarHBondContact O-N 3.3Å | ||
| 609 | G | 71 | Confident | 59.5 | Low | 38 Ų | 38 | 78.4 Ų | 78.4 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | trans | -84 | 164.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | S607 V611 | S607-G609 PolarHBondContact O-N 3.01Å; G609-V611 WeakPolarHBondContact O-CG1 3.22Å; G609-V611 PolarHBondContact O-N 3.18Å; G609-V611 VanDerWaalsContact O-N 3.15Å | ||
| 610 | I | 84.6 | Confident | 62.1 | Low | 11.6667 Ų | 11.6667 | 74.5 Ų | 74.5 | 6% | 0.06 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -51.4 | 123.2 | 177.6 | -50.5 | -173.8 | 0 | 0 | 0 | 110.8 | V616 V872 V875 K945 L948 I950 | I610-V616 HydrophobicContact CD1-CG1 4.26Å; I610-V616 HydrophobicContact CG2-CG1 3.99Å; I610-V872 HydrophobicContact CG2-CG1 4.39Å; I610-V872 HydrophobicContact CG2-CG2 3.59Å; I610-V875 HydrophobicContact CG2-CG2 4.41Å; I610-K945 HydrophobicContact CB-CD 4.4Å; I610-K945 HydrophobicContact CB-CG 4.23Å; I610-K945 HydrophobicContact CD1-CG 4.13Å; I610-K945 HydrophobicContact CG1-CG 4.29Å; I610-K945 VanDerWaalsContact O-CE 3.31Å; I610-K945 WeakPolarHBondContact O-CE 3.48Å; I610-K945 PolarHBondContact O-NZ 3.09Å; I610-L948 HydrophobicContact CD1-CB 3.47Å; I610-L948 VanDerWaalsContact CD1-CB 3.45Å; I610-L948 HydrophobicContact CD1-CD1 4.25Å; I610-L948 HydrophobicContact CD1-CG 4.48Å; I610-I950 HydrophobicContact CG1-CD1 4.1Å; I610-I950 HydrophobicContact CG1-CG1 3.88Å |
| 611 | V | 89 | Confident | 64.4 | Low | 64.6667 Ų | 64.6667 | 68.3 Ų | 68.3 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | trans | -132.6 | 162.2 | -179 | -74.5 | 0 | 0 | 0 | 0 | 110.4 | G609 S614 V872 | G609-V611 WeakPolarHBondContact O-CG1 3.22Å; G609-V611 PolarHBondContact O-N 3.18Å; G609-V611 VanDerWaalsContact O-N 3.15Å; V611-S614 WeakPolarHBondContact CG2-OG 3.39Å; V611-S614 PolarHBondContact N-OG 3.4Å; V611-S614 WeakPolarHBondContact O-CB 3.25Å; V611-S614 PolarHBondContact O-N 2.88Å; V611-S614 VanDerWaalsContact O-N 3.09Å; V611-S614 PolarHBondContact O-OG 3.05Å; V611-V872 WeakPolarHBondContact O-CB 3.37Å; V611-V872 WeakPolarHBondContact O-CG1 3.33Å | ||
| 612 | P | 87.8 | Confident | 67 | Low | 61 Ų | 61 | 63.2 Ų | 63.2 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 143.3 | 168 | -26.2 | 36.2 | 0 | 0 | 0 | 112 | S614 V872 I909 | P612-S614 VanDerWaalsContact C-N 3.25Å; P612-S614 PolarHBondContact O-N 3.24Å; P612-V872 CarbonylContact C-O 3.54Å; P612-V872 WeakPolarHBondContact CA-O 3.43Å; P612-I909 HydrophobicContact CB-CG2 4.05Å |
| 613 | G | 84.2 | Confident | 69.7 | Low | 6 Ų | 6 | 56.8 Ų | 56.8 | 6% | 0.062 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -11.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | F615 I871 V872 I909 | G613-F615 PolarHBondContact O-N 3.02Å; G613-I871 VanDerWaalsContact O-CD1 3.28Å; G613-I871 WeakPolarHBondContact O-CD1 3.38Å; G613-V872 PolarHBondContact N-O 3.09Å; G613-I909 VanDerWaalsContact N-CG2 3.31Å |
| 614 | S | 88.8 | Confident | 72.4 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 12% | 0.119 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 129.8 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | V611 P612 V872 | V611-S614 WeakPolarHBondContact CG2-OG 3.39Å; V611-S614 PolarHBondContact N-OG 3.4Å; V611-S614 WeakPolarHBondContact O-CB 3.25Å; V611-S614 PolarHBondContact O-N 2.88Å; V611-S614 VanDerWaalsContact O-N 3.09Å; V611-S614 PolarHBondContact O-OG 3.05Å; P612-S614 VanDerWaalsContact C-N 3.25Å; P612-S614 PolarHBondContact O-N 3.24Å; S614-V872 WeakPolarHBondContact O-CG2 3.18Å; S614-V872 PolarHBondContact O-N 2.92Å | ||
| 615 | F | 87.9 | Confident | 75.1 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 17% | 0.167 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.7 | 160.8 | -64.1 | -72.2 | 0 | 0 | 0 | 109.8 | G613 V869 G870 I871 L885 V893 I906 I950 V951 A954 | G613-F615 PolarHBondContact O-N 3.02Å; F615-V869 HydrophobicContact CB-CG1 4.13Å; F615-V869 HydrophobicContact CD1-CG1 4.14Å; F615-G870 CarbonylContact C-O 3.59Å; F615-G870 WeakPolarHBondContact CA-O 3.36Å; F615-I871 HydrophobicContact CD1-CB 4.38Å; F615-I871 HydrophobicContact CD1-CD1 3.92Å; F615-I871 HydrophobicContact CE1-CB 4.45Å; F615-I871 HydrophobicContact CE1-CD1 4.2Å; F615-I871 HydrophobicContact CG-CD1 4.41Å; F615-I871 HydrophobicContact CZ-CD1 4.03Å; F615-L885 HydrophobicContact CE1-CD1 4.21Å; F615-V893 HydrophobicContact CE1-CG1 3.88Å; F615-V893 HydrophobicContact CZ-CG1 3.57Å; F615-I906 HydrophobicContact CE1-CD1 3.9Å; F615-I906 HydrophobicContact CZ-CD1 3.89Å; F615-I906 HydrophobicContact CZ-CG2 4.46Å; F615-I950 WeakPolarHBondContact O-CA 3.39Å; F615-V951 PolarHBondContact O-N 2.94Å; F615-A954 HydrophobicContact CD1-CB 4.17Å; F615-A954 HydrophobicContact CE1-CB 4.05Å; F615-A954 HydrophobicContact CZ-CB 4.46Å |
| 616 | V | 87.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 154.3 | -177.2 | -66.7 | 0 | 0 | 0 | 0 | 111 | I610 G870 V872 V882 L948 T949 I950 | I610-V616 HydrophobicContact CD1-CG1 4.26Å; I610-V616 HydrophobicContact CG2-CG1 3.99Å; V616-G870 PolarHBondContact N-O 2.81Å; V616-G870 PolarHBondContact O-N 2.83Å; V616-V872 HydrophobicContact CB-CG2 4.39Å; V616-V872 HydrophobicContact CG1-CG2 3.72Å; V616-V872 HydrophobicContact CG2-CG2 3.71Å; V616-V882 HydrophobicContact CG2-CG1 3.73Å; V616-V882 HydrophobicContact CG2-CG2 4.01Å; V616-L948 HydrophobicContact CB-CB 4.49Å; V616-L948 HydrophobicContact CB-CD2 4.21Å; V616-L948 HydrophobicContact CG2-CD1 4.38Å; V616-L948 HydrophobicContact CG2-CD2 3.99Å; V616-T949 CarbonylContact C-O 3.57Å; V616-T949 VanDerWaalsContact CA-O 3.28Å; V616-T949 WeakPolarHBondContact CA-O 3.35Å; V616-I950 HydrophobicContact CG1-CG1 4.38Å |
| 617 | C | 86.1 | Confident | 80.6 | Confident | 3.33333 Ų | 3.33333 | 38.5 Ų | 38.5 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 163.4 | 163.7 | 70.2 | 0 | 0 | 0 | 0 | 110.1 | R619 Q867 L948 T949 V951 | C617-R619 PolarHBondContact O-N 3.33Å; C617-Q867 HydrophobicContact CB-CG 4.18Å; C617-Q867 VanDerWaalsContact SG-CD 3.55Å; C617-Q867 PolarHBondContact SG-NE2 3Å; C617-Q867 VanDerWaalsContact SG-NE2 3.38Å; C617-Q867 PolarHBondContact SG-OE1 2.9Å; C617-Q867 VanDerWaalsContact SG-OE1 3.41Å; C617-L948 WeakPolarHBondContact O-CA 3.29Å; C617-T949 PolarHBondContact N-O 2.88Å; C617-T949 PolarHBondContact O-N 2.84Å; C617-T949 PolarHBondContact O-OG1 2.89Å; C617-T949 PolarHBondContact SG-OG1 3.04Å; C617-T949 VanDerWaalsContact SG-OG1 3.38Å; C617-V951 HydrophobicContact CB-CG2 3.86Å; C617-V951 VanDerWaalsContact SG-CG2 3.52Å |
| 618 | I | 85.2 | Confident | 83 | Confident | 51.6667 Ų | 51.6667 | 33.5 Ų | 33.5 | 27% | 0.265 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.2 | 177.9 | -57.2 | 174.6 | 0 | 0 | 0 | 109.2 | S620 Q867 F884 L943 D947 | I618-S620 VanDerWaalsContact C-N 3.3Å; I618-S620 PolarHBondContact O-N 2.89Å; I618-Q867 PolarHBondContact O-NE2 3.24Å; I618-F884 HydrophobicContact CD1-CZ 4.06Å; I618-F884 HydrophobicContact CG1-CE1 4.29Å; I618-F884 HydrophobicContact CG1-CZ 3.88Å; I618-L943 HydrophobicContact CD1-CD1 4.49Å; I618-L943 HydrophobicContact CG1-CD1 4.21Å; I618-D947 CarbonylContact C-O 3.54Å; I618-D947 WeakPolarHBondContact CA-O 3.48Å |
| 619 | R | 80.4 | Confident | 84.7 | Confident | 97 Ų | 97 | 29.2 Ų | 29.2 | 37% | 0.366 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -64.8 | -39.5 | -177.2 | -177.5 | 174.6 | -118.6 | 141.4 | -0.8 | 112.3 | C617 A621 E946 D947 L948 T949 | C617-R619 PolarHBondContact O-N 3.33Å; R619-A621 PolarHBondContact O-N 3.09Å; R619-E946 WeakPolarHBondContact CD-O 3.4Å; R619-E946 PolarHBondContact NH1-O 3.08Å; R619-D947 WeakPolarHBondContact CB-O 3.37Å; R619-D947 PolarHBondContact N-O 3.17Å; R619-L948 PolarHBondContact NH1-O 2.83Å; R619-T949 HydrophobicContact CB-CG2 4.08Å; R619-T949 HydrophobicContact CG-CG2 3.97Å |
| 620 | S | 79.6 | Confident | 85.6 | Confident | 76.3333 Ų | 76.3333 | 27.4 Ų | 27.4 | 53% | 0.534 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -85.9 | 89 | 174 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | I618 | I618-S620 VanDerWaalsContact C-N 3.3Å; I618-S620 PolarHBondContact O-N 2.89Å |
| 621 | A | 79 | Confident | 85.9 | Confident | 6.33333 Ų | 6.33333 | 27.2 Ų | 27.2 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | -117.7 | 149.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R550 R619 W648 Q867 | R550-A621 PolarHBondContact NH1-O 3.09Å; R550-A621 PolarHBondContact NH2-O 3.19Å; R619-A621 PolarHBondContact O-N 3.09Å; A621-W648 VanDerWaalsContact C-CZ3 3.42Å; A621-Q867 HydrophobicContact CB-CG 4.15Å; A621-Q867 VanDerWaalsContact CB-NE2 3.32Å | ||
| 622 | P | 83.4 | Confident | 86 | Confident | 12.6667 Ų | 12.6667 | 24.4 Ų | 24.4 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | trans | -62 | 169.9 | 166.5 | 28 | -32.7 | 0 | 0 | 0 | 110.8 | H625 D646 A647 W648 | P622-H625 WeakPolarHBondContact CG-CE1 3.11Å; P622-H625 WeakPolarHBondContact CG-ND1 3.34Å; P622-H625 PolarHBondContact O-CE1 3.5Å; P622-D646 HydrophobicContact CB-CB 4Å; P622-D646 HydrophobicContact CG-CB 3.93Å; P622-A647 CarbonylContact C-O 3.58Å; P622-A647 WeakPolarHBondContact CA-O 3.43Å; P622-A647 WeakPolarHBondContact CB-O 3.29Å; P622-W648 HydrophobicContact CB-CD2 4.14Å; P622-W648 HydrophobicContact CB-CE3 4.42Å; P622-W648 HydrophobicContact CB-CG 4.45Å; P622-W648 HydrophobicContact CB-CH2 4.45Å; P622-W648 HydrophobicContact CB-CZ2 4.24Å; P622-W648 HydrophobicContact CG-CH2 4.42Å; P622-W648 HydrophobicContact CG-CZ2 4.31Å | ||
| 623 | I | 82 | Confident | 85.9 | Confident | 26.6667 Ų | 26.6667 | 22.3 Ų | 22.3 | 14% | 0.137 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -80.5 | -42.5 | 176 | -56.4 | 170.9 | 0 | 0 | 0 | 110 | I546 A647 W648 T650 | I546-I623 HydrophobicContact CD1-CG2 4.01Å; I546-I623 HydrophobicContact CG1-CG2 4.18Å; I546-I623 HydrophobicContact CG2-CD1 4Å; I546-I623 HydrophobicContact CG2-CG1 4.18Å; I546-I623 HydrophobicContact CG2-CG2 3.66Å; I623-A647 PolarHBondContact N-O 3.05Å; I623-W648 VanDerWaalsContact CD1-O 3.27Å; I623-W648 WeakPolarHBondContact CD1-O 3.28Å; I623-T650 HydrophobicContact CD1-CG2 4.29Å |
| 624 | F | 85.7 | Confident | 85.8 | Confident | 12.6667 Ų | 12.6667 | 24.5 Ų | 24.5 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -132.9 | 139.1 | 175.6 | -55.4 | -75.3 | 0 | 0 | 0 | 109.1 | I546 A628 L643 A647 F860 D863 V959 | I546-F624 HydrophobicContact CD1-CE2 4.29Å; I546-F624 HydrophobicContact CD1-CZ 4.14Å; F624-A628 HydrophobicContact CB-CB 4.08Å; F624-L643 HydrophobicContact CB-CD2 4.06Å; F624-A647 HydrophobicContact CB-CB 4.26Å; F624-A647 PolarHBondContact O-N 3.03Å; F624-F860 HydrophobicContact CB-CD1 4.38Å; F624-F860 HydrophobicContact CB-CE1 4.09Å; F624-F860 HydrophobicContact CB-CE2 4.48Å; F624-F860 HydrophobicContact CB-CZ 4.13Å; F624-F860 HydrophobicContact CD1-CB 4.03Å; F624-F860 AromaticContact CD1-CD1 3.99Å; F624-F860 HydrophobicContact CD1-CD1 4.07Å; F624-F860 AromaticContact CD1-CD2 3.95Å; F624-F860 HydrophobicContact CD1-CD2 3.97Å; F624-F860 HydrophobicContact CD1-CE1 4.47Å; F624-F860 HydrophobicContact CD1-CE2 4.45Å; F624-F860 AromaticContact CD1-CG 3.74Å; F624-F860 HydrophobicContact CD1-CG 3.74Å; F624-F860 HydrophobicContact CD2-CD1 4.46Å; F624-F860 AromaticContact CD2-CD2 3.52Å; F624-F860 HydrophobicContact CD2-CD2 3.52Å; F624-F860 VanDerWaalsContact CD2-CD2 3.5Å; F624-F860 HydrophobicContact CD2-CE1 4.39Å; F624-F860 AromaticContact CD2-CE2 3.34Å; F624-F860 HydrophobicContact CD2-CE2 3.34Å; F624-F860 HydrophobicContact CD2-CG 4.11Å; F624-F860 AromaticContact CD2-CZ 3.81Å; F624-F860 HydrophobicContact CD2-CZ 3.81Å; F624-F860 HydrophobicContact CE1-CB 3.68Å; F624-F860 HydrophobicContact CE1-CD1 4.44Å; F624-F860 AromaticContact CE1-CD2 3.81Å; F624-F860 HydrophobicContact CE1-CD2 3.81Å; F624-F860 AromaticContact CE1-CG 3.75Å; F624-F860 HydrophobicContact CE1-CG 3.75Å; F624-F860 AromaticContact CE2-CD2 3.34Å; F624-F860 HydrophobicContact CE2-CD2 3.34Å; F624-F860 AromaticContact CE2-CE2 3.53Å; F624-F860 HydrophobicContact CE2-CE2 3.53Å; F624-F860 VanDerWaalsContact CE2-CE2 3.49Å; F624-F860 HydrophobicContact CE2-CG 4.12Å; F624-F860 HydrophobicContact CE2-CZ 4.42Å; F624-F860 AromaticContact CG-CD1 3.99Å; F624-F860 HydrophobicContact CG-CD1 4.08Å; F624-F860 AromaticContact CG-CD2 3.84Å; F624-F860 HydrophobicContact CG-CD2 3.84Å; F624-F860 HydrophobicContact CG-CE1 4.1Å; F624-F860 AromaticContact CG-CE2 3.86Å; F624-F860 HydrophobicContact CG-CE2 3.86Å; F624-F860 AromaticContact CG-CG 3.93Å; F624-F860 HydrophobicContact CG-CG 3.93Å; F624-F860 AromaticContact CG-CZ 3.97Å; F624-F860 HydrophobicContact CG-CZ 3.97Å; F624-F860 HydrophobicContact CZ-CB 4.07Å; F624-F860 AromaticContact CZ-CD2 3.49Å; F624-F860 HydrophobicContact CZ-CD2 3.49Å; F624-F860 VanDerWaalsContact CZ-CD2 3.47Å; F624-F860 HydrophobicContact CZ-CE2 4.17Å; F624-F860 AromaticContact CZ-CG 3.94Å; F624-F860 HydrophobicContact CZ-CG 3.94Å; F624-D863 WeakPolarHBondContact CA-OD1 3.28Å; F624-V959 HydrophobicContact CE1-CG1 4.35Å |
| 625 | H | 85.7 | Confident | 85 | Confident | 23.3333 Ų | 23.3333 | 23.8 Ų | 23.8 | 11% | 0.108 | 14% | 0.136 | C | C | . | . | trans | -89.8 | 152.8 | -176 | -78.7 | -34.6 | 0 | 0 | 0 | 112.8 | P622 G627 A628 D646 D863 G864 R865 Q867 R958 | P622-H625 WeakPolarHBondContact CG-CE1 3.11Å; P622-H625 WeakPolarHBondContact CG-ND1 3.34Å; P622-H625 PolarHBondContact O-CE1 3.5Å; H625-G627 PolarHBondContact O-N 2.98Å; H625-A628 WeakPolarHBondContact O-CB 3.45Å; H625-A628 PolarHBondContact O-N 2.98Å; H625-D646 VanDerWaalsContact CA-OD1 3.31Å; H625-D646 WeakPolarHBondContact CA-OD1 3.2Å; H625-D646 IonicContact CG-OD1 2.77Å; H625-D646 IonicContact ND1-OD1 3.62Å; H625-D646 PolarHBondContact ND1-OD1 3.32Å; H625-D646 IonicContact ND1-OD2 2.66Å; H625-D863 IonicContact CG-OD1 2.62Å; H625-D863 PolarHBondContact N-OD1 3.04Å; H625-D863 IonicContact ND1-OD1 3.79Å; H625-D863 PolarHBondContact ND1-OD1 3.39Å; H625-D863 IonicContact ND1-OD2 3.91Å; H625-G864 WeakPolarHBondContact CB-O 3.44Å; H625-R865 HydrophobicContact CB-CB 4.32Å; H625-R865 PolarHBondContact CD2-O 2.83Å; H625-Q867 WeakPolarHBondContact NE2-CA 3.23Å; H625-Q867 WeakPolarHBondContact NE2-CB 3.41Å; H625-R958 PolarHBondContact CD2-NH2 3.2Å; H625-R958 PolarHBondContact CE1-NH1 2.86Å; H625-R958 PolarHBondContact CE1-NH2 3.49Å; H625-R958 PolarHBondContact ND1-NH2 3.17Å; H625-R958 PolarHBondContact NE2-NH1 2.94Å; H625-R958 VanDerWaalsContact NE2-NH1 3.17Å; H625-R958 PolarHBondContact NE2-NH2 3.16Å; H625-R958 VanDerWaalsContact NE2-NH2 3.18Å | ||
| 626 | A | 88 | Confident | 84.3 | Confident | 29.3333 Ų | 29.3333 | 23.3 Ų | 23.3 | 24% | 0.242 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 124.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D646 R865 | A626-D646 PolarHBondContact N-OD1 3.16Å; A626-R865 PolarHBondContact O-NH1 2.98Å |
| 627 | G | 86.8 | Confident | 83.9 | Confident | 24.3333 Ų | 24.3333 | 25.1 Ų | 25.1 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | -11.2 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H625 I629 T642 L643 G864 | H625-G627 PolarHBondContact O-N 2.98Å; G627-I629 PolarHBondContact O-N 2.79Å; G627-T642 WeakPolarHBondContact O-CG2 3.22Å; G627-L643 PolarHBondContact N-O 3.23Å; G627-G864 VanDerWaalsContact C-CA 3.5Å; G627-G864 WeakPolarHBondContact O-CA 3.45Å |
| 628 | A | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -65.4 | 128.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F624 H625 L643 F860 E862 G864 | F624-A628 HydrophobicContact CB-CB 4.08Å; H625-A628 WeakPolarHBondContact O-CB 3.45Å; H625-A628 PolarHBondContact O-N 2.98Å; A628-L643 HydrophobicContact CB-CB 4.14Å; A628-L643 HydrophobicContact CB-CD2 4.05Å; A628-L643 VanDerWaalsContact O-CB 3.24Å; A628-L643 WeakPolarHBondContact O-CB 3.43Å; A628-L643 PolarHBondContact O-N 2.81Å; A628-F860 HydrophobicContact CB-CD1 3.8Å; A628-F860 HydrophobicContact CB-CE1 3.72Å; A628-E862 CarbonylContact C-O 3.51Å; A628-E862 VanDerWaalsContact CA-O 3.26Å; A628-E862 WeakPolarHBondContact CA-O 3.32Å; A628-E862 VanDerWaalsContact CB-O 3.28Å; A628-E862 WeakPolarHBondContact CB-O 3.34Å; A628-G864 VanDerWaalsContact CA-N 3.32Å | ||
| 629 | I | 87.8 | Confident | 84.1 | Confident | 13.3333 Ų | 13.3333 | 24.8 Ų | 24.8 | 7% | 0.068 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.2 | -180 | -56.4 | -176.3 | 0 | 0 | 0 | 108.7 | L482 P483 G627 V640 V861 E862 | L482-I629 HydrophobicContact CD2-CG2 3.83Å; P483-I629 HydrophobicContact CG-CD1 3.35Å; P483-I629 VanDerWaalsContact CG-CD1 3.43Å; G627-I629 PolarHBondContact O-N 2.79Å; I629-V640 HydrophobicContact CG2-CG1 3.78Å; I629-V861 PolarHBondContact O-N 3.04Å; I629-E862 HydrophobicContact CB-CB 4.16Å; I629-E862 WeakPolarHBondContact CD1-OE2 3.21Å; I629-E862 HydrophobicContact CG1-CB 4.48Å; I629-E862 PolarHBondContact N-O 3.11Å; I629-E862 PolarHBondContact O-N 3.04Å; I629-E862 VanDerWaalsContact O-N 3.14Å |
| 630 | G | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G641 V859 | G630-G641 PolarHBondContact N-O 3.14Å; G630-G641 PolarHBondContact O-N 3.04Å; G630-G641 VanDerWaalsContact O-O 3.09Å; G630-V859 CarbonylContact C-O 3.49Å; G630-V859 WeakPolarHBondContact CA-O 3.29Å |
| 631 | F | 91.1 | Very high | 85.1 | Confident | 7.33333 Ų | 7.33333 | 16.7 Ų | 16.7 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154.9 | 177.6 | 73.7 | -95.9 | 0 | 0 | 0 | 112.2 | L478 I497 L520 I536 V633 K639 V640 V858 V859 V861 | L478-F631 HydrophobicContact CD1-CD2 4.13Å; L478-F631 HydrophobicContact CD1-CE2 4.07Å; L478-F631 HydrophobicContact CD2-CB 3.8Å; L478-F631 HydrophobicContact CD2-CD2 3.74Å; L478-F631 HydrophobicContact CD2-CE2 4.49Å; L478-F631 HydrophobicContact CD2-CG 3.92Å; I497-F631 HydrophobicContact CD1-CE1 4.21Å; I497-F631 HydrophobicContact CD1-CZ 4.31Å; L520-F631 HydrophobicContact CD2-CE2 4.22Å; I536-F631 HydrophobicContact CD1-CZ 3.72Å; F631-V633 HydrophobicContact CD2-CG1 4.26Å; F631-V633 HydrophobicContact CE2-CG1 4.26Å; F631-K639 CarbonylContact C-O 3.57Å; F631-K639 WeakPolarHBondContact CA-O 3.42Å; F631-K639 WeakPolarHBondContact CB-O 3.35Å; F631-V640 HydrophobicContact CB-CG2 3.89Å; F631-V858 CarbonylContact O-C 3.51Å; F631-V858 WeakPolarHBondContact O-CA 3.37Å; F631-V859 HydrophobicContact CD1-CB 3.96Å; F631-V859 HydrophobicContact CD1-CG1 4.26Å; F631-V859 HydrophobicContact CD2-CB 4.36Å; F631-V859 HydrophobicContact CE1-CB 3.65Å; F631-V859 HydrophobicContact CE1-CG1 3.58Å; F631-V859 HydrophobicContact CE1-CG2 4.49Å; F631-V859 HydrophobicContact CE2-CB 4.08Å; F631-V859 HydrophobicContact CE2-CG2 4.16Å; F631-V859 HydrophobicContact CG-CB 4.32Å; F631-V859 HydrophobicContact CZ-CB 3.73Å; F631-V859 HydrophobicContact CZ-CG1 3.82Å; F631-V859 HydrophobicContact CZ-CG2 4.08Å; F631-V859 PolarHBondContact N-O 3.14Å; F631-V859 PolarHBondContact O-N 2.88Å; F631-V861 HydrophobicContact CD1-CG2 3.81Å; F631-V861 HydrophobicContact CE1-CG2 4.17Å |
| 632 | T | 90.9 | Very high | 85.7 | Confident | 5.66667 Ų | 5.66667 | 18.1 Ų | 18.1 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154.3 | 171.4 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | V634 P638 K639 W853 D857 | T632-V634 VanDerWaalsContact OG1-CG2 3.3Å; T632-V634 WeakPolarHBondContact OG1-CG2 3.47Å; T632-V634 PolarHBondContact OG1-N 3.13Å; T632-P638 WeakPolarHBondContact O-CA 3.32Å; T632-K639 HydrophobicContact CG2-CB 4.23Å; T632-K639 PolarHBondContact N-O 3.16Å; T632-K639 PolarHBondContact O-N 2.93Å; T632-W853 HydrophobicContact CG2-CD2 3.86Å; T632-W853 HydrophobicContact CG2-CE3 4.04Å; T632-W853 HydrophobicContact CG2-CG 4.46Å; T632-W853 HydrophobicContact CG2-CH2 4.05Å; T632-W853 HydrophobicContact CG2-CZ2 3.88Å; T632-W853 HydrophobicContact CG2-CZ3 4.14Å; T632-D857 WeakPolarHBondContact CB-O 3.38Å; T632-D857 PolarHBondContact OG1-O 2.93Å |
| 633 | V | 87.3 | Confident | 86.2 | Confident | 17.6667 Ų | 17.6667 | 17.5 Ų | 17.5 | 11% | 0.107 | 11% | 0.113 | C | C | . | . | trans | -120.3 | 11.1 | 177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | T459 P519 L520 F631 G635 G636 | T459-V633 HydrophobicContact CG2-CG1 3.85Å; P519-V633 HydrophobicContact CB-CB 4.23Å; P519-V633 HydrophobicContact CB-CG1 4.33Å; P519-V633 HydrophobicContact CB-CG2 3.9Å; L520-V633 HydrophobicContact CD2-CG2 4.35Å; L520-V633 HydrophobicContact CG-CG2 4.48Å; F631-V633 HydrophobicContact CD2-CG1 4.26Å; F631-V633 HydrophobicContact CE2-CG1 4.26Å; V633-G635 PolarHBondContact O-N 2.97Å; V633-G636 PolarHBondContact O-N 2.94Å; V633-G636 VanDerWaalsContact O-N 3.09Å | ||
| 634 | V | 81.9 | Confident | 86.6 | Confident | 52 Ų | 52 | 18.5 Ų | 18.5 | 32% | 0.315 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 121.6 | -175.9 | 171 | 0 | 0 | 0 | 0 | 110.7 | T632 D857 R1112 | T632-V634 VanDerWaalsContact OG1-CG2 3.3Å; T632-V634 WeakPolarHBondContact OG1-CG2 3.47Å; T632-V634 PolarHBondContact OG1-N 3.13Å; V634-D857 HydrophobicContact CG2-CB 3.49Å; V634-D857 VanDerWaalsContact CG2-CB 3.47Å; V634-R1112 PolarHBondContact O-NE 3.08Å; V634-R1112 VanDerWaalsContact O-NE 3.16Å; V634-R1112 PolarHBondContact O-NH2 3.1Å |
| 635 | G | 72.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 23.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V633 V637 | V633-G635 PolarHBondContact O-N 2.97Å; G635-V637 VanDerWaalsContact C-N 3.26Å; G635-V637 PolarHBondContact O-N 3.01Å; G635-V637 VanDerWaalsContact O-N 3.16Å |
| 636 | G | 73 | Confident | 87.1 | Confident | 28 Ų | 28 | 24.3 Ų | 24.3 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 78.2 | -3.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V633 | V633-G636 PolarHBondContact O-N 2.94Å; V633-G636 VanDerWaalsContact O-N 3.09Å |
| 637 | V | 78.5 | Confident | 87.1 | Confident | 37.3333 Ų | 37.3333 | 22.9 Ų | 22.9 | 23% | 0.226 | 14% | 0.137 | C | C | . | . | trans | -106.9 | 118.5 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | G635 K639 R1112 | G635-V637 VanDerWaalsContact C-N 3.26Å; G635-V637 PolarHBondContact O-N 3.01Å; G635-V637 VanDerWaalsContact O-N 3.16Å; V637-K639 HydrophobicContact CG1-CG 4.2Å; V637-R1112 HydrophobicContact CG2-CB 4.14Å; V637-R1112 HydrophobicContact CG2-CG 4.01Å | ||
| 638 | P | 86.9 | Confident | 87.2 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 10% | 0.104 | 15% | 0.148 | C | C | . | . | trans | -63.7 | 134.3 | 168.2 | 25.3 | -30.5 | 0 | 0 | 0 | 110.4 | H381 T459 S477 L478 T632 | H381-P638 HydrophobicContact CB-CG 3.94Å; H381-P638 VanDerWaalsContact ND1-CD 3.27Å; H381-P638 WeakPolarHBondContact ND1-CD 3.31Å; T459-P638 HydrophobicContact CG2-CB 3.79Å; T459-P638 HydrophobicContact CG2-CG 4.03Å; S477-P638 WeakPolarHBondContact OG-CG 3.37Å; L478-P638 HydrophobicContact CD1-CB 4.28Å; L478-P638 HydrophobicContact CD2-CB 3.57Å; L478-P638 HydrophobicContact CG-CB 3.74Å; T632-P638 WeakPolarHBondContact O-CA 3.32Å | ||
| 639 | K | 88.7 | Confident | 87.2 | Confident | 32.6667 Ų | 32.6667 | 33.9 Ų | 33.9 | 14% | 0.142 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.3 | 171.2 | -61.1 | -172.8 | -177.2 | -174.1 | 0 | 109.8 | F631 T632 V637 V658 E851 W853 | F631-K639 CarbonylContact C-O 3.57Å; F631-K639 WeakPolarHBondContact CA-O 3.42Å; F631-K639 WeakPolarHBondContact CB-O 3.35Å; T632-K639 HydrophobicContact CG2-CB 4.23Å; T632-K639 PolarHBondContact N-O 3.16Å; T632-K639 PolarHBondContact O-N 2.93Å; V637-K639 HydrophobicContact CG1-CG 4.2Å; K639-V658 HydrophobicContact CB-CG1 4.31Å; K639-V658 HydrophobicContact CD-CG1 4.27Å; K639-E851 IonicContact NZ-OE1 3.29Å; K639-E851 PolarHBondContact NZ-OE1 2.95Å; K639-E851 IonicContact NZ-OE2 2.88Å; K639-E851 PolarHBondContact NZ-OE2 2.74Å; K639-W853 HydrophobicContact CB-CH2 3.82Å; K639-W853 HydrophobicContact CB-CZ2 3.65Å; K639-W853 HydrophobicContact CD-CZ2 3.96Å; K639-W853 HydrophobicContact CG-CZ2 4.48Å |
| 640 | V | 90.5 | Very high | 87.1 | Confident | 2.33333 Ų | 2.33333 | 34.1 Ų | 34.1 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141 | 167.6 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | L478 S481 L482 I629 F631 N659 | L478-V640 HydrophobicContact CD2-CG2 3.89Å; S481-V640 WeakPolarHBondContact OG-CB 3.3Å; S481-V640 WeakPolarHBondContact OG-CG2 3.4Å; L482-V640 HydrophobicContact CD2-CG1 4.07Å; I629-V640 HydrophobicContact CG2-CG1 3.78Å; F631-V640 HydrophobicContact CB-CG2 3.89Å; V640-N659 PolarHBondContact O-N 3Å |
| 641 | G | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 157.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G630 R657 | G630-G641 PolarHBondContact N-O 3.14Å; G630-G641 PolarHBondContact O-N 3.04Å; G630-G641 VanDerWaalsContact O-O 3.09Å; G641-R657 CarbonylContact C-O 3.57Å; G641-R657 WeakPolarHBondContact CA-O 3.45Å |
| 642 | T | 91.6 | Very high | 87.1 | Confident | 36.6667 Ų | 36.6667 | 39.9 Ų | 39.9 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.1 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | G627 L644 F656 R657 | G627-T642 WeakPolarHBondContact O-CG2 3.22Å; T642-L644 PolarHBondContact O-N 3.17Å; T642-F656 CarbonylContact O-C 3.56Å; T642-F656 WeakPolarHBondContact O-CA 3.42Å; T642-R657 PolarHBondContact N-O 2.94Å; T642-R657 PolarHBondContact O-N 2.84Å |
| 643 | L | 93.4 | Very high | 87.3 | Confident | 0.666667 Ų | 0.666667 | 45.1 Ų | 45.1 | 0% | 0.003 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 127.9 | 175.6 | 176.5 | 64.8 | 0 | 0 | 0 | 110.7 | F624 G627 A628 E645 A647 C654 F656 F860 | F624-L643 HydrophobicContact CB-CD2 4.06Å; G627-L643 PolarHBondContact N-O 3.23Å; A628-L643 HydrophobicContact CB-CB 4.14Å; A628-L643 HydrophobicContact CB-CD2 4.05Å; A628-L643 VanDerWaalsContact O-CB 3.24Å; A628-L643 WeakPolarHBondContact O-CB 3.43Å; A628-L643 PolarHBondContact O-N 2.81Å; L643-E645 WeakPolarHBondContact CD1-O 3.35Å; L643-E645 VanDerWaalsContact CD2-O 3.3Å; L643-E645 WeakPolarHBondContact CD2-O 3.17Å; L643-E645 WeakPolarHBondContact CG-O 3.26Å; L643-A647 HydrophobicContact CD2-CB 3.95Å; L643-C654 HydrophobicContact CD1-CB 3.53Å; L643-F656 HydrophobicContact CB-CD1 4.14Å; L643-F656 HydrophobicContact CB-CE1 3.72Å; L643-F656 HydrophobicContact CB-CZ 4.12Å; L643-F656 HydrophobicContact CD1-CD2 4.44Å; L643-F656 HydrophobicContact CD1-CE1 4.2Å; L643-F656 HydrophobicContact CD1-CE2 3.87Å; L643-F656 HydrophobicContact CD1-CZ 3.74Å; L643-F656 HydrophobicContact CG-CZ 4.46Å; L643-F860 HydrophobicContact CB-CE1 4.27Å; L643-F860 HydrophobicContact CD2-CE1 4Å; L643-F860 HydrophobicContact CD2-CZ 4.09Å |
| 644 | L | 92.1 | Very high | 87.6 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | trans | -93.4 | -14.9 | -175.8 | -65.4 | 176.1 | 0 | 0 | 0 | 114.4 | T642 R655 R657 E850 | T642-L644 PolarHBondContact O-N 3.17Å; L644-R655 HydrophobicContact CB-CB 4.38Å; L644-R655 WeakPolarHBondContact CB-O 3.42Å; L644-R655 HydrophobicContact CD1-CB 4.16Å; L644-R655 PolarHBondContact N-O 3.09Å; L644-R657 HydrophobicContact CD1-CB 4.35Å; L644-R657 HydrophobicContact CD2-CB 4.02Å; L644-R657 HydrophobicContact CG-CB 4.32Å; L644-E850 VanDerWaalsContact CD1-CD 3.42Å; L644-E850 HydrophobicContact CD1-CG 3.95Å; L644-E850 VanDerWaalsContact CD1-OE1 3.27Å; L644-E850 WeakPolarHBondContact CD1-OE1 3.31Å | ||
| 645 | E | 90.7 | Very high | 88.3 | Confident | 86.6667 Ų | 86.6667 | 46.8 Ų | 46.8 | 41% | 0.405 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -138.2 | 145.5 | -171.4 | -62.8 | -179.8 | -157.4 | 0 | 0 | 110.9 | L643 A647 R655 | L643-E645 WeakPolarHBondContact CD1-O 3.35Å; L643-E645 VanDerWaalsContact CD2-O 3.3Å; L643-E645 WeakPolarHBondContact CD2-O 3.17Å; L643-E645 WeakPolarHBondContact CG-O 3.26Å; E645-A647 PolarHBondContact O-N 3.21Å; E645-R655 IonicContact OE1-CZ 2.92Å; E645-R655 VanDerWaalsContact OE1-CZ 3.23Å; E645-R655 IonicContact OE1-NE 2.86Å; E645-R655 PolarHBondContact OE1-NE 2.87Å; E645-R655 IonicContact OE1-NH1 2.7Å; E645-R655 PolarHBondContact OE1-NH1 3.36Å; E645-R655 IonicContact OE1-NH2 3.6Å; E645-R655 PolarHBondContact OE1-NH2 3.12Å |
| 646 | D | 90 | Very high | 89.3 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | trans | -62.9 | 122.8 | 180 | -82.9 | -21.7 | 0 | 0 | 0 | 111.4 | P622 H625 A626 W648 | P622-D646 HydrophobicContact CB-CB 4Å; P622-D646 HydrophobicContact CG-CB 3.93Å; H625-D646 VanDerWaalsContact CA-OD1 3.31Å; H625-D646 WeakPolarHBondContact CA-OD1 3.2Å; H625-D646 IonicContact CG-OD1 2.77Å; H625-D646 IonicContact ND1-OD1 3.62Å; H625-D646 PolarHBondContact ND1-OD1 3.32Å; H625-D646 IonicContact ND1-OD2 2.66Å; A626-D646 PolarHBondContact N-OD1 3.16Å; D646-W648 PolarHBondContact O-NE1 3.2Å | ||
| 647 | A | 89.4 | Confident | 90.3 | Very high | 0.666667 Ų | 0.666667 | 49.8 Ų | 49.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -92 | 123.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | P622 I623 F624 L643 E645 L855 | P622-A647 CarbonylContact C-O 3.58Å; P622-A647 WeakPolarHBondContact CA-O 3.43Å; P622-A647 WeakPolarHBondContact CB-O 3.29Å; I623-A647 PolarHBondContact N-O 3.05Å; F624-A647 HydrophobicContact CB-CB 4.26Å; F624-A647 PolarHBondContact O-N 3.03Å; L643-A647 HydrophobicContact CD2-CB 3.95Å; E645-A647 PolarHBondContact O-N 3.21Å; A647-L855 HydrophobicContact CB-CD1 3.4Å; A647-L855 VanDerWaalsContact CB-CD1 3.42Å |
| 648 | W | 87.5 | Confident | 90.8 | Very high | 127.667 Ų | 127.667 | 48.5 Ų | 48.5 | 48% | 0.484 | 23% | 0.231 | S | C | . | . | trans | -103 | -24.6 | -172 | -66.5 | 84.5 | 0 | 0 | 0 | 114.9 | A621 P622 I623 D646 D652 | A621-W648 VanDerWaalsContact C-CZ3 3.42Å; P622-W648 HydrophobicContact CB-CD2 4.14Å; P622-W648 HydrophobicContact CB-CE3 4.42Å; P622-W648 HydrophobicContact CB-CG 4.45Å; P622-W648 HydrophobicContact CB-CH2 4.45Å; P622-W648 HydrophobicContact CB-CZ2 4.24Å; P622-W648 HydrophobicContact CG-CH2 4.42Å; P622-W648 HydrophobicContact CG-CZ2 4.31Å; I623-W648 VanDerWaalsContact CD1-O 3.27Å; I623-W648 WeakPolarHBondContact CD1-O 3.28Å; D646-W648 PolarHBondContact O-NE1 3.2Å; W648-D652 PolarHBondContact N-OD2 3.26Å | ||
| 649 | K | 88.2 | Confident | 90.3 | Very high | 126.667 Ų | 126.667 | 50.3 Ų | 50.3 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | trans | -140.5 | 151.9 | 174.7 | -50.4 | 174.6 | -168.1 | 152.8 | 0 | 111 | T651 D652 | K649-T651 PolarHBondContact O-N 3.09Å; K649-T651 VanDerWaalsContact O-N 3.12Å; K649-D652 WeakPolarHBondContact CB-OD1 3.35Å; K649-D652 WeakPolarHBondContact CB-OD2 3.11Å; K649-D652 PolarHBondContact N-OD2 2.83Å; K649-D652 IonicContact NZ-OD1 3.98Å; K649-D652 PolarHBondContact O-N 3.27Å | ||
| 650 | T | 86.3 | Confident | 89.1 | Confident | 18.3333 Ų | 18.3333 | 52.8 Ų | 52.8 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 1.8 | 173.2 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | Q543 I546 I623 L855 S856 | Q543-T650 HydrophobicContact CB-CG2 4.49Å; Q543-T650 WeakPolarHBondContact CG-OG1 3.45Å; Q543-T650 PolarHBondContact NE2-OG1 2.91Å; I546-T650 HydrophobicContact CD1-CG2 3.44Å; I546-T650 VanDerWaalsContact CD1-CG2 3.44Å; I623-T650 HydrophobicContact CD1-CG2 4.29Å; T650-L855 CarbonylContact O-C 3.53Å; T650-S856 WeakPolarHBondContact O-CA 3.33Å; T650-S856 PolarHBondContact O-N 3.05Å; T650-S856 VanDerWaalsContact O-N 3.1Å |
| 651 | T | 89.3 | Confident | 87.4 | Confident | 85.3333 Ų | 85.3333 | 57.5 Ų | 57.5 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -0.4 | 178 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | K649 | K649-T651 PolarHBondContact O-N 3.09Å; K649-T651 VanDerWaalsContact O-N 3.12Å |
| 652 | D | 90.7 | Very high | 84.8 | Confident | 43.3333 Ų | 43.3333 | 63.8 Ų | 63.8 | 23% | 0.232 | 32% | 0.315 | C | S | . | . | trans | -74.6 | 154.3 | 176.6 | -59.5 | -24.4 | 0 | 0 | 0 | 109.3 | W648 K649 L855 | W648-D652 PolarHBondContact N-OD2 3.26Å; K649-D652 WeakPolarHBondContact CB-OD1 3.35Å; K649-D652 WeakPolarHBondContact CB-OD2 3.11Å; K649-D652 PolarHBondContact N-OD2 2.83Å; K649-D652 IonicContact NZ-OD1 3.98Å; K649-D652 PolarHBondContact O-N 3.27Å; D652-L855 HydrophobicContact CB-CD1 4.39Å; D652-L855 WeakPolarHBondContact O-CB 3.16Å; D652-L855 WeakPolarHBondContact O-CG 3.42Å; D652-L855 PolarHBondContact O-N 3.27Å | ||
| 653 | I | 94.5 | Very high | 81.9 | Confident | 115 Ų | 115 | 67.5 Ų | 67.5 | 59% | 0.59 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.3 | 167.4 | -61.8 | 173 | 0 | 0 | 0 | 106.2 | D852 W853 C854 | I653-D852 HydrophobicContact CG2-CB 3.85Å; I653-W853 WeakPolarHBondContact CA-O 3.38Å; I653-C854 HydrophobicContact CG1-CB 4.23Å |
| 654 | C | 94.1 | Very high | 78.7 | Confident | 10.6667 Ų | 10.6667 | 73.3 Ų | 73.3 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.7 | -176.7 | -62.8 | 0 | 0 | 0 | 0 | 111 | L643 F656 W853 L855 | L643-C654 HydrophobicContact CD1-CB 3.53Å; C654-F656 HydrophobicContact CB-CE2 4.28Å; C654-F656 VanDerWaalsContact O-CD2 3.31Å; C654-F656 WeakPolarHBondContact O-CD2 3.39Å; C654-W853 PolarHBondContact N-O 3.26Å; C654-W853 PolarHBondContact O-N 3.34Å; C654-L855 HydrophobicContact CB-CD2 4.24Å; C654-L855 HydrophobicContact CB-CG 4.43Å |
| 655 | R | 95.3 | Very high | 75.5 | Confident | 95.6667 Ų | 95.6667 | 76.5 Ų | 76.5 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.7 | 175.8 | -69 | -179.8 | -30.5 | 159.3 | 1.1 | 111.4 | L644 E645 E850 E851 D852 | L644-R655 HydrophobicContact CB-CB 4.38Å; L644-R655 WeakPolarHBondContact CB-O 3.42Å; L644-R655 HydrophobicContact CD1-CB 4.16Å; L644-R655 PolarHBondContact N-O 3.09Å; E645-R655 IonicContact OE1-CZ 2.92Å; E645-R655 VanDerWaalsContact OE1-CZ 3.23Å; E645-R655 IonicContact OE1-NE 2.86Å; E645-R655 PolarHBondContact OE1-NE 2.87Å; E645-R655 IonicContact OE1-NH1 2.7Å; E645-R655 PolarHBondContact OE1-NH1 3.36Å; E645-R655 IonicContact OE1-NH2 3.6Å; E645-R655 PolarHBondContact OE1-NH2 3.12Å; R655-E850 IonicContact CZ-OE2 3.1Å; R655-E850 IonicContact NE-OE2 3.82Å; R655-E850 IonicContact NH1-OE1 2.7Å; R655-E850 IonicContact NH1-OE2 3.06Å; R655-E850 PolarHBondContact NH1-OE2 2.76Å; R655-E850 IonicContact NH2-OE1 3.35Å; R655-E850 IonicContact NH2-OE2 4Å; R655-E850 PolarHBondContact NH2-OE2 3.1Å; R655-E851 CarbonylContact C-O 3.56Å; R655-E851 WeakPolarHBondContact CA-O 3.36Å; R655-D852 WeakPolarHBondContact CG-OD1 3.46Å |
| 656 | F | 94.1 | Very high | 72.4 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.9 | 171.7 | -72.9 | -103.2 | 0 | 0 | 0 | 109.9 | T642 L643 C654 E850 E851 W853 L855 V858 F860 | T642-F656 CarbonylContact O-C 3.56Å; T642-F656 WeakPolarHBondContact O-CA 3.42Å; L643-F656 HydrophobicContact CB-CD1 4.14Å; L643-F656 HydrophobicContact CB-CE1 3.72Å; L643-F656 HydrophobicContact CB-CZ 4.12Å; L643-F656 HydrophobicContact CD1-CD2 4.44Å; L643-F656 HydrophobicContact CD1-CE1 4.2Å; L643-F656 HydrophobicContact CD1-CE2 3.87Å; L643-F656 HydrophobicContact CD1-CZ 3.74Å; L643-F656 HydrophobicContact CG-CZ 4.46Å; C654-F656 HydrophobicContact CB-CE2 4.28Å; C654-F656 VanDerWaalsContact O-CD2 3.31Å; C654-F656 WeakPolarHBondContact O-CD2 3.39Å; F656-E850 CarbonylContact O-C 3.58Å; F656-E850 VanDerWaalsContact O-CA 3.32Å; F656-E850 WeakPolarHBondContact O-CA 3.27Å; F656-E851 PolarHBondContact N-O 2.87Å; F656-E851 PolarHBondContact O-N 3.17Å; F656-W853 HydrophobicContact CB-CD2 3.97Å; F656-W853 HydrophobicContact CB-CE3 3.75Å; F656-W853 HydrophobicContact CB-CH2 4.39Å; F656-W853 HydrophobicContact CB-CZ3 3.97Å; F656-W853 AromaticContact CD1-CE3 3.59Å; F656-W853 HydrophobicContact CD1-CE3 3.59Å; F656-W853 AromaticContact CD1-CZ3 3.71Å; F656-W853 HydrophobicContact CD1-CZ3 3.71Å; F656-W853 HydrophobicContact CD2-CB 3.71Å; F656-W853 AromaticContact CD2-CD2 3.84Å; F656-W853 HydrophobicContact CD2-CD2 3.84Å; F656-W853 AromaticContact CD2-CE3 3.54Å; F656-W853 HydrophobicContact CD2-CE3 3.54Å; F656-W853 AromaticContact CD2-CG 3.94Å; F656-W853 HydrophobicContact CD2-CG 3.94Å; F656-W853 HydrophobicContact CD2-CZ3 4.43Å; F656-W853 HydrophobicContact CE1-CE3 4.02Å; F656-W853 HydrophobicContact CE1-CZ3 4.3Å; F656-W853 HydrophobicContact CE2-CB 3.87Å; F656-W853 HydrophobicContact CE2-CD2 4.49Å; F656-W853 AromaticContact CE2-CE3 3.98Å; F656-W853 HydrophobicContact CE2-CE3 3.99Å; F656-W853 HydrophobicContact CE2-CG 4.5Å; F656-W853 AromaticContact CG-CD2 3.88Å; F656-W853 HydrophobicContact CG-CD2 3.88Å; F656-W853 AromaticContact CG-CE3 3.33Å; F656-W853 HydrophobicContact CG-CE3 3.33Å; F656-W853 HydrophobicContact CG-CG 4.44Å; F656-W853 AromaticContact CG-CZ3 3.79Å; F656-W853 HydrophobicContact CG-CZ3 3.79Å; F656-W853 HydrophobicContact CZ-CE3 4.21Å; F656-L855 HydrophobicContact CE2-CD2 3.61Å; F656-L855 HydrophobicContact CZ-CD2 3.58Å; F656-V858 HydrophobicContact CE1-CG1 3.98Å; F656-V858 HydrophobicContact CE2-CG2 4.07Å; F656-V858 HydrophobicContact CZ-CB 4.34Å; F656-V858 HydrophobicContact CZ-CG1 3.84Å; F656-V858 HydrophobicContact CZ-CG2 3.95Å; F656-F860 AromaticContact CE1-CE1 4Å; F656-F860 HydrophobicContact CE1-CE1 4.06Å; F656-F860 HydrophobicContact CE1-CZ 4.23Å; F656-F860 HydrophobicContact CZ-CE1 4.12Å; F656-F860 AromaticContact CZ-CZ 3.81Å; F656-F860 HydrophobicContact CZ-CZ 3.81Å |
| 657 | R | 93 | Very high | 69.2 | Low | 92 Ų | 92 | 81.4 Ų | 81.4 | 35% | 0.347 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 113.1 | 162.8 | 178.3 | 176.7 | -64.1 | 171.6 | 3.8 | 108.3 | G641 T642 L644 F848 E850 | G641-R657 CarbonylContact C-O 3.57Å; G641-R657 WeakPolarHBondContact CA-O 3.45Å; T642-R657 PolarHBondContact N-O 2.94Å; T642-R657 PolarHBondContact O-N 2.84Å; L644-R657 HydrophobicContact CD1-CB 4.35Å; L644-R657 HydrophobicContact CD2-CB 4.02Å; L644-R657 HydrophobicContact CG-CB 4.32Å; R657-F848 HydrophobicContact CG-CB 3.84Å; R657-F848 HydrophobicContact CG-CD1 4Å; R657-F848 HydrophobicContact CG-CG 4.11Å; R657-E850 IonicContact NH2-OE1 2.79Å |
| 658 | V | 88.8 | Confident | 66.3 | Low | 9.33333 Ų | 9.33333 | 87.1 Ų | 87.1 | 6% | 0.057 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.9 | -178.5 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | K639 V660 L849 E851 W853 | K639-V658 HydrophobicContact CB-CG1 4.31Å; K639-V658 HydrophobicContact CD-CG1 4.27Å; V658-V660 PolarHBondContact O-N 3.05Å; V658-V660 VanDerWaalsContact O-N 3.17Å; V658-L849 HydrophobicContact CB-CD2 4.36Å; V658-L849 WeakPolarHBondContact CB-O 3.32Å; V658-L849 HydrophobicContact CG2-CD2 4.06Å; V658-L849 WeakPolarHBondContact CG2-O 3.27Å; V658-L849 PolarHBondContact N-O 3.06Å; V658-E851 HydrophobicContact CG2-CB 4Å; V658-E851 HydrophobicContact CG2-CG 3.92Å; V658-W853 HydrophobicContact CG1-CZ2 4.45Å; V658-W853 HydrophobicContact CG2-CH2 4.38Å; V658-W853 HydrophobicContact CG2-CZ2 3.69Å |
| 659 | N | 78.1 | Confident | 63.4 | Low | 53.6667 Ų | 53.6667 | 84.7 Ų | 84.7 | 29% | 0.287 | 50% | 0.501 | S | S | . | . | trans | -79.2 | 96.3 | 172.5 | -70.3 | -4.8 | 0 | 0 | 0 | 108.6 | S481 V640 M661 | S481-N659 PolarHBondContact O-ND2 3.01Å; V640-N659 PolarHBondContact O-N 3Å; N659-M661 PolarHBondContact O-N 2.67Å | ||
| 660 | V | 63.1 | Low | 60.5 | Low | 86.3333 Ų | 86.3333 | 86.1 Ų | 86.1 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | trans | -78.6 | 116.6 | 178 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | V658 N662 L849 | V658-V660 PolarHBondContact O-N 3.05Å; V658-V660 VanDerWaalsContact O-N 3.17Å; V660-N662 PolarHBondContact O-N 3.27Å; V660-L849 HydrophobicContact CG2-CB 4.01Å; V660-L849 HydrophobicContact CG2-CD1 4.38Å | ||
| 661 | M | 53.9 | Low | 57.6 | Low | 101.667 Ų | 101.667 | 92.8 Ų | 92.8 | 50% | 0.501 | 55% | 0.548 | S | S | . | . | trans | -78.4 | 105.7 | 177.4 | -163.6 | 94.7 | 138.4 | 0 | 0 | 110.1 | H480 N659 S663 | H480-M661 HydrophobicContact CB-CE 3.86Å; H480-M661 HydrophobicContact CB-SD 3.91Å; N659-M661 PolarHBondContact O-N 2.67Å; M661-S663 PolarHBondContact O-N 3.07Å | ||
| 662 | N | 36.3 | Very low | 54.5 | Low | 131.333 Ų | 131.333 | 97.3 Ų | 97.3 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | trans | -76.9 | 110.1 | 168.5 | -82.1 | -3.5 | 0 | 0 | 0 | 109.1 | V660 T664 | V660-N662 PolarHBondContact O-N 3.27Å; N662-T664 PolarHBondContact O-N 3.13Å | ||
| 663 | S | 30.5 | Very low | 51.5 | Low | 114 Ų | 114 | 100.3 Ų | 100.3 | 80% | 0.797 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -73 | 38.1 | -174.4 | -20 | 0 | 0 | 0 | 0 | 115.1 | M661 | M661-S663 PolarHBondContact O-N 3.07Š|
| 664 | T | 26 | Very low | 48.3 | Very low | 123 Ų | 123 | 100.7 Ų | 100.7 | 76% | 0.755 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -147.5 | 47.7 | -169.8 | 35 | 0 | 0 | 0 | 0 | 114.6 | N662 | N662-T664 PolarHBondContact O-N 3.13Š|
| 665 | S | 25 | Very low | 45 | Very low | 113.667 Ų | 113.667 | 108 Ų | 108 | 80% | 0.795 | 64% | 0.635 | S | S | * | * | trans | -173.2 | 92.5 | 154.4 | 35.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 666 | C | 25.6 | Very low | 41.6 | Very low | 121.667 Ų | 121.667 | 111.9 Ų | 111.9 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -150.3 | 43 | 167.2 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 667 | T | 24.2 | Very low | 38.4 | Very low | 139.667 Ų | 139.667 | 117.3 Ų | 117.3 | 86% | 0.857 | 69% | 0.693 | S | S | * | * | trans | -99.7 | 110.7 | 165.7 | 47.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 668 | S | 27.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -124.2 | 122.6 | -179.9 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 669 | G | 26.3 | Very low | 32.4 | Very low | 78.3333 Ų | 78.3333 | 123 Ų | 123 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -69.8 | 104.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N671 | G669-N671 PolarHBondContact O-N 3.01Š| ||
| 670 | I | 26.5 | Very low | 30 | Very low | 154.667 Ų | 154.667 | 127.8 Ų | 127.8 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -71.7 | 118.6 | 165.4 | -56.5 | 170.8 | 0 | 0 | 0 | 107.6 | ||||
| 671 | N | 27.1 | Very low | 28.4 | Very low | 158.667 Ų | 158.667 | 128.6 Ų | 128.6 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -125.1 | 130.1 | 161.7 | -103.7 | -8.1 | 0 | 0 | 0 | 107.9 | G669 | G669-N671 PolarHBondContact O-N 3.01Š| ||
| 672 | E | 24.4 | Very low | 27.3 | Very low | 181 Ų | 181 | 128.1 Ų | 128.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -71.8 | 150.1 | -172.7 | -60.6 | -173.6 | 129.7 | 0 | 0 | 113 | ||||
| 673 | S | 25.9 | Very low | 27.7 | Very low | 105.667 Ų | 105.667 | 128.2 Ų | 128.2 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -130.5 | 135.8 | 167.9 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | L675 | S673-L675 PolarHBondContact O-N 3.05Š| ||
| 674 | P | 27.6 | Very low | 28.7 | Very low | 124.667 Ų | 124.667 | 126.3 Ų | 126.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -97.9 | 124 | 160.7 | 32.1 | -31.1 | 0 | 0 | 0 | 112.8 | H676 | P674-H676 PolarHBondContact O-N 2.98Š| ||
| 675 | L | 25.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 123.5 Ų | 123.5 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -86.5 | 122.2 | 161.6 | -72.4 | 168.8 | 0 | 0 | 0 | 114.7 | S673 | S673-L675 PolarHBondContact O-N 3.05Š| ||
| 676 | H | 24.4 | Very low | 31.9 | Very low | 177.333 Ų | 177.333 | 123.6 Ų | 123.6 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -49.5 | 133.9 | 167.6 | -87.8 | -99 | 0 | 0 | 0 | 113.8 | P674 P678 | P674-H676 PolarHBondContact O-N 2.98Å; H676-P678 WeakPolarHBondContact O-CD 3.4Å | ||
| 677 | P | 27.2 | Very low | 34.1 | Very low | 114.667 Ų | 114.667 | 119.2 Ų | 119.2 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | -73.9 | 132.2 | 160.6 | 31 | -32.4 | 0 | 0 | 0 | 110.4 | A679 | P677-A679 PolarHBondContact O-N 3.36Š| ||
| 678 | P | 29.1 | Very low | 36.2 | Very low | 116.667 Ų | 116.667 | 116 Ų | 116 | 76% | 0.758 | 70% | 0.696 | S | S | * | * | trans | -76.9 | 136.8 | 173.7 | 31.5 | -33.9 | 0 | 0 | 0 | 111.4 | H676 L680 | H676-P678 WeakPolarHBondContact O-CD 3.4Å; P678-L680 HydrophobicContact CG-CD1 4.09Å; P678-L680 HydrophobicContact CG-CG 4.34Å; P678-L680 PolarHBondContact O-N 2.93Å | ||
| 679 | A | 26.6 | Very low | 37.9 | Very low | 103.333 Ų | 103.333 | 116.7 Ų | 116.7 | 85% | 0.854 | 69% | 0.689 | S | S | * | * | trans | -71.1 | 122.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P677 | P677-A679 PolarHBondContact O-N 3.36Š| ||
| 680 | L | 28 | Very low | 40 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 81% | 0.812 | 68% | 0.678 | S | S | * | * | trans | -113.9 | 127 | 175.5 | -85.1 | 164.6 | 0 | 0 | 0 | 111.7 | P678 S682 | P678-L680 HydrophobicContact CG-CD1 4.09Å; P678-L680 HydrophobicContact CG-CG 4.34Å; P678-L680 PolarHBondContact O-N 2.93Å; L680-S682 PolarHBondContact O-N 3.37Å | ||
| 681 | S | 28.9 | Very low | 42.2 | Very low | 102.667 Ų | 102.667 | 110 Ų | 110 | 72% | 0.718 | 64% | 0.64 | S | S | * | * | trans | -105.1 | 115.1 | 175.9 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | Q686 | S681-Q686 PolarHBondContact O-OE1 2.95Å; S681-Q686 PolarHBondContact OG-NE2 3.38Å; S681-Q686 VanDerWaalsContact OG-NE2 3.08Å; S681-Q686 PolarHBondContact OG-OE1 2.75Å | ||
| 682 | S | 30.7 | Very low | 44.4 | Very low | 90.6667 Ų | 90.6667 | 106.1 Ų | 106.1 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | trans | -152.6 | 106.5 | 168 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | L680 S684 S685 | L680-S682 PolarHBondContact O-N 3.37Å; S682-S684 VanDerWaalsContact C-N 3.29Å; S682-S684 PolarHBondContact O-N 3.07Å; S682-S685 PolarHBondContact O-N 3.19Å; S682-S685 PolarHBondContact O-OG 2.94Å; S682-S685 VanDerWaalsContact O-OG 3.09Å; S682-S685 PolarHBondContact OG-OG 3.13Å | ||
| 683 | D | 44.5 | Very low | 46.9 | Very low | 134.333 Ų | 134.333 | 101.7 Ų | 101.7 | 72% | 0.718 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -83.7 | -32.3 | 179.5 | -97.5 | -19.8 | 0 | 0 | 0 | 113.6 | S685 Q686 | D683-S685 PolarHBondContact O-N 2.96Å; D683-S685 PolarHBondContact OD2-OG 3.03Å; D683-Q686 PolarHBondContact O-N 2.83Å |
| 684 | S | 52.5 | Low | 49.1 | Very low | 73.6667 Ų | 73.6667 | 97.2 Ų | 97.2 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -20.8 | -174 | -87.2 | 0 | 0 | 0 | 0 | 114.2 | S682 A895 | S682-S684 VanDerWaalsContact C-N 3.29Å; S682-S684 PolarHBondContact O-N 3.07Å; S684-A895 PolarHBondContact OG-O 2.89Å |
| 685 | S | 54.1 | Low | 51.1 | Low | 64.6667 Ų | 64.6667 | 95.4 Ų | 95.4 | 45% | 0.452 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.5 | -40.3 | -178.8 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | S682 D683 H687 I688 | S682-S685 PolarHBondContact O-N 3.19Å; S682-S685 PolarHBondContact O-OG 2.94Å; S682-S685 VanDerWaalsContact O-OG 3.09Å; S682-S685 PolarHBondContact OG-OG 3.13Å; D683-S685 PolarHBondContact O-N 2.96Å; D683-S685 PolarHBondContact OD2-OG 3.03Å; S685-H687 VanDerWaalsContact C-N 3.32Å; S685-H687 PolarHBondContact O-N 2.79Å; S685-I688 PolarHBondContact O-N 2.79Å |
| 686 | Q | 63.1 | Low | 52.7 | Low | 115.667 Ų | 115.667 | 89.9 Ų | 89.9 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.5 | -32.8 | -176.8 | -62.3 | -172.1 | 14.7 | 0 | 0 | 113 | S681 D683 I688 L689 T690 | S681-Q686 PolarHBondContact O-OE1 2.95Å; S681-Q686 PolarHBondContact OG-NE2 3.38Å; S681-Q686 VanDerWaalsContact OG-NE2 3.08Å; S681-Q686 PolarHBondContact OG-OE1 2.75Å; D683-Q686 PolarHBondContact O-N 2.83Å; Q686-I688 VanDerWaalsContact C-N 3.31Å; Q686-I688 PolarHBondContact O-N 3.05Å; Q686-L689 PolarHBondContact O-N 3.26Å; Q686-T690 PolarHBondContact O-N 2.89Å; Q686-T690 VanDerWaalsContact O-N 3.17Å; Q686-T690 PolarHBondContact O-OG1 2.93Å |
| 687 | H | 72.6 | Confident | 54.2 | Low | 28.6667 Ų | 28.6667 | 86.4 Ų | 86.4 | 13% | 0.133 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -59 | -34.9 | 178.1 | 179.3 | -87.2 | 0 | 0 | 0 | 112.4 | S685 L689 T690 C691 C892 A895 C897 | S685-H687 VanDerWaalsContact C-N 3.32Å; S685-H687 PolarHBondContact O-N 2.79Å; H687-L689 VanDerWaalsContact C-N 3.3Å; H687-L689 PolarHBondContact O-N 3.23Å; H687-T690 PolarHBondContact O-N 2.73Å; H687-T690 PolarHBondContact O-OG1 2.84Å; H687-C691 VanDerWaalsContact CE1-CB 3.5Å; H687-C691 WeakPolarHBondContact CE1-CB 3.2Å; H687-C691 VanDerWaalsContact CE1-SG 3.58Å; H687-C691 PolarHBondContact NE2-SG 3.17Å; H687-C691 VanDerWaalsContact O-CB 3.28Å; H687-C691 WeakPolarHBondContact O-CB 3.43Å; H687-C691 PolarHBondContact O-N 3.14Å; H687-C691 VanDerWaalsContact O-N 3.11Å; H687-C892 WeakPolarHBondContact NE2-CA 3.21Å; H687-C892 PolarHBondContact NE2-N 3.42Å; H687-A895 HydrophobicContact CB-CB 3.63Å; H687-C897 VanDerWaalsContact CE1-CB 3.44Å; H687-C897 WeakPolarHBondContact CE1-CB 3.42Å |
| 688 | I | 67 | Low | 55.3 | Low | 73 Ų | 73 | 86.2 Ų | 86.2 | 37% | 0.374 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 178.8 | -66.2 | 174.8 | 0 | 0 | 0 | 110.9 | S685 Q686 T690 A694 Q888 Y899 | S685-I688 PolarHBondContact O-N 2.79Å; Q686-I688 VanDerWaalsContact C-N 3.31Å; Q686-I688 PolarHBondContact O-N 3.05Å; I688-T690 VanDerWaalsContact C-N 3.29Å; I688-T690 PolarHBondContact O-N 3.13Å; I688-A694 HydrophobicContact CG2-CB 4.24Å; I688-A694 WeakPolarHBondContact O-CB 3.32Å; I688-Q888 HydrophobicContact CG2-CB 3.76Å; I688-Q888 HydrophobicContact CG2-CG 3.52Å; I688-Q888 WeakPolarHBondContact O-CG 3.19Å; I688-Q888 PolarHBondContact O-NE2 2.95Å; I688-Y899 HydrophobicContact CG2-CE2 4.46Å |
| 689 | L | 64.8 | Low | 56 | Low | 134.667 Ų | 134.667 | 86.2 Ų | 86.2 | 71% | 0.705 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.9 | -19.5 | -178.6 | -62.7 | 175.7 | 0 | 0 | 0 | 114.1 | Q686 H687 | Q686-L689 PolarHBondContact O-N 3.26Å; H687-L689 VanDerWaalsContact C-N 3.3Å; H687-L689 PolarHBondContact O-N 3.23Å |
| 690 | T | 69.1 | Low | 56.7 | Low | 92.3333 Ų | 92.3333 | 89.5 Ų | 89.5 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -114 | -4.7 | -175.3 | 51.4 | 0 | 0 | 0 | 0 | 114 | Q686 H687 I688 P692 | Q686-T690 PolarHBondContact O-N 2.89Å; Q686-T690 VanDerWaalsContact O-N 3.17Å; Q686-T690 PolarHBondContact O-OG1 2.93Å; H687-T690 PolarHBondContact O-N 2.73Å; H687-T690 PolarHBondContact O-OG1 2.84Å; I688-T690 VanDerWaalsContact C-N 3.29Å; I688-T690 PolarHBondContact O-N 3.13Å; T690-P692 VanDerWaalsContact O-CD 3.31Å; T690-P692 WeakPolarHBondContact O-CD 3.4Å; T690-P692 VanDerWaalsContact O-N 3.09Å |
| 691 | C | 74.1 | Confident | 57 | Low | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 51% | 0.511 | C | S | . | . | trans | -70.5 | 116.4 | -177.4 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | H687 Y693 A694 L695 C897 | H687-C691 VanDerWaalsContact CE1-CB 3.5Å; H687-C691 WeakPolarHBondContact CE1-CB 3.2Å; H687-C691 VanDerWaalsContact CE1-SG 3.58Å; H687-C691 PolarHBondContact NE2-SG 3.17Å; H687-C691 VanDerWaalsContact O-CB 3.28Å; H687-C691 WeakPolarHBondContact O-CB 3.43Å; H687-C691 PolarHBondContact O-N 3.14Å; H687-C691 VanDerWaalsContact O-N 3.11Å; C691-Y693 VanDerWaalsContact C-N 3.29Å; C691-Y693 PolarHBondContact O-N 3.09Å; C691-A694 HydrophobicContact CB-CB 3.96Å; C691-A694 PolarHBondContact O-N 3.43Å; C691-L695 WeakPolarHBondContact O-CG 3.34Å; C691-L695 PolarHBondContact O-N 3.1Å; C691-L695 VanDerWaalsContact O-N 3.07Å; C691-C897 PolarHBondContact SG-SG 2.65Å; C691-C897 VanDerWaalsContact SG-SG 3.64Å | ||
| 692 | P | 73.5 | Confident | 57.2 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -29 | -178.7 | 25.4 | -33.8 | 0 | 0 | 0 | 112.6 | T690 A694 L695 G696 Q888 | T690-P692 VanDerWaalsContact O-CD 3.31Å; T690-P692 WeakPolarHBondContact O-CD 3.4Å; T690-P692 VanDerWaalsContact O-N 3.09Å; P692-A694 VanDerWaalsContact C-N 3.33Å; P692-A694 PolarHBondContact O-N 3.05Å; P692-L695 PolarHBondContact O-N 2.92Å; P692-G696 PolarHBondContact O-N 3.1Å; P692-Q888 HydrophobicContact CG-CG 4.1Å |
| 693 | Y | 75.9 | Confident | 57.2 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 35% | 0.353 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -29.3 | 174.8 | -54.7 | -75.4 | 0 | 0 | 0 | 113 | C691 Q888 A895 C897 Y899 P901 | C691-Y693 VanDerWaalsContact C-N 3.29Å; C691-Y693 PolarHBondContact O-N 3.09Å; Y693-Q888 HydrophobicContact CE2-CG 4.19Å; Y693-A895 WeakPolarHBondContact O-CB 3.47Å; Y693-C897 HydrophobicContact CD2-CB 4.33Å; Y693-C897 HydrophobicContact CG-CB 4.29Å; Y693-Y899 WeakPolarHBondContact CB-O 3.41Å; Y693-Y899 AromaticContact CE2-CD2 3.76Å; Y693-Y899 HydrophobicContact CE2-CD2 3.76Å; Y693-Y899 AromaticContact CE2-CE2 3.76Å; Y693-Y899 HydrophobicContact CE2-CE2 3.76Å; Y693-P901 HydrophobicContact CD1-CG 4.27Å; Y693-P901 HydrophobicContact CE1-CG 4.1Å |
| 694 | A | 71.3 | Confident | 56.7 | Low | 10.3333 Ų | 10.3333 | 96.9 Ų | 96.9 | 9% | 0.085 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -80.7 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I688 C691 P692 G696 L697 Y899 | I688-A694 HydrophobicContact CG2-CB 4.24Å; I688-A694 WeakPolarHBondContact O-CB 3.32Å; C691-A694 HydrophobicContact CB-CB 3.96Å; C691-A694 PolarHBondContact O-N 3.43Å; P692-A694 VanDerWaalsContact C-N 3.33Å; P692-A694 PolarHBondContact O-N 3.05Å; A694-G696 VanDerWaalsContact C-N 3.32Å; A694-G696 PolarHBondContact O-N 2.98Å; A694-L697 PolarHBondContact O-N 2.91Å; A694-Y899 HydrophobicContact CB-CD2 3.77Å; A694-Y899 HydrophobicContact CB-CE2 4.39Å; A694-Y899 HydrophobicContact CB-CG 4.25Å |
| 695 | L | 71 | Confident | 55.7 | Low | 87 Ų | 87 | 98.4 Ų | 98.4 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 179.2 | -65 | 171.3 | 0 | 0 | 0 | 112.8 | C691 P692 L697 T698 | C691-L695 WeakPolarHBondContact O-CG 3.34Å; C691-L695 PolarHBondContact O-N 3.1Å; C691-L695 VanDerWaalsContact O-N 3.07Å; P692-L695 PolarHBondContact O-N 2.92Å; L695-L697 VanDerWaalsContact C-N 3.27Å; L695-L697 PolarHBondContact O-N 2.9Å; L695-L697 VanDerWaalsContact O-N 3.11Å; L695-T698 PolarHBondContact O-N 3.06Å; L695-T698 VanDerWaalsContact O-N 3.12Å; L695-T698 PolarHBondContact O-OG1 2.85Å |
| 696 | G | 58.9 | Low | 54.7 | Low | 46.3333 Ų | 46.3333 | 100.6 Ų | 100.6 | 48% | 0.478 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.7 | -27.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P692 A694 T698 V699 | P692-G696 PolarHBondContact O-N 3.1Å; A694-G696 VanDerWaalsContact C-N 3.32Å; A694-G696 PolarHBondContact O-N 2.98Å; G696-T698 PolarHBondContact O-N 3.32Å; G696-T698 VanDerWaalsContact O-N 3.16Å; G696-V699 PolarHBondContact O-N 3.19Å |
| 697 | L | 54.5 | Low | 53.2 | Low | 104.333 Ų | 104.333 | 104.1 Ų | 104.1 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -20.8 | -179.6 | -74.6 | 171.1 | 0 | 0 | 0 | 113.7 | A694 L695 V699 A894 A895 Y899 | A694-L697 PolarHBondContact O-N 2.91Å; L695-L697 VanDerWaalsContact C-N 3.27Å; L695-L697 PolarHBondContact O-N 2.9Å; L695-L697 VanDerWaalsContact O-N 3.11Å; L697-V699 VanDerWaalsContact C-N 3.33Å; L697-A894 HydrophobicContact CD1-CB 4.38Å; L697-A895 HydrophobicContact CD1-CB 3.87Å; L697-Y899 HydrophobicContact CD1-CD1 3.65Å; L697-Y899 HydrophobicContact CD1-CE1 4.36Å; L697-Y899 HydrophobicContact CD1-CG 4.34Å |
| 698 | T | 50.1 | Low | 51.2 | Low | 110 Ų | 110 | 108.5 Ų | 108.5 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81.3 | -15.8 | -179.8 | 49 | 0 | 0 | 0 | 0 | 114 | L695 G696 | L695-T698 PolarHBondContact O-N 3.06Å; L695-T698 VanDerWaalsContact O-N 3.12Å; L695-T698 PolarHBondContact O-OG1 2.85Å; G696-T698 PolarHBondContact O-N 3.32Å; G696-T698 VanDerWaalsContact O-N 3.16Å |
| 699 | V | 45.4 | Very low | 49.4 | Very low | 118.333 Ų | 118.333 | 110.8 Ų | 110.8 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -91.4 | -28.1 | -175.8 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | G696 L697 N701 | G696-V699 PolarHBondContact O-N 3.19Å; L697-V699 VanDerWaalsContact C-N 3.33Å; V699-N701 VanDerWaalsContact C-N 3.31Å; V699-N701 PolarHBondContact O-N 2.86Å |
| 700 | H | 39.9 | Very low | 47.8 | Very low | 171.333 Ų | 171.333 | 109.2 Ų | 109.2 | 79% | 0.793 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 31.9 | -170.2 | -124.3 | -40.7 | 0 | 0 | 0 | 115.1 | ||
| 701 | N | 34.7 | Very low | 46 | Very low | 147 Ų | 147 | 110.1 Ų | 110.1 | 79% | 0.786 | 64% | 0.64 | S | S | * | * | trans | -133.6 | 50.7 | 177.8 | -152.3 | 12.5 | 0 | 0 | 0 | 113 | V699 H703 | V699-N701 VanDerWaalsContact C-N 3.31Å; V699-N701 PolarHBondContact O-N 2.86Å; N701-H703 PolarHBondContact O-N 3.03Å | ||
| 702 | Q | 32.6 | Very low | 43.9 | Very low | 177.333 Ų | 177.333 | 118.7 Ų | 118.7 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | -114.6 | 95.3 | 170 | -73.1 | -166.5 | -0.5 | 0 | 0 | 111.4 | ||||
| 703 | H | 31.9 | Very low | 41.9 | Very low | 174.333 Ų | 174.333 | 118.3 Ų | 118.3 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | trans | -160.6 | 108.1 | 160.4 | -113.8 | -77 | 0 | 0 | 0 | 116.9 | N701 | N701-H703 PolarHBondContact O-N 3.03Š| ||
| 704 | N | 33 | Very low | 39.8 | Very low | 139.333 Ų | 139.333 | 121.6 Ų | 121.6 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 99.6 | 119 | 157.8 | -82.3 | -3.1 | 0 | 0 | 0 | 118.4 | ||
| 705 | S | 32.8 | Very low | 37.9 | Very low | 106.667 Ų | 106.667 | 125.6 Ų | 125.6 | 75% | 0.746 | 75% | 0.746 | S | S | * | * | trans | 53.5 | 99.1 | 136.1 | 61.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 706 | S | 33.4 | Very low | 36 | Very low | 109.667 Ų | 109.667 | 128.3 Ų | 128.3 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | 37.2 | 143.4 | 136.3 | 55.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 707 | Q | 30.5 | Very low | 34.7 | Very low | 188.667 Ų | 188.667 | 131.4 Ų | 131.4 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 46.1 | 115.9 | 151.5 | -63 | 175.1 | -2.9 | 0 | 0 | 115.3 | ||||
| 708 | C | 30 | Very low | 33.4 | Very low | 122.667 Ų | 122.667 | 129.7 Ų | 129.7 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | -154.6 | 152.3 | 90.6 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 709 | S | 30.1 | Very low | 32.5 | Very low | 120.333 Ų | 120.333 | 130.5 Ų | 130.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -133.2 | 126.3 | 170.4 | -60.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 710 | A | 30.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -120.8 | 125.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 711 | S | 31.7 | Very low | 31.1 | Very low | 109.667 Ų | 109.667 | 133.3 Ų | 133.3 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | -153.5 | 121.6 | 177.7 | 55 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 712 | L | 30.2 | Very low | 31.2 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 113.7 | 155.6 | -85.1 | 108.4 | 0 | 0 | 0 | 108.1 | ||||
| 713 | G | 30.7 | Very low | 31 | Very low | 66.3333 Ų | 66.3333 | 128.4 Ų | 128.4 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -108.3 | 177.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 714 | N | 32.7 | Very low | 30.9 | Very low | 160.333 Ų | 160.333 | 126.7 Ų | 126.7 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | cis | -143.1 | 150 | -10.1 | -107.1 | 5.1 | 0 | 0 | 0 | 108.5 | ||||
| 715 | S | 30.9 | Very low | 30.7 | Very low | 94.3333 Ų | 94.3333 | 127.8 Ų | 127.8 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | cis | 139.8 | 122.9 | 22.1 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 716 | V | 31.1 | Very low | 30.6 | Very low | 142.333 Ų | 142.333 | 129.4 Ų | 129.4 | 86% | 0.863 | 79% | 0.792 | S | S | * | * | trans | -164.1 | 118.9 | 135.2 | 179 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 717 | S | 31.2 | Very low | 30.4 | Very low | 112.333 Ų | 112.333 | 128 Ų | 128 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | 107.7 | 143.1 | -21.2 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 718 | G | 29.1 | Very low | 30.3 | Very low | 69.3333 Ų | 69.3333 | 125.4 Ų | 125.4 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | cis | -157.9 | 166.8 | 4.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 719 | V | 31.1 | Very low | 30.3 | Very low | 126.667 Ų | 126.667 | 124.2 Ų | 124.2 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | 167.9 | 131.5 | 66.5 | 166.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 720 | Q | 29.2 | Very low | 30.2 | Very low | 162.667 Ų | 162.667 | 124.3 Ų | 124.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | 39.6 | 158.9 | 113.1 | -78.1 | 171.9 | -20.9 | 0 | 0 | 118.5 | |||||
| 721 | F | 26.7 | Very low | 30.1 | Very low | 185.667 Ų | 185.667 | 123.4 Ų | 123.4 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | cis | -156.5 | -175.8 | -19.1 | -91.9 | -51 | 0 | 0 | 0 | 108.3 | ||||
| 722 | P | 35.4 | Very low | 29.9 | Very low | 112.667 Ų | 112.667 | 121.8 Ų | 121.8 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | -135.7 | -177 | -13.6 | 39.9 | -20.5 | 0 | 0 | 0 | 116 | ||||
| 723 | S | 29.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 19.3 | 146.1 | 151.6 | -59 | 0 | 0 | 0 | 0 | 121 | ||||
| 724 | D | 29.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | 177.4 | 154.4 | 97.4 | -117.3 | -17.4 | 0 | 0 | 0 | 118.3 | |||||
| 725 | Q | 29.6 | Very low | 29.8 | Very low | 163.333 Ų | 163.333 | 120.3 Ų | 120.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 53.9 | 148.4 | 158.2 | -68.6 | 171.4 | 48.9 | 0 | 0 | 120.5 | ||||
| 726 | V | 29.3 | Very low | 29.7 | Very low | 140.667 Ų | 140.667 | 121.6 Ų | 121.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | 87.5 | 145.8 | 113.8 | 179.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 727 | A | 29.6 | Very low | 29.8 | Very low | 79.3333 Ų | 79.3333 | 122.3 Ų | 122.3 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -135 | 157.1 | -10.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 728 | V | 27.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | 70.9 | 121.5 | 117.4 | 171.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 729 | S | 29.7 | Very low | 30 | Very low | 97.6667 Ų | 97.6667 | 128.6 Ų | 128.6 | 68% | 0.683 | 78% | 0.779 | S | S | * | * | 118.9 | 132.5 | 125.3 | 62.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 730 | S | 28.9 | Very low | 30 | Very low | 123.667 Ų | 123.667 | 130.3 Ų | 130.3 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | 65.4 | 119.6 | 136.3 | -26.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 731 | G | 28.3 | Very low | 30 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 172.7 | 101.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 732 | G | 27.4 | Very low | 30.3 | Very low | 77.3333 Ų | 77.3333 | 129.8 Ų | 129.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 155.5 | 141.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 733 | S | 30.1 | Very low | 30.4 | Very low | 109.667 Ų | 109.667 | 129.2 Ų | 129.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 169.6 | 141.1 | 134 | 57.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 734 | N | 29.1 | Very low | 30.7 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 45.6 | 121.3 | 157.9 | -57.2 | -17.1 | 0 | 0 | 0 | 120.4 | ||||
| 735 | S | 31.9 | Very low | 31 | Very low | 113.667 Ų | 113.667 | 128.5 Ų | 128.5 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | trans | 166.2 | 135.2 | 132.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 736 | T | 30 | Very low | 31.1 | Very low | 120.667 Ų | 120.667 | 126.4 Ų | 126.4 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -147.7 | 128.9 | 101.6 | -29.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 737 | L | 33.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | -156.7 | 126 | 100.4 | -84 | 168.3 | 0 | 0 | 0 | 113.3 | |||||
| 738 | T | 30.1 | Very low | 31.5 | Very low | 108.333 Ų | 108.333 | 127.6 Ų | 127.6 | 67% | 0.665 | 78% | 0.784 | S | S | * | * | trans | -39.3 | 136.8 | 157.4 | 50.8 | 0 | 0 | 0 | 0 | 116.1 | Q740 | T738-Q740 PolarHBondContact O-N 3.13Š| ||
| 739 | F | 33.9 | Very low | 31.8 | Very low | 206.333 Ų | 206.333 | 125.7 Ų | 125.7 | 91% | 0.905 | 78% | 0.782 | S | S | * | * | -121.4 | 133.4 | 113.1 | -103.8 | -87.9 | 0 | 0 | 0 | 111.9 | |||||
| 740 | Q | 30.6 | Very low | 31.8 | Very low | 162.667 Ų | 162.667 | 127.3 Ų | 127.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -129.1 | 122.6 | -177.7 | 177.5 | 178.4 | -4.4 | 0 | 0 | 109.2 | T738 M742 | T738-Q740 PolarHBondContact O-N 3.13Å; Q740-M742 PolarHBondContact O-N 2.98Å | ||
| 741 | E | 29.3 | Very low | 32.2 | Very low | 192.667 Ų | 192.667 | 126.7 Ų | 126.7 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 138.4 | 174.1 | -166 | 166 | -175.7 | 0 | 0 | 110.7 | ||
| 742 | M | 34 | Very low | 32.4 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 141.7 | -169.9 | -73.5 | -83.2 | -71.9 | 0 | 0 | 111.6 | Q740 | Q740-M742 PolarHBondContact O-N 2.98Š|
| 743 | P | 36.1 | Very low | 32.6 | Very low | 98.3333 Ų | 98.3333 | 130.2 Ų | 130.2 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 154.4 | 161.4 | 30.9 | -34.5 | 0 | 0 | 0 | 110.2 | ||
| 744 | P | 36.8 | Very low | 32.9 | Very low | 120.333 Ų | 120.333 | 130 Ų | 130 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 139.1 | -179.9 | 25.4 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 745 | P | 34.9 | Very low | 33 | Very low | 111.667 Ų | 111.667 | 129.2 Ų | 129.2 | 73% | 0.725 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 140.8 | -171.5 | 27.8 | -35.2 | 0 | 0 | 0 | 112.2 | S747 | P745-S747 PolarHBondContact O-N 3.3Š|
| 746 | P | 32.2 | Very low | 33.1 | Very low | 119.333 Ų | 119.333 | 132.8 Ų | 132.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133 | 171.2 | 29.5 | -33.8 | 0 | 0 | 0 | 110.4 | P748 | P746-P748 VanDerWaalsContact O-CD 3.31Å; P746-P748 WeakPolarHBondContact O-CD 3.42Å |
| 747 | S | 35.8 | Very low | 33.1 | Very low | 121.333 Ų | 121.333 | 133 Ų | 133 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 121.3 | 178.2 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | P745 | P745-S747 PolarHBondContact O-N 3.3Š|
| 748 | P | 31.8 | Very low | 33 | Very low | 124.333 Ų | 124.333 | 129.1 Ų | 129.1 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 147.2 | -175.1 | 34 | -33.5 | 0 | 0 | 0 | 113.2 | P746 | P746-P748 VanDerWaalsContact O-CD 3.31Å; P746-P748 WeakPolarHBondContact O-CD 3.42Å |
| 749 | A | 32.6 | Very low | 33.4 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 106.1 | 79.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 750 | S | 30.5 | Very low | 33.2 | Very low | 132.333 Ų | 132.333 | 126.3 Ų | 126.3 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -150.7 | 92.4 | 141.9 | -77.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 751 | S | 36.4 | Very low | 33.3 | Very low | 109.667 Ų | 109.667 | 130.2 Ų | 130.2 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -97.2 | 149.3 | 173.1 | 54.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 752 | T | 33.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | -123.1 | 154.7 | 51.1 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 753 | C | 32.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | cis | 165.7 | 169.6 | 11.6 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 754 | S | 35.6 | Very low | 33.3 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 168.3 | 160.9 | 63.1 | -82.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 755 | D | 31.2 | Very low | 32.9 | Very low | 138.333 Ų | 138.333 | 124 Ų | 124 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -50.1 | 139.8 | 172.4 | -50.8 | -85.3 | 0 | 0 | 0 | 118.8 | ||||
| 756 | Q | 33.5 | Very low | 32.9 | Very low | 187.667 Ų | 187.667 | 125 Ų | 125 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | 160.1 | 138.7 | 119.5 | -87.9 | 170.8 | 41.1 | 0 | 0 | 116.2 | |||||
| 757 | S | 31.4 | Very low | 32.8 | Very low | 126.333 Ų | 126.333 | 129.6 Ų | 129.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -111.3 | 143.7 | 170 | -29.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 758 | G | 30.4 | Very low | 32.6 | Very low | 73.6667 Ų | 73.6667 | 133.2 Ų | 133.2 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -153.7 | 155.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 759 | P | 38.1 | Very low | 32.6 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -113.6 | 171 | -156.5 | 39.8 | -31.7 | 0 | 0 | 0 | 116 | ||||
| 760 | V | 31.1 | Very low | 32.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 20.3 | 131.4 | 167.9 | -173.7 | 0 | 0 | 0 | 0 | 117.5 | V762 | V760-V762 HydrophobicContact CG1-CG2 4.07Š| ||
| 761 | R | 32.7 | Very low | 32.6 | Very low | 245.333 Ų | 245.333 | 146.2 Ų | 146.2 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | -177.5 | 148.5 | 139.9 | -81.9 | 177.9 | -175.7 | 175.6 | 2.2 | 112.3 | ||||
| 762 | V | 30.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -123.6 | 142.3 | 170.7 | -170 | 0 | 0 | 0 | 0 | 110.7 | V760 | V760-V762 HydrophobicContact CG1-CG2 4.07Š| ||
| 763 | S | 32 | Very low | 32.3 | Very low | 113.667 Ų | 113.667 | 146.1 Ų | 146.1 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | trans | -145.3 | 160.1 | 157.4 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 764 | P | 36.6 | Very low | 32.1 | Very low | 117.333 Ų | 117.333 | 145.8 Ų | 145.8 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -109 | 154.6 | -155.1 | 37.8 | -30.5 | 0 | 0 | 0 | 114.1 | ||||
| 765 | G | 28.9 | Very low | 32 | Very low | 65.6667 Ų | 65.6667 | 148.9 Ų | 148.9 | 68% | 0.677 | 81% | 0.812 | S | S | * | * | trans | 168.5 | 114 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 766 | T | 34 | Very low | 32.1 | Very low | 132.667 Ų | 132.667 | 148.2 Ų | 148.2 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 96.4 | 134 | 146.3 | 60.3 | 0 | 0 | 0 | 0 | 117.1 | K768 | T766-K768 PolarHBondContact O-N 3.12Š| ||
| 767 | F | 30 | Very low | 32 | Very low | 216.667 Ų | 216.667 | 142.9 Ų | 142.9 | 95% | 0.95 | 81% | 0.813 | S | S | * | * | trans | -77 | 114.4 | 169.3 | -73.4 | -98.2 | 0 | 0 | 0 | 110.7 | ||||
| 768 | K | 31.8 | Very low | 32.1 | Very low | 197.333 Ų | 197.333 | 143.3 Ų | 143.3 | 86% | 0.858 | 81% | 0.806 | S | S | * | * | trans | -106.3 | 97.2 | 164.1 | -90 | -173.8 | 175.5 | 176.4 | 0 | 112.2 | T766 K770 | T766-K768 PolarHBondContact O-N 3.12Å; K768-K770 PolarHBondContact O-N 3.23Å; K768-K770 VanDerWaalsContact O-N 3.15Å | ||
| 769 | R | 30.9 | Very low | 32.2 | Very low | 233.667 Ų | 233.667 | 150.2 Ų | 150.2 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -33.8 | 115.3 | 159 | -178.8 | -172.4 | -122.3 | 171.3 | 0.5 | 111.2 | K771 | R769-K771 HydrophobicContact CG-CB 4.38Å; R769-K771 PolarHBondContact O-N 3.08Å | ||
| 770 | K | 32.3 | Very low | 31.8 | Very low | 210.667 Ų | 210.667 | 148.8 Ų | 148.8 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -71.6 | 102.9 | 175.4 | -161.9 | 173 | -174.4 | 178.4 | 0 | 109.1 | K768 V772 | K768-K770 PolarHBondContact O-N 3.23Å; K768-K770 VanDerWaalsContact O-N 3.15Å; K770-V772 PolarHBondContact O-N 2.88Å | ||
| 771 | K | 30.9 | Very low | 31.8 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -82.4 | 137.1 | -177.7 | -167.5 | -179.5 | 179.9 | -173.9 | 0 | 110.1 | R769 P773 | R769-K771 HydrophobicContact CG-CB 4.38Å; R769-K771 PolarHBondContact O-N 3.08Å; K771-P773 WeakPolarHBondContact O-CD 3.34Å | ||
| 772 | V | 30.7 | Very low | 31.8 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -56.3 | 130.7 | 167.5 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | K770 S774 | K770-V772 PolarHBondContact O-N 2.88Å; V772-S774 PolarHBondContact O-N 3.32Å | ||
| 773 | P | 32.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -78.2 | 114.4 | 167.2 | 7 | 4.8 | 0 | 0 | 0 | 109.7 | K771 | K771-P773 WeakPolarHBondContact O-CD 3.34Š| ||
| 774 | S | 29.5 | Very low | 31.9 | Very low | 103.667 Ų | 103.667 | 149.2 Ų | 149.2 | 73% | 0.725 | 79% | 0.789 | S | S | * | * | trans | -125.1 | 109.8 | 166.6 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | V772 | V772-S774 PolarHBondContact O-N 3.32Š| ||
| 775 | I | 33.6 | Very low | 31.8 | Very low | 171 Ų | 171 | 147 Ų | 147 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -109.2 | 124.4 | 165.7 | 15.6 | 172.4 | 0 | 0 | 0 | 112.5 | ||||
| 776 | S | 32 | Very low | 32 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -144.9 | 142.2 | 162.1 | 54 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 777 | G | 32.8 | Very low | 32 | Very low | 76.6667 Ų | 76.6667 | 154.8 Ų | 154.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 155.1 | 112.1 | -158.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 778 | D | 32.8 | Very low | 32.1 | Very low | 134.667 Ų | 134.667 | 150.8 Ų | 150.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 102.4 | 146 | 56.1 | -153.5 | 25.7 | 0 | 0 | 0 | 116.2 | |||||
| 779 | R | 32.2 | Very low | 32.3 | Very low | 219 Ų | 219 | 149.2 Ų | 149.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 42.9 | 165.5 | 163.3 | -74.4 | 168.2 | -177 | -174.1 | -8.3 | 117.3 | ||||
| 780 | S | 30.6 | Very low | 32.4 | Very low | 98.3333 Ų | 98.3333 | 141.6 Ų | 141.6 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | 179.2 | 146.7 | -25.7 | 152.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 781 | E | 31.6 | Very low | 32.3 | Very low | 145.333 Ų | 145.333 | 138 Ų | 138 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | 160.3 | 157.2 | 173.7 | -93 | -161.3 | 130.5 | 0 | 0 | 112 | ||||
| 782 | R | 31.9 | Very low | 32.6 | Very low | 188 Ų | 188 | 138 Ų | 138 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | cis | -174.2 | 140.2 | 6 | -76 | -178.2 | -165.6 | 179.5 | 12.2 | 115.5 | ||||
| 783 | I | 32.1 | Very low | 32.7 | Very low | 158.667 Ų | 158.667 | 138.6 Ų | 138.6 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | -171.8 | 138 | 126.5 | -66.9 | 170.1 | 0 | 0 | 0 | 111.1 | |||||
| 784 | V | 32.6 | Very low | 32.8 | Very low | 133.667 Ų | 133.667 | 140.8 Ų | 140.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 73.3 | 131.3 | 151.1 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 785 | G | 33 | Very low | 32.8 | Very low | 69.3333 Ų | 69.3333 | 138.8 Ų | 138.8 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | cis | 174.3 | 170.7 | 3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 786 | D | 34 | Very low | 32.7 | Very low | 142.667 Ų | 142.667 | 143.2 Ų | 143.2 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | -167.9 | 162.3 | 145.4 | -130.5 | -11.8 | 0 | 0 | 0 | 112.6 | ||||
| 787 | W | 35.1 | Very low | 32.8 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | 80.2 | 120.9 | 142.8 | -60.4 | 99 | 0 | 0 | 0 | 117.6 | ||||
| 788 | D | 32 | Very low | 32.8 | Very low | 133.333 Ų | 133.333 | 141.5 Ų | 141.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -147.4 | 149.6 | 169.1 | -102.2 | -32.6 | 0 | 0 | 0 | 112.5 | ||||
| 789 | I | 35.5 | Very low | 32.9 | Very low | 163.667 Ų | 163.667 | 147.2 Ų | 147.2 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | 100.7 | 131.6 | 119.1 | -69.4 | 167.5 | 0 | 0 | 0 | 113.2 | |||||
| 790 | G | 32.5 | Very low | 32.9 | Very low | 74.6667 Ų | 74.6667 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 159.8 | 91.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 791 | N | 30.4 | Very low | 33.2 | Very low | 134.667 Ų | 134.667 | 147.3 Ų | 147.3 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -65.4 | 128.2 | 168.1 | 173.3 | 26.8 | 0 | 0 | 0 | 115.2 | ||||
| 792 | Q | 36.9 | Very low | 33.2 | Very low | 176.667 Ų | 176.667 | 146.1 Ų | 146.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -173.7 | 141.7 | 138.4 | -106.3 | 161.5 | 106.1 | 0 | 0 | 114.3 | ||||
| 793 | N | 32.5 | Very low | 33.4 | Very low | 125.667 Ų | 125.667 | 141.2 Ų | 141.2 | 67% | 0.672 | 79% | 0.793 | S | S | * | * | trans | 29.5 | 146.6 | 131.1 | -74.5 | -31.1 | 0 | 0 | 0 | 118.2 | ||||
| 794 | N | 35.4 | Very low | 33.6 | Very low | 164.333 Ų | 164.333 | 139.9 Ų | 139.9 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 65.9 | 146.8 | 162.6 | -59.3 | -36.7 | 0 | 0 | 0 | 117.1 | ||||
| 795 | G | 30 | Very low | 33.8 | Very low | 62 Ų | 62 | 143.9 Ų | 143.9 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | cis | 134.7 | 125.7 | -1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 796 | R | 31.3 | Very low | 33.6 | Very low | 263 Ų | 263 | 147.6 Ų | 147.6 | 99% | 0.992 | 79% | 0.792 | S | S | * | * | trans | 71.2 | 148.6 | 176.9 | -49.4 | 173.6 | 178.2 | -169.6 | -1.5 | 115.4 | ||||
| 797 | G | 33.8 | Very low | 34.2 | Very low | 72.3333 Ų | 72.3333 | 146.3 Ų | 146.3 | 75% | 0.746 | 79% | 0.791 | S | S | * | * | trans | 158.2 | 160.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 798 | A | 33.1 | Very low | 34.1 | Very low | 90.6667 Ų | 90.6667 | 140.6 Ų | 140.6 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | cis | 106.8 | 150.3 | 3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 799 | R | 34.9 | Very low | 34.2 | Very low | 254.333 Ų | 254.333 | 142.4 Ų | 142.4 | 96% | 0.96 | 79% | 0.793 | S | S | * | * | trans | 75.6 | 126.3 | 178.5 | -50.4 | 166.8 | -178.5 | -178.4 | -0.1 | 114.9 | ||||
| 800 | G | 32.4 | Very low | 34.1 | Very low | 69.6667 Ų | 69.6667 | 137.8 Ų | 137.8 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | cis | 133 | 166.2 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 801 | R | 35.7 | Very low | 34.1 | Very low | 249.75 Ų | 249.75 | 141.1 Ų | 141.1 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | 101.1 | 134.8 | 174.2 | -69.3 | -179.6 | -179 | -123.5 | 0.1 | 113.6 | ||||
| 802 | S | 32.1 | Very low | 34.5 | Very low | 120.5 Ų | 120.5 | 140.1 Ų | 140.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | 135.3 | 155 | 56.3 | -119.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 803 | A | 36.9 | Very low | 34.4 | Very low | 85.75 Ų | 85.75 | 137.9 Ų | 137.9 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | 140.7 | 149.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 804 | D | 35 | Very low | 34.5 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | -165 | 155.1 | 7.7 | -124 | -9.1 | 0 | 0 | 0 | 112.3 | ||||
| 805 | R | 37.6 | Very low | 34.8 | Very low | 217.25 Ų | 217.25 | 136.5 Ų | 136.5 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | 128.7 | 143.4 | 114.1 | -103.3 | 165.7 | -165.2 | -156.9 | -8.1 | 118 | |||||
| 806 | D | 29.8 | Very low | 34.9 | Very low | 147.5 Ų | 147.5 | 137.5 Ų | 137.5 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | -51.2 | 170.5 | 148.6 | -76 | -57.7 | 0 | 0 | 0 | 116.1 | ||||
| 807 | P | 46.3 | Very low | 35 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -130 | 157.2 | 97.6 | 38.1 | -26.1 | 0 | 0 | 0 | 114.2 | |||||
| 808 | S | 32.2 | Very low | 34.9 | Very low | 99.5 Ų | 99.5 | 136.9 Ų | 136.9 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | -49.3 | 146.9 | 133.8 | 63.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 809 | I | 33.8 | Very low | 34.7 | Very low | 172.5 Ų | 172.5 | 143.8 Ų | 143.8 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | -168.5 | 134.7 | 129.9 | -68.8 | 162.6 | 0 | 0 | 0 | 111.1 | |||||
| 810 | G | 32.9 | Very low | 34.5 | Very low | 66.75 Ų | 66.75 | 135.4 Ų | 135.4 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | 158 | 128.4 | 75.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 811 | V | 32.9 | Very low | 34.5 | Very low | 143.25 Ų | 143.25 | 137.3 Ų | 137.3 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -135.2 | 141.8 | 169.9 | 162.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 812 | P | 40.2 | Very low | 34.3 | Very low | 112.75 Ų | 112.75 | 131 Ų | 131 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | -134 | -179.8 | 83.5 | 36.4 | -17 | 0 | 0 | 0 | 114.6 | |||||
| 813 | V | 34.4 | Very low | 34.4 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | -150.4 | 128.3 | 85.2 | -177.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 814 | N | 33.4 | Very low | 34.3 | Very low | 149.5 Ų | 149.5 | 133.9 Ų | 133.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -8.4 | 165.6 | 153.4 | -97.2 | -3.3 | 0 | 0 | 0 | 116.8 | ||||
| 815 | P | 42.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -137.8 | -176 | -83.2 | 40.6 | -24.3 | 0 | 0 | 0 | 114.9 | |||||
| 816 | A | 31 | Very low | 33.9 | Very low | 82.75 Ų | 82.75 | 130.7 Ų | 130.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | 67.8 | 143.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 817 | N | 33.8 | Very low | 34 | Very low | 140.75 Ų | 140.75 | 129.6 Ų | 129.6 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | 166.8 | 135.5 | 105.8 | -97.6 | -47.6 | 0 | 0 | 0 | 115.8 | |||||
| 818 | K | 33.2 | Very low | 33.2 | Very low | 182.75 Ų | 182.75 | 129.9 Ų | 129.9 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | trans | 82.1 | 132.1 | 143.8 | -79.9 | 170.9 | -177.3 | 171.2 | 0 | 115 | ||||
| 819 | R | 28.8 | Very low | 33.3 | Very low | 236 Ų | 236 | 132.4 Ų | 132.4 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | 140.9 | 137.4 | 91 | -84 | -173.4 | 178.4 | -167.3 | -0.8 | 112.2 | |||||
| 820 | G | 30.4 | Very low | 33 | Very low | 78.5 Ų | 78.5 | 131 Ų | 131 | 81% | 0.809 | 75% | 0.751 | S | S | * | * | trans | 119.6 | 143.9 | 146 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 821 | S | 31.8 | Very low | 32.9 | Very low | 109.5 Ų | 109.5 | 133.4 Ų | 133.4 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | cis | -150.9 | 153.1 | -1.8 | -161.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 822 | V | 31.9 | Very low | 32.8 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | trans | 43.1 | 155.7 | 146.1 | -123.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 823 | D | 32.8 | Very low | 32.4 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | 131.7 | 149.5 | 108.1 | -78.6 | -27.4 | 0 | 0 | 0 | 118 | |||||
| 824 | L | 35.8 | Very low | 32.2 | Very low | 133.5 Ų | 133.5 | 137.7 Ų | 137.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | 116.1 | 136.9 | 61.1 | -85.6 | 165.2 | 0 | 0 | 0 | 118.1 | |||||
| 825 | N | 30.8 | Very low | 32.2 | Very low | 125.5 Ų | 125.5 | 135.1 Ų | 135.1 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | 53.1 | 151 | 144.2 | -62.5 | 3.3 | 0 | 0 | 0 | 122.8 | ||||
| 826 | H | 34.2 | Very low | 31.5 | Very low | 156.5 Ų | 156.5 | 136.8 Ų | 136.8 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | 140.3 | 148.8 | 87.7 | -98.9 | -47.7 | 0 | 0 | 0 | 116.7 | |||||
| 827 | D | 30.4 | Very low | 31.6 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | 125.9 | 147.3 | 138.7 | -81.6 | 19.3 | 0 | 0 | 0 | 118.8 | ||||
| 828 | V | 31 | Very low | 31.5 | Very low | 120.75 Ų | 120.75 | 137.8 Ų | 137.8 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | 78.1 | 136.4 | 128.9 | 166.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 829 | I | 32.8 | Very low | 31.4 | Very low | 151.75 Ų | 151.75 | 135.5 Ų | 135.5 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 103.7 | 130.7 | 152 | -75.6 | 174.1 | 0 | 0 | 0 | 117.4 | ||||
| 830 | D | 28.7 | Very low | 31.5 | Very low | 143.75 Ų | 143.75 | 130.1 Ų | 130.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 70.9 | 146.3 | 132 | -101 | -18.7 | 0 | 0 | 0 | 124.2 | ||||
| 831 | V | 29.8 | Very low | 31.4 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | 166.4 | 136.3 | 151.7 | 171.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 832 | T | 31.8 | Very low | 31.4 | Very low | 120.5 Ų | 120.5 | 137 Ų | 137 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | 130.6 | 118.8 | 149.4 | 28.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 833 | T | 30.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 53.2 | 131.8 | 140.6 | 59.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 834 | R | 31.1 | Very low | 31.3 | Very low | 237.25 Ų | 237.25 | 137.6 Ų | 137.6 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | 93.5 | 148 | 130.4 | -96.9 | 176.8 | 159.9 | 168.6 | -0.3 | 115.6 | ||||
| 835 | S | 32.3 | Very low | 31.1 | Very low | 94.75 Ų | 94.75 | 137.8 Ų | 137.8 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | 135.5 | 139.8 | 80.1 | 47.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 836 | D | 28 | Very low | 31.7 | Very low | 146.75 Ų | 146.75 | 136.1 Ų | 136.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 69.2 | 140.8 | 124.1 | -68.1 | -39.7 | 0 | 0 | 0 | 120.2 | |||||
| 837 | I | 34 | Very low | 32.3 | Very low | 173 Ų | 173 | 135 Ų | 135 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | 131.3 | 134.1 | 146.4 | -79 | 149.7 | 0 | 0 | 0 | 114.4 | ||||
| 838 | G | 30.7 | Very low | 33.8 | Very low | 70.25 Ų | 70.25 | 134.8 Ų | 134.8 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | 137.8 | 54.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | S840 | G838-S840 PolarHBondContact O-N 3.12Š| ||
| 839 | C | 31.1 | Very low | 36.3 | Very low | 135.25 Ų | 135.25 | 133.1 Ų | 133.1 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | -93.6 | 116.9 | 173.4 | -74 | 0 | 0 | 0 | 0 | 112.9 | R841 | C839-R841 PolarHBondContact O-N 2.73Š| ||
| 840 | S | 31.5 | Very low | 39 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | -73.6 | 131.5 | 172.8 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | G838 A842 | G838-S840 PolarHBondContact O-N 3.12Å; S840-A842 PolarHBondContact O-N 2.88Å | ||
| 841 | R | 29.5 | Very low | 41.9 | Very low | 248 Ų | 248 | 125.2 Ų | 125.2 | 94% | 0.936 | 71% | 0.707 | S | S | * | * | trans | -80.5 | 98.5 | -173.4 | -145.8 | 175 | -178.7 | 167.9 | -1.2 | 111.9 | C839 S843 | C839-R841 PolarHBondContact O-N 2.73Å; R841-S843 PolarHBondContact O-N 3.19Å | ||
| 842 | A | 31.8 | Very low | 44.9 | Very low | 85.5 Ų | 85.5 | 124.5 Ų | 124.5 | 71% | 0.707 | 70% | 0.7 | S | S | * | * | trans | -77.5 | 140.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S840 N844 | S840-A842 PolarHBondContact O-N 2.88Å; A842-N844 PolarHBondContact O-N 3.29Å; A842-N844 VanDerWaalsContact O-N 3.13Å | ||
| 843 | S | 30.2 | Very low | 47.8 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 77% | 0.769 | 67% | 0.667 | S | S | * | * | trans | -89.4 | 101.3 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | R841 N845 | R841-S843 PolarHBondContact O-N 3.19Å; S843-N845 PolarHBondContact O-N 2.9Å | ||
| 844 | N | 32 | Very low | 50.8 | Low | 152 Ų | 152 | 115.6 Ų | 115.6 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | trans | -82.8 | 93.8 | 172.7 | -77.8 | -5.4 | 0 | 0 | 0 | 111 | A842 P846 | A842-N844 PolarHBondContact O-N 3.29Å; A842-N844 VanDerWaalsContact O-N 3.13Å; N844-P846 WeakPolarHBondContact O-CD 3.44Å | ||
| 845 | N | 30.2 | Very low | 53.6 | Low | 137 Ų | 137 | 104.6 Ų | 104.6 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | trans | -76.9 | 122.7 | 155.3 | -88.1 | -27.9 | 0 | 0 | 0 | 108.1 | S843 T847 | S843-N845 PolarHBondContact O-N 2.9Å; N845-T847 PolarHBondContact O-N 3.12Å; N845-T847 VanDerWaalsContact O-N 3.14Å | ||
| 846 | P | 44 | Very low | 56.2 | Low | 89.5 Ų | 89.5 | 102.2 Ų | 102.2 | 58% | 0.581 | 59% | 0.587 | S | S | * | * | trans | -66.4 | 114.2 | 172.4 | 27 | -32.3 | 0 | 0 | 0 | 109.3 | N844 F848 | N844-P846 WeakPolarHBondContact O-CD 3.44Å; P846-F848 VanDerWaalsContact C-N 3.26Å; P846-F848 HydrophobicContact CB-CE1 4.49Å; P846-F848 HydrophobicContact CB-CE2 4.42Å; P846-F848 HydrophobicContact CB-CZ 4.36Å; P846-F848 HydrophobicContact CG-CD2 4.46Å; P846-F848 HydrophobicContact CG-CE1 4.38Å; P846-F848 HydrophobicContact CG-CE2 3.93Å; P846-F848 HydrophobicContact CG-CZ 3.97Å; P846-F848 VanDerWaalsContact O-CD2 3.27Å; P846-F848 WeakPolarHBondContact O-CD2 3.4Å; P846-F848 PolarHBondContact O-N 2.97Å | ||
| 847 | T | 47.2 | Very low | 59.1 | Low | 134 Ų | 134 | 99 Ų | 99 | 82% | 0.822 | 57% | 0.57 | S | S | * | * | trans | -73.7 | 85.4 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | N845 L849 | N845-T847 PolarHBondContact O-N 3.12Å; N845-T847 VanDerWaalsContact O-N 3.14Å; T847-L849 PolarHBondContact O-N 2.96Å | ||
| 848 | F | 62.5 | Low | 61.8 | Low | 119.75 Ų | 119.75 | 90.9 Ų | 90.9 | 53% | 0.525 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 131.5 | 172.4 | -63.6 | -75.5 | 0 | 0 | 0 | 110.7 | R657 P846 | R657-F848 HydrophobicContact CG-CB 3.84Å; R657-F848 HydrophobicContact CG-CD1 4Å; R657-F848 HydrophobicContact CG-CG 4.11Å; P846-F848 VanDerWaalsContact C-N 3.26Å; P846-F848 HydrophobicContact CB-CE1 4.49Å; P846-F848 HydrophobicContact CB-CE2 4.42Å; P846-F848 HydrophobicContact CB-CZ 4.36Å; P846-F848 HydrophobicContact CG-CD2 4.46Å; P846-F848 HydrophobicContact CG-CE1 4.38Å; P846-F848 HydrophobicContact CG-CE2 3.93Å; P846-F848 HydrophobicContact CG-CZ 3.97Å; P846-F848 VanDerWaalsContact O-CD2 3.27Å; P846-F848 WeakPolarHBondContact O-CD2 3.4Å; P846-F848 PolarHBondContact O-N 2.97Å |
| 849 | L | 82.6 | Confident | 64.5 | Low | 85.25 Ų | 85.25 | 88.5 Ų | 88.5 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.8 | -178 | -156.3 | 157.7 | 0 | 0 | 0 | 108.5 | V658 V660 T847 E851 | V658-L849 HydrophobicContact CB-CD2 4.36Å; V658-L849 WeakPolarHBondContact CB-O 3.32Å; V658-L849 HydrophobicContact CG2-CD2 4.06Å; V658-L849 WeakPolarHBondContact CG2-O 3.27Å; V658-L849 PolarHBondContact N-O 3.06Å; V660-L849 HydrophobicContact CG2-CB 4.01Å; V660-L849 HydrophobicContact CG2-CD1 4.38Å; T847-L849 PolarHBondContact O-N 2.96Å; L849-E851 HydrophobicContact CD2-CG 3.78Å; L849-E851 WeakPolarHBondContact CD2-OE1 3.28Å |
| 850 | E | 89.5 | Confident | 67.2 | Low | 87.25 Ų | 87.25 | 82.3 Ų | 82.3 | 41% | 0.408 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134 | 178 | -62.7 | -168.4 | 173 | 0 | 0 | 110.7 | L644 R655 F656 R657 | L644-E850 VanDerWaalsContact CD1-CD 3.42Å; L644-E850 HydrophobicContact CD1-CG 3.95Å; L644-E850 VanDerWaalsContact CD1-OE1 3.27Å; L644-E850 WeakPolarHBondContact CD1-OE1 3.31Å; R655-E850 IonicContact CZ-OE2 3.1Å; R655-E850 IonicContact NE-OE2 3.82Å; R655-E850 IonicContact NH1-OE1 2.7Å; R655-E850 IonicContact NH1-OE2 3.06Å; R655-E850 PolarHBondContact NH1-OE2 2.76Å; R655-E850 IonicContact NH2-OE1 3.35Å; R655-E850 IonicContact NH2-OE2 4Å; R655-E850 PolarHBondContact NH2-OE2 3.1Å; F656-E850 CarbonylContact O-C 3.58Å; F656-E850 VanDerWaalsContact O-CA 3.32Å; F656-E850 WeakPolarHBondContact O-CA 3.27Å; R657-E850 IonicContact NH2-OE1 2.79Å |
| 851 | E | 90.3 | Very high | 69.4 | Low | 43 Ų | 43 | 78.1 Ų | 78.1 | 20% | 0.201 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.2 | 179.6 | -73.3 | -178.4 | -159 | 0 | 0 | 111.6 | K639 R655 F656 V658 L849 W853 | K639-E851 IonicContact NZ-OE1 3.29Å; K639-E851 PolarHBondContact NZ-OE1 2.95Å; K639-E851 IonicContact NZ-OE2 2.88Å; K639-E851 PolarHBondContact NZ-OE2 2.74Å; R655-E851 CarbonylContact C-O 3.56Å; R655-E851 WeakPolarHBondContact CA-O 3.36Å; F656-E851 PolarHBondContact N-O 2.87Å; F656-E851 PolarHBondContact O-N 3.17Å; V658-E851 HydrophobicContact CG2-CB 4Å; V658-E851 HydrophobicContact CG2-CG 3.92Å; L849-E851 HydrophobicContact CD2-CG 3.78Å; L849-E851 WeakPolarHBondContact CD2-OE1 3.28Å; E851-W853 PolarHBondContact OE2-NE1 3.16Å |
| 852 | D | 92.4 | Very high | 71.4 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.2 | 169.9 | -71.1 | -48.5 | 0 | 0 | 0 | 110.1 | I653 R655 S1134 | I653-D852 HydrophobicContact CG2-CB 3.85Å; R655-D852 WeakPolarHBondContact CG-OD1 3.46Å; D852-S1134 WeakPolarHBondContact OD2-CB 3.49Å |
| 853 | W | 92.9 | Very high | 73.1 | Confident | 12.75 Ų | 12.75 | 67.9 Ų | 67.9 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.2 | 178.2 | -62 | -13.1 | 0 | 0 | 0 | 111.6 | T632 K639 I653 C654 F656 V658 E851 V858 | T632-W853 HydrophobicContact CG2-CD2 3.86Å; T632-W853 HydrophobicContact CG2-CE3 4.04Å; T632-W853 HydrophobicContact CG2-CG 4.46Å; T632-W853 HydrophobicContact CG2-CH2 4.05Å; T632-W853 HydrophobicContact CG2-CZ2 3.88Å; T632-W853 HydrophobicContact CG2-CZ3 4.14Å; K639-W853 HydrophobicContact CB-CH2 3.82Å; K639-W853 HydrophobicContact CB-CZ2 3.65Å; K639-W853 HydrophobicContact CD-CZ2 3.96Å; K639-W853 HydrophobicContact CG-CZ2 4.48Å; I653-W853 WeakPolarHBondContact CA-O 3.38Å; C654-W853 PolarHBondContact N-O 3.26Å; C654-W853 PolarHBondContact O-N 3.34Å; F656-W853 HydrophobicContact CB-CD2 3.97Å; F656-W853 HydrophobicContact CB-CE3 3.75Å; F656-W853 HydrophobicContact CB-CH2 4.39Å; F656-W853 HydrophobicContact CB-CZ3 3.97Å; F656-W853 AromaticContact CD1-CE3 3.59Å; F656-W853 HydrophobicContact CD1-CE3 3.59Å; F656-W853 AromaticContact CD1-CZ3 3.71Å; F656-W853 HydrophobicContact CD1-CZ3 3.71Å; F656-W853 HydrophobicContact CD2-CB 3.71Å; F656-W853 AromaticContact CD2-CD2 3.84Å; F656-W853 HydrophobicContact CD2-CD2 3.84Å; F656-W853 AromaticContact CD2-CE3 3.54Å; F656-W853 HydrophobicContact CD2-CE3 3.54Å; F656-W853 AromaticContact CD2-CG 3.94Å; F656-W853 HydrophobicContact CD2-CG 3.94Å; F656-W853 HydrophobicContact CD2-CZ3 4.43Å; F656-W853 HydrophobicContact CE1-CE3 4.02Å; F656-W853 HydrophobicContact CE1-CZ3 4.3Å; F656-W853 HydrophobicContact CE2-CB 3.87Å; F656-W853 HydrophobicContact CE2-CD2 4.49Å; F656-W853 AromaticContact CE2-CE3 3.98Å; F656-W853 HydrophobicContact CE2-CE3 3.99Å; F656-W853 HydrophobicContact CE2-CG 4.5Å; F656-W853 AromaticContact CG-CD2 3.88Å; F656-W853 HydrophobicContact CG-CD2 3.88Å; F656-W853 AromaticContact CG-CE3 3.33Å; F656-W853 HydrophobicContact CG-CE3 3.33Å; F656-W853 HydrophobicContact CG-CG 4.44Å; F656-W853 AromaticContact CG-CZ3 3.79Å; F656-W853 HydrophobicContact CG-CZ3 3.79Å; F656-W853 HydrophobicContact CZ-CE3 4.21Å; V658-W853 HydrophobicContact CG1-CZ2 4.45Å; V658-W853 HydrophobicContact CG2-CH2 4.38Å; V658-W853 HydrophobicContact CG2-CZ2 3.69Å; E851-W853 PolarHBondContact OE2-NE1 3.16Å; W853-V858 HydrophobicContact CB-CG2 3.77Å; W853-V858 HydrophobicContact CD2-CG2 4.38Å; W853-V858 HydrophobicContact CE3-CG1 4.47Å; W853-V858 HydrophobicContact CE3-CG2 3.78Å; W853-V858 HydrophobicContact CG-CG2 4.43Å |
| 854 | C | 92.1 | Very high | 74.3 | Confident | 40.5 Ų | 40.5 | 63.2 Ų | 63.2 | 27% | 0.274 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.3 | 172.1 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | I653 S856 D857 | I653-C854 HydrophobicContact CG1-CB 4.23Å; C854-S856 PolarHBondContact O-N 3.07Å; C854-S856 VanDerWaalsContact O-N 3.11Å; C854-S856 PolarHBondContact SG-OG 3.07Å; C854-D857 PolarHBondContact O-N 2.98Å |
| 855 | L | 90.2 | Very high | 75.7 | Confident | 7.75 Ų | 7.75 | 64.8 Ų | 64.8 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.3 | -173.4 | -63.7 | -173.9 | 0 | 0 | 0 | 114.6 | A647 T650 D652 C654 F656 D857 V858 F860 | A647-L855 HydrophobicContact CB-CD1 3.4Å; A647-L855 VanDerWaalsContact CB-CD1 3.42Å; T650-L855 CarbonylContact O-C 3.53Å; D652-L855 HydrophobicContact CB-CD1 4.39Å; D652-L855 WeakPolarHBondContact O-CB 3.16Å; D652-L855 WeakPolarHBondContact O-CG 3.42Å; D652-L855 PolarHBondContact O-N 3.27Å; C654-L855 HydrophobicContact CB-CD2 4.24Å; C654-L855 HydrophobicContact CB-CG 4.43Å; F656-L855 HydrophobicContact CE2-CD2 3.61Å; F656-L855 HydrophobicContact CZ-CD2 3.58Å; L855-D857 PolarHBondContact O-N 2.95Å; L855-V858 HydrophobicContact CD2-CB 4.46Å; L855-V858 HydrophobicContact CD2-CG2 4.38Å; L855-V858 PolarHBondContact O-N 3.05Å; L855-F860 HydrophobicContact CD2-CE2 4.02Å; L855-F860 HydrophobicContact CD2-CZ 3.83Å |
| 856 | S | 88.6 | Confident | 77.3 | Confident | 43.5 Ų | 43.5 | 60 Ų | 60 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.6 | 170 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | S539 R542 T650 C854 | S539-S856 VanDerWaalsContact CB-O 3.29Å; S539-S856 WeakPolarHBondContact CB-O 3.29Å; R542-S856 PolarHBondContact NH2-O 3.13Å; T650-S856 WeakPolarHBondContact O-CA 3.33Å; T650-S856 PolarHBondContact O-N 3.05Å; T650-S856 VanDerWaalsContact O-N 3.1Å; C854-S856 PolarHBondContact O-N 3.07Å; C854-S856 VanDerWaalsContact O-N 3.11Å; C854-S856 PolarHBondContact SG-OG 3.07Å |
| 857 | D | 88.1 | Confident | 78.5 | Confident | 79.5 Ų | 79.5 | 56.6 Ų | 56.6 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -113.2 | 2.2 | -169.2 | -46.7 | -25.2 | 0 | 0 | 0 | 112.2 | T632 V634 C854 L855 | T632-D857 WeakPolarHBondContact CB-O 3.38Å; T632-D857 PolarHBondContact OG1-O 2.93Å; V634-D857 HydrophobicContact CG2-CB 3.49Å; V634-D857 VanDerWaalsContact CG2-CB 3.47Å; C854-D857 PolarHBondContact O-N 2.98Å; L855-D857 PolarHBondContact O-N 2.95Å |
| 858 | V | 89.8 | Confident | 79.9 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.3 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | R542 F631 F656 W853 L855 F860 | R542-V858 VanDerWaalsContact CZ-O 3.28Å; R542-V858 PolarHBondContact NH1-O 3.22Å; R542-V858 PolarHBondContact NH2-O 3.43Å; F631-V858 CarbonylContact O-C 3.51Å; F631-V858 WeakPolarHBondContact O-CA 3.37Å; F656-V858 HydrophobicContact CE1-CG1 3.98Å; F656-V858 HydrophobicContact CE2-CG2 4.07Å; F656-V858 HydrophobicContact CZ-CB 4.34Å; F656-V858 HydrophobicContact CZ-CG1 3.84Å; F656-V858 HydrophobicContact CZ-CG2 3.95Å; W853-V858 HydrophobicContact CB-CG2 3.77Å; W853-V858 HydrophobicContact CD2-CG2 4.38Å; W853-V858 HydrophobicContact CE3-CG1 4.47Å; W853-V858 HydrophobicContact CE3-CG2 3.78Å; W853-V858 HydrophobicContact CG-CG2 4.43Å; L855-V858 HydrophobicContact CD2-CB 4.46Å; L855-V858 HydrophobicContact CD2-CG2 4.38Å; L855-V858 PolarHBondContact O-N 3.05Å; V858-F860 HydrophobicContact CB-CE2 4.39Å; V858-F860 HydrophobicContact CG1-CD2 4.29Å; V858-F860 HydrophobicContact CG1-CE1 4.45Å; V858-F860 HydrophobicContact CG1-CE2 4.04Å; V858-F860 HydrophobicContact CG1-CZ 4.17Å |
| 859 | V | 88.2 | Confident | 80.8 | Confident | 19.25 Ų | 19.25 | 47.1 Ų | 47.1 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 109.6 | 171.2 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | L520 I536 G630 F631 | L520-V859 HydrophobicContact CD2-CG2 4.07Å; I536-V859 HydrophobicContact CD1-CG1 4.44Å; I536-V859 HydrophobicContact CG2-CG1 3.99Å; I536-V859 HydrophobicContact CG2-CG2 4Å; G630-V859 CarbonylContact C-O 3.49Å; G630-V859 WeakPolarHBondContact CA-O 3.29Å; F631-V859 HydrophobicContact CD1-CB 3.96Å; F631-V859 HydrophobicContact CD1-CG1 4.26Å; F631-V859 HydrophobicContact CD2-CB 4.36Å; F631-V859 HydrophobicContact CE1-CB 3.65Å; F631-V859 HydrophobicContact CE1-CG1 3.58Å; F631-V859 HydrophobicContact CE1-CG2 4.49Å; F631-V859 HydrophobicContact CE2-CB 4.08Å; F631-V859 HydrophobicContact CE2-CG2 4.16Å; F631-V859 HydrophobicContact CG-CB 4.32Å; F631-V859 HydrophobicContact CZ-CB 3.73Å; F631-V859 HydrophobicContact CZ-CG1 3.82Å; F631-V859 HydrophobicContact CZ-CG2 4.08Å; F631-V859 PolarHBondContact N-O 3.14Å; F631-V859 PolarHBondContact O-N 2.88Å |
| 860 | F | 86.7 | Confident | 81.1 | Confident | 6.25 Ų | 6.25 | 43 Ų | 43 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.5 | 176.2 | -73.4 | -84.1 | 0 | 0 | 0 | 111.3 | F624 A628 L643 F656 L855 V858 | F624-F860 HydrophobicContact CB-CD1 4.38Å; F624-F860 HydrophobicContact CB-CE1 4.09Å; F624-F860 HydrophobicContact CB-CE2 4.48Å; F624-F860 HydrophobicContact CB-CZ 4.13Å; F624-F860 HydrophobicContact CD1-CB 4.03Å; F624-F860 AromaticContact CD1-CD1 3.99Å; F624-F860 HydrophobicContact CD1-CD1 4.07Å; F624-F860 AromaticContact CD1-CD2 3.95Å; F624-F860 HydrophobicContact CD1-CD2 3.97Å; F624-F860 HydrophobicContact CD1-CE1 4.47Å; F624-F860 HydrophobicContact CD1-CE2 4.45Å; F624-F860 AromaticContact CD1-CG 3.74Å; F624-F860 HydrophobicContact CD1-CG 3.74Å; F624-F860 HydrophobicContact CD2-CD1 4.46Å; F624-F860 AromaticContact CD2-CD2 3.52Å; F624-F860 HydrophobicContact CD2-CD2 3.52Å; F624-F860 VanDerWaalsContact CD2-CD2 3.5Å; F624-F860 HydrophobicContact CD2-CE1 4.39Å; F624-F860 AromaticContact CD2-CE2 3.34Å; F624-F860 HydrophobicContact CD2-CE2 3.34Å; F624-F860 HydrophobicContact CD2-CG 4.11Å; F624-F860 AromaticContact CD2-CZ 3.81Å; F624-F860 HydrophobicContact CD2-CZ 3.81Å; F624-F860 HydrophobicContact CE1-CB 3.68Å; F624-F860 HydrophobicContact CE1-CD1 4.44Å; F624-F860 AromaticContact CE1-CD2 3.81Å; F624-F860 HydrophobicContact CE1-CD2 3.81Å; F624-F860 AromaticContact CE1-CG 3.75Å; F624-F860 HydrophobicContact CE1-CG 3.75Å; F624-F860 AromaticContact CE2-CD2 3.34Å; F624-F860 HydrophobicContact CE2-CD2 3.34Å; F624-F860 AromaticContact CE2-CE2 3.53Å; F624-F860 HydrophobicContact CE2-CE2 3.53Å; F624-F860 VanDerWaalsContact CE2-CE2 3.49Å; F624-F860 HydrophobicContact CE2-CG 4.12Å; F624-F860 HydrophobicContact CE2-CZ 4.42Å; F624-F860 AromaticContact CG-CD1 3.99Å; F624-F860 HydrophobicContact CG-CD1 4.08Å; F624-F860 AromaticContact CG-CD2 3.84Å; F624-F860 HydrophobicContact CG-CD2 3.84Å; F624-F860 HydrophobicContact CG-CE1 4.1Å; F624-F860 AromaticContact CG-CE2 3.86Å; F624-F860 HydrophobicContact CG-CE2 3.86Å; F624-F860 AromaticContact CG-CG 3.93Å; F624-F860 HydrophobicContact CG-CG 3.93Å; F624-F860 AromaticContact CG-CZ 3.97Å; F624-F860 HydrophobicContact CG-CZ 3.97Å; F624-F860 HydrophobicContact CZ-CB 4.07Å; F624-F860 AromaticContact CZ-CD2 3.49Å; F624-F860 HydrophobicContact CZ-CD2 3.49Å; F624-F860 VanDerWaalsContact CZ-CD2 3.47Å; F624-F860 HydrophobicContact CZ-CE2 4.17Å; F624-F860 AromaticContact CZ-CG 3.94Å; F624-F860 HydrophobicContact CZ-CG 3.94Å; A628-F860 HydrophobicContact CB-CD1 3.8Å; A628-F860 HydrophobicContact CB-CE1 3.72Å; L643-F860 HydrophobicContact CB-CE1 4.27Å; L643-F860 HydrophobicContact CD2-CE1 4Å; L643-F860 HydrophobicContact CD2-CZ 4.09Å; F656-F860 AromaticContact CE1-CE1 4Å; F656-F860 HydrophobicContact CE1-CE1 4.06Å; F656-F860 HydrophobicContact CE1-CZ 4.23Å; F656-F860 HydrophobicContact CZ-CE1 4.12Å; F656-F860 AromaticContact CZ-CZ 3.81Å; F656-F860 HydrophobicContact CZ-CZ 3.81Å; L855-F860 HydrophobicContact CD2-CE2 4.02Å; L855-F860 HydrophobicContact CD2-CZ 3.83Å; V858-F860 HydrophobicContact CB-CE2 4.39Å; V858-F860 HydrophobicContact CG1-CD2 4.29Å; V858-F860 HydrophobicContact CG1-CE1 4.45Å; V858-F860 HydrophobicContact CG1-CE2 4.04Å; V858-F860 HydrophobicContact CG1-CZ 4.17Å |
| 861 | V | 78.9 | Confident | 81 | Confident | 35.25 Ų | 35.25 | 39 Ų | 39 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -39 | -179.8 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | L482 Y486 L495 I629 F631 | L482-V861 HydrophobicContact CD1-CG1 4.37Å; L482-V861 HydrophobicContact CD2-CB 4.26Å; L482-V861 HydrophobicContact CD2-CG1 3.97Å; L482-V861 HydrophobicContact CD2-CG2 4.26Å; Y486-V861 HydrophobicContact CE2-CG1 3.77Å; Y486-V861 WeakPolarHBondContact OH-CG1 3.32Å; L495-V861 HydrophobicContact CD1-CB 4.23Å; L495-V861 HydrophobicContact CD1-CG1 3.92Å; L495-V861 HydrophobicContact CD1-CG2 3.88Å; L495-V861 HydrophobicContact CD2-CB 4.45Å; L495-V861 HydrophobicContact CD2-CG1 4.15Å; L495-V861 HydrophobicContact CG-CG1 4.32Å; I629-V861 PolarHBondContact O-N 3.04Å; F631-V861 HydrophobicContact CD1-CG2 3.81Å; F631-V861 HydrophobicContact CE1-CG2 4.17Å |
| 862 | E | 71.4 | Confident | 81.1 | Confident | 90.5 Ų | 90.5 | 37 Ų | 37 | 42% | 0.423 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.8 | -177.7 | -168.1 | 179.7 | 170.6 | 0 | 0 | 110.1 | A628 I629 G864 | A628-E862 CarbonylContact C-O 3.51Å; A628-E862 VanDerWaalsContact CA-O 3.26Å; A628-E862 WeakPolarHBondContact CA-O 3.32Å; A628-E862 VanDerWaalsContact CB-O 3.28Å; A628-E862 WeakPolarHBondContact CB-O 3.34Å; I629-E862 HydrophobicContact CB-CB 4.16Å; I629-E862 WeakPolarHBondContact CD1-OE2 3.21Å; I629-E862 HydrophobicContact CG1-CB 4.48Å; I629-E862 PolarHBondContact N-O 3.11Å; I629-E862 PolarHBondContact O-N 3.04Å; I629-E862 VanDerWaalsContact O-N 3.14Å; E862-G864 VanDerWaalsContact C-N 3.34Å; E862-G864 PolarHBondContact O-N 3.2Å; E862-G864 VanDerWaalsContact O-N 3.15Å |
| 863 | D | 66.5 | Low | 80.9 | Confident | 28.25 Ų | 28.25 | 34.1 Ų | 34.1 | 15% | 0.151 | 18% | 0.178 | C | C | . | . | trans | -85.1 | 105.2 | 173.4 | -176.3 | 29.9 | 0 | 0 | 0 | 108.8 | F624 H625 R865 R958 V959 | F624-D863 WeakPolarHBondContact CA-OD1 3.28Å; H625-D863 IonicContact CG-OD1 2.62Å; H625-D863 PolarHBondContact N-OD1 3.04Å; H625-D863 IonicContact ND1-OD1 3.79Å; H625-D863 PolarHBondContact ND1-OD1 3.39Å; H625-D863 IonicContact ND1-OD2 3.91Å; D863-R865 CarbonylContact O-C 3.58Å; D863-R865 PolarHBondContact O-N 2.94Å; D863-R958 HydrophobicContact CB-CB 4.19Å; D863-R958 IonicContact OD1-NH2 3.1Å; D863-R958 VanDerWaalsContact OD2-CB 3.22Å; D863-R958 WeakPolarHBondContact OD2-CB 3.2Å; D863-R958 VanDerWaalsContact OD2-CD 3.29Å; D863-R958 WeakPolarHBondContact OD2-CD 3.47Å; D863-R958 IonicContact OD2-CZ 3.34Å; D863-R958 IonicContact OD2-NE 3.74Å; D863-R958 PolarHBondContact OD2-NE 3.21Å; D863-R958 IonicContact OD2-NH2 3.73Å; D863-R958 PolarHBondContact OD2-NH2 3.47Å; D863-V959 HydrophobicContact CB-CG2 3.94Å; D863-V959 WeakPolarHBondContact OD1-CG2 3.32Å | ||
| 864 | G | 56.1 | Low | 80.7 | Confident | 11.75 Ų | 11.75 | 39 Ų | 39 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -64.1 | 41.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H625 G627 A628 E862 | H625-G864 WeakPolarHBondContact CB-O 3.44Å; G627-G864 VanDerWaalsContact C-CA 3.5Å; G627-G864 WeakPolarHBondContact O-CA 3.45Å; A628-G864 VanDerWaalsContact CA-N 3.32Å; E862-G864 VanDerWaalsContact C-N 3.34Å; E862-G864 PolarHBondContact O-N 3.2Å; E862-G864 VanDerWaalsContact O-N 3.15Å |
| 865 | R | 61.7 | Low | 80.6 | Confident | 185 Ų | 185 | 38.7 Ų | 38.7 | 70% | 0.698 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 138.7 | 118 | 171.5 | -64.5 | 159.3 | -178.9 | 179.7 | -2.5 | 110.2 | H625 A626 D863 Q867 R958 | H625-R865 HydrophobicContact CB-CB 4.32Å; H625-R865 PolarHBondContact CD2-O 2.83Å; A626-R865 PolarHBondContact O-NH1 2.98Å; D863-R865 CarbonylContact O-C 3.58Å; D863-R865 PolarHBondContact O-N 2.94Å; R865-Q867 PolarHBondContact O-N 3.14Å; R865-R958 PolarHBondContact O-NH2 3.13Å |
| 866 | T | 63.1 | Low | 80.6 | Confident | 35.75 Ų | 35.75 | 43.1 Ų | 43.1 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | trans | -56.7 | 136.4 | 171.3 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | E887 R890 L956 V957 | T866-E887 VanDerWaalsContact OG1-CD 3.24Å; T866-E887 PolarHBondContact OG1-OE1 2.74Å; T866-E887 PolarHBondContact OG1-OE2 2.71Å; T866-E887 VanDerWaalsContact OG1-OE2 3.13Å; T866-R890 PolarHBondContact O-NH1 3.22Å; T866-R890 PolarHBondContact O-NH2 3.07Å; T866-R890 VanDerWaalsContact O-NH2 3.07Å; T866-R890 PolarHBondContact OG1-NH1 2.96Å; T866-R890 PolarHBondContact OG1-NH2 3.09Å; T866-R890 VanDerWaalsContact OG1-NH2 3.16Å; T866-L956 HydrophobicContact CG2-CB 3.94Å; T866-L956 HydrophobicContact CG2-CD2 3.58Å; T866-L956 HydrophobicContact CG2-CG 4.37Å; T866-L956 WeakPolarHBondContact OG1-CD2 3.31Å; T866-V957 WeakPolarHBondContact CG2-O 3.45Å | ||
| 867 | Q | 69.4 | Low | 80.7 | Confident | 18.25 Ų | 18.25 | 44.2 Ų | 44.2 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | trans | -47.9 | 128.8 | -174.4 | -168.6 | -172.2 | 6.8 | 0 | 0 | 110.6 | C617 I618 A621 H625 R865 V869 R890 V957 R958 | C617-Q867 HydrophobicContact CB-CG 4.18Å; C617-Q867 VanDerWaalsContact SG-CD 3.55Å; C617-Q867 PolarHBondContact SG-NE2 3Å; C617-Q867 VanDerWaalsContact SG-NE2 3.38Å; C617-Q867 PolarHBondContact SG-OE1 2.9Å; C617-Q867 VanDerWaalsContact SG-OE1 3.41Å; I618-Q867 PolarHBondContact O-NE2 3.24Å; A621-Q867 HydrophobicContact CB-CG 4.15Å; A621-Q867 VanDerWaalsContact CB-NE2 3.32Å; H625-Q867 WeakPolarHBondContact NE2-CA 3.23Å; H625-Q867 WeakPolarHBondContact NE2-CB 3.41Å; R865-Q867 PolarHBondContact O-N 3.14Å; Q867-V869 WeakPolarHBondContact O-CG2 3.36Å; Q867-V869 PolarHBondContact O-N 2.93Å; Q867-R890 PolarHBondContact O-NH1 3.14Å; Q867-R890 VanDerWaalsContact O-NH1 3.07Å; Q867-V957 HydrophobicContact CB-CB 4.45Å; Q867-R958 VanDerWaalsContact CB-CZ 3.45Å; Q867-R958 VanDerWaalsContact CB-NH1 3.31Å; Q867-R958 VanDerWaalsContact N-NH2 3.19Å; Q867-R958 VanDerWaalsContact OE1-CZ 3.23Å | ||
| 868 | P | 76 | Confident | 80.8 | Confident | 48.75 Ų | 48.75 | 44.6 Ų | 44.6 | 32% | 0.317 | 24% | 0.241 | S | C | . | . | trans | -60.9 | 109.7 | -174.7 | 23.6 | -34.1 | 0 | 0 | 0 | 110.7 | F884 | P868-F884 HydrophobicContact CB-CB 4.34Å; P868-F884 HydrophobicContact CB-CD1 3.85Å; P868-F884 HydrophobicContact CB-CE1 4.43Å; P868-F884 HydrophobicContact CB-CG 4.37Å; P868-F884 HydrophobicContact CG-CD1 4.46Å; P868-F884 VanDerWaalsContact O-CD1 3.29Å; P868-F884 WeakPolarHBondContact O-CD1 3.37Å; P868-F884 VanDerWaalsContact O-CE1 3.28Å; P868-F884 WeakPolarHBondContact O-CE1 3.34Å | ||
| 869 | V | 82.5 | Confident | 80.8 | Confident | 4.75 Ų | 4.75 | 47.8 Ų | 47.8 | 3% | 0.029 | 26% | 0.257 | C | S | . | . | trans | -83.1 | 129.3 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | F615 Q867 L885 A954 | F615-V869 HydrophobicContact CB-CG1 4.13Å; F615-V869 HydrophobicContact CD1-CG1 4.14Å; Q867-V869 WeakPolarHBondContact O-CG2 3.36Å; Q867-V869 PolarHBondContact O-N 2.93Å; V869-L885 WeakPolarHBondContact O-CB 3.28Å; V869-L885 PolarHBondContact O-N 3.29Å; V869-A954 HydrophobicContact CG1-CB 4.42Å | ||
| 870 | G | 87.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 159.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F615 V616 K883 | F615-G870 CarbonylContact C-O 3.59Å; F615-G870 WeakPolarHBondContact CA-O 3.36Å; V616-G870 PolarHBondContact N-O 2.81Å; V616-G870 PolarHBondContact O-N 2.83Å; G870-K883 CarbonylContact C-O 3.57Å; G870-K883 WeakPolarHBondContact CA-O 3.34Å |
| 871 | I | 89 | Confident | 81.3 | Confident | 3.25 Ų | 3.25 | 47.5 Ų | 47.5 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.3 | 168.2 | -168.4 | 155.8 | 0 | 0 | 0 | 109.5 | G613 F615 L873 V882 K883 L885 I906 | G613-I871 VanDerWaalsContact O-CD1 3.28Å; G613-I871 WeakPolarHBondContact O-CD1 3.38Å; F615-I871 HydrophobicContact CD1-CB 4.38Å; F615-I871 HydrophobicContact CD1-CD1 3.92Å; F615-I871 HydrophobicContact CE1-CB 4.45Å; F615-I871 HydrophobicContact CE1-CD1 4.2Å; F615-I871 HydrophobicContact CG-CD1 4.41Å; F615-I871 HydrophobicContact CZ-CD1 4.03Å; I871-L873 HydrophobicContact CG2-CD2 4.01Å; I871-L873 PolarHBondContact O-N 2.86Å; I871-V882 WeakPolarHBondContact O-CA 3.38Å; I871-K883 HydrophobicContact CG2-CB 4.26Å; I871-K883 PolarHBondContact N-O 3.18Å; I871-K883 PolarHBondContact O-N 3.21Å; I871-L885 HydrophobicContact CG2-CD2 4.27Å; I871-I906 HydrophobicContact CD1-CB 4.24Å; I871-I906 HydrophobicContact CD1-CD1 3.93Å; I871-I906 HydrophobicContact CD1-CG1 3.65Å; I871-I906 HydrophobicContact CD1-CG2 4.04Å; I871-I906 HydrophobicContact CG1-CD1 4.37Å; I871-I906 HydrophobicContact CG1-CG1 4.01Å |
| 872 | V | 90.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 115.2 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 109 | I610 V611 P612 G613 S614 V616 K874 V875 A880 A881 V882 | I610-V872 HydrophobicContact CG2-CG1 4.39Å; I610-V872 HydrophobicContact CG2-CG2 3.59Å; V611-V872 WeakPolarHBondContact O-CB 3.37Å; V611-V872 WeakPolarHBondContact O-CG1 3.33Å; P612-V872 CarbonylContact C-O 3.54Å; P612-V872 WeakPolarHBondContact CA-O 3.43Å; G613-V872 PolarHBondContact N-O 3.09Å; S614-V872 WeakPolarHBondContact O-CG2 3.18Å; S614-V872 PolarHBondContact O-N 2.92Å; V616-V872 HydrophobicContact CB-CG2 4.39Å; V616-V872 HydrophobicContact CG1-CG2 3.72Å; V616-V872 HydrophobicContact CG2-CG2 3.71Å; V872-K874 WeakPolarHBondContact CG1-O 3.34Å; V872-V875 HydrophobicContact CG1-CG2 3.47Å; V872-V875 VanDerWaalsContact CG1-CG2 3.46Å; V872-A880 HydrophobicContact CG1-CB 4.31Å; V872-A881 CarbonylContact C-O 3.47Å; V872-A881 WeakPolarHBondContact CA-O 3.29Å; V872-V882 HydrophobicContact CG2-CG2 4.16Å |
| 873 | L | 88.4 | Confident | 82.8 | Confident | 41.5 Ų | 41.5 | 41.8 Ų | 41.8 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -39.7 | 175.9 | -55.8 | -176.1 | 0 | 0 | 0 | 111.5 | I871 A881 K883 L905 I909 C940 | I871-L873 HydrophobicContact CG2-CD2 4.01Å; I871-L873 PolarHBondContact O-N 2.86Å; L873-A881 PolarHBondContact N-O 3.01Å; L873-K883 HydrophobicContact CD1-CB 4.07Å; L873-K883 HydrophobicContact CD2-CB 4.47Å; L873-K883 HydrophobicContact CG-CB 4.36Å; L873-L905 HydrophobicContact CD2-CD2 4.25Å; L873-I909 HydrophobicContact CD2-CD1 3.62Å; L873-C940 HydrophobicContact CD1-CB 4.16Å |
| 874 | K | 88.9 | Confident | 83.8 | Confident | 116.5 Ų | 116.5 | 42.1 Ų | 42.1 | 51% | 0.507 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 151.2 | 177.7 | -166.8 | -172.2 | 176.7 | -158.7 | 0 | 110.2 | V872 D876 A880 A881 | V872-K874 WeakPolarHBondContact CG1-O 3.34Å; K874-D876 WeakPolarHBondContact CE-OD2 3.28Å; K874-D876 IonicContact NZ-OD2 3.09Å; K874-D876 PolarHBondContact NZ-OD2 2.78Å; K874-A880 CarbonylContact O-C 3.56Å; K874-A880 WeakPolarHBondContact O-CA 3.31Å; K874-A881 HydrophobicContact CB-CB 4.19Å; K874-A881 PolarHBondContact N-O 3.01Å; K874-A881 PolarHBondContact O-N 2.93Å |
| 875 | V | 90.5 | Very high | 85.2 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.2 | 164.4 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | I610 V872 I879 A880 K945 | I610-V875 HydrophobicContact CG2-CG2 4.41Å; V872-V875 HydrophobicContact CG1-CG2 3.47Å; V872-V875 VanDerWaalsContact CG1-CG2 3.46Å; V875-I879 WeakPolarHBondContact CA-O 3.28Å; V875-A880 HydrophobicContact CG2-CB 4.32Å; V875-K945 HydrophobicContact CG1-CD 4.44Å |
| 876 | D | 90.7 | Very high | 86.3 | Confident | 100.75 Ų | 100.75 | 38.2 Ų | 38.2 | 54% | 0.539 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 107.2 | -178.7 | -150.4 | -30 | 0 | 0 | 0 | 108.8 | K874 N878 I879 | K874-D876 WeakPolarHBondContact CE-OD2 3.28Å; K874-D876 IonicContact NZ-OD2 3.09Å; K874-D876 PolarHBondContact NZ-OD2 2.78Å; D876-N878 PolarHBondContact O-N 3.03Å; D876-N878 VanDerWaalsContact O-N 3.16Å; D876-I879 PolarHBondContact N-O 2.95Å; D876-I879 PolarHBondContact O-N 3.12Å; D876-I879 VanDerWaalsContact O-O 3.13Å |
| 877 | G | 89.8 | Confident | 86.8 | Confident | 65.75 Ų | 65.75 | 41.2 Ų | 41.2 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -117.7 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 878 | N | 90.1 | Very high | 87.2 | Confident | 88 Ų | 88 | 43.5 Ų | 43.5 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 6 | 175.3 | 72.3 | -39.1 | 0 | 0 | 0 | 113.9 | D876 R944 K945 | D876-N878 PolarHBondContact O-N 3.03Å; D876-N878 VanDerWaalsContact O-N 3.16Å; N878-R944 CarbonylContact O-C 3.56Å; N878-R944 VanDerWaalsContact O-CA 3.28Å; N878-R944 WeakPolarHBondContact O-CA 3.38Å; N878-K945 WeakPolarHBondContact O-CB 3.22Å; N878-K945 PolarHBondContact O-N 2.83Å |
| 879 | I | 91.3 | Very high | 87.5 | Confident | 71 Ų | 71 | 41.9 Ų | 41.9 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.2 | 178.7 | -59.9 | 176.9 | 0 | 0 | 0 | 109.7 | V875 D876 L942 L943 | V875-I879 WeakPolarHBondContact CA-O 3.28Å; D876-I879 PolarHBondContact N-O 2.95Å; D876-I879 PolarHBondContact O-N 3.12Å; D876-I879 VanDerWaalsContact O-O 3.13Å; I879-L942 HydrophobicContact CG2-CB 4.07Å; I879-L942 HydrophobicContact CG2-CD2 4.25Å; I879-L943 CarbonylContact C-O 3.54Å; I879-L943 WeakPolarHBondContact CA-O 3.28Å |
| 880 | A | 92.7 | Very high | 87.4 | Confident | 0.25 Ų | 0.25 | 42.8 Ų | 42.8 | 0% | 0.002 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V872 K874 V875 V882 L943 L948 | V872-A880 HydrophobicContact CG1-CB 4.31Å; K874-A880 CarbonylContact O-C 3.56Å; K874-A880 WeakPolarHBondContact O-CA 3.31Å; V875-A880 HydrophobicContact CG2-CB 4.32Å; A880-V882 HydrophobicContact CB-CG2 4.11Å; A880-L943 PolarHBondContact N-O 2.98Å; A880-L943 PolarHBondContact O-N 2.94Å; A880-L948 HydrophobicContact CB-CD1 3.81Å |
| 881 | A | 92.5 | Very high | 87 | Confident | 17.5 Ų | 17.5 | 45 Ų | 45 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V872 L873 K874 C940 L942 | V872-A881 CarbonylContact C-O 3.47Å; V872-A881 WeakPolarHBondContact CA-O 3.29Å; L873-A881 PolarHBondContact N-O 3.01Å; K874-A881 HydrophobicContact CB-CB 4.19Å; K874-A881 PolarHBondContact N-O 3.01Å; K874-A881 PolarHBondContact O-N 2.93Å; A881-C940 VanDerWaalsContact C-SG 3.58Å; A881-L942 HydrophobicContact CB-CD2 3.89Å |
| 882 | V | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120 | -172.2 | -177.6 | 0 | 0 | 0 | 0 | 110 | V616 I871 V872 A880 F884 C940 R941 L948 | V616-V882 HydrophobicContact CG2-CG1 3.73Å; V616-V882 HydrophobicContact CG2-CG2 4.01Å; I871-V882 WeakPolarHBondContact O-CA 3.38Å; V872-V882 HydrophobicContact CG2-CG2 4.16Å; A880-V882 HydrophobicContact CB-CG2 4.11Å; V882-F884 HydrophobicContact CB-CE2 4.42Å; V882-F884 HydrophobicContact CG1-CD2 4.39Å; V882-F884 HydrophobicContact CG1-CE1 4.32Å; V882-F884 HydrophobicContact CG1-CE2 4.04Å; V882-F884 HydrophobicContact CG1-CZ 4.01Å; V882-C940 VanDerWaalsContact C-SG 3.58Å; V882-C940 PolarHBondContact N-SG 2.96Å; V882-C940 VanDerWaalsContact N-SG 3.36Å; V882-R941 PolarHBondContact N-O 3.17Å; V882-R941 PolarHBondContact O-N 2.94Å; V882-L948 HydrophobicContact CG2-CD1 3.87Å; V882-L948 HydrophobicContact CG2-CD2 4.5Å |
| 883 | K | 89.5 | Confident | 86.3 | Confident | 6.5 Ų | 6.5 | 45.6 Ų | 45.6 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.7 | 163.8 | 171.1 | 171.4 | 170.4 | 165.8 | 0 | 108.5 | G870 I871 L873 E889 W936 D939 | G870-K883 CarbonylContact C-O 3.57Å; G870-K883 WeakPolarHBondContact CA-O 3.34Å; I871-K883 HydrophobicContact CG2-CB 4.26Å; I871-K883 PolarHBondContact N-O 3.18Å; I871-K883 PolarHBondContact O-N 3.21Å; L873-K883 HydrophobicContact CD1-CB 4.07Å; L873-K883 HydrophobicContact CD2-CB 4.47Å; L873-K883 HydrophobicContact CG-CB 4.36Å; K883-E889 VanDerWaalsContact CE-OE1 3.22Å; K883-E889 WeakPolarHBondContact CE-OE1 3.34Å; K883-E889 WeakPolarHBondContact CE-OE2 3.31Å; K883-E889 IonicContact NZ-OE1 3.11Å; K883-E889 PolarHBondContact NZ-OE1 3.16Å; K883-E889 IonicContact NZ-OE2 3.31Å; K883-W936 HydrophobicContact CD-CE3 3.5Å; K883-W936 VanDerWaalsContact CD-CE3 3.48Å; K883-W936 HydrophobicContact CD-CZ3 3.63Å; K883-W936 VanDerWaalsContact NZ-CZ3 3.33Å; K883-D939 HydrophobicContact CD-CB 3.98Å; K883-D939 VanDerWaalsContact CE-OD2 3.3Å; K883-D939 WeakPolarHBondContact CE-OD2 3.42Å; K883-D939 HydrophobicContact CG-CB 4.3Å; K883-D939 IonicContact NZ-OD2 3.25Å; K883-D939 PolarHBondContact NZ-OD2 3.03Å |
| 884 | F | 87.9 | Confident | 85.9 | Confident | 34.75 Ų | 34.75 | 46.9 Ų | 46.9 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.7 | 171.4 | -72.2 | -80.5 | 0 | 0 | 0 | 110.7 | I618 P868 V882 R941 L943 | I618-F884 HydrophobicContact CD1-CZ 4.06Å; I618-F884 HydrophobicContact CG1-CE1 4.29Å; I618-F884 HydrophobicContact CG1-CZ 3.88Å; P868-F884 HydrophobicContact CB-CB 4.34Å; P868-F884 HydrophobicContact CB-CD1 3.85Å; P868-F884 HydrophobicContact CB-CE1 4.43Å; P868-F884 HydrophobicContact CB-CG 4.37Å; P868-F884 HydrophobicContact CG-CD1 4.46Å; P868-F884 VanDerWaalsContact O-CD1 3.29Å; P868-F884 WeakPolarHBondContact O-CD1 3.37Å; P868-F884 VanDerWaalsContact O-CE1 3.28Å; P868-F884 WeakPolarHBondContact O-CE1 3.34Å; V882-F884 HydrophobicContact CB-CE2 4.42Å; V882-F884 HydrophobicContact CG1-CD2 4.39Å; V882-F884 HydrophobicContact CG1-CE1 4.32Å; V882-F884 HydrophobicContact CG1-CE2 4.04Å; V882-F884 HydrophobicContact CG1-CZ 4.01Å; F884-R941 HydrophobicContact CD2-CB 4.5Å; F884-R941 HydrophobicContact CD2-CG 4.43Å; F884-R941 HydrophobicContact CE2-CB 4.26Å; F884-R941 HydrophobicContact CE2-CG 4.47Å; F884-L943 HydrophobicContact CE2-CD1 3.71Å; F884-L943 HydrophobicContact CZ-CD1 3.6Å |
| 885 | L | 85.8 | Confident | 85.4 | Confident | 5.25 Ų | 5.25 | 42.2 Ų | 42.2 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 128.6 | -175 | -59.8 | -178.4 | 0 | 0 | 0 | 111 | F615 V869 I871 E889 R890 V893 V902 A954 | F615-L885 HydrophobicContact CE1-CD1 4.21Å; V869-L885 WeakPolarHBondContact O-CB 3.28Å; V869-L885 PolarHBondContact O-N 3.29Å; I871-L885 HydrophobicContact CG2-CD2 4.27Å; L885-E889 WeakPolarHBondContact CA-OE2 3.37Å; L885-E889 HydrophobicContact CB-CB 4.16Å; L885-E889 HydrophobicContact CD2-CB 4.3Å; L885-R890 HydrophobicContact CB-CG 3.58Å; L885-R890 VanDerWaalsContact CB-CG 3.43Å; L885-R890 HydrophobicContact CD1-CG 4.35Å; L885-R890 HydrophobicContact CG-CG 4.41Å; L885-R890 PolarHBondContact O-NE 2.81Å; L885-R890 PolarHBondContact O-NH2 3.03Å; L885-R890 VanDerWaalsContact O-NH2 3.14Å; L885-V893 HydrophobicContact CD1-CG2 4.26Å; L885-V902 HydrophobicContact CD2-CG1 3.86Å; L885-V902 HydrophobicContact CD2-CG2 4.36Å; L885-A954 HydrophobicContact CD1-CB 4.23Å |
| 886 | K | 83.2 | Confident | 85 | Confident | 109.75 Ų | 109.75 | 46.7 Ų | 46.7 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 158.1 | 169.5 | -65.4 | 151.8 | -177.6 | 163.3 | 0 | 109.3 | Q888 E889 R890 D939 | K886-Q888 VanDerWaalsContact C-N 3.29Å; K886-Q888 PolarHBondContact O-N 3.04Å; K886-E889 HydrophobicContact CB-CB 4.44Å; K886-E889 HydrophobicContact CB-CG 4.08Å; K886-E889 WeakPolarHBondContact CB-OE2 3.39Å; K886-E889 PolarHBondContact N-OE2 3.05Å; K886-E889 CarbonylContact O-C 3.55Å; K886-E889 WeakPolarHBondContact O-CA 3.36Å; K886-E889 VanDerWaalsContact O-CB 3.28Å; K886-E889 WeakPolarHBondContact O-CB 3.31Å; K886-E889 PolarHBondContact O-N 3.13Å; K886-R890 PolarHBondContact O-N 3.05Å; K886-D939 VanDerWaalsContact NZ-CG 3.31Å; K886-D939 IonicContact NZ-OD1 3.01Å; K886-D939 PolarHBondContact NZ-OD1 3.07Å; K886-D939 VanDerWaalsContact NZ-OD1 3.1Å; K886-D939 IonicContact NZ-OD2 3.4Å; K886-D939 PolarHBondContact NZ-OD2 2.89Å |
| 887 | E | 74.5 | Confident | 84.7 | Confident | 98.5 Ų | 98.5 | 42 Ų | 42 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.2 | -44.5 | -170 | -151.5 | 61.5 | -133.5 | 0 | 0 | 113.2 | T866 E889 R890 S891 L956 | T866-E887 VanDerWaalsContact OG1-CD 3.24Å; T866-E887 PolarHBondContact OG1-OE1 2.74Å; T866-E887 PolarHBondContact OG1-OE2 2.71Å; T866-E887 VanDerWaalsContact OG1-OE2 3.13Å; E887-E889 VanDerWaalsContact C-N 3.28Å; E887-E889 PolarHBondContact O-N 3.07Å; E887-R890 VanDerWaalsContact CD-NH2 3.35Å; E887-R890 WeakPolarHBondContact O-CA 3.39Å; E887-R890 VanDerWaalsContact O-CB 3.31Å; E887-R890 WeakPolarHBondContact O-CB 3.43Å; E887-R890 PolarHBondContact O-N 3.05Å; E887-R890 VanDerWaalsContact O-N 3.07Å; E887-R890 IonicContact OE1-CZ 2.81Å; E887-R890 IonicContact OE1-NE 3.25Å; E887-R890 PolarHBondContact OE1-NE 2.94Å; E887-R890 IonicContact OE1-NH1 3.84Å; E887-R890 IonicContact OE1-NH2 2.88Å; E887-R890 PolarHBondContact OE1-NH2 2.84Å; E887-R890 IonicContact OE2-CZ 3.53Å; E887-R890 IonicContact OE2-NE 2.92Å; E887-R890 IonicContact OE2-NH1 2.77Å; E887-R890 PolarHBondContact OE2-NH1 3.15Å; E887-R890 IonicContact OE2-NH2 2.89Å; E887-R890 PolarHBondContact OE2-NH2 2.81Å; E887-S891 PolarHBondContact O-N 3.24Å; E887-S891 PolarHBondContact O-OG 3.04Å; E887-L956 WeakPolarHBondContact OE1-CD2 3.24Å |
| 888 | Q | 77.2 | Confident | 84.2 | Confident | 67.25 Ų | 67.25 | 42.6 Ų | 42.6 | 31% | 0.314 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.6 | -31.1 | 176.3 | -167.4 | 62.8 | 32.9 | 0 | 0 | 112.8 | I688 P692 Y693 K886 R890 S891 C892 | I688-Q888 HydrophobicContact CG2-CB 3.76Å; I688-Q888 HydrophobicContact CG2-CG 3.52Å; I688-Q888 WeakPolarHBondContact O-CG 3.19Å; I688-Q888 PolarHBondContact O-NE2 2.95Å; P692-Q888 HydrophobicContact CG-CG 4.1Å; Y693-Q888 HydrophobicContact CE2-CG 4.19Å; K886-Q888 VanDerWaalsContact C-N 3.29Å; K886-Q888 PolarHBondContact O-N 3.04Å; Q888-R890 VanDerWaalsContact C-N 3.33Å; Q888-S891 PolarHBondContact O-N 3.05Å; Q888-S891 PolarHBondContact OE1-OG 2.85Å; Q888-C892 WeakPolarHBondContact O-CB 3.3Å; Q888-C892 PolarHBondContact O-N 3.16Å; Q888-C892 VanDerWaalsContact O-N 3.12Å; Q888-C892 PolarHBondContact O-SG 3.29Å |
| 889 | E | 83.2 | Confident | 83.7 | Confident | 14.25 Ų | 14.25 | 44.5 Ų | 44.5 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -41.5 | 173.2 | -62.9 | 179.8 | 138.4 | 0 | 0 | 110.5 | K883 L885 K886 E887 S891 C892 V893 V902 | K883-E889 VanDerWaalsContact CE-OE1 3.22Å; K883-E889 WeakPolarHBondContact CE-OE1 3.34Å; K883-E889 WeakPolarHBondContact CE-OE2 3.31Å; K883-E889 IonicContact NZ-OE1 3.11Å; K883-E889 PolarHBondContact NZ-OE1 3.16Å; K883-E889 IonicContact NZ-OE2 3.31Å; L885-E889 WeakPolarHBondContact CA-OE2 3.37Å; L885-E889 HydrophobicContact CB-CB 4.16Å; L885-E889 HydrophobicContact CD2-CB 4.3Å; K886-E889 HydrophobicContact CB-CB 4.44Å; K886-E889 HydrophobicContact CB-CG 4.08Å; K886-E889 WeakPolarHBondContact CB-OE2 3.39Å; K886-E889 PolarHBondContact N-OE2 3.05Å; K886-E889 CarbonylContact O-C 3.55Å; K886-E889 WeakPolarHBondContact O-CA 3.36Å; K886-E889 VanDerWaalsContact O-CB 3.28Å; K886-E889 WeakPolarHBondContact O-CB 3.31Å; K886-E889 PolarHBondContact O-N 3.13Å; E887-E889 VanDerWaalsContact C-N 3.28Å; E887-E889 PolarHBondContact O-N 3.07Å; E889-S891 VanDerWaalsContact C-N 3.3Å; E889-S891 PolarHBondContact O-N 2.85Å; E889-C892 WeakPolarHBondContact O-CB 3.39Å; E889-C892 PolarHBondContact O-N 3.16Å; E889-V893 VanDerWaalsContact O-CG2 3.28Å; E889-V893 WeakPolarHBondContact O-CG2 3.24Å; E889-V893 PolarHBondContact O-N 2.97Å; E889-V893 VanDerWaalsContact O-N 3.09Å; E889-V902 HydrophobicContact CB-CB 4.44Å; E889-V902 HydrophobicContact CB-CG1 4.47Å; E889-V902 HydrophobicContact CB-CG2 3.91Å; E889-V902 HydrophobicContact CG-CG2 3.65Å; E889-V902 VanDerWaalsContact OE1-CG2 3.3Å; E889-V902 WeakPolarHBondContact OE1-CG2 3.38Å |
| 890 | R | 79.5 | Confident | 83.3 | Confident | 23.75 Ų | 23.75 | 41.2 Ų | 41.2 | 9% | 0.09 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.5 | -63.2 | -176.8 | -122.3 | -176.6 | 2.3 | 111.9 | T866 Q867 L885 K886 E887 Q888 C892 V893 A894 | T866-R890 PolarHBondContact O-NH1 3.22Å; T866-R890 PolarHBondContact O-NH2 3.07Å; T866-R890 VanDerWaalsContact O-NH2 3.07Å; T866-R890 PolarHBondContact OG1-NH1 2.96Å; T866-R890 PolarHBondContact OG1-NH2 3.09Å; T866-R890 VanDerWaalsContact OG1-NH2 3.16Å; Q867-R890 PolarHBondContact O-NH1 3.14Å; Q867-R890 VanDerWaalsContact O-NH1 3.07Å; L885-R890 HydrophobicContact CB-CG 3.58Å; L885-R890 VanDerWaalsContact CB-CG 3.43Å; L885-R890 HydrophobicContact CD1-CG 4.35Å; L885-R890 HydrophobicContact CG-CG 4.41Å; L885-R890 PolarHBondContact O-NE 2.81Å; L885-R890 PolarHBondContact O-NH2 3.03Å; L885-R890 VanDerWaalsContact O-NH2 3.14Å; K886-R890 PolarHBondContact O-N 3.05Å; E887-R890 VanDerWaalsContact CD-NH2 3.35Å; E887-R890 WeakPolarHBondContact O-CA 3.39Å; E887-R890 VanDerWaalsContact O-CB 3.31Å; E887-R890 WeakPolarHBondContact O-CB 3.43Å; E887-R890 PolarHBondContact O-N 3.05Å; E887-R890 VanDerWaalsContact O-N 3.07Å; E887-R890 IonicContact OE1-CZ 2.81Å; E887-R890 IonicContact OE1-NE 3.25Å; E887-R890 PolarHBondContact OE1-NE 2.94Å; E887-R890 IonicContact OE1-NH1 3.84Å; E887-R890 IonicContact OE1-NH2 2.88Å; E887-R890 PolarHBondContact OE1-NH2 2.84Å; E887-R890 IonicContact OE2-CZ 3.53Å; E887-R890 IonicContact OE2-NE 2.92Å; E887-R890 IonicContact OE2-NH1 2.77Å; E887-R890 PolarHBondContact OE2-NH1 3.15Å; E887-R890 IonicContact OE2-NH2 2.89Å; E887-R890 PolarHBondContact OE2-NH2 2.81Å; Q888-R890 VanDerWaalsContact C-N 3.33Å; R890-C892 VanDerWaalsContact C-N 3.34Å; R890-C892 PolarHBondContact O-N 2.93Å; R890-V893 PolarHBondContact O-N 2.98Å; R890-A894 WeakPolarHBondContact O-CB 3.33Å; R890-A894 PolarHBondContact O-N 3.08Å |
| 891 | S | 78.7 | Confident | 82.7 | Confident | 47.5 Ų | 47.5 | 43.7 Ų | 43.7 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | E887 Q888 E889 V893 A894 A895 | E887-S891 PolarHBondContact O-N 3.24Å; E887-S891 PolarHBondContact O-OG 3.04Å; Q888-S891 PolarHBondContact O-N 3.05Å; Q888-S891 PolarHBondContact OE1-OG 2.85Å; E889-S891 VanDerWaalsContact C-N 3.3Å; E889-S891 PolarHBondContact O-N 2.85Å; S891-V893 VanDerWaalsContact C-N 3.33Å; S891-V893 PolarHBondContact O-N 2.89Å; S891-A894 PolarHBondContact O-N 3.21Å; S891-A895 WeakPolarHBondContact O-CB 3.39Å; S891-A895 PolarHBondContact O-N 3.14Å; S891-A895 VanDerWaalsContact O-N 3.11Å |
| 892 | C | 83.3 | Confident | 82.2 | Confident | 0.25 Ų | 0.25 | 43 Ų | 43 | 0% | 0.002 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 175.5 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | H687 Q888 E889 R890 A895 N896 C897 S900 C903 | H687-C892 WeakPolarHBondContact NE2-CA 3.21Å; H687-C892 PolarHBondContact NE2-N 3.42Å; Q888-C892 WeakPolarHBondContact O-CB 3.3Å; Q888-C892 PolarHBondContact O-N 3.16Å; Q888-C892 VanDerWaalsContact O-N 3.12Å; Q888-C892 PolarHBondContact O-SG 3.29Å; E889-C892 WeakPolarHBondContact O-CB 3.39Å; E889-C892 PolarHBondContact O-N 3.16Å; R890-C892 VanDerWaalsContact C-N 3.34Å; R890-C892 PolarHBondContact O-N 2.93Å; C892-A895 CarbonylContact O-C 3.49Å; C892-A895 PolarHBondContact O-N 2.84Å; C892-N896 PolarHBondContact O-N 3.14Å; C892-N896 VanDerWaalsContact O-N 3.1Å; C892-C897 HydrophobicContact CB-CB 4.14Å; C892-C897 WeakPolarHBondContact O-CB 3.27Å; C892-C897 PolarHBondContact O-N 3.19Å; C892-S900 VanDerWaalsContact CB-OG 3.28Å; C892-S900 WeakPolarHBondContact CB-OG 3.35Å; C892-S900 PolarHBondContact SG-OG 2.71Å; C892-C903 VanDerWaalsContact C-SG 3.51Å; C892-C903 PolarHBondContact O-SG 2.97Å; C892-C903 VanDerWaalsContact O-SG 3.34Å |
| 893 | V | 82.9 | Confident | 81.8 | Confident | 14.5 Ų | 14.5 | 43.3 Ų | 43.3 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69 | -42.1 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | F615 L885 E889 R890 S891 A895 N896 V902 I906 A954 | F615-V893 HydrophobicContact CE1-CG1 3.88Å; F615-V893 HydrophobicContact CZ-CG1 3.57Å; L885-V893 HydrophobicContact CD1-CG2 4.26Å; E889-V893 VanDerWaalsContact O-CG2 3.28Å; E889-V893 WeakPolarHBondContact O-CG2 3.24Å; E889-V893 PolarHBondContact O-N 2.97Å; E889-V893 VanDerWaalsContact O-N 3.09Å; R890-V893 PolarHBondContact O-N 2.98Å; S891-V893 VanDerWaalsContact C-N 3.33Å; S891-V893 PolarHBondContact O-N 2.89Å; V893-A895 VanDerWaalsContact C-N 3.27Å; V893-A895 PolarHBondContact O-N 2.78Å; V893-N896 PolarHBondContact O-N 2.94Å; V893-N896 VanDerWaalsContact O-N 3.11Å; V893-N896 PolarHBondContact O-OD1 2.91Å; V893-V902 HydrophobicContact CG2-CB 4.49Å; V893-V902 HydrophobicContact CG2-CG1 3.49Å; V893-V902 VanDerWaalsContact CG2-CG1 3.46Å; V893-I906 HydrophobicContact CB-CD1 4.5Å; V893-I906 HydrophobicContact CG1-CD1 4.07Å; V893-I906 HydrophobicContact CG2-CD1 3.57Å; V893-A954 HydrophobicContact CB-CB 4.3Å; V893-A954 HydrophobicContact CG1-CB 3.9Å |
| 894 | A | 79.1 | Confident | 81.5 | Confident | 68.5 Ų | 68.5 | 46.2 Ų | 46.2 | 57% | 0.566 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.9 | -31.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L697 R890 S891 | L697-A894 HydrophobicContact CD1-CB 4.38Å; R890-A894 WeakPolarHBondContact O-CB 3.33Å; R890-A894 PolarHBondContact O-N 3.08Å; S891-A894 PolarHBondContact O-N 3.21Å |
| 895 | A | 79.6 | Confident | 81.1 | Confident | 18.5 Ų | 18.5 | 46.7 Ų | 46.7 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S684 H687 Y693 L697 S891 C892 V893 C897 | S684-A895 PolarHBondContact OG-O 2.89Å; H687-A895 HydrophobicContact CB-CB 3.63Å; Y693-A895 WeakPolarHBondContact O-CB 3.47Å; L697-A895 HydrophobicContact CD1-CB 3.87Å; S891-A895 WeakPolarHBondContact O-CB 3.39Å; S891-A895 PolarHBondContact O-N 3.14Å; S891-A895 VanDerWaalsContact O-N 3.11Å; C892-A895 CarbonylContact O-C 3.49Å; C892-A895 PolarHBondContact O-N 2.84Å; V893-A895 VanDerWaalsContact C-N 3.27Å; V893-A895 PolarHBondContact O-N 2.78Å; A895-C897 VanDerWaalsContact C-N 3.27Å; A895-C897 PolarHBondContact O-N 3.06Å; A895-C897 VanDerWaalsContact O-N 3.11Å |
| 896 | N | 80.7 | Confident | 80.8 | Confident | 128 Ų | 128 | 47 Ų | 47 | 68% | 0.684 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38 | -172.4 | -87.2 | -18 | 0 | 0 | 0 | 114 | C892 V893 P898 | C892-N896 PolarHBondContact O-N 3.14Å; C892-N896 VanDerWaalsContact O-N 3.1Å; V893-N896 PolarHBondContact O-N 2.94Å; V893-N896 VanDerWaalsContact O-N 3.11Å; V893-N896 PolarHBondContact O-OD1 2.91Å; N896-P898 VanDerWaalsContact O-CD 3.31Å; N896-P898 WeakPolarHBondContact O-CD 3.3Å; N896-P898 VanDerWaalsContact O-N 3.16Å |
| 897 | C | 84.4 | Confident | 80.6 | Confident | 1.5 Ų | 1.5 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -63 | 114.5 | -170.7 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | H687 C691 Y693 C892 A895 Y899 S900 C903 | H687-C897 VanDerWaalsContact CE1-CB 3.44Å; H687-C897 WeakPolarHBondContact CE1-CB 3.42Å; C691-C897 PolarHBondContact SG-SG 2.65Å; C691-C897 VanDerWaalsContact SG-SG 3.64Å; Y693-C897 HydrophobicContact CD2-CB 4.33Å; Y693-C897 HydrophobicContact CG-CB 4.29Å; C892-C897 HydrophobicContact CB-CB 4.14Å; C892-C897 WeakPolarHBondContact O-CB 3.27Å; C892-C897 PolarHBondContact O-N 3.19Å; A895-C897 VanDerWaalsContact C-N 3.27Å; A895-C897 PolarHBondContact O-N 3.06Å; A895-C897 VanDerWaalsContact O-N 3.11Å; C897-Y899 PolarHBondContact O-N 3.12Å; C897-S900 WeakPolarHBondContact O-CB 3.23Å; C897-S900 PolarHBondContact O-N 3.28Å; C897-S900 VanDerWaalsContact O-N 3.12Å; C897-C903 WeakPolarHBondContact O-CB 3.3Å; C897-C903 PolarHBondContact O-SG 3.2Å; C897-C903 VanDerWaalsContact O-SG 3.39Å | ||
| 898 | P | 79.9 | Confident | 80.9 | Confident | 79.75 Ų | 79.75 | 44.3 Ų | 44.3 | 52% | 0.518 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.2 | -174.8 | 28.3 | -35.5 | 0 | 0 | 0 | 113.4 | N896 S900 V904 | N896-P898 VanDerWaalsContact O-CD 3.31Å; N896-P898 WeakPolarHBondContact O-CD 3.3Å; N896-P898 VanDerWaalsContact O-N 3.16Å; P898-S900 VanDerWaalsContact C-N 3.34Å; P898-V904 WeakPolarHBondContact O-CG2 3.5Å |
| 899 | Y | 79.8 | Confident | 80.8 | Confident | 128 Ų | 128 | 43.5 Ų | 43.5 | 50% | 0.502 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.9 | 178.9 | -50.5 | -68.8 | 0 | 0 | 0 | 113.4 | I688 Y693 A694 L697 C897 | I688-Y899 HydrophobicContact CG2-CE2 4.46Å; Y693-Y899 WeakPolarHBondContact CB-O 3.41Å; Y693-Y899 AromaticContact CE2-CD2 3.76Å; Y693-Y899 HydrophobicContact CE2-CD2 3.76Å; Y693-Y899 AromaticContact CE2-CE2 3.76Å; Y693-Y899 HydrophobicContact CE2-CE2 3.76Å; A694-Y899 HydrophobicContact CB-CD2 3.77Å; A694-Y899 HydrophobicContact CB-CE2 4.39Å; A694-Y899 HydrophobicContact CB-CG 4.25Å; L697-Y899 HydrophobicContact CD1-CD1 3.65Å; L697-Y899 HydrophobicContact CD1-CE1 4.36Å; L697-Y899 HydrophobicContact CD1-CG 4.34Å; C897-Y899 PolarHBondContact O-N 3.12Å |
| 900 | S | 83.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | trans | -81.1 | 126.2 | -178.2 | -177 | 0 | 0 | 0 | 0 | 111.5 | C892 C897 P898 V902 C903 V904 | C892-S900 VanDerWaalsContact CB-OG 3.28Å; C892-S900 WeakPolarHBondContact CB-OG 3.35Å; C892-S900 PolarHBondContact SG-OG 2.71Å; C897-S900 WeakPolarHBondContact O-CB 3.23Å; C897-S900 PolarHBondContact O-N 3.28Å; C897-S900 VanDerWaalsContact O-N 3.12Å; P898-S900 VanDerWaalsContact C-N 3.34Å; S900-V902 PolarHBondContact O-N 3.28Å; S900-V902 VanDerWaalsContact O-N 3.12Å; S900-C903 PolarHBondContact O-N 2.83Å; S900-V904 WeakPolarHBondContact O-CG2 3.33Å; S900-V904 PolarHBondContact O-N 3.13Å; S900-V904 VanDerWaalsContact O-N 3.08Å | ||
| 901 | P | 80.8 | Confident | 79.9 | Confident | 52.75 Ų | 52.75 | 48.7 Ų | 48.7 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.9 | -28.6 | 177.5 | -14.5 | 19.6 | 0 | 0 | 0 | 113.5 | Y693 L905 W936 | Y693-P901 HydrophobicContact CD1-CG 4.27Å; Y693-P901 HydrophobicContact CE1-CG 4.1Å; P901-L905 WeakPolarHBondContact O-CB 3.18Å; P901-L905 PolarHBondContact O-N 3Å; P901-W936 HydrophobicContact CB-CH2 4.41Å; P901-W936 HydrophobicContact CB-CZ2 4.21Å |
| 902 | V | 80.3 | Confident | 79 | Confident | 3.25 Ų | 3.25 | 50.2 Ų | 50.2 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.1 | -48.9 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L885 E889 V893 S900 V904 L905 I906 W936 | L885-V902 HydrophobicContact CD2-CG1 3.86Å; L885-V902 HydrophobicContact CD2-CG2 4.36Å; E889-V902 HydrophobicContact CB-CB 4.44Å; E889-V902 HydrophobicContact CB-CG1 4.47Å; E889-V902 HydrophobicContact CB-CG2 3.91Å; E889-V902 HydrophobicContact CG-CG2 3.65Å; E889-V902 VanDerWaalsContact OE1-CG2 3.3Å; E889-V902 WeakPolarHBondContact OE1-CG2 3.38Å; V893-V902 HydrophobicContact CG2-CB 4.49Å; V893-V902 HydrophobicContact CG2-CG1 3.49Å; V893-V902 VanDerWaalsContact CG2-CG1 3.46Å; S900-V902 PolarHBondContact O-N 3.28Å; S900-V902 VanDerWaalsContact O-N 3.12Å; V902-V904 VanDerWaalsContact C-N 3.29Å; V902-V904 PolarHBondContact O-N 3.06Å; V902-L905 CarbonylContact O-C 3.57Å; V902-L905 WeakPolarHBondContact O-CA 3.14Å; V902-L905 WeakPolarHBondContact O-CB 3.49Å; V902-L905 PolarHBondContact O-N 3.05Å; V902-L905 VanDerWaalsContact O-N 3.11Å; V902-I906 HydrophobicContact CG1-CD1 3.72Å; V902-I906 HydrophobicContact CG1-CG1 4.2Å; V902-I906 WeakPolarHBondContact O-CB 3.29Å; V902-I906 VanDerWaalsContact O-CG1 3.25Å; V902-I906 WeakPolarHBondContact O-CG1 3.29Å; V902-I906 PolarHBondContact O-N 3.05Å; V902-W936 HydrophobicContact CB-CH2 4.39Å; V902-W936 HydrophobicContact CG2-CH2 3.67Å; V902-W936 HydrophobicContact CG2-CZ3 4.02Å |
| 903 | C | 83.6 | Confident | 77.2 | Confident | 5.75 Ų | 5.75 | 55.6 Ų | 55.6 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | -179.4 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | C892 C897 S900 I906 N907 | C892-C903 VanDerWaalsContact C-SG 3.51Å; C892-C903 PolarHBondContact O-SG 2.97Å; C892-C903 VanDerWaalsContact O-SG 3.34Å; C897-C903 WeakPolarHBondContact O-CB 3.3Å; C897-C903 PolarHBondContact O-SG 3.2Å; C897-C903 VanDerWaalsContact O-SG 3.39Å; S900-C903 PolarHBondContact O-N 2.83Å; C903-I906 PolarHBondContact O-N 3.15Å; C903-N907 WeakPolarHBondContact O-CB 3.39Å; C903-N907 VanDerWaalsContact O-CG 3.23Å; C903-N907 PolarHBondContact O-N 3.04Å; C903-N907 PolarHBondContact O-ND2 2.94Å |
| 904 | V | 83.2 | Confident | 75.4 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | P898 S900 V902 N907 S908 L928 | P898-V904 WeakPolarHBondContact O-CG2 3.5Å; S900-V904 WeakPolarHBondContact O-CG2 3.33Å; S900-V904 PolarHBondContact O-N 3.13Å; S900-V904 VanDerWaalsContact O-N 3.08Å; V902-V904 VanDerWaalsContact C-N 3.29Å; V902-V904 PolarHBondContact O-N 3.06Å; V904-N907 PolarHBondContact O-N 3.04Å; V904-S908 WeakPolarHBondContact O-CB 3.35Å; V904-S908 PolarHBondContact O-N 3.07Å; V904-S908 VanDerWaalsContact O-N 3.08Å; V904-L928 HydrophobicContact CG1-CD2 4.24Å |
| 905 | L | 79.8 | Confident | 73.3 | Confident | 45.25 Ų | 45.25 | 61.1 Ų | 61.1 | 24% | 0.237 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.6 | -179.4 | 65.1 | 0 | 0 | 0 | 112.3 | L873 P901 V902 S908 I909 W936 | L873-L905 HydrophobicContact CD2-CD2 4.25Å; P901-L905 WeakPolarHBondContact O-CB 3.18Å; P901-L905 PolarHBondContact O-N 3Å; V902-L905 CarbonylContact O-C 3.57Å; V902-L905 WeakPolarHBondContact O-CA 3.14Å; V902-L905 WeakPolarHBondContact O-CB 3.49Å; V902-L905 PolarHBondContact O-N 3.05Å; V902-L905 VanDerWaalsContact O-N 3.11Å; L905-S908 WeakPolarHBondContact O-CB 3.31Å; L905-S908 PolarHBondContact O-N 3Å; L905-I909 HydrophobicContact CD1-CD1 4Å; L905-I909 HydrophobicContact CD1-CG1 4.18Å; L905-I909 HydrophobicContact CD2-CD1 4.26Å; L905-I909 HydrophobicContact CG-CD1 3.76Å; L905-I909 HydrophobicContact CG-CG1 4.33Å; L905-I909 VanDerWaalsContact O-CG1 3.3Å; L905-I909 WeakPolarHBondContact O-CG1 3.43Å; L905-I909 PolarHBondContact O-N 3.17Å; L905-W936 HydrophobicContact CB-CH2 4.36Å; L905-W936 HydrophobicContact CB-CZ2 4.46Å; L905-W936 HydrophobicContact CD2-CD2 3.67Å; L905-W936 HydrophobicContact CD2-CE3 3.29Å; L905-W936 HydrophobicContact CD2-CG 4.33Å; L905-W936 HydrophobicContact CD2-CH2 3.86Å; L905-W936 HydrophobicContact CD2-CZ2 4.19Å; L905-W936 HydrophobicContact CD2-CZ3 3.39Å; L905-W936 VanDerWaalsContact CD2-CZ3 3.44Å |
| 906 | I | 79 | Confident | 71.3 | Confident | 11.5 Ų | 11.5 | 68 Ų | 68 | 6% | 0.059 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 178.9 | -68 | -179.1 | 0 | 0 | 0 | 110.6 | F615 I871 V893 V902 C903 S908 I909 L910 | F615-I906 HydrophobicContact CE1-CD1 3.9Å; F615-I906 HydrophobicContact CZ-CD1 3.89Å; F615-I906 HydrophobicContact CZ-CG2 4.46Å; I871-I906 HydrophobicContact CD1-CB 4.24Å; I871-I906 HydrophobicContact CD1-CD1 3.93Å; I871-I906 HydrophobicContact CD1-CG1 3.65Å; I871-I906 HydrophobicContact CD1-CG2 4.04Å; I871-I906 HydrophobicContact CG1-CD1 4.37Å; I871-I906 HydrophobicContact CG1-CG1 4.01Å; V893-I906 HydrophobicContact CB-CD1 4.5Å; V893-I906 HydrophobicContact CG1-CD1 4.07Å; V893-I906 HydrophobicContact CG2-CD1 3.57Å; V902-I906 HydrophobicContact CG1-CD1 3.72Å; V902-I906 HydrophobicContact CG1-CG1 4.2Å; V902-I906 WeakPolarHBondContact O-CB 3.29Å; V902-I906 VanDerWaalsContact O-CG1 3.25Å; V902-I906 WeakPolarHBondContact O-CG1 3.29Å; V902-I906 PolarHBondContact O-N 3.05Å; C903-I906 PolarHBondContact O-N 3.15Å; I906-S908 VanDerWaalsContact C-N 3.29Å; I906-S908 PolarHBondContact O-N 3.06Å; I906-I909 PolarHBondContact O-N 3.06Å; I906-L910 HydrophobicContact CG2-CD1 3.67Å; I906-L910 HydrophobicContact CG2-CG 4.34Å; I906-L910 WeakPolarHBondContact O-CB 3.4Å; I906-L910 WeakPolarHBondContact O-CG 3.42Å; I906-L910 PolarHBondContact O-N 3.01Å |
| 907 | N | 80.6 | Confident | 69 | Low | 61.25 Ų | 61.25 | 68.2 Ų | 68.2 | 33% | 0.328 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 176.5 | -67.6 | -13.5 | 0 | 0 | 0 | 111.8 | C903 V904 G911 V912 | C903-N907 WeakPolarHBondContact O-CB 3.39Å; C903-N907 VanDerWaalsContact O-CG 3.23Å; C903-N907 PolarHBondContact O-N 3.04Å; C903-N907 PolarHBondContact O-ND2 2.94Å; V904-N907 PolarHBondContact O-N 3.04Å; N907-G911 CarbonylContact O-C 3.4Å; N907-G911 PolarHBondContact O-N 3.13Å; N907-G911 VanDerWaalsContact O-N 3.1Å; N907-V912 PolarHBondContact O-N 3.22Å |
| 908 | S | 79.8 | Confident | 66.5 | Low | 91.75 Ų | 91.75 | 72.7 Ų | 72.7 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | V904 L905 I906 L910 G911 | V904-S908 WeakPolarHBondContact O-CB 3.35Å; V904-S908 PolarHBondContact O-N 3.07Å; V904-S908 VanDerWaalsContact O-N 3.08Å; L905-S908 WeakPolarHBondContact O-CB 3.31Å; L905-S908 PolarHBondContact O-N 3Å; I906-S908 VanDerWaalsContact C-N 3.29Å; I906-S908 PolarHBondContact O-N 3.06Å; S908-L910 PolarHBondContact O-N 2.81Å; S908-G911 PolarHBondContact O-N 3.08Å |
| 909 | I | 75.8 | Confident | 64.1 | Low | 50 Ų | 50 | 75.1 Ų | 75.1 | 26% | 0.256 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 178 | -68.4 | 168.7 | 0 | 0 | 0 | 111.6 | P612 G613 L873 L905 I906 G911 | P612-I909 HydrophobicContact CB-CG2 4.05Å; G613-I909 VanDerWaalsContact N-CG2 3.31Å; L873-I909 HydrophobicContact CD2-CD1 3.62Å; L905-I909 HydrophobicContact CD1-CD1 4Å; L905-I909 HydrophobicContact CD1-CG1 4.18Å; L905-I909 HydrophobicContact CD2-CD1 4.26Å; L905-I909 HydrophobicContact CG-CD1 3.76Å; L905-I909 HydrophobicContact CG-CG1 4.33Å; L905-I909 VanDerWaalsContact O-CG1 3.3Å; L905-I909 WeakPolarHBondContact O-CG1 3.43Å; L905-I909 PolarHBondContact O-N 3.17Å; I906-I909 PolarHBondContact O-N 3.06Å; I909-G911 VanDerWaalsContact C-N 3.29Å; I909-G911 PolarHBondContact O-N 2.95Å |
| 910 | L | 74.8 | Confident | 62 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.8 | 178.4 | -67.7 | 174 | 0 | 0 | 0 | 113.5 | I906 S908 V912 | I906-L910 HydrophobicContact CG2-CD1 3.67Å; I906-L910 HydrophobicContact CG2-CG 4.34Å; I906-L910 WeakPolarHBondContact O-CB 3.4Å; I906-L910 WeakPolarHBondContact O-CG 3.42Å; I906-L910 PolarHBondContact O-N 3.01Å; S908-L910 PolarHBondContact O-N 2.81Å; L910-V912 HydrophobicContact CB-CG2 3.72Å; L910-V912 PolarHBondContact O-N 2.82Å |
| 911 | G | 68.4 | Low | 59.4 | Low | 57 Ų | 57 | 79.9 Ų | 79.9 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 14.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N907 S908 I909 S913 | N907-G911 CarbonylContact O-C 3.4Å; N907-G911 PolarHBondContact O-N 3.13Å; N907-G911 VanDerWaalsContact O-N 3.1Å; S908-G911 PolarHBondContact O-N 3.08Å; I909-G911 VanDerWaalsContact C-N 3.29Å; I909-G911 PolarHBondContact O-N 2.95Å; G911-S913 VanDerWaalsContact C-N 3.3Å; G911-S913 PolarHBondContact O-N 3.1Å |
| 912 | V | 60.6 | Low | 57 | Low | 80 Ų | 80 | 83.5 Ų | 83.5 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | trans | -82.2 | 78.4 | -173.7 | -164.1 | 0 | 0 | 0 | 0 | 110.1 | N907 L910 S914 | N907-V912 PolarHBondContact O-N 3.22Å; L910-V912 HydrophobicContact CB-CG2 3.72Å; L910-V912 PolarHBondContact O-N 2.82Å; V912-S914 PolarHBondContact O-N 2.99Å; V912-S914 VanDerWaalsContact O-N 3.07Å | ||
| 913 | S | 45.2 | Very low | 54.8 | Low | 113.5 Ų | 113.5 | 93 Ų | 93 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | trans | -70.6 | 95.4 | 169.3 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | G911 S915 | G911-S913 VanDerWaalsContact C-N 3.3Å; G911-S913 PolarHBondContact O-N 3.1Å; S913-S915 PolarHBondContact O-N 3.16Å | ||
| 914 | S | 45.2 | Very low | 52.4 | Low | 87.5 Ų | 87.5 | 97.7 Ų | 97.7 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | trans | -58.6 | 104.5 | -180 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | V912 L916 | V912-S914 PolarHBondContact O-N 2.99Å; V912-S914 VanDerWaalsContact O-N 3.07Å; S914-L916 PolarHBondContact O-N 3.01Å; S914-L916 VanDerWaalsContact O-N 3.14Å | ||
| 915 | S | 34.6 | Very low | 50 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | trans | -76.8 | 65.4 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | S913 T917 | S913-S915 PolarHBondContact O-N 3.16Å; S915-T917 PolarHBondContact O-N 3.11Å; S915-T917 VanDerWaalsContact O-N 3.09Å | ||
| 916 | L | 37.1 | Very low | 48.1 | Very low | 162.5 Ų | 162.5 | 108.5 Ų | 108.5 | 85% | 0.851 | 66% | 0.658 | S | S | * | * | trans | -93.8 | 87.8 | 166.8 | -80.3 | 164.6 | 0 | 0 | 0 | 108.9 | S914 A918 | S914-L916 PolarHBondContact O-N 3.01Å; S914-L916 VanDerWaalsContact O-N 3.14Å; L916-A918 PolarHBondContact O-N 2.92Å | ||
| 917 | T | 32.9 | Very low | 46 | Very low | 132.25 Ų | 132.25 | 113.1 Ų | 113.1 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | trans | -75.8 | 113.1 | -178.1 | 45.3 | 0 | 0 | 0 | 0 | 112 | S915 T919 | S915-T917 PolarHBondContact O-N 3.11Å; S915-T917 VanDerWaalsContact O-N 3.09Å; T917-T919 PolarHBondContact O-N 2.86Å | ||
| 918 | A | 30.9 | Very low | 44.1 | Very low | 97.25 Ų | 97.25 | 117.2 Ų | 117.2 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -16.3 | 117.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | L916 | L916-A918 PolarHBondContact O-N 2.92Š| ||
| 919 | T | 30.9 | Very low | 42.3 | Very low | 129.5 Ų | 129.5 | 119.1 Ų | 119.1 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -122 | 133.3 | 137.6 | 44.4 | 0 | 0 | 0 | 0 | 109.6 | T917 | T917-T919 PolarHBondContact O-N 2.86Š| ||
| 920 | T | 34.2 | Very low | 40.9 | Very low | 128.75 Ų | 128.75 | 121.8 Ų | 121.8 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 66.4 | 106.3 | 148.9 | 29.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 921 | S | 30.2 | Very low | 40 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 35.9 | 127.1 | 140.8 | 57.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 922 | T | 29.9 | Very low | 39.7 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | 119.8 | 94.6 | 138.9 | 46.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 923 | F | 35 | Very low | 39.7 | Very low | 202.5 Ų | 202.5 | 122.1 Ų | 122.1 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | -153.4 | 131.6 | 148.6 | -91.8 | -77.9 | 0 | 0 | 0 | 112.6 | ||||
| 924 | S | 32.7 | Very low | 40.9 | Very low | 104.25 Ų | 104.25 | 121.2 Ų | 121.2 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 141.8 | 175.6 | 29.9 | 0 | 0 | 0 | 0 | 114.6 | I926 | S924-I926 PolarHBondContact O-N 3.11Š| ||
| 925 | Q | 33.1 | Very low | 42.3 | Very low | 194 Ų | 194 | 119.4 Ų | 119.4 | 91% | 0.907 | 71% | 0.711 | S | S | * | * | trans | -29 | 108.3 | 168.5 | -65.2 | 171.1 | -23.4 | 0 | 0 | 113.5 | P927 | Q925-P927 VanDerWaalsContact O-CD 3.26Å; Q925-P927 WeakPolarHBondContact O-CD 3.41Å | ||
| 926 | I | 38.5 | Very low | 43.9 | Very low | 145.5 Ų | 145.5 | 115.9 Ų | 115.9 | 75% | 0.746 | 68% | 0.681 | S | S | * | * | trans | -87 | 120.3 | 158.1 | -60 | 175.1 | 0 | 0 | 0 | 106.6 | S924 L928 | S924-I926 PolarHBondContact O-N 3.11Å; I926-L928 PolarHBondContact O-N 3.19Å; I926-L928 VanDerWaalsContact O-N 3.1Å | ||
| 927 | P | 36.7 | Very low | 45.6 | Very low | 109.5 Ų | 109.5 | 113.6 Ų | 113.6 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | trans | -69.5 | 117.4 | 170.4 | 29 | -31.9 | 0 | 0 | 0 | 108.5 | Q925 T929 | Q925-P927 VanDerWaalsContact O-CD 3.26Å; Q925-P927 WeakPolarHBondContact O-CD 3.41Å; P927-T929 VanDerWaalsContact C-N 3.28Å; P927-T929 PolarHBondContact O-N 3.28Å; P927-T929 VanDerWaalsContact O-N 3.1Å | ||
| 928 | L | 39.3 | Very low | 47.8 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | trans | -58.7 | 112 | 160.9 | -79.9 | 129.8 | 0 | 0 | 0 | 107.2 | V904 I926 S930 | V904-L928 HydrophobicContact CG1-CD2 4.24Å; I926-L928 PolarHBondContact O-N 3.19Å; I926-L928 VanDerWaalsContact O-N 3.1Å; L928-S930 VanDerWaalsContact C-N 3.31Å; L928-S930 PolarHBondContact O-N 3.19Å | ||
| 929 | T | 42.6 | Very low | 50.1 | Low | 131.75 Ų | 131.75 | 111.4 Ų | 111.4 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | trans | -62 | 103.2 | 167.3 | 42.1 | 0 | 0 | 0 | 0 | 107.1 | P927 A931 | P927-T929 VanDerWaalsContact C-N 3.28Å; P927-T929 PolarHBondContact O-N 3.28Å; P927-T929 VanDerWaalsContact O-N 3.1Å; T929-A931 VanDerWaalsContact C-N 3.33Å; T929-A931 PolarHBondContact O-N 3.01Å | ||
| 930 | S | 45.5 | Very low | 52.7 | Low | 106.75 Ų | 106.75 | 106.7 Ų | 106.7 | 75% | 0.747 | 61% | 0.611 | S | S | * | * | trans | -61.5 | 101.7 | 179.5 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | L928 D932 | L928-S930 VanDerWaalsContact C-N 3.31Å; L928-S930 PolarHBondContact O-N 3.19Å; S930-D932 PolarHBondContact O-N 2.96Å; S930-D932 VanDerWaalsContact O-N 3.11Å | ||
| 931 | A | 55.5 | Low | 55.4 | Low | 50 Ų | 50 | 108.6 Ų | 108.6 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | trans | -55.8 | 112.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | T929 W936 | T929-A931 VanDerWaalsContact C-N 3.33Å; T929-A931 PolarHBondContact O-N 3.01Å; A931-W936 HydrophobicContact CB-CZ2 4.35Å; A931-W936 PolarHBondContact O-NE1 2.93Å | ||
| 932 | D | 63.4 | Low | 58.3 | Low | 87.25 Ų | 87.25 | 109.9 Ų | 109.9 | 47% | 0.467 | 60% | 0.602 | S | S | . | * | trans | -43.6 | 123.6 | -167.9 | 164.8 | 22.1 | 0 | 0 | 0 | 110.6 | S930 M934 S935 | S930-D932 PolarHBondContact O-N 2.96Å; S930-D932 VanDerWaalsContact O-N 3.11Å; D932-M934 PolarHBondContact O-N 3.06Å; D932-M934 VanDerWaalsContact O-N 3.1Å; D932-M934 WeakPolarHBondContact OD1-CB 3.44Å; D932-M934 PolarHBondContact OD1-N 2.9Å; D932-M934 WeakPolarHBondContact OD2-CB 3.32Å; D932-S935 WeakPolarHBondContact O-CA 3.32Å; D932-S935 VanDerWaalsContact O-CB 3.29Å; D932-S935 WeakPolarHBondContact O-CB 3.37Å; D932-S935 PolarHBondContact O-N 2.94Å; D932-S935 PolarHBondContact O-OG 2.92Å; D932-S935 PolarHBondContact OD2-N 3.25Å | ||
| 933 | P | 60.8 | Low | 61.3 | Low | 94.5 Ų | 94.5 | 105.7 Ų | 105.7 | 61% | 0.614 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -56.7 | -26.6 | -179.3 | 22.2 | -33.2 | 0 | 0 | 0 | 112.9 | W936 L937 | P933-W936 PolarHBondContact O-N 3.05Å; P933-L937 WeakPolarHBondContact O-CD1 3.5Å; P933-L937 PolarHBondContact O-N 3.37Å; P933-L937 VanDerWaalsContact O-N 3.16Å |
| 934 | M | 70.8 | Confident | 63.9 | Low | 94.75 Ų | 94.75 | 101.7 Ų | 101.7 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -31.4 | 171.9 | -74.1 | -60.8 | -56.4 | 0 | 0 | 113.1 | D932 W936 L937 N938 | D932-M934 PolarHBondContact O-N 3.06Å; D932-M934 VanDerWaalsContact O-N 3.1Å; D932-M934 WeakPolarHBondContact OD1-CB 3.44Å; D932-M934 PolarHBondContact OD1-N 2.9Å; D932-M934 WeakPolarHBondContact OD2-CB 3.32Å; M934-W936 VanDerWaalsContact C-N 3.3Å; M934-W936 PolarHBondContact O-N 2.88Å; M934-L937 PolarHBondContact O-N 2.98Å; M934-L937 HydrophobicContact SD-CB 4.4Å; M934-L937 HydrophobicContact SD-CD1 4.08Å; M934-L937 HydrophobicContact SD-CD2 4.28Å; M934-N938 VanDerWaalsContact O-CB 3.3Å; M934-N938 WeakPolarHBondContact O-CB 3.3Å; M934-N938 PolarHBondContact O-N 3.03Å; M934-N938 PolarHBondContact O-ND2 3.12Å |
| 935 | S | 73.7 | Confident | 66.6 | Low | 50 Ų | 50 | 100.3 Ų | 100.3 | 35% | 0.35 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 175.2 | 73.4 | 0 | 0 | 0 | 0 | 112.3 | D932 N938 D939 | D932-S935 WeakPolarHBondContact O-CA 3.32Å; D932-S935 VanDerWaalsContact O-CB 3.29Å; D932-S935 WeakPolarHBondContact O-CB 3.37Å; D932-S935 PolarHBondContact O-N 2.94Å; D932-S935 PolarHBondContact O-OG 2.92Å; D932-S935 PolarHBondContact OD2-N 3.25Å; S935-N938 PolarHBondContact O-N 3.5Å; S935-D939 WeakPolarHBondContact O-CB 3.4Å; S935-D939 PolarHBondContact O-N 3.18Å; S935-D939 VanDerWaalsContact O-N 3.11Å |
| 936 | W | 69 | Low | 69.2 | Low | 36.5 Ų | 36.5 | 95.1 Ų | 95.1 | 14% | 0.138 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -75.2 | -33.3 | 176.5 | -63.2 | 93.1 | 0 | 0 | 0 | 113 | K883 P901 V902 L905 A931 P933 M934 C940 | K883-W936 HydrophobicContact CD-CE3 3.5Å; K883-W936 VanDerWaalsContact CD-CE3 3.48Å; K883-W936 HydrophobicContact CD-CZ3 3.63Å; K883-W936 VanDerWaalsContact NZ-CZ3 3.33Å; P901-W936 HydrophobicContact CB-CH2 4.41Å; P901-W936 HydrophobicContact CB-CZ2 4.21Å; V902-W936 HydrophobicContact CB-CH2 4.39Å; V902-W936 HydrophobicContact CG2-CH2 3.67Å; V902-W936 HydrophobicContact CG2-CZ3 4.02Å; L905-W936 HydrophobicContact CB-CH2 4.36Å; L905-W936 HydrophobicContact CB-CZ2 4.46Å; L905-W936 HydrophobicContact CD2-CD2 3.67Å; L905-W936 HydrophobicContact CD2-CE3 3.29Å; L905-W936 HydrophobicContact CD2-CG 4.33Å; L905-W936 HydrophobicContact CD2-CH2 3.86Å; L905-W936 HydrophobicContact CD2-CZ2 4.19Å; L905-W936 HydrophobicContact CD2-CZ3 3.39Å; L905-W936 VanDerWaalsContact CD2-CZ3 3.44Å; A931-W936 HydrophobicContact CB-CZ2 4.35Å; A931-W936 PolarHBondContact O-NE1 2.93Å; P933-W936 PolarHBondContact O-N 3.05Å; M934-W936 VanDerWaalsContact C-N 3.3Å; M934-W936 PolarHBondContact O-N 2.88Å; W936-C940 VanDerWaalsContact O-CB 3.31Å; W936-C940 WeakPolarHBondContact O-CB 3.33Å; W936-C940 PolarHBondContact O-N 3.17Å |
| 937 | L | 72.8 | Confident | 71.6 | Confident | 114.75 Ų | 114.75 | 90.8 Ų | 90.8 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 171.6 | -107.9 | 93.8 | 0 | 0 | 0 | 111.7 | P933 M934 D939 C940 | P933-L937 WeakPolarHBondContact O-CD1 3.5Å; P933-L937 PolarHBondContact O-N 3.37Å; P933-L937 VanDerWaalsContact O-N 3.16Å; M934-L937 PolarHBondContact O-N 2.98Å; M934-L937 HydrophobicContact SD-CB 4.4Å; M934-L937 HydrophobicContact SD-CD1 4.08Å; M934-L937 HydrophobicContact SD-CD2 4.28Å; L937-D939 PolarHBondContact O-N 2.91Å; L937-C940 VanDerWaalsContact O-CB 3.22Å; L937-C940 WeakPolarHBondContact O-CB 3.41Å; L937-C940 PolarHBondContact O-N 2.98Å; L937-C940 VanDerWaalsContact O-N 3.15Å; L937-C940 PolarHBondContact O-SG 2.81Å |
| 938 | N | 79.1 | Confident | 74 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.8 | -33.7 | -179.7 | -67.9 | -20.6 | 0 | 0 | 0 | 112.7 | M934 S935 C940 | M934-N938 VanDerWaalsContact O-CB 3.3Å; M934-N938 WeakPolarHBondContact O-CB 3.3Å; M934-N938 PolarHBondContact O-N 3.03Å; M934-N938 PolarHBondContact O-ND2 3.12Å; S935-N938 PolarHBondContact O-N 3.5Å; N938-C940 VanDerWaalsContact C-N 3.31Å; N938-C940 PolarHBondContact O-N 3.17Å |
| 939 | D | 78 | Confident | 76.2 | Confident | 62 Ų | 62 | 80 Ų | 80 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.1 | 171.6 | -102.8 | 0 | 0 | 0 | 0 | 113 | K883 K886 S935 L937 | K883-D939 HydrophobicContact CD-CB 3.98Å; K883-D939 VanDerWaalsContact CE-OD2 3.3Å; K883-D939 WeakPolarHBondContact CE-OD2 3.42Å; K883-D939 HydrophobicContact CG-CB 4.3Å; K883-D939 IonicContact NZ-OD2 3.25Å; K883-D939 PolarHBondContact NZ-OD2 3.03Å; K886-D939 VanDerWaalsContact NZ-CG 3.31Å; K886-D939 IonicContact NZ-OD1 3.01Å; K886-D939 PolarHBondContact NZ-OD1 3.07Å; K886-D939 VanDerWaalsContact NZ-OD1 3.1Å; K886-D939 IonicContact NZ-OD2 3.4Å; K886-D939 PolarHBondContact NZ-OD2 2.89Å; S935-D939 WeakPolarHBondContact O-CB 3.4Å; S935-D939 PolarHBondContact O-N 3.18Å; S935-D939 VanDerWaalsContact O-N 3.11Å; L937-D939 PolarHBondContact O-N 2.91Å |
| 940 | C | 85.9 | Confident | 78.3 | Confident | 30.75 Ų | 30.75 | 78 Ų | 78 | 21% | 0.208 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.8 | -174.4 | 178.2 | 0 | 0 | 0 | 0 | 113.5 | L873 A881 V882 W936 L937 N938 | L873-C940 HydrophobicContact CD1-CB 4.16Å; A881-C940 VanDerWaalsContact C-SG 3.58Å; V882-C940 VanDerWaalsContact C-SG 3.58Å; V882-C940 PolarHBondContact N-SG 2.96Å; V882-C940 VanDerWaalsContact N-SG 3.36Å; W936-C940 VanDerWaalsContact O-CB 3.31Å; W936-C940 WeakPolarHBondContact O-CB 3.33Å; W936-C940 PolarHBondContact O-N 3.17Å; L937-C940 VanDerWaalsContact O-CB 3.22Å; L937-C940 WeakPolarHBondContact O-CB 3.41Å; L937-C940 PolarHBondContact O-N 2.98Å; L937-C940 VanDerWaalsContact O-N 3.15Å; L937-C940 PolarHBondContact O-SG 2.81Å; N938-C940 VanDerWaalsContact C-N 3.31Å; N938-C940 PolarHBondContact O-N 3.17Å |
| 941 | R | 89.8 | Confident | 79.9 | Confident | 167.75 Ų | 167.75 | 74.5 Ų | 74.5 | 63% | 0.633 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.5 | 173 | -67.2 | -171.2 | 175 | -133.2 | -2.3 | 111.3 | V882 F884 L943 | V882-R941 PolarHBondContact N-O 3.17Å; V882-R941 PolarHBondContact O-N 2.94Å; F884-R941 HydrophobicContact CD2-CB 4.5Å; F884-R941 HydrophobicContact CD2-CG 4.43Å; F884-R941 HydrophobicContact CE2-CB 4.26Å; F884-R941 HydrophobicContact CE2-CG 4.47Å; R941-L943 HydrophobicContact CB-CG 4.46Å |
| 942 | L | 92.7 | Very high | 80.6 | Confident | 128.75 Ų | 128.75 | 83.2 Ų | 83.2 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120 | 168.4 | -58.6 | -179.9 | 0 | 0 | 0 | 109 | I879 A881 | I879-L942 HydrophobicContact CG2-CB 4.07Å; I879-L942 HydrophobicContact CG2-CD2 4.25Å; A881-L942 HydrophobicContact CB-CD2 3.89Å |
| 943 | L | 91.7 | Very high | 80.7 | Confident | 38.5 Ų | 38.5 | 84.7 Ų | 84.7 | 20% | 0.202 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155.1 | 179.3 | -67.8 | 175.7 | 0 | 0 | 0 | 109.6 | I618 I879 A880 F884 R941 L948 | I618-L943 HydrophobicContact CD1-CD1 4.49Å; I618-L943 HydrophobicContact CG1-CD1 4.21Å; I879-L943 CarbonylContact C-O 3.54Å; I879-L943 WeakPolarHBondContact CA-O 3.28Å; A880-L943 PolarHBondContact N-O 2.98Å; A880-L943 PolarHBondContact O-N 2.94Å; F884-L943 HydrophobicContact CE2-CD1 3.71Å; F884-L943 HydrophobicContact CZ-CD1 3.6Å; R941-L943 HydrophobicContact CB-CG 4.46Å; L943-L948 HydrophobicContact CB-CD1 4.2Å; L943-L948 HydrophobicContact CB-CD2 4.4Å; L943-L948 HydrophobicContact CB-CG 4.3Å; L943-L948 HydrophobicContact CD1-CD2 3.82Å |
| 944 | R | 90.2 | Very high | 80.7 | Confident | 119.75 Ų | 119.75 | 80.7 Ų | 80.7 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 153.4 | 177.5 | -55.5 | 179 | -121 | 177.6 | 2.2 | 111.5 | N878 E946 D947 | N878-R944 CarbonylContact O-C 3.56Å; N878-R944 VanDerWaalsContact O-CA 3.28Å; N878-R944 WeakPolarHBondContact O-CA 3.38Å; R944-E946 VanDerWaalsContact CB-CD 3.45Å; R944-E946 HydrophobicContact CB-CG 4.14Å; R944-E946 WeakPolarHBondContact CB-OE1 3.34Å; R944-E946 WeakPolarHBondContact CB-OE2 3.26Å; R944-E946 VanDerWaalsContact CD-OE1 3.32Å; R944-E946 WeakPolarHBondContact CD-OE1 3.3Å; R944-E946 IonicContact CZ-OE1 3.3Å; R944-E946 IonicContact NE-OE1 3.05Å; R944-E946 IonicContact NH1-OE1 3.41Å; R944-E946 PolarHBondContact NH1-OE1 3.17Å; R944-E946 PolarHBondContact O-N 2.9Å; R944-D947 VanDerWaalsContact CB-OD2 3.25Å; R944-D947 WeakPolarHBondContact CB-OD2 3.26Å; R944-D947 WeakPolarHBondContact CG-OD2 3.33Å; R944-D947 IonicContact CZ-OD2 2.74Å; R944-D947 VanDerWaalsContact CZ-OD2 3.25Å; R944-D947 PolarHBondContact N-OD2 2.92Å; R944-D947 IonicContact NE-OD2 3.72Å; R944-D947 PolarHBondContact NE-OD2 2.9Å; R944-D947 IonicContact NH2-OD1 3.09Å; R944-D947 PolarHBondContact NH2-OD1 3.4Å; R944-D947 VanDerWaalsContact NH2-OD1 3.13Å; R944-D947 IonicContact NH2-OD2 3.46Å; R944-D947 PolarHBondContact NH2-OD2 3.06Å; R944-D947 WeakPolarHBondContact O-CB 3.3Å; R944-D947 PolarHBondContact O-N 3.01Å; R944-D947 VanDerWaalsContact O-N 3.07Å |
| 945 | K | 88.5 | Confident | 79.9 | Confident | 74.5 Ų | 74.5 | 78.3 Ų | 78.3 | 32% | 0.324 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -64.5 | -27.5 | -178.3 | -164.9 | 163.6 | -177 | 156.5 | 0 | 112.1 | I610 V875 N878 | I610-K945 HydrophobicContact CB-CD 4.4Å; I610-K945 HydrophobicContact CB-CG 4.23Å; I610-K945 HydrophobicContact CD1-CG 4.13Å; I610-K945 HydrophobicContact CG1-CG 4.29Å; I610-K945 VanDerWaalsContact O-CE 3.31Å; I610-K945 WeakPolarHBondContact O-CE 3.48Å; I610-K945 PolarHBondContact O-NZ 3.09Å; V875-K945 HydrophobicContact CG1-CD 4.44Å; N878-K945 WeakPolarHBondContact O-CB 3.22Å; N878-K945 PolarHBondContact O-N 2.83Å |
| 946 | E | 88.6 | Confident | 78.8 | Confident | 84.75 Ų | 84.75 | 81.6 Ų | 81.6 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -75.1 | -27.1 | 172 | 63.9 | -96.2 | -153.6 | 0 | 0 | 114.1 | R619 R944 L948 | R619-E946 WeakPolarHBondContact CD-O 3.4Å; R619-E946 PolarHBondContact NH1-O 3.08Å; R944-E946 VanDerWaalsContact CB-CD 3.45Å; R944-E946 HydrophobicContact CB-CG 4.14Å; R944-E946 WeakPolarHBondContact CB-OE1 3.34Å; R944-E946 WeakPolarHBondContact CB-OE2 3.26Å; R944-E946 VanDerWaalsContact CD-OE1 3.32Å; R944-E946 WeakPolarHBondContact CD-OE1 3.3Å; R944-E946 IonicContact CZ-OE1 3.3Å; R944-E946 IonicContact NE-OE1 3.05Å; R944-E946 IonicContact NH1-OE1 3.41Å; R944-E946 PolarHBondContact NH1-OE1 3.17Å; R944-E946 PolarHBondContact O-N 2.9Å; E946-L948 PolarHBondContact O-N 3.04Å |
| 947 | D | 88.5 | Confident | 78.1 | Confident | 55.75 Ų | 55.75 | 83.7 Ų | 83.7 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -81 | -1.8 | -179.5 | -61.8 | -38.2 | 0 | 0 | 0 | 112.8 | I618 R619 R944 | I618-D947 CarbonylContact C-O 3.54Å; I618-D947 WeakPolarHBondContact CA-O 3.48Å; R619-D947 WeakPolarHBondContact CB-O 3.37Å; R619-D947 PolarHBondContact N-O 3.17Å; R944-D947 VanDerWaalsContact CB-OD2 3.25Å; R944-D947 WeakPolarHBondContact CB-OD2 3.26Å; R944-D947 WeakPolarHBondContact CG-OD2 3.33Å; R944-D947 IonicContact CZ-OD2 2.74Å; R944-D947 VanDerWaalsContact CZ-OD2 3.25Å; R944-D947 PolarHBondContact N-OD2 2.92Å; R944-D947 IonicContact NE-OD2 3.72Å; R944-D947 PolarHBondContact NE-OD2 2.9Å; R944-D947 IonicContact NH2-OD1 3.09Å; R944-D947 PolarHBondContact NH2-OD1 3.4Å; R944-D947 VanDerWaalsContact NH2-OD1 3.13Å; R944-D947 IonicContact NH2-OD2 3.46Å; R944-D947 PolarHBondContact NH2-OD2 3.06Å; R944-D947 WeakPolarHBondContact O-CB 3.3Å; R944-D947 PolarHBondContact O-N 3.01Å; R944-D947 VanDerWaalsContact O-N 3.07Å |
| 948 | L | 87.5 | Confident | 77.4 | Confident | 3.75 Ų | 3.75 | 83.7 Ų | 83.7 | 2% | 0.02 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.9 | -172.5 | -69 | 171.8 | 0 | 0 | 0 | 112.6 | I610 V616 C617 R619 A880 V882 L943 E946 | I610-L948 HydrophobicContact CD1-CB 3.47Å; I610-L948 VanDerWaalsContact CD1-CB 3.45Å; I610-L948 HydrophobicContact CD1-CD1 4.25Å; I610-L948 HydrophobicContact CD1-CG 4.48Å; V616-L948 HydrophobicContact CB-CB 4.49Å; V616-L948 HydrophobicContact CB-CD2 4.21Å; V616-L948 HydrophobicContact CG2-CD1 4.38Å; V616-L948 HydrophobicContact CG2-CD2 3.99Å; C617-L948 WeakPolarHBondContact O-CA 3.29Å; R619-L948 PolarHBondContact NH1-O 2.83Å; A880-L948 HydrophobicContact CB-CD1 3.81Å; V882-L948 HydrophobicContact CG2-CD1 3.87Å; V882-L948 HydrophobicContact CG2-CD2 4.5Å; L943-L948 HydrophobicContact CB-CD1 4.2Å; L943-L948 HydrophobicContact CB-CD2 4.4Å; L943-L948 HydrophobicContact CB-CG 4.3Å; L943-L948 HydrophobicContact CD1-CD2 3.82Å; E946-L948 PolarHBondContact O-N 3.04Å |
| 949 | T | 85.9 | Confident | 76.6 | Confident | 24.5 Ų | 24.5 | 79.2 Ų | 79.2 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.2 | 171.4 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | V616 C617 R619 | V616-T949 CarbonylContact C-O 3.57Å; V616-T949 VanDerWaalsContact CA-O 3.28Å; V616-T949 WeakPolarHBondContact CA-O 3.35Å; C617-T949 PolarHBondContact N-O 2.88Å; C617-T949 PolarHBondContact O-N 2.84Å; C617-T949 PolarHBondContact O-OG1 2.89Å; C617-T949 PolarHBondContact SG-OG1 3.04Å; C617-T949 VanDerWaalsContact SG-OG1 3.38Å; R619-T949 HydrophobicContact CB-CG2 4.08Å; R619-T949 HydrophobicContact CG-CG2 3.97Å |
| 950 | I | 85.8 | Confident | 76 | Confident | 90.25 Ų | 90.25 | 77.9 Ų | 77.9 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.4 | 179 | -58.7 | 175.1 | 0 | 0 | 0 | 109.9 | I610 F615 V616 | I610-I950 HydrophobicContact CG1-CD1 4.1Å; I610-I950 HydrophobicContact CG1-CG1 3.88Å; F615-I950 WeakPolarHBondContact O-CA 3.39Å; V616-I950 HydrophobicContact CG1-CG1 4.38Å |
| 951 | V | 79.1 | Confident | 75.4 | Confident | 32.75 Ų | 32.75 | 80.9 Ų | 80.9 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | trans | -115.1 | 140.3 | 176.7 | -168.2 | 0 | 0 | 0 | 0 | 108.4 | F615 C617 N953 V957 | F615-V951 PolarHBondContact O-N 2.94Å; C617-V951 HydrophobicContact CB-CG2 3.86Å; C617-V951 VanDerWaalsContact SG-CG2 3.52Å; V951-N953 VanDerWaalsContact CG1-O 3.29Å; V951-N953 WeakPolarHBondContact CG1-O 3.35Å; V951-V957 HydrophobicContact CB-CG2 4.42Å; V951-V957 HydrophobicContact CG1-CG2 3.56Å; V951-V957 HydrophobicContact CG2-CG2 3.88Å | ||
| 952 | R | 71.6 | Confident | 74.9 | Confident | 233.5 Ų | 233.5 | 74.3 Ų | 74.3 | 88% | 0.881 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -80.2 | -37.9 | -177.2 | -73.6 | -174.3 | 172.3 | 123.1 | -3 | 114 | ||
| 953 | N | 64.8 | Low | 74.5 | Confident | 118.5 Ų | 118.5 | 69.4 Ų | 69.4 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | trans | -128.8 | 148.3 | 177.5 | -71.5 | 52.6 | 0 | 0 | 0 | 110.2 | V951 G955 | V951-N953 VanDerWaalsContact CG1-O 3.29Å; V951-N953 WeakPolarHBondContact CG1-O 3.35Å; N953-G955 PolarHBondContact O-N 3.01Å | ||
| 954 | A | 59.8 | Low | 74.4 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -75.3 | -11.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | F615 V869 L885 V893 | F615-A954 HydrophobicContact CD1-CB 4.17Å; F615-A954 HydrophobicContact CE1-CB 4.05Å; F615-A954 HydrophobicContact CZ-CB 4.46Å; V869-A954 HydrophobicContact CG1-CB 4.42Å; L885-A954 HydrophobicContact CD1-CB 4.23Å; V893-A954 HydrophobicContact CB-CB 4.3Å; V893-A954 HydrophobicContact CG1-CB 3.9Å |
| 955 | G | 53.8 | Low | 74.2 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -107.7 | 119.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N953 V957 | N953-G955 PolarHBondContact O-N 3.01Å; G955-V957 PolarHBondContact O-N 3.11Å |
| 956 | L | 52.4 | Low | 74.2 | Confident | 120.5 Ų | 120.5 | 70.3 Ų | 70.3 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | trans | -114.4 | 124.1 | 163.7 | -76.8 | 173.7 | 0 | 0 | 0 | 112.2 | T866 E887 R958 | T866-L956 HydrophobicContact CG2-CB 3.94Å; T866-L956 HydrophobicContact CG2-CD2 3.58Å; T866-L956 HydrophobicContact CG2-CG 4.37Å; T866-L956 WeakPolarHBondContact OG1-CD2 3.31Å; E887-L956 WeakPolarHBondContact OE1-CD2 3.24Å; L956-R958 VanDerWaalsContact C-N 3.3Å; L956-R958 HydrophobicContact CB-CG 4.2Å; L956-R958 PolarHBondContact O-N 3.1Å | ||
| 957 | V | 52.6 | Low | 74.4 | Confident | 80 Ų | 80 | 68 Ų | 68 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | trans | -64 | 120.5 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 109 | T866 Q867 V951 G955 V959 | T866-V957 WeakPolarHBondContact CG2-O 3.45Å; Q867-V957 HydrophobicContact CB-CB 4.45Å; V951-V957 HydrophobicContact CB-CG2 4.42Å; V951-V957 HydrophobicContact CG1-CG2 3.56Å; V951-V957 HydrophobicContact CG2-CG2 3.88Å; G955-V957 PolarHBondContact O-N 3.11Å; V957-V959 HydrophobicContact CG1-CB 4.4Å; V957-V959 HydrophobicContact CG1-CG2 4.2Å; V957-V959 PolarHBondContact O-N 2.81Å | ||
| 958 | R | 58.4 | Low | 74.5 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | trans | -87.2 | 60.7 | -174 | -80.3 | -171 | -160.3 | -158.6 | 4.2 | 113.2 | H625 D863 R865 Q867 L956 P960 | H625-R958 PolarHBondContact CD2-NH2 3.2Å; H625-R958 PolarHBondContact CE1-NH1 2.86Å; H625-R958 PolarHBondContact CE1-NH2 3.49Å; H625-R958 PolarHBondContact ND1-NH2 3.17Å; H625-R958 PolarHBondContact NE2-NH1 2.94Å; H625-R958 VanDerWaalsContact NE2-NH1 3.17Å; H625-R958 PolarHBondContact NE2-NH2 3.16Å; H625-R958 VanDerWaalsContact NE2-NH2 3.18Å; D863-R958 HydrophobicContact CB-CB 4.19Å; D863-R958 IonicContact OD1-NH2 3.1Å; D863-R958 VanDerWaalsContact OD2-CB 3.22Å; D863-R958 WeakPolarHBondContact OD2-CB 3.2Å; D863-R958 VanDerWaalsContact OD2-CD 3.29Å; D863-R958 WeakPolarHBondContact OD2-CD 3.47Å; D863-R958 IonicContact OD2-CZ 3.34Å; D863-R958 IonicContact OD2-NE 3.74Å; D863-R958 PolarHBondContact OD2-NE 3.21Å; D863-R958 IonicContact OD2-NH2 3.73Å; D863-R958 PolarHBondContact OD2-NH2 3.47Å; R865-R958 PolarHBondContact O-NH2 3.13Å; Q867-R958 VanDerWaalsContact CB-CZ 3.45Å; Q867-R958 VanDerWaalsContact CB-NH1 3.31Å; Q867-R958 VanDerWaalsContact N-NH2 3.19Å; Q867-R958 VanDerWaalsContact OE1-CZ 3.23Å; L956-R958 VanDerWaalsContact C-N 3.3Å; L956-R958 HydrophobicContact CB-CG 4.2Å; L956-R958 PolarHBondContact O-N 3.1Å; R958-P960 WeakPolarHBondContact O-CD 3.33Å; R958-P960 VanDerWaalsContact O-N 3.13Å | ||
| 959 | V | 62.5 | Low | 74.6 | Confident | 28.75 Ų | 28.75 | 77.3 Ų | 77.3 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -55 | 131.5 | 167.4 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | F624 D863 V957 D961 | F624-V959 HydrophobicContact CE1-CG1 4.35Å; D863-V959 HydrophobicContact CB-CG2 3.94Å; D863-V959 WeakPolarHBondContact OD1-CG2 3.32Å; V957-V959 HydrophobicContact CG1-CB 4.4Å; V957-V959 HydrophobicContact CG1-CG2 4.2Å; V957-V959 PolarHBondContact O-N 2.81Å; V959-D961 PolarHBondContact O-N 3.37Å |
| 960 | P | 65.8 | Low | 74.7 | Confident | 34.75 Ų | 34.75 | 77.1 Ų | 77.1 | 23% | 0.226 | 38% | 0.38 | C | S | . | . | trans | -57.7 | 138.4 | 177.9 | -22.7 | 32.7 | 0 | 0 | 0 | 110.7 | I546 M549 R958 V962 | I546-P960 HydrophobicContact CG1-CB 4.38Å; I546-P960 HydrophobicContact CG1-CG 3.81Å; M549-P960 HydrophobicContact CE-CB 4.1Å; M549-P960 HydrophobicContact CE-CG 3.97Å; M549-P960 HydrophobicContact SD-CG 4.1Å; R958-P960 WeakPolarHBondContact O-CD 3.33Å; R958-P960 VanDerWaalsContact O-N 3.13Å; P960-V962 VanDerWaalsContact C-N 3.29Å; P960-V962 HydrophobicContact CB-CG1 4.37Å; P960-V962 WeakPolarHBondContact O-CG1 3.3Å; P960-V962 PolarHBondContact O-N 3.03Å; P960-V962 VanDerWaalsContact O-N 3.1Å | ||
| 961 | D | 72.5 | Confident | 74.5 | Confident | 92.5 Ų | 92.5 | 76 Ų | 76 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | -69 | 103.2 | 178.3 | -161.3 | 1.5 | 0 | 0 | 0 | 109.7 | V959 V963 R965 | V959-D961 PolarHBondContact O-N 3.37Å; D961-V963 PolarHBondContact O-N 2.98Å; D961-V963 VanDerWaalsContact O-N 3.13Å; D961-V963 PolarHBondContact OD1-N 3.13Å; D961-R965 IonicContact OD1-CZ 2.86Å; D961-R965 IonicContact OD1-NE 3.6Å; D961-R965 IonicContact OD1-NH1 3.37Å; D961-R965 PolarHBondContact OD1-NH1 3.11Å; D961-R965 IonicContact OD1-NH2 3.15Å; D961-R965 PolarHBondContact OD1-NH2 2.8Å; D961-R965 IonicContact OD2-CZ 3.05Å; D961-R965 IonicContact OD2-NE 2.65Å; D961-R965 IonicContact OD2-NH1 3.06Å; D961-R965 PolarHBondContact OD2-NH1 3.25Å; D961-R965 IonicContact OD2-NH2 3.4Å; D961-R965 PolarHBondContact OD2-NH2 2.96Å | ||
| 962 | V | 81 | Confident | 73.8 | Confident | 29.5 Ų | 29.5 | 76.8 Ų | 76.8 | 18% | 0.179 | 38% | 0.381 | C | S | . | . | trans | -103.5 | 13.8 | -174.5 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | Y537 R542 P960 | Y537-V962 WeakPolarHBondContact CB-O 3.39Å; Y537-V962 HydrophobicContact CD2-CB 4.42Å; Y537-V962 PolarHBondContact N-O 2.91Å; R542-V962 HydrophobicContact CB-CG1 4.01Å; R542-V962 HydrophobicContact CG-CB 3.94Å; R542-V962 HydrophobicContact CG-CG1 3.64Å; P960-V962 VanDerWaalsContact C-N 3.29Å; P960-V962 HydrophobicContact CB-CG1 4.37Å; P960-V962 WeakPolarHBondContact O-CG1 3.3Å; P960-V962 PolarHBondContact O-N 3.03Å; P960-V962 VanDerWaalsContact O-N 3.1Å | ||
| 963 | V | 84.4 | Confident | 73.3 | Confident | 25.5 Ų | 25.5 | 66.7 Ų | 66.7 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.4 | -177.4 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | L495 G496 I497 I536 D961 R965 | L495-V963 HydrophobicContact CB-CG2 4.33Å; G496-V963 WeakPolarHBondContact O-CG1 3.42Å; I497-V963 HydrophobicContact CD1-CG2 4.49Å; I497-V963 HydrophobicContact CG1-CG1 4.29Å; I497-V963 HydrophobicContact CG1-CG2 3.86Å; I536-V963 HydrophobicContact CG1-CG2 4.45Å; D961-V963 PolarHBondContact O-N 2.98Å; D961-V963 VanDerWaalsContact O-N 3.13Å; D961-V963 PolarHBondContact OD1-N 3.13Å; V963-R965 VanDerWaalsContact C-N 3.35Å; V963-R965 HydrophobicContact CG1-CG 4.22Å; V963-R965 WeakPolarHBondContact O-CG 3.37Å; V963-R965 PolarHBondContact O-N 3.19Å |
| 964 | Q | 88.4 | Confident | 72.7 | Confident | 54.75 Ų | 54.75 | 64.5 Ų | 64.5 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 94.8 | 168.8 | -172.6 | 56.6 | 56.7 | 0 | 0 | 108.9 | W533 W534 G535 Y537 T966 R968 | W533-Q964 HydrophobicContact CE3-CB 4.4Å; W533-Q964 HydrophobicContact CH2-CB 4.02Å; W533-Q964 HydrophobicContact CH2-CG 4.34Å; W533-Q964 HydrophobicContact CZ2-CG 4.34Å; W533-Q964 HydrophobicContact CZ3-CB 3.9Å; W533-Q964 HydrophobicContact CZ3-CG 4.37Å; W534-Q964 HydrophobicContact CB-CG 4.45Å; W534-Q964 WeakPolarHBondContact CB-O 3.46Å; G535-Q964 PolarHBondContact N-O 3.16Å; G535-Q964 WeakPolarHBondContact O-CB 3.34Å; G535-Q964 PolarHBondContact O-N 3.08Å; Y537-Q964 HydrophobicContact CD1-CB 4.28Å; Y537-Q964 HydrophobicContact CE1-CB 3.86Å; Y537-Q964 PolarHBondContact OH-OE1 3.15Å; Q964-T966 WeakPolarHBondContact CG-O 3.34Å; Q964-T966 PolarHBondContact NE2-O 2.98Å; Q964-T966 PolarHBondContact O-N 3.33Å; Q964-T966 VanDerWaalsContact O-N 3.12Å; Q964-R968 HydrophobicContact CG-CB 4.03Å |
| 965 | R | 85.9 | Confident | 71.9 | Confident | 131.25 Ų | 131.25 | 68.3 Ų | 68.3 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -25 | -175.5 | -61 | -173.5 | -169.4 | 88.2 | 15.1 | 114.8 | L495 D961 V963 | L495-R965 PolarHBondContact O-NE 3.49Å; L495-R965 PolarHBondContact O-NH2 3.45Å; D961-R965 IonicContact OD1-CZ 2.86Å; D961-R965 IonicContact OD1-NE 3.6Å; D961-R965 IonicContact OD1-NH1 3.37Å; D961-R965 PolarHBondContact OD1-NH1 3.11Å; D961-R965 IonicContact OD1-NH2 3.15Å; D961-R965 PolarHBondContact OD1-NH2 2.8Å; D961-R965 IonicContact OD2-CZ 3.05Å; D961-R965 IonicContact OD2-NE 2.65Å; D961-R965 IonicContact OD2-NH1 3.06Å; D961-R965 PolarHBondContact OD2-NH1 3.25Å; D961-R965 IonicContact OD2-NH2 3.4Å; D961-R965 PolarHBondContact OD2-NH2 2.96Å; V963-R965 VanDerWaalsContact C-N 3.35Å; V963-R965 HydrophobicContact CG1-CG 4.22Å; V963-R965 WeakPolarHBondContact O-CG 3.37Å; V963-R965 PolarHBondContact O-N 3.19Å |
| 966 | T | 89.2 | Confident | 71.3 | Confident | 65.5 Ų | 65.5 | 70.9 Ų | 70.9 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.2 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | E506 Q964 R968 | E506-T966 WeakPolarHBondContact OE1-CB 3.3Å; E506-T966 PolarHBondContact OE1-OG1 3.36Å; Q964-T966 WeakPolarHBondContact CG-O 3.34Å; Q964-T966 PolarHBondContact NE2-O 2.98Å; Q964-T966 PolarHBondContact O-N 3.33Å; Q964-T966 VanDerWaalsContact O-N 3.12Å; T966-R968 PolarHBondContact O-N 3.29Å; T966-R968 VanDerWaalsContact O-N 3.1Å |
| 967 | P | 91.6 | Very high | 70.6 | Confident | 36.5 Ų | 36.5 | 70 Ų | 70 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 113.4 | -176.4 | -24.8 | 34.4 | 0 | 0 | 0 | 113.2 | F504 L507 Y532 W533 W534 | F504-P967 HydrophobicContact CB-CG 3.94Å; F504-P967 HydrophobicContact CD1-CG 4.05Å; F504-P967 HydrophobicContact CD2-CG 3.39Å; F504-P967 VanDerWaalsContact CD2-CG 3.41Å; F504-P967 HydrophobicContact CE1-CG 4.4Å; F504-P967 HydrophobicContact CE2-CG 3.79Å; F504-P967 HydrophobicContact CG-CG 3.53Å; F504-P967 HydrophobicContact CZ-CG 4.27Å; L507-P967 HydrophobicContact CD1-CB 4.41Å; L507-P967 HydrophobicContact CD1-CG 3.98Å; L507-P967 HydrophobicContact CD2-CB 4.47Å; L507-P967 HydrophobicContact CG-CB 4.49Å; L507-P967 HydrophobicContact CG-CG 4.35Å; Y532-P967 HydrophobicContact CD1-CB 4.26Å; Y532-P967 HydrophobicContact CG-CB 4.39Å; W533-P967 CarbonylContact O-C 3.54Å; W533-P967 WeakPolarHBondContact O-CA 3.27Å; W534-P967 HydrophobicContact CD2-CG 4.49Å; W534-P967 HydrophobicContact CE3-CB 4.06Å; W534-P967 HydrophobicContact CE3-CG 3.88Å; W534-P967 HydrophobicContact CZ3-CB 4.45Å; W534-P967 HydrophobicContact CZ3-CG 4.17Å |
| 968 | R | 91.3 | Very high | 69.7 | Low | 108.5 Ų | 108.5 | 76.4 Ų | 76.4 | 41% | 0.409 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.5 | 176.5 | -175.1 | 169 | 176.3 | -122.1 | -14.2 | 110.3 | Y532 W533 Q964 T966 V970 L1030 S1031 | Y532-R968 CarbonylContact C-O 3.57Å; Y532-R968 VanDerWaalsContact CA-O 3.31Å; Y532-R968 WeakPolarHBondContact CA-O 3.46Å; W533-R968 PolarHBondContact N-O 3.22Å; W533-R968 PolarHBondContact O-N 2.8Å; Q964-R968 HydrophobicContact CG-CB 4.03Å; T966-R968 PolarHBondContact O-N 3.29Å; T966-R968 VanDerWaalsContact O-N 3.1Å; R968-V970 PolarHBondContact O-N 3.12Å; R968-L1030 PolarHBondContact NH1-O 2.84Å; R968-S1031 VanDerWaalsContact NH1-C 3.31Å; R968-S1031 PolarHBondContact NH1-O 3.46Å; R968-S1031 PolarHBondContact NH2-O 3.23Å |
| 969 | R | 90 | Very high | 68.5 | Low | 146 Ų | 146 | 75.6 Ų | 75.6 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.8 | 175.6 | -140 | -177.9 | -88.3 | 173.7 | -1.8 | 110.5 | V531 Y532 F971 | V531-R969 WeakPolarHBondContact O-CA 3.27Å; Y532-R969 HydrophobicContact CD1-CB 3.72Å; Y532-R969 HydrophobicContact CD1-CG 4.11Å; Y532-R969 HydrophobicContact CE1-CB 3.69Å; Y532-R969 HydrophobicContact CE1-CG 3.86Å; Y532-R969 HydrophobicContact CG-CB 4.48Å; Y532-R969 VanDerWaalsContact CZ-NE 3.35Å; Y532-R969 VanDerWaalsContact OH-CZ 3.26Å; Y532-R969 PolarHBondContact OH-NE 3.14Å; Y532-R969 PolarHBondContact OH-NH2 3.05Å; R969-F971 HydrophobicContact CB-CE2 4.29Å; R969-F971 HydrophobicContact CB-CZ 4.31Å |
| 970 | V | 88.4 | Confident | 67 | Low | 22 Ų | 22 | 84.8 Ų | 84.8 | 13% | 0.133 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -55.1 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 109 | V531 W533 R968 I1008 Y1028 G1032 | V531-V970 HydrophobicContact CG1-CB 4.42Å; V531-V970 HydrophobicContact CG1-CG2 4.1Å; V531-V970 PolarHBondContact O-N 2.95Å; W533-V970 HydrophobicContact CG-CG2 4.37Å; R968-V970 PolarHBondContact O-N 3.12Å; V970-I1008 HydrophobicContact CG1-CD1 4.32Å; V970-I1008 HydrophobicContact CG2-CD1 3.82Å; V970-Y1028 HydrophobicContact CG1-CD1 4.14Å; V970-Y1028 HydrophobicContact CG1-CE1 4.07Å; V970-Y1028 HydrophobicContact CG1-CG 4.18Å; V970-G1032 VanDerWaalsContact O-CA 3.27Å; V970-G1032 WeakPolarHBondContact O-CA 3.36Å |
| 971 | F | 81.5 | Confident | 65.4 | Low | 67.25 Ų | 67.25 | 89.9 Ų | 89.9 | 30% | 0.295 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 147 | 172 | 38.3 | -91.1 | 0 | 0 | 0 | 108.5 | V531 R969 A973 I998 V1010 Y1028 | V531-F971 HydrophobicContact CB-CE1 4.11Å; V531-F971 HydrophobicContact CB-CZ 4.14Å; V531-F971 HydrophobicContact CG2-CE1 4.03Å; V531-F971 HydrophobicContact CG2-CE2 4.17Å; V531-F971 HydrophobicContact CG2-CZ 3.6Å; V531-F971 VanDerWaalsContact CG2-CZ 3.49Å; V531-F971 PolarHBondContact N-O 2.81Å; R969-F971 HydrophobicContact CB-CE2 4.29Å; R969-F971 HydrophobicContact CB-CZ 4.31Å; F971-A973 PolarHBondContact O-N 3.15Å; F971-I998 HydrophobicContact CE2-CD1 4.04Å; F971-I998 HydrophobicContact CZ-CD1 4.01Å; F971-V1010 HydrophobicContact CE1-CG2 4.24Å; F971-V1010 HydrophobicContact CZ-CG1 4.49Å; F971-V1010 HydrophobicContact CZ-CG2 4.22Å; F971-Y1028 HydrophobicContact CB-CE1 4.26Å; F971-Y1028 AromaticContact CD1-CD1 3.67Å; F971-Y1028 HydrophobicContact CD1-CD1 3.67Å; F971-Y1028 AromaticContact CD1-CD2 3.93Å; F971-Y1028 HydrophobicContact CD1-CD2 3.93Å; F971-Y1028 AromaticContact CD1-CE1 3.56Å; F971-Y1028 HydrophobicContact CD1-CE1 3.56Å; F971-Y1028 AromaticContact CD1-CE2 3.84Å; F971-Y1028 HydrophobicContact CD1-CE2 3.84Å; F971-Y1028 AromaticContact CD1-CG 3.85Å; F971-Y1028 HydrophobicContact CD1-CG 3.85Å; F971-Y1028 AromaticContact CD1-CZ 3.65Å; F971-Y1028 HydrophobicContact CE1-CD1 4.21Å; F971-Y1028 AromaticContact CE1-CD2 3.59Å; F971-Y1028 HydrophobicContact CE1-CD2 3.59Å; F971-Y1028 HydrophobicContact CE1-CE1 4.14Å; F971-Y1028 AromaticContact CE1-CE2 3.52Å; F971-Y1028 HydrophobicContact CE1-CE2 3.52Å; F971-Y1028 VanDerWaalsContact CE1-CE2 3.49Å; F971-Y1028 AromaticContact CE1-CG 3.8Å; F971-Y1028 HydrophobicContact CE1-CG 3.95Å; F971-Y1028 AromaticContact CE1-CZ 3.81Å; F971-Y1028 HydrophobicContact CG-CD1 4.48Å; F971-Y1028 AromaticContact CG-CE1 3.97Å; F971-Y1028 HydrophobicContact CG-CE1 4.06Å; F971-Y1028 HydrophobicContact CZ-CD2 4.44Å; F971-Y1028 HydrophobicContact CZ-CE2 4.12Å |
| 972 | A | 65 | Low | 63.6 | Low | 48.25 Ų | 48.25 | 92.2 Ų | 92.2 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | trans | -90.4 | 138.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109 | P996 Y1028 | A972-P996 HydrophobicContact CB-CG 4.05Å; A972-Y1028 WeakPolarHBondContact CA-OH 3.25Å | ||
| 973 | A | 60.1 | Low | 61.4 | Low | 22.25 Ų | 22.25 | 93.9 Ų | 93.9 | 18% | 0.184 | 51% | 0.51 | C | S | . | . | trans | -64.3 | 133.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S528 F971 S975 A995 Y1028 L1034 | S528-A973 WeakPolarHBondContact O-CB 3.3Å; F971-A973 PolarHBondContact O-N 3.15Å; A973-S975 PolarHBondContact O-N 3.23Å; A973-A995 HydrophobicContact CB-CB 3.78Å; A973-Y1028 PolarHBondContact N-OH 3.36Å; A973-L1034 HydrophobicContact CB-CD2 3.93Å | ||
| 974 | P | 52.3 | Low | 58.9 | Low | 72.5 Ų | 72.5 | 100.1 Ų | 100.1 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | trans | -59.5 | 119.6 | 170.6 | 12.6 | -18.4 | 0 | 0 | 0 | 109.9 | S976 A995 | P974-S976 VanDerWaalsContact C-N 3.29Å; P974-S976 PolarHBondContact O-N 3.02Å; P974-A995 HydrophobicContact CB-CB 4.27Å; P974-A995 HydrophobicContact CG-CB 3.94Å | ||
| 975 | S | 43.6 | Very low | 56.3 | Low | 90.75 Ų | 90.75 | 102.7 Ų | 102.7 | 64% | 0.635 | 57% | 0.567 | S | S | * | * | trans | -67.7 | 113.2 | 176.5 | -146.9 | 0 | 0 | 0 | 0 | 109.8 | A973 S977 Q1014 | A973-S975 PolarHBondContact O-N 3.23Å; S975-S977 VanDerWaalsContact C-N 3.29Å; S975-S977 PolarHBondContact O-N 3.19Å; S975-Q1014 PolarHBondContact OG-NE2 3.24Å | ||
| 976 | S | 41.5 | Very low | 54 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | trans | -70.4 | 93.7 | 168.7 | 51 | 0 | 0 | 0 | 0 | 109.1 | P974 Y978 | P974-S976 VanDerWaalsContact C-N 3.29Å; P974-S976 PolarHBondContact O-N 3.02Å; S976-Y978 PolarHBondContact O-N 3.2Å; S976-Y978 VanDerWaalsContact O-N 3.09Å | ||
| 977 | S | 36.3 | Very low | 51.4 | Low | 102.25 Ų | 102.25 | 109.6 Ų | 109.6 | 72% | 0.715 | 61% | 0.607 | S | S | * | * | trans | -61.8 | 113.2 | 175.1 | 52.3 | 0 | 0 | 0 | 0 | 110 | S975 S979 | S975-S977 VanDerWaalsContact C-N 3.29Å; S975-S977 PolarHBondContact O-N 3.19Å; S977-S979 VanDerWaalsContact C-N 3.27Å; S977-S979 PolarHBondContact O-N 3.02Å | ||
| 978 | Y | 34.5 | Very low | 48.5 | Very low | 214.5 Ų | 214.5 | 112.9 Ų | 112.9 | 84% | 0.841 | 63% | 0.631 | S | S | * | * | trans | -70.5 | 65.1 | 171.9 | -89 | -81.9 | 0 | 0 | 0 | 111.3 | S976 R980 | S976-Y978 PolarHBondContact O-N 3.2Å; S976-Y978 VanDerWaalsContact O-N 3.09Å; Y978-R980 PolarHBondContact O-N 2.97Å; Y978-R980 VanDerWaalsContact O-N 3.16Å | ||
| 979 | S | 33.3 | Very low | 45.8 | Very low | 95.5 Ų | 95.5 | 117.8 Ų | 117.8 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | trans | -87.8 | 100.5 | 169.5 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | S977 N981 | S977-S979 VanDerWaalsContact C-N 3.27Å; S977-S979 PolarHBondContact O-N 3.02Å; S979-N981 VanDerWaalsContact C-N 3.34Å; S979-N981 PolarHBondContact O-N 3.26Å; S979-N981 VanDerWaalsContact O-N 3.1Å | ||
| 980 | R | 30.1 | Very low | 42.9 | Very low | 223.5 Ų | 223.5 | 114.2 Ų | 114.2 | 84% | 0.843 | 66% | 0.663 | S | S | * | * | trans | -77.9 | 96.6 | 172.1 | -69.1 | -176.8 | -176.5 | 172.8 | 1.9 | 109.5 | Y978 P982 | Y978-R980 PolarHBondContact O-N 2.97Å; Y978-R980 VanDerWaalsContact O-N 3.16Å; R980-P982 VanDerWaalsContact O-CD 3.32Å; R980-P982 WeakPolarHBondContact O-CD 3.31Å | ||
| 981 | N | 32.5 | Very low | 40.3 | Very low | 142 Ų | 142 | 120.8 Ų | 120.8 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -138.4 | 108.4 | 153.5 | -86.2 | -16.5 | 0 | 0 | 0 | 109.7 | S979 G983 | S979-N981 VanDerWaalsContact C-N 3.34Å; S979-N981 PolarHBondContact O-N 3.26Å; S979-N981 VanDerWaalsContact O-N 3.1Å; N981-G983 VanDerWaalsContact C-N 3.28Å; N981-G983 PolarHBondContact O-N 2.92Å | ||
| 982 | P | 34.5 | Very low | 38.3 | Very low | 139.5 Ų | 139.5 | 122.5 Ų | 122.5 | 91% | 0.906 | 71% | 0.714 | S | S | * | * | trans | -81.4 | 82.9 | 175.5 | 33.5 | -33.1 | 0 | 0 | 0 | 110.2 | R980 | R980-P982 VanDerWaalsContact O-CD 3.32Å; R980-P982 WeakPolarHBondContact O-CD 3.31Å | ||
| 983 | G | 34.2 | Very low | 37 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | trans | -173.5 | 66.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | N981 | N981-G983 VanDerWaalsContact C-N 3.28Å; N981-G983 PolarHBondContact O-N 2.92Å | ||
| 984 | D | 33.5 | Very low | 36.6 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -170.7 | 122 | 145.4 | -115.6 | -27.2 | 0 | 0 | 0 | 114.6 | K986 | D984-K986 PolarHBondContact O-N 2.66Š| ||
| 985 | S | 33.9 | Very low | 36.8 | Very low | 110.25 Ų | 110.25 | 129.2 Ų | 129.2 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | trans | -109.5 | 84.4 | 171.6 | -3.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 986 | K | 36.2 | Very low | 37.9 | Very low | 194.5 Ų | 194.5 | 127.2 Ų | 127.2 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -152.5 | 124.7 | 147.9 | -88.7 | 170.4 | -179.6 | 171.8 | 0 | 111.9 | D984 S988 | D984-K986 PolarHBondContact O-N 2.66Å; K986-S988 PolarHBondContact O-N 3.1Å; K986-S988 VanDerWaalsContact O-N 3.09Å | ||
| 987 | V | 35.3 | Very low | 39.8 | Very low | 146.75 Ų | 146.75 | 128.4 Ų | 128.4 | 89% | 0.889 | 72% | 0.724 | S | S | * | * | trans | -89.3 | 103.4 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 988 | S | 30.9 | Very low | 42.3 | Very low | 105.75 Ų | 105.75 | 124.8 Ų | 124.8 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | trans | -66.4 | 131.8 | 163 | 34.2 | 0 | 0 | 0 | 0 | 112.5 | K986 G990 | K986-S988 PolarHBondContact O-N 3.1Å; K986-S988 VanDerWaalsContact O-N 3.09Å; S988-G990 VanDerWaalsContact C-N 3.34Å; S988-G990 PolarHBondContact O-N 3.06Å | ||
| 989 | K | 33.7 | Very low | 44.9 | Very low | 211.5 Ų | 211.5 | 115.1 Ų | 115.1 | 92% | 0.92 | 66% | 0.659 | S | S | * | * | trans | -66.4 | 96.2 | 171.5 | -71.3 | -178.1 | 176.8 | 179.7 | 0 | 110.2 | L991 | K989-L991 PolarHBondContact O-N 3.24Š| ||
| 990 | G | 30.2 | Very low | 47.6 | Very low | 69.25 Ų | 69.25 | 110.7 Ų | 110.7 | 71% | 0.714 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 131 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S988 | S988-G990 VanDerWaalsContact C-N 3.34Å; S988-G990 PolarHBondContact O-N 3.06Å |
| 991 | L | 33 | Very low | 50.6 | Low | 162.5 Ų | 162.5 | 101.9 Ų | 101.9 | 85% | 0.851 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -74 | 137.6 | 162.2 | -153.3 | 70.6 | 0 | 0 | 0 | 108.3 | K989 S993 | K989-L991 PolarHBondContact O-N 3.24Å; L991-S993 VanDerWaalsContact C-N 3.33Å; L991-S993 PolarHBondContact O-N 3.2Å |
| 992 | P | 38.8 | Very low | 53.4 | Low | 101.5 Ų | 101.5 | 95.4 Ų | 95.4 | 66% | 0.659 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 113.1 | -177.5 | -0.2 | 0.2 | 0 | 0 | 0 | 111.9 | H994 | P992-H994 PolarHBondContact O-N 2.92Å; P992-H994 VanDerWaalsContact O-N 3.15Å |
| 993 | S | 38.8 | Very low | 56 | Low | 101.25 Ų | 101.25 | 90.7 Ų | 90.7 | 71% | 0.708 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -74.9 | 25.5 | -170.8 | 123.6 | 0 | 0 | 0 | 0 | 114.1 | L991 | L991-S993 VanDerWaalsContact C-N 3.33Å; L991-S993 PolarHBondContact O-N 3.2Å |
| 994 | H | 50.7 | Low | 58.6 | Low | 135.75 Ų | 135.75 | 88.5 Ų | 88.5 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | trans | -114.8 | 121.3 | 175.1 | -70.6 | -73.3 | 0 | 0 | 0 | 110.7 | P992 I1015 | P992-H994 PolarHBondContact O-N 2.92Å; P992-H994 VanDerWaalsContact O-N 3.15Å; H994-I1015 HydrophobicContact CB-CB 4.46Å; H994-I1015 HydrophobicContact CB-CD1 4.17Å | ||
| 995 | A | 57.1 | Low | 61.1 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 134 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | A973 P974 K997 | A973-A995 HydrophobicContact CB-CB 3.78Å; P974-A995 HydrophobicContact CB-CB 4.27Å; P974-A995 HydrophobicContact CG-CB 3.94Å; A995-K997 PolarHBondContact O-N 3.08Å; A995-K997 VanDerWaalsContact O-N 3.14Å |
| 996 | P | 66.3 | Low | 63.6 | Low | 48 Ų | 48 | 81.1 Ų | 81.1 | 31% | 0.312 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -68 | 120.4 | 178.2 | 28.5 | -34.4 | 0 | 0 | 0 | 110.1 | A972 I998 A1012 E1013 | A972-P996 HydrophobicContact CB-CG 4.05Å; P996-I998 PolarHBondContact O-N 3.1Å; P996-A1012 HydrophobicContact CB-CB 4.2Å; P996-E1013 VanDerWaalsContact CA-O 3.3Å; P996-E1013 WeakPolarHBondContact CA-O 3.35Å; P996-E1013 VanDerWaalsContact CB-O 3.3Å; P996-E1013 WeakPolarHBondContact CB-O 3.35Å |
| 997 | K | 82.9 | Confident | 66.1 | Low | 124.25 Ų | 124.25 | 75.5 Ų | 75.5 | 54% | 0.54 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 118.5 | -174.9 | -178 | -177.8 | 179.1 | -179.5 | 0 | 110.1 | A995 L999 A1012 E1013 | A995-K997 PolarHBondContact O-N 3.08Å; A995-K997 VanDerWaalsContact O-N 3.14Å; K997-L999 HydrophobicContact CD-CD2 4.31Å; K997-L999 HydrophobicContact CG-CD2 4.36Å; K997-L999 PolarHBondContact O-N 2.82Å; K997-A1012 CarbonylContact O-C 3.5Å; K997-A1012 WeakPolarHBondContact O-CA 3.39Å; K997-E1013 HydrophobicContact CB-CB 4.01Å; K997-E1013 PolarHBondContact N-O 3.36Å; K997-E1013 WeakPolarHBondContact O-CB 3.21Å; K997-E1013 PolarHBondContact O-N 3.1Å |
| 998 | I | 87.9 | Confident | 68.8 | Low | 26.5 Ų | 26.5 | 69.2 Ų | 69.2 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 126.3 | 175.1 | -59.5 | 174 | 0 | 0 | 0 | 109.4 | R525 G529 V531 F971 P996 V1010 | R525-I998 HydrophobicContact CG-CD1 4.41Å; R525-I998 VanDerWaalsContact CZ-O 3.25Å; R525-I998 PolarHBondContact NH1-O 2.84Å; R525-I998 VanDerWaalsContact NH1-O 3.12Å; R525-I998 PolarHBondContact NH2-O 3.18Å; G529-I998 WeakPolarHBondContact O-CD1 3.37Å; V531-I998 HydrophobicContact CG2-CD1 3.64Å; F971-I998 HydrophobicContact CE2-CD1 4.04Å; F971-I998 HydrophobicContact CZ-CD1 4.01Å; P996-I998 PolarHBondContact O-N 3.1Å; I998-V1010 HydrophobicContact CD1-CG1 4.37Å; I998-V1010 HydrophobicContact CG1-CG1 4.07Å; I998-V1010 HydrophobicContact CG2-CG1 4.03Å |
| 999 | L | 88.7 | Confident | 71.7 | Confident | 11.5 Ų | 11.5 | 64.2 Ų | 64.2 | 6% | 0.06 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -39.7 | 178.5 | -57.8 | 178.6 | 0 | 0 | 0 | 111.4 | K997 I1011 E1013 A1023 A1044 L1047 S1057 A1058 | K997-L999 HydrophobicContact CD-CD2 4.31Å; K997-L999 HydrophobicContact CG-CD2 4.36Å; K997-L999 PolarHBondContact O-N 2.82Å; L999-I1011 HydrophobicContact CB-CG2 4.35Å; L999-I1011 HydrophobicContact CD1-CG2 4.43Å; L999-I1011 PolarHBondContact N-O 3.28Å; L999-E1013 HydrophobicContact CD1-CB 4.21Å; L999-E1013 HydrophobicContact CD2-CB 4.34Å; L999-E1013 HydrophobicContact CG-CB 4.29Å; L999-A1023 HydrophobicContact CD1-CB 4.47Å; L999-A1044 HydrophobicContact CD1-CB 4.21Å; L999-L1047 HydrophobicContact CD1-CB 3.96Å; L999-L1047 HydrophobicContact CD1-CD1 3.96Å; L999-S1057 PolarHBondContact O-OG 2.53Å; L999-A1058 PolarHBondContact O-N 3.13Å |
| 1000 | A | 90.7 | Very high | 74.5 | Confident | 1.5 Ų | 1.5 | 54.3 Ų | 54.3 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1010 I1011 A1058 I1060 L1070 | A1000-V1010 WeakPolarHBondContact O-CA 3.3Å; A1000-I1011 HydrophobicContact CB-CB 4.34Å; A1000-I1011 HydrophobicContact CB-CD1 4.47Å; A1000-I1011 PolarHBondContact N-O 3.03Å; A1000-I1011 PolarHBondContact O-N 3.09Å; A1000-A1058 HydrophobicContact CB-CB 4.11Å; A1000-A1058 VanDerWaalsContact CB-O 3.3Å; A1000-A1058 WeakPolarHBondContact CB-O 3.25Å; A1000-I1060 HydrophobicContact CB-CD1 3.79Å; A1000-I1060 HydrophobicContact CB-CG1 3.86Å; A1000-L1070 HydrophobicContact CB-CD1 4.49Å |
| 1001 | L | 91.8 | Very high | 77.3 | Confident | 39.6 Ų | 39.6 | 51 Ų | 51 | 21% | 0.207 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 145.1 | 176.5 | -174.5 | 147.1 | 0 | 0 | 0 | 111 | H516 V523 V531 I1008 H1009 V1010 | H516-L1001 HydrophobicContact CB-CD2 4.38Å; H516-L1001 PolarHBondContact CE1-O 3.08Å; V523-L1001 HydrophobicContact CG1-CD2 4.15Å; V531-L1001 HydrophobicContact CG1-CD1 4.09Å; V531-L1001 HydrophobicContact CG2-CD1 3.88Å; L1001-I1008 HydrophobicContact CD1-CG2 4Å; L1001-I1008 HydrophobicContact CD2-CG2 4.25Å; L1001-I1008 HydrophobicContact CG-CG2 4.01Å; L1001-H1009 CarbonylContact C-O 3.53Å; L1001-H1009 VanDerWaalsContact CA-O 3.29Å; L1001-H1009 WeakPolarHBondContact CA-O 3.37Å; L1001-V1010 HydrophobicContact CD1-CG2 4.24Å; L1001-V1010 HydrophobicContact CG-CG2 4.38Å |
| 1002 | A | 91.3 | Very high | 80 | Confident | 4.8 Ų | 4.8 | 43.3 Ų | 43.3 | 4% | 0.04 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 160.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1009 I1060 C1062 | A1002-H1009 HydrophobicContact CB-CB 4.43Å; A1002-H1009 PolarHBondContact N-O 3.12Å; A1002-H1009 PolarHBondContact O-N 3.2Å; A1002-I1060 HydrophobicContact CB-CB 3.78Å; A1002-I1060 HydrophobicContact CB-CG2 3.57Å; A1002-C1062 HydrophobicContact CB-CB 4.09Å |
| 1003 | T | 90.7 | Very high | 82.2 | Confident | 41.6 Ų | 41.6 | 38.9 Ų | 38.9 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.8 | -179.5 | 152 | 0 | 0 | 0 | 0 | 112.1 | H516 A518 V523 R1007 C1062 | H516-T1003 HydrophobicContact CB-CG2 3.86Å; A518-T1003 HydrophobicContact CB-CG2 4Å; V523-T1003 HydrophobicContact CB-CG2 4.48Å; V523-T1003 HydrophobicContact CG2-CG2 4.3Å; V523-T1003 VanDerWaalsContact CG2-OG1 3.29Å; V523-T1003 WeakPolarHBondContact CG2-OG1 3.26Å; T1003-R1007 PolarHBondContact OG1-O 3.02Å; T1003-C1062 PolarHBondContact O-SG 2.87Å; T1003-C1062 VanDerWaalsContact O-SG 3.34Å |
| 1004 | E | 88 | Confident | 84 | Confident | 20.2 Ų | 20.2 | 36.1 Ų | 36.1 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | trans | -105.5 | 171.4 | 164.2 | -104 | -172 | 168.8 | 0 | 0 | 108.9 | S1006 R1007 H1009 S1064 E1065 H1066 | E1004-S1006 PolarHBondContact O-N 3.13Å; E1004-S1006 VanDerWaalsContact O-N 3.15Å; E1004-R1007 HydrophobicContact CB-CB 4.36Å; E1004-R1007 PolarHBondContact N-O 3.02Å; E1004-R1007 PolarHBondContact O-N 3.15Å; E1004-R1007 VanDerWaalsContact O-N 3.07Å; E1004-R1007 VanDerWaalsContact O-O 3.07Å; E1004-R1007 WeakPolarHBondContact OE2-CB 3.33Å; E1004-R1007 VanDerWaalsContact OE2-CD 3.28Å; E1004-R1007 WeakPolarHBondContact OE2-CD 3.3Å; E1004-R1007 WeakPolarHBondContact OE2-CG 3.39Å; E1004-R1007 IonicContact OE2-CZ 3.26Å; E1004-R1007 IonicContact OE2-NE 3.81Å; E1004-R1007 PolarHBondContact OE2-NE 2.98Å; E1004-R1007 IonicContact OE2-NH1 3.64Å; E1004-H1009 VanDerWaalsContact CB-NE2 3.33Å; E1004-H1009 WeakPolarHBondContact CB-NE2 3.48Å; E1004-H1009 WeakPolarHBondContact CG-NE2 3.35Å; E1004-H1009 IonicContact OE1-NE2 3.42Å; E1004-H1009 IonicContact OE2-CE1 3.91Å; E1004-H1009 IonicContact OE2-NE2 3.13Å; E1004-H1009 PolarHBondContact OE2-NE2 2.83Å; E1004-S1064 CarbonylContact C-O 3.49Å; E1004-S1064 WeakPolarHBondContact CA-O 3.41Å; E1004-S1064 WeakPolarHBondContact CB-O 3.24Å; E1004-S1064 VanDerWaalsContact CG-O 3.22Å; E1004-S1064 WeakPolarHBondContact CG-O 3.3Å; E1004-E1065 WeakPolarHBondContact OE1-CA 3.45Å; E1004-H1066 IonicContact OE1-CD2 3.3Å; E1004-H1066 PolarHBondContact OE1-CD2 3.25Å; E1004-H1066 VanDerWaalsContact OE1-CD2 3.27Å; E1004-H1066 IonicContact OE1-CG 3.56Å; E1004-H1066 PolarHBondContact OE1-N 3.09Å; E1004-H1066 IonicContact OE1-NE2 2.83Å; E1004-H1066 IonicContact OE2-NE2 2.7Å | ||
| 1005 | N | 85.7 | Confident | 84.9 | Confident | 61.6 Ų | 61.6 | 33.9 Ų | 33.9 | 33% | 0.329 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -54.6 | -18.9 | 176.2 | -74.7 | -30.7 | 0 | 0 | 0 | 115.8 | P519 L520 S1064 E1065 | P519-N1005 WeakPolarHBondContact CD-OD1 3.23Å; L520-N1005 HydrophobicContact CB-CB 4.38Å; L520-N1005 WeakPolarHBondContact CB-OD1 3.25Å; L520-N1005 HydrophobicContact CD1-CB 4.19Å; L520-N1005 HydrophobicContact CG-CB 4.31Å; L520-N1005 PolarHBondContact N-OD1 3.25Å; N1005-S1064 VanDerWaalsContact CG-O 3.28Å; N1005-S1064 PolarHBondContact N-O 3.14Å; N1005-S1064 PolarHBondContact ND2-O 2.95Å; N1005-S1064 WeakPolarHBondContact OD1-CB 3.28Å; N1005-S1064 PolarHBondContact OD1-O 3.3Å; N1005-E1065 WeakPolarHBondContact ND2-CG 3.33Å; N1005-E1065 PolarHBondContact ND2-OE1 3.48Å |
| 1006 | S | 86.2 | Confident | 85.1 | Confident | 48.4 Ų | 48.4 | 34.7 Ų | 34.7 | 34% | 0.338 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -138.9 | -1.8 | -179.5 | 68.7 | 0 | 0 | 0 | 0 | 115.6 | E1004 | E1004-S1006 PolarHBondContact O-N 3.13Å; E1004-S1006 VanDerWaalsContact O-N 3.15Å |
| 1007 | R | 89.9 | Confident | 84.6 | Confident | 76.8 Ų | 76.8 | 37 Ų | 37 | 29% | 0.29 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.7 | -171.5 | -54.4 | -176 | -170.1 | 172.6 | 0.1 | 111.5 | T1003 E1004 V1027 Y1028 I1035 | T1003-R1007 PolarHBondContact OG1-O 3.02Å; E1004-R1007 HydrophobicContact CB-CB 4.36Å; E1004-R1007 PolarHBondContact N-O 3.02Å; E1004-R1007 PolarHBondContact O-N 3.15Å; E1004-R1007 VanDerWaalsContact O-N 3.07Å; E1004-R1007 VanDerWaalsContact O-O 3.07Å; E1004-R1007 WeakPolarHBondContact OE2-CB 3.33Å; E1004-R1007 VanDerWaalsContact OE2-CD 3.28Å; E1004-R1007 WeakPolarHBondContact OE2-CD 3.3Å; E1004-R1007 WeakPolarHBondContact OE2-CG 3.39Å; E1004-R1007 IonicContact OE2-CZ 3.26Å; E1004-R1007 IonicContact OE2-NE 3.81Å; E1004-R1007 PolarHBondContact OE2-NE 2.98Å; E1004-R1007 IonicContact OE2-NH1 3.64Å; R1007-V1027 HydrophobicContact CB-CG1 3.88Å; R1007-V1027 HydrophobicContact CG-CG1 4.33Å; R1007-Y1028 CarbonylContact C-O 3.57Å; R1007-Y1028 VanDerWaalsContact CA-O 3.28Å; R1007-Y1028 WeakPolarHBondContact CA-O 3.39Å; R1007-I1035 HydrophobicContact CG-CD1 4.14Å |
| 1008 | I | 92.4 | Very high | 83.5 | Confident | 13.2 Ų | 13.2 | 33.1 Ų | 33.1 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.9 | 172.8 | -56.1 | 170.8 | 0 | 0 | 0 | 107.2 | V523 V531 V970 L1001 V1010 V1027 Y1028 L1030 | V523-I1008 HydrophobicContact CG1-CD1 3.84Å; V523-I1008 HydrophobicContact CG1-CG1 4.36Å; V523-I1008 HydrophobicContact CG1-CG2 4.46Å; V523-I1008 HydrophobicContact CG2-CD1 3.85Å; V523-I1008 HydrophobicContact CG2-CG1 4.06Å; V531-I1008 HydrophobicContact CG1-CD1 4.25Å; V970-I1008 HydrophobicContact CG1-CD1 4.32Å; V970-I1008 HydrophobicContact CG2-CD1 3.82Å; L1001-I1008 HydrophobicContact CD1-CG2 4Å; L1001-I1008 HydrophobicContact CD2-CG2 4.25Å; L1001-I1008 HydrophobicContact CG-CG2 4.01Å; I1008-V1010 HydrophobicContact CG2-CG2 4Å; I1008-V1027 CarbonylContact O-C 3.56Å; I1008-V1027 WeakPolarHBondContact O-CA 3.35Å; I1008-Y1028 PolarHBondContact N-O 3.18Å; I1008-Y1028 PolarHBondContact O-N 2.96Å; I1008-L1030 HydrophobicContact CD1-CD2 3.78Å; I1008-L1030 HydrophobicContact CG1-CD2 4.12Å |
| 1009 | H | 91.4 | Very high | 81.9 | Confident | 0.8 Ų | 0.8 | 37.4 Ų | 37.4 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.4 | 177.5 | -56.2 | -93.6 | 0 | 0 | 0 | 108.5 | L1001 A1002 E1004 Y1025 V1027 H1066 L1068 | L1001-H1009 CarbonylContact C-O 3.53Å; L1001-H1009 VanDerWaalsContact CA-O 3.29Å; L1001-H1009 WeakPolarHBondContact CA-O 3.37Å; A1002-H1009 HydrophobicContact CB-CB 4.43Å; A1002-H1009 PolarHBondContact N-O 3.12Å; A1002-H1009 PolarHBondContact O-N 3.2Å; E1004-H1009 VanDerWaalsContact CB-NE2 3.33Å; E1004-H1009 WeakPolarHBondContact CB-NE2 3.48Å; E1004-H1009 WeakPolarHBondContact CG-NE2 3.35Å; E1004-H1009 IonicContact OE1-NE2 3.42Å; E1004-H1009 IonicContact OE2-CE1 3.91Å; E1004-H1009 IonicContact OE2-NE2 3.13Å; E1004-H1009 PolarHBondContact OE2-NE2 2.83Å; H1009-Y1025 HydrophobicContact CB-CE2 4.27Å; H1009-Y1025 AromaticContact ND1-CZ 3.85Å; H1009-Y1025 PolarHBondContact ND1-OH 3.13Å; H1009-V1027 WeakPolarHBondContact ND1-CG2 3.35Å; H1009-H1066 AromaticContact CE1-CE1 3.89Å; H1009-H1066 AromaticContact CE1-NE2 3.58Å; H1009-L1068 HydrophobicContact CB-CD1 4.38Å |
| 1010 | V | 91.3 | Very high | 80.6 | Confident | 3.4 Ų | 3.4 | 41 Ų | 41 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.1 | -175.4 | -175.4 | 0 | 0 | 0 | 0 | 108 | F971 I998 A1000 L1001 I1008 A1012 Q1026 Y1028 | F971-V1010 HydrophobicContact CE1-CG2 4.24Å; F971-V1010 HydrophobicContact CZ-CG1 4.49Å; F971-V1010 HydrophobicContact CZ-CG2 4.22Å; I998-V1010 HydrophobicContact CD1-CG1 4.37Å; I998-V1010 HydrophobicContact CG1-CG1 4.07Å; I998-V1010 HydrophobicContact CG2-CG1 4.03Å; A1000-V1010 WeakPolarHBondContact O-CA 3.3Å; L1001-V1010 HydrophobicContact CD1-CG2 4.24Å; L1001-V1010 HydrophobicContact CG-CG2 4.38Å; I1008-V1010 HydrophobicContact CG2-CG2 4Å; V1010-A1012 HydrophobicContact CG1-CB 4.34Å; V1010-Q1026 HydrophobicContact CB-CB 4.34Å; V1010-Q1026 PolarHBondContact N-O 2.99Å; V1010-Q1026 PolarHBondContact O-N 3.06Å; V1010-Q1026 VanDerWaalsContact O-O 3.11Å; V1010-Y1028 HydrophobicContact CB-CE2 4.41Å; V1010-Y1028 HydrophobicContact CG2-CD2 3.97Å; V1010-Y1028 HydrophobicContact CG2-CE2 4.13Å |
| 1011 | I | 90.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.7 | 162.9 | -63.8 | 171.6 | 0 | 0 | 0 | 107.1 | L999 A1000 A1023 L1024 Y1025 M1040 L1047 I1060 L1070 | L999-I1011 HydrophobicContact CB-CG2 4.35Å; L999-I1011 HydrophobicContact CD1-CG2 4.43Å; L999-I1011 PolarHBondContact N-O 3.28Å; A1000-I1011 HydrophobicContact CB-CB 4.34Å; A1000-I1011 HydrophobicContact CB-CD1 4.47Å; A1000-I1011 PolarHBondContact N-O 3.03Å; A1000-I1011 PolarHBondContact O-N 3.09Å; I1011-A1023 HydrophobicContact CG2-CB 4.18Å; I1011-L1024 WeakPolarHBondContact CA-O 3.4Å; I1011-Y1025 HydrophobicContact CG1-CD2 4.06Å; I1011-M1040 HydrophobicContact CD1-CE 4.24Å; I1011-M1040 HydrophobicContact CD1-SD 4.05Å; I1011-M1040 HydrophobicContact CG1-SD 4.21Å; I1011-M1040 HydrophobicContact CG2-SD 3.75Å; I1011-L1047 HydrophobicContact CG2-CD1 3.79Å; I1011-I1060 HydrophobicContact CD1-CD1 3.87Å; I1011-I1060 HydrophobicContact CD1-CG1 4.29Å; I1011-I1060 HydrophobicContact CG1-CD1 4.05Å; I1011-L1070 HydrophobicContact CD1-CD1 3.6Å; I1011-L1070 HydrophobicContact CD1-CD2 3.65Å; I1011-L1070 HydrophobicContact CD1-CG 4.24Å |
| 1012 | A | 88.3 | Confident | 78.9 | Confident | 1.2 Ų | 1.2 | 42.6 Ų | 42.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P996 K997 V1010 A1023 L1024 | P996-A1012 HydrophobicContact CB-CB 4.2Å; K997-A1012 CarbonylContact O-C 3.5Å; K997-A1012 WeakPolarHBondContact O-CA 3.39Å; V1010-A1012 HydrophobicContact CG1-CB 4.34Å; A1012-A1023 CarbonylContact O-C 3.54Å; A1012-A1023 WeakPolarHBondContact O-CA 3.42Å; A1012-L1024 PolarHBondContact N-O 3.06Å; A1012-L1024 PolarHBondContact O-N 3Å |
| 1013 | E | 85.5 | Confident | 78.6 | Confident | 9.4 Ų | 9.4 | 42.4 Ų | 42.4 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.7 | 177.9 | -169.6 | 174.9 | 157.3 | 0 | 0 | 110.8 | P996 K997 L999 I1015 Q1021 A1044 K1048 | P996-E1013 VanDerWaalsContact CA-O 3.3Å; P996-E1013 WeakPolarHBondContact CA-O 3.35Å; P996-E1013 VanDerWaalsContact CB-O 3.3Å; P996-E1013 WeakPolarHBondContact CB-O 3.35Å; K997-E1013 HydrophobicContact CB-CB 4.01Å; K997-E1013 PolarHBondContact N-O 3.36Å; K997-E1013 WeakPolarHBondContact O-CB 3.21Å; K997-E1013 PolarHBondContact O-N 3.1Å; L999-E1013 HydrophobicContact CD1-CB 4.21Å; L999-E1013 HydrophobicContact CD2-CB 4.34Å; L999-E1013 HydrophobicContact CG-CB 4.29Å; E1013-I1015 HydrophobicContact CG-CG1 4.45Å; E1013-Q1021 HydrophobicContact CG-CB 4.34Å; E1013-Q1021 VanDerWaalsContact OE1-CD 3.31Å; E1013-Q1021 PolarHBondContact OE1-OE1 2.97Å; E1013-A1044 HydrophobicContact CB-CB 4.47Å; E1013-A1044 HydrophobicContact CG-CB 4.04Å; E1013-K1048 VanDerWaalsContact CD-CE 3.43Å; E1013-K1048 VanDerWaalsContact CD-NZ 3.26Å; E1013-K1048 WeakPolarHBondContact OE1-CE 3.38Å; E1013-K1048 IonicContact OE1-NZ 3.29Å; E1013-K1048 PolarHBondContact OE1-NZ 2.92Å; E1013-K1048 VanDerWaalsContact OE2-CE 3.31Å; E1013-K1048 WeakPolarHBondContact OE2-CE 3.43Å; E1013-K1048 IonicContact OE2-NZ 3.52Å; E1013-K1048 PolarHBondContact OE2-NZ 3.13Å; E1013-K1048 VanDerWaalsContact OE2-NZ 3.11Å |
| 1014 | Q | 77.6 | Confident | 78.4 | Confident | 43.4 Ų | 43.4 | 41.3 Ų | 41.3 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.6 | 170.6 | 179.1 | 172.9 | -1.2 | 0 | 0 | 109.5 | S975 D1016 S1022 L1024 K1039 | S975-Q1014 PolarHBondContact OG-NE2 3.24Å; Q1014-D1016 VanDerWaalsContact C-N 3.3Å; Q1014-D1016 VanDerWaalsContact CD-OD2 3.31Å; Q1014-D1016 WeakPolarHBondContact CG-OD1 3.29Å; Q1014-D1016 VanDerWaalsContact NE2-CG 3.27Å; Q1014-D1016 PolarHBondContact NE2-OD1 3.16Å; Q1014-D1016 PolarHBondContact NE2-OD2 3.05Å; Q1014-D1016 VanDerWaalsContact NE2-OD2 3.13Å; Q1014-D1016 PolarHBondContact O-N 3.17Å; Q1014-D1016 VanDerWaalsContact O-N 3.15Å; Q1014-S1022 VanDerWaalsContact CB-O 3.31Å; Q1014-S1022 WeakPolarHBondContact CB-O 3.35Å; Q1014-S1022 PolarHBondContact N-O 3.11Å; Q1014-S1022 PolarHBondContact O-N 3.1Å; Q1014-S1022 PolarHBondContact OE1-OG 3.01Å; Q1014-L1024 HydrophobicContact CB-CD1 3.89Å; Q1014-L1024 HydrophobicContact CB-CG 4.02Å; Q1014-L1024 HydrophobicContact CG-CD1 4.22Å; Q1014-K1039 VanDerWaalsContact OE1-NZ 3.11Å |
| 1015 | I | 68.2 | Low | 78.5 | Confident | 88.4 Ų | 88.4 | 40.4 Ų | 40.4 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | trans | -86.9 | 75.4 | 174.5 | -51.8 | 173.5 | 0 | 0 | 0 | 108 | H994 E1013 | H994-I1015 HydrophobicContact CB-CB 4.46Å; H994-I1015 HydrophobicContact CB-CD1 4.17Å; E1013-I1015 HydrophobicContact CG-CG1 4.45Å | ||
| 1016 | D | 62.2 | Low | 78.7 | Confident | 63.8 Ų | 63.8 | 37.9 Ų | 37.9 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | trans | -74 | 141.7 | 160.4 | -66.1 | -30.7 | 0 | 0 | 0 | 108 | Q1014 G1018 S1022 K1039 | Q1014-D1016 VanDerWaalsContact C-N 3.3Å; Q1014-D1016 VanDerWaalsContact CD-OD2 3.31Å; Q1014-D1016 WeakPolarHBondContact CG-OD1 3.29Å; Q1014-D1016 VanDerWaalsContact NE2-CG 3.27Å; Q1014-D1016 PolarHBondContact NE2-OD1 3.16Å; Q1014-D1016 PolarHBondContact NE2-OD2 3.05Å; Q1014-D1016 VanDerWaalsContact NE2-OD2 3.13Å; Q1014-D1016 PolarHBondContact O-N 3.17Å; Q1014-D1016 VanDerWaalsContact O-N 3.15Å; D1016-G1018 PolarHBondContact O-N 2.93Å; D1016-S1022 PolarHBondContact OD2-OG 3.17Å; D1016-K1039 IonicContact OD2-NZ 3.26Å; D1016-K1039 PolarHBondContact OD2-NZ 3.19Å | ||
| 1017 | G | 55.7 | Low | 78.9 | Confident | 96.2 Ų | 96.2 | 35.6 Ų | 35.6 | 99% | 0.992 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -71.2 | 25.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1018 | G | 59.2 | Low | 78.9 | Confident | 41.8 Ų | 41.8 | 32.8 Ų | 32.8 | 43% | 0.431 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -111.3 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1016 H1020 | D1016-G1018 PolarHBondContact O-N 2.93Å; G1018-H1020 VanDerWaalsContact C-N 3.29Å; G1018-H1020 PolarHBondContact O-N 3.06Å; G1018-H1020 VanDerWaalsContact O-N 3.11Å |
| 1019 | P | 55.6 | Low | 78.9 | Confident | 118.4 Ų | 118.4 | 33.8 Ų | 33.8 | 77% | 0.769 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -68.6 | -10.4 | -176.7 | 26.9 | -34.6 | 0 | 0 | 0 | 114.6 | ||
| 1020 | H | 59.8 | Low | 78.8 | Confident | 86.6 Ų | 86.6 | 35.9 Ų | 35.9 | 40% | 0.401 | 22% | 0.223 | S | C | . | . | trans | -113.8 | 94.4 | -178 | -67.2 | -76.3 | 0 | 0 | 0 | 111.8 | G1018 S1022 S1420 | G1018-H1020 VanDerWaalsContact C-N 3.29Å; G1018-H1020 PolarHBondContact O-N 3.06Å; G1018-H1020 VanDerWaalsContact O-N 3.11Å; H1020-S1022 PolarHBondContact O-N 3.03Å; H1020-S1420 PolarHBondContact CE1-O 3.16Å; H1020-S1420 VanDerWaalsContact CE1-O 3.24Å; H1020-S1420 PolarHBondContact CE1-OG 2.75Å; H1020-S1420 WeakPolarHBondContact NE2-CB 3.47Å; H1020-S1420 PolarHBondContact NE2-O 2.78Å; H1020-S1420 VanDerWaalsContact NE2-O 3.07Å | ||
| 1021 | Q | 71.9 | Confident | 78.6 | Confident | 66 Ų | 66 | 38.1 Ų | 38.1 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -63.1 | 124.8 | 167.1 | -69.9 | 150.9 | -7.4 | 0 | 0 | 109.5 | E1013 S1043 A1044 | E1013-Q1021 HydrophobicContact CG-CB 4.34Å; E1013-Q1021 VanDerWaalsContact OE1-CD 3.31Å; E1013-Q1021 PolarHBondContact OE1-OE1 2.97Å; Q1021-S1043 PolarHBondContact O-OG 2.79Å; Q1021-A1044 HydrophobicContact CB-CB 4.02Å; Q1021-A1044 VanDerWaalsContact O-CB 3.29Å; Q1021-A1044 WeakPolarHBondContact O-CB 3.42Å; Q1021-A1044 PolarHBondContact O-N 3.26Å |
| 1022 | S | 76.7 | Confident | 78.4 | Confident | 9.6 Ų | 9.6 | 39.3 Ų | 39.3 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 150.4 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | Q1014 D1016 H1020 K1039 | Q1014-S1022 VanDerWaalsContact CB-O 3.31Å; Q1014-S1022 WeakPolarHBondContact CB-O 3.35Å; Q1014-S1022 PolarHBondContact N-O 3.11Å; Q1014-S1022 PolarHBondContact O-N 3.1Å; Q1014-S1022 PolarHBondContact OE1-OG 3.01Å; D1016-S1022 PolarHBondContact OD2-OG 3.17Å; H1020-S1022 PolarHBondContact O-N 3.03Å; S1022-K1039 VanDerWaalsContact CB-CE 3.45Å; S1022-K1039 VanDerWaalsContact OG-CE 3.26Å; S1022-K1039 WeakPolarHBondContact OG-CE 3.35Å; S1022-K1039 PolarHBondContact OG-NZ 3.14Å |
| 1023 | A | 84.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L999 I1011 A1012 M1040 A1044 L1047 | L999-A1023 HydrophobicContact CD1-CB 4.47Å; I1011-A1023 HydrophobicContact CG2-CB 4.18Å; A1012-A1023 CarbonylContact O-C 3.54Å; A1012-A1023 WeakPolarHBondContact O-CA 3.42Å; A1023-M1040 HydrophobicContact CB-CB 4.07Å; A1023-M1040 HydrophobicContact CB-CG 3.95Å; A1023-M1040 HydrophobicContact CB-SD 3.79Å; A1023-M1040 WeakPolarHBondContact CB-SD 3.21Å; A1023-M1040 WeakPolarHBondContact O-CB 3.31Å; A1023-M1040 WeakPolarHBondContact O-CG 3.39Å; A1023-M1040 PolarHBondContact O-N 2.9Å; A1023-A1044 HydrophobicContact CB-CB 4.37Å; A1023-L1047 HydrophobicContact CB-CD1 3.7Å |
| 1024 | L | 87.2 | Confident | 78.6 | Confident | 17.4 Ų | 17.4 | 48.7 Ų | 48.7 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128 | 171.3 | -72.2 | 169.7 | 0 | 0 | 0 | 109.2 | I1011 A1012 Q1014 Q1026 Q1038 K1039 | I1011-L1024 WeakPolarHBondContact CA-O 3.4Å; A1012-L1024 PolarHBondContact N-O 3.06Å; A1012-L1024 PolarHBondContact O-N 3Å; Q1014-L1024 HydrophobicContact CB-CD1 3.89Å; Q1014-L1024 HydrophobicContact CB-CG 4.02Å; Q1014-L1024 HydrophobicContact CG-CD1 4.22Å; L1024-Q1026 HydrophobicContact CB-CG 4.3Å; L1024-Q1038 CarbonylContact C-O 3.35Å; L1024-Q1038 WeakPolarHBondContact CA-O 3.41Å; L1024-K1039 HydrophobicContact CD2-CB 4.28Å |
| 1025 | Y | 88.5 | Confident | 79 | Confident | 1.6 Ų | 1.6 | 49.5 Ų | 49.5 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122 | 163 | 177.6 | -115.1 | 0 | 0 | 0 | 109.4 | H1009 I1011 V1027 I1036 N1037 Q1038 F1080 P1082 W1092 | H1009-Y1025 HydrophobicContact CB-CE2 4.27Å; H1009-Y1025 AromaticContact ND1-CZ 3.85Å; H1009-Y1025 PolarHBondContact ND1-OH 3.13Å; I1011-Y1025 HydrophobicContact CG1-CD2 4.06Å; Y1025-V1027 HydrophobicContact CD1-CG2 4.35Å; Y1025-V1027 HydrophobicContact CE1-CG2 3.57Å; Y1025-V1027 VanDerWaalsContact CE1-CG2 3.48Å; Y1025-V1027 HydrophobicContact CE2-CG2 4.17Å; Y1025-V1027 VanDerWaalsContact CZ-CG2 3.4Å; Y1025-V1027 WeakPolarHBondContact OH-CG2 3.38Å; Y1025-I1036 HydrophobicContact CD1-CG2 4.21Å; Y1025-I1036 HydrophobicContact CE1-CG2 4.32Å; Y1025-N1037 WeakPolarHBondContact O-CA 3.41Å; Y1025-Q1038 PolarHBondContact N-O 3.01Å; Y1025-Q1038 PolarHBondContact O-N 3.23Å; Y1025-F1080 HydrophobicContact CD1-CE2 4.27Å; Y1025-F1080 AromaticContact CD1-CZ 3.94Å; Y1025-F1080 HydrophobicContact CD1-CZ 4.01Å; Y1025-F1080 HydrophobicContact CD2-CE1 4.29Å; Y1025-F1080 AromaticContact CD2-CE2 3.99Å; Y1025-F1080 HydrophobicContact CD2-CE2 4.21Å; Y1025-F1080 AromaticContact CD2-CZ 3.73Å; Y1025-F1080 HydrophobicContact CD2-CZ 3.73Å; Y1025-F1080 HydrophobicContact CE1-CE2 4.43Å; Y1025-F1080 AromaticContact CE1-CZ 3.94Å; Y1025-F1080 HydrophobicContact CE1-CZ 4.1Å; Y1025-F1080 AromaticContact CE2-CE1 3.99Å; Y1025-F1080 HydrophobicContact CE2-CE1 4.08Å; Y1025-F1080 AromaticContact CE2-CE2 3.95Å; Y1025-F1080 HydrophobicContact CE2-CE2 4.04Å; Y1025-F1080 AromaticContact CE2-CZ 3.55Å; Y1025-F1080 HydrophobicContact CE2-CZ 3.55Å; Y1025-F1080 VanDerWaalsContact CE2-CZ 3.45Å; Y1025-F1080 HydrophobicContact CG-CE2 4.32Å; Y1025-F1080 AromaticContact CG-CZ 3.83Å; Y1025-F1080 HydrophobicContact CG-CZ 3.83Å; Y1025-F1080 AromaticContact CZ-CZ 3.72Å; Y1025-P1082 HydrophobicContact CE1-CB 3.9Å; Y1025-P1082 HydrophobicContact CE1-CG 4.34Å; Y1025-P1082 WeakPolarHBondContact OH-CB 3.36Å; Y1025-P1082 WeakPolarHBondContact OH-CG 3.39Å; Y1025-W1092 HydrophobicContact CD1-CH2 4.36Å; Y1025-W1092 HydrophobicContact CD1-CZ2 4.47Å; Y1025-W1092 HydrophobicContact CG-CH2 4.26Å; Y1025-W1092 HydrophobicContact CG-CZ2 4.47Å |
| 1026 | Q | 89.4 | Confident | 79.9 | Confident | 9.6 Ų | 9.6 | 46 Ų | 46 | 5% | 0.045 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.8 | -177.8 | -69 | -177.6 | -11.9 | 0 | 0 | 110.5 | V1010 L1024 Y1028 L1034 I1036 N1037 | V1010-Q1026 HydrophobicContact CB-CB 4.34Å; V1010-Q1026 PolarHBondContact N-O 2.99Å; V1010-Q1026 PolarHBondContact O-N 3.06Å; V1010-Q1026 VanDerWaalsContact O-O 3.11Å; L1024-Q1026 HydrophobicContact CB-CG 4.3Å; Q1026-Y1028 HydrophobicContact CB-CD2 4.42Å; Q1026-Y1028 HydrophobicContact CB-CE2 3.77Å; Q1026-Y1028 PolarHBondContact OE1-OH 3.16Å; Q1026-Y1028 VanDerWaalsContact OE1-OH 3.13Å; Q1026-L1034 HydrophobicContact CB-CD1 3.95Å; Q1026-L1034 HydrophobicContact CG-CD1 4.16Å; Q1026-I1036 CarbonylContact C-O 3.52Å; Q1026-I1036 VanDerWaalsContact CA-O 3.29Å; Q1026-I1036 WeakPolarHBondContact CA-O 3.28Å; Q1026-N1037 HydrophobicContact CG-CB 4.46Å; Q1026-N1037 VanDerWaalsContact CG-OD1 3.28Å; Q1026-N1037 WeakPolarHBondContact CG-OD1 3.36Å; Q1026-N1037 PolarHBondContact NE2-OD1 3.12Å |
| 1027 | V | 90.5 | Very high | 81 | Confident | 0.4 Ų | 0.4 | 46.9 Ų | 46.9 | 0% | 0.002 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.9 | 173.3 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | R1007 I1008 H1009 Y1025 I1035 I1036 | R1007-V1027 HydrophobicContact CB-CG1 3.88Å; R1007-V1027 HydrophobicContact CG-CG1 4.33Å; I1008-V1027 CarbonylContact O-C 3.56Å; I1008-V1027 WeakPolarHBondContact O-CA 3.35Å; H1009-V1027 WeakPolarHBondContact ND1-CG2 3.35Å; Y1025-V1027 HydrophobicContact CD1-CG2 4.35Å; Y1025-V1027 HydrophobicContact CE1-CG2 3.57Å; Y1025-V1027 VanDerWaalsContact CE1-CG2 3.48Å; Y1025-V1027 HydrophobicContact CE2-CG2 4.17Å; Y1025-V1027 VanDerWaalsContact CZ-CG2 3.4Å; Y1025-V1027 WeakPolarHBondContact OH-CG2 3.38Å; V1027-I1035 HydrophobicContact CG1-CD1 4.22Å; V1027-I1035 WeakPolarHBondContact O-CA 3.32Å; V1027-I1035 VanDerWaalsContact O-CB 3.3Å; V1027-I1035 WeakPolarHBondContact O-CB 3.24Å; V1027-I1035 WeakPolarHBondContact O-CG1 3.36Å; V1027-I1035 PolarHBondContact O-N 3.17Å; V1027-I1036 HydrophobicContact CB-CB 3.99Å; V1027-I1036 HydrophobicContact CB-CD1 4.27Å; V1027-I1036 HydrophobicContact CB-CG1 4.3Å; V1027-I1036 HydrophobicContact CG2-CB 4.01Å; V1027-I1036 HydrophobicContact CG2-CD1 4.02Å; V1027-I1036 HydrophobicContact CG2-CG1 4.4Å; V1027-I1036 PolarHBondContact N-O 3.1Å; V1027-I1036 PolarHBondContact O-N 3.13Å |
| 1028 | Y | 91.3 | Very high | 82.3 | Confident | 17.8 Ų | 17.8 | 44.2 Ų | 44.2 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 148.1 | 177.1 | -64.4 | -97.8 | 0 | 0 | 0 | 110 | V970 F971 A972 A973 R1007 I1008 V1010 Q1026 K1033 L1034 | V970-Y1028 HydrophobicContact CG1-CD1 4.14Å; V970-Y1028 HydrophobicContact CG1-CE1 4.07Å; V970-Y1028 HydrophobicContact CG1-CG 4.18Å; F971-Y1028 HydrophobicContact CB-CE1 4.26Å; F971-Y1028 AromaticContact CD1-CD1 3.67Å; F971-Y1028 HydrophobicContact CD1-CD1 3.67Å; F971-Y1028 AromaticContact CD1-CD2 3.93Å; F971-Y1028 HydrophobicContact CD1-CD2 3.93Å; F971-Y1028 AromaticContact CD1-CE1 3.56Å; F971-Y1028 HydrophobicContact CD1-CE1 3.56Å; F971-Y1028 AromaticContact CD1-CE2 3.84Å; F971-Y1028 HydrophobicContact CD1-CE2 3.84Å; F971-Y1028 AromaticContact CD1-CG 3.85Å; F971-Y1028 HydrophobicContact CD1-CG 3.85Å; F971-Y1028 AromaticContact CD1-CZ 3.65Å; F971-Y1028 HydrophobicContact CE1-CD1 4.21Å; F971-Y1028 AromaticContact CE1-CD2 3.59Å; F971-Y1028 HydrophobicContact CE1-CD2 3.59Å; F971-Y1028 HydrophobicContact CE1-CE1 4.14Å; F971-Y1028 AromaticContact CE1-CE2 3.52Å; F971-Y1028 HydrophobicContact CE1-CE2 3.52Å; F971-Y1028 VanDerWaalsContact CE1-CE2 3.49Å; F971-Y1028 AromaticContact CE1-CG 3.8Å; F971-Y1028 HydrophobicContact CE1-CG 3.95Å; F971-Y1028 AromaticContact CE1-CZ 3.81Å; F971-Y1028 HydrophobicContact CG-CD1 4.48Å; F971-Y1028 AromaticContact CG-CE1 3.97Å; F971-Y1028 HydrophobicContact CG-CE1 4.06Å; F971-Y1028 HydrophobicContact CZ-CD2 4.44Å; F971-Y1028 HydrophobicContact CZ-CE2 4.12Å; A972-Y1028 WeakPolarHBondContact CA-OH 3.25Å; A973-Y1028 PolarHBondContact N-OH 3.36Å; R1007-Y1028 CarbonylContact C-O 3.57Å; R1007-Y1028 VanDerWaalsContact CA-O 3.28Å; R1007-Y1028 WeakPolarHBondContact CA-O 3.39Å; I1008-Y1028 PolarHBondContact N-O 3.18Å; I1008-Y1028 PolarHBondContact O-N 2.96Å; V1010-Y1028 HydrophobicContact CB-CE2 4.41Å; V1010-Y1028 HydrophobicContact CG2-CD2 3.97Å; V1010-Y1028 HydrophobicContact CG2-CE2 4.13Å; Q1026-Y1028 HydrophobicContact CB-CD2 4.42Å; Q1026-Y1028 HydrophobicContact CB-CE2 3.77Å; Q1026-Y1028 PolarHBondContact OE1-OH 3.16Å; Q1026-Y1028 VanDerWaalsContact OE1-OH 3.13Å; Y1028-K1033 CarbonylContact C-O 3.55Å; Y1028-K1033 WeakPolarHBondContact CA-O 3.35Å; Y1028-L1034 HydrophobicContact CD1-CB 4.27Å; Y1028-L1034 HydrophobicContact CD1-CD1 4.24Å; Y1028-L1034 HydrophobicContact CD2-CD1 4.31Å; Y1028-L1034 HydrophobicContact CE1-CB 4.08Å; Y1028-L1034 HydrophobicContact CE1-CD1 3.88Å; Y1028-L1034 HydrophobicContact CE1-CG 4.48Å; Y1028-L1034 HydrophobicContact CE2-CD1 3.94Å; Y1028-L1034 HydrophobicContact CG-CD1 4.41Å |
| 1029 | N | 91.3 | Very high | 83.3 | Confident | 33.8 Ų | 33.8 | 47.4 Ų | 47.4 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 163.4 | 163.6 | 77.5 | 5.1 | 0 | 0 | 0 | 110.7 | Y540 S1031 G1032 K1033 I1035 | Y540-N1029 WeakPolarHBondContact OH-CB 3.25Å; N1029-S1031 VanDerWaalsContact CG-OG 3.26Å; N1029-S1031 PolarHBondContact ND2-OG 3.14Å; N1029-S1031 VanDerWaalsContact ND2-OG 3.1Å; N1029-S1031 PolarHBondContact O-N 3.19Å; N1029-S1031 VanDerWaalsContact O-N 3.08Å; N1029-S1031 WeakPolarHBondContact OD1-CA 3.39Å; N1029-S1031 WeakPolarHBondContact OD1-CB 3.32Å; N1029-S1031 PolarHBondContact OD1-N 3.34Å; N1029-S1031 PolarHBondContact OD1-OG 3.36Å; N1029-G1032 PolarHBondContact O-N 3.11Å; N1029-G1032 PolarHBondContact OD1-N 3.25Å; N1029-K1033 PolarHBondContact N-O 3.08Å; N1029-K1033 WeakPolarHBondContact OD1-CB 3.32Å; N1029-K1033 PolarHBondContact OD1-N 3.03Å; N1029-K1033 PolarHBondContact OD1-O 2.91Å; N1029-I1035 HydrophobicContact CB-CD1 3.82Å; N1029-I1035 HydrophobicContact CB-CG1 4.11Å |
| 1030 | L | 89.7 | Confident | 84.5 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -9.9 | 176.9 | -58.9 | 179.1 | 0 | 0 | 0 | 114.5 | V521 W533 P538 Y540 M541 R968 I1008 G1032 | V521-L1030 HydrophobicContact CG1-CD1 3.96Å; V521-L1030 HydrophobicContact CG2-CD1 4.37Å; W533-L1030 HydrophobicContact CB-CD2 4.3Å; W533-L1030 HydrophobicContact CD2-CB 4.17Å; W533-L1030 HydrophobicContact CD2-CD1 4.47Å; W533-L1030 HydrophobicContact CD2-CD2 3.91Å; W533-L1030 HydrophobicContact CD2-CG 4.41Å; W533-L1030 VanDerWaalsContact CE2-O 3.27Å; W533-L1030 HydrophobicContact CE3-CB 4.49Å; W533-L1030 HydrophobicContact CE3-CD1 4.12Å; W533-L1030 HydrophobicContact CE3-CD2 4.25Å; W533-L1030 HydrophobicContact CG-CD2 3.93Å; W533-L1030 HydrophobicContact CH2-CB 4.1Å; W533-L1030 HydrophobicContact CH2-CD1 4.4Å; W533-L1030 HydrophobicContact CZ2-CB 3.74Å; W533-L1030 VanDerWaalsContact CZ2-O 3.29Å; W533-L1030 WeakPolarHBondContact CZ2-O 3.27Å; W533-L1030 HydrophobicContact CZ3-CB 4.44Å; W533-L1030 HydrophobicContact CZ3-CD1 4.08Å; W533-L1030 PolarHBondContact NE1-O 3Å; P538-L1030 HydrophobicContact CB-CD1 4.49Å; P538-L1030 HydrophobicContact CG-CB 4.38Å; P538-L1030 HydrophobicContact CG-CD1 4Å; Y540-L1030 PolarHBondContact OH-N 2.85Å; M541-L1030 HydrophobicContact SD-CB 4.44Å; R968-L1030 PolarHBondContact NH1-O 2.84Å; I1008-L1030 HydrophobicContact CD1-CD2 3.78Å; I1008-L1030 HydrophobicContact CG1-CD2 4.12Å; L1030-G1032 VanDerWaalsContact C-N 3.3Å; L1030-G1032 PolarHBondContact O-N 3.06Å |
| 1031 | S | 87.1 | Confident | 85.1 | Confident | 48.4 Ų | 48.4 | 41.4 Ų | 41.4 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.1 | 170.5 | 78.6 | 0 | 0 | 0 | 0 | 114.2 | Y540 R968 N1029 K1033 | Y540-S1031 PolarHBondContact OH-N 3.07Å; R968-S1031 VanDerWaalsContact NH1-C 3.31Å; R968-S1031 PolarHBondContact NH1-O 3.46Å; R968-S1031 PolarHBondContact NH2-O 3.23Å; N1029-S1031 VanDerWaalsContact CG-OG 3.26Å; N1029-S1031 PolarHBondContact ND2-OG 3.14Å; N1029-S1031 VanDerWaalsContact ND2-OG 3.1Å; N1029-S1031 PolarHBondContact O-N 3.19Å; N1029-S1031 VanDerWaalsContact O-N 3.08Å; N1029-S1031 WeakPolarHBondContact OD1-CA 3.39Å; N1029-S1031 WeakPolarHBondContact OD1-CB 3.32Å; N1029-S1031 PolarHBondContact OD1-N 3.34Å; N1029-S1031 PolarHBondContact OD1-OG 3.36Å; S1031-K1033 VanDerWaalsContact C-N 3.33Å |
| 1032 | G | 86.4 | Confident | 85.1 | Confident | 26.2 Ų | 26.2 | 39.2 Ų | 39.2 | 27% | 0.27 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 90.1 | 3.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | V970 N1029 L1030 | V970-G1032 VanDerWaalsContact O-CA 3.27Å; V970-G1032 WeakPolarHBondContact O-CA 3.36Å; N1029-G1032 PolarHBondContact O-N 3.11Å; N1029-G1032 PolarHBondContact OD1-N 3.25Å; L1030-G1032 VanDerWaalsContact C-N 3.3Å; L1030-G1032 PolarHBondContact O-N 3.06Å |
| 1033 | K | 88.5 | Confident | 85 | Confident | 146 Ų | 146 | 39.8 Ų | 39.8 | 64% | 0.635 | 21% | 0.212 | S | C | * | . | trans | -83.4 | 127.4 | 178.2 | -176.4 | 177.4 | 178 | 179.6 | 0 | 110.3 | Y1028 N1029 S1031 I1035 | Y1028-K1033 CarbonylContact C-O 3.55Å; Y1028-K1033 WeakPolarHBondContact CA-O 3.35Å; N1029-K1033 PolarHBondContact N-O 3.08Å; N1029-K1033 WeakPolarHBondContact OD1-CB 3.32Å; N1029-K1033 PolarHBondContact OD1-N 3.03Å; N1029-K1033 PolarHBondContact OD1-O 2.91Å; S1031-K1033 VanDerWaalsContact C-N 3.33Å; K1033-I1035 PolarHBondContact O-N 3.16Å | ||
| 1034 | L | 88.8 | Confident | 84.6 | Confident | 60.8 Ų | 60.8 | 39.8 Ų | 39.8 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 124.6 | 168.3 | -171.5 | 59.5 | 0 | 0 | 0 | 110 | A973 Q1026 Y1028 I1036 N1037 | A973-L1034 HydrophobicContact CB-CD2 3.93Å; Q1026-L1034 HydrophobicContact CB-CD1 3.95Å; Q1026-L1034 HydrophobicContact CG-CD1 4.16Å; Y1028-L1034 HydrophobicContact CD1-CB 4.27Å; Y1028-L1034 HydrophobicContact CD1-CD1 4.24Å; Y1028-L1034 HydrophobicContact CD2-CD1 4.31Å; Y1028-L1034 HydrophobicContact CE1-CB 4.08Å; Y1028-L1034 HydrophobicContact CE1-CD1 3.88Å; Y1028-L1034 HydrophobicContact CE1-CG 4.48Å; Y1028-L1034 HydrophobicContact CE2-CD1 3.94Å; Y1028-L1034 HydrophobicContact CG-CD1 4.41Å; L1034-I1036 WeakPolarHBondContact CD1-O 3.42Å; L1034-N1037 HydrophobicContact CD1-CB 4.43Å; L1034-N1037 HydrophobicContact CD2-CB 3.97Å; L1034-N1037 HydrophobicContact CG-CB 4.31Å |
| 1035 | I | 86.9 | Confident | 84.2 | Confident | 61.2 Ų | 61.2 | 41.8 Ų | 41.8 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -47.1 | 179.8 | -46 | 171.1 | 0 | 0 | 0 | 110.1 | R1007 V1027 N1029 K1033 T1086 | R1007-I1035 HydrophobicContact CG-CD1 4.14Å; V1027-I1035 HydrophobicContact CG1-CD1 4.22Å; V1027-I1035 WeakPolarHBondContact O-CA 3.32Å; V1027-I1035 VanDerWaalsContact O-CB 3.3Å; V1027-I1035 WeakPolarHBondContact O-CB 3.24Å; V1027-I1035 WeakPolarHBondContact O-CG1 3.36Å; V1027-I1035 PolarHBondContact O-N 3.17Å; N1029-I1035 HydrophobicContact CB-CD1 3.82Å; N1029-I1035 HydrophobicContact CB-CG1 4.11Å; K1033-I1035 PolarHBondContact O-N 3.16Å; I1035-T1086 HydrophobicContact CG2-CG2 3.56Å; I1035-T1086 VanDerWaalsContact CG2-CG2 3.48Å; I1035-T1086 VanDerWaalsContact O-CG2 3.29Å; I1035-T1086 WeakPolarHBondContact O-CG2 3.39Å |
| 1036 | I | 86.3 | Confident | 83.5 | Confident | 14.2 Ų | 14.2 | 42.2 Ų | 42.2 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.3 | -177.6 | -58.5 | 172.3 | 0 | 0 | 0 | 108.1 | Y1025 Q1026 V1027 L1034 Q1038 P1083 T1086 | Y1025-I1036 HydrophobicContact CD1-CG2 4.21Å; Y1025-I1036 HydrophobicContact CE1-CG2 4.32Å; Q1026-I1036 CarbonylContact C-O 3.52Å; Q1026-I1036 VanDerWaalsContact CA-O 3.29Å; Q1026-I1036 WeakPolarHBondContact CA-O 3.28Å; V1027-I1036 HydrophobicContact CB-CB 3.99Å; V1027-I1036 HydrophobicContact CB-CD1 4.27Å; V1027-I1036 HydrophobicContact CB-CG1 4.3Å; V1027-I1036 HydrophobicContact CG2-CB 4.01Å; V1027-I1036 HydrophobicContact CG2-CD1 4.02Å; V1027-I1036 HydrophobicContact CG2-CG1 4.4Å; V1027-I1036 PolarHBondContact N-O 3.1Å; V1027-I1036 PolarHBondContact O-N 3.13Å; L1034-I1036 WeakPolarHBondContact CD1-O 3.42Å; I1036-Q1038 HydrophobicContact CG2-CG 4.19Å; I1036-P1083 HydrophobicContact CD1-CG 4.19Å; I1036-P1083 HydrophobicContact CG2-CG 3.88Å; I1036-T1086 HydrophobicContact CB-CG2 4.42Å; I1036-T1086 HydrophobicContact CG1-CG2 4.08Å |
| 1037 | N | 86.8 | Confident | 83 | Confident | 82.6 Ų | 82.6 | 41.9 Ų | 41.9 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 110.1 | 171 | -175.4 | 42.5 | 0 | 0 | 0 | 108 | Y1025 Q1026 L1034 | Y1025-N1037 WeakPolarHBondContact O-CA 3.41Å; Q1026-N1037 HydrophobicContact CG-CB 4.46Å; Q1026-N1037 VanDerWaalsContact CG-OD1 3.28Å; Q1026-N1037 WeakPolarHBondContact CG-OD1 3.36Å; Q1026-N1037 PolarHBondContact NE2-OD1 3.12Å; L1034-N1037 HydrophobicContact CD1-CB 4.43Å; L1034-N1037 HydrophobicContact CD2-CB 3.97Å; L1034-N1037 HydrophobicContact CG-CB 4.31Å |
| 1038 | Q | 81.3 | Confident | 82.3 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.4 | -177.3 | -88.4 | -172.5 | -13.2 | 0 | 0 | 111.1 | L1024 Y1025 I1036 M1040 P1083 E1090 W1092 | L1024-Q1038 CarbonylContact C-O 3.35Å; L1024-Q1038 WeakPolarHBondContact CA-O 3.41Å; Y1025-Q1038 PolarHBondContact N-O 3.01Å; Y1025-Q1038 PolarHBondContact O-N 3.23Å; I1036-Q1038 HydrophobicContact CG2-CG 4.19Å; Q1038-M1040 PolarHBondContact O-N 3.22Å; Q1038-P1083 VanDerWaalsContact CD-CG 3.48Å; Q1038-P1083 VanDerWaalsContact OE1-CD 3.25Å; Q1038-P1083 VanDerWaalsContact OE1-CG 3.32Å; Q1038-E1090 PolarHBondContact NE2-O 2.91Å; Q1038-E1090 VanDerWaalsContact NE2-O 3.11Å; Q1038-W1092 HydrophobicContact CB-CZ2 4.24Å; Q1038-W1092 VanDerWaalsContact CD-CZ2 3.5Å; Q1038-W1092 HydrophobicContact CG-CZ2 3.72Å; Q1038-W1092 VanDerWaalsContact OE1-CE2 3.28Å; Q1038-W1092 VanDerWaalsContact OE1-NE1 3.14Å |
| 1039 | K | 81.3 | Confident | 81.1 | Confident | 108.2 Ų | 108.2 | 46 Ų | 46 | 47% | 0.47 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.4 | 170.6 | -171.8 | 164.5 | 178.5 | 125.9 | 0 | 109.5 | Q1014 D1016 S1022 L1024 W1092 | Q1014-K1039 VanDerWaalsContact OE1-NZ 3.11Å; D1016-K1039 IonicContact OD2-NZ 3.26Å; D1016-K1039 PolarHBondContact OD2-NZ 3.19Å; S1022-K1039 VanDerWaalsContact CB-CE 3.45Å; S1022-K1039 VanDerWaalsContact OG-CE 3.26Å; S1022-K1039 WeakPolarHBondContact OG-CE 3.35Å; S1022-K1039 PolarHBondContact OG-NZ 3.14Å; L1024-K1039 HydrophobicContact CD2-CB 4.28Å; K1039-W1092 PolarHBondContact O-NE1 3.04Å; K1039-W1092 VanDerWaalsContact O-NE1 3.15Å |
| 1040 | M | 79.8 | Confident | 79.7 | Confident | 11.2 Ų | 11.2 | 48.5 Ų | 48.5 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 149.7 | 175.7 | -62 | -153 | 53.6 | 0 | 0 | 110.4 | I1011 A1023 Q1038 V1042 L1047 L1070 F1080 W1092 | I1011-M1040 HydrophobicContact CD1-CE 4.24Å; I1011-M1040 HydrophobicContact CD1-SD 4.05Å; I1011-M1040 HydrophobicContact CG1-SD 4.21Å; I1011-M1040 HydrophobicContact CG2-SD 3.75Å; A1023-M1040 HydrophobicContact CB-CB 4.07Å; A1023-M1040 HydrophobicContact CB-CG 3.95Å; A1023-M1040 HydrophobicContact CB-SD 3.79Å; A1023-M1040 WeakPolarHBondContact CB-SD 3.21Å; A1023-M1040 WeakPolarHBondContact O-CB 3.31Å; A1023-M1040 WeakPolarHBondContact O-CG 3.39Å; A1023-M1040 PolarHBondContact O-N 2.9Å; Q1038-M1040 PolarHBondContact O-N 3.22Å; M1040-V1042 VanDerWaalsContact C-N 3.26Å; M1040-V1042 WeakPolarHBondContact CB-O 3.44Å; M1040-V1042 HydrophobicContact CE-CG2 4.23Å; M1040-V1042 PolarHBondContact O-N 3.16Å; M1040-L1047 HydrophobicContact CE-CD1 4.48Å; M1040-L1047 HydrophobicContact SD-CD1 4.14Å; M1040-L1070 HydrophobicContact CE-CD2 3.92Å; M1040-F1080 HydrophobicContact CE-CB 4.19Å; M1040-F1080 HydrophobicContact CE-CD2 3.99Å; M1040-F1080 HydrophobicContact CE-CE2 4.34Å; M1040-F1080 HydrophobicContact CE-CG 3.92Å; M1040-W1092 HydrophobicContact CB-CH2 4.24Å; M1040-W1092 HydrophobicContact CB-CZ2 4.17Å; M1040-W1092 HydrophobicContact CB-CZ3 4.48Å; M1040-W1092 HydrophobicContact CE-CH2 3.87Å; M1040-W1092 HydrophobicContact CE-CZ2 4.39Å; M1040-W1092 HydrophobicContact CE-CZ3 4.14Å; M1040-W1092 HydrophobicContact CG-CH2 3.69Å; M1040-W1092 HydrophobicContact CG-CZ2 3.91Å; M1040-W1092 HydrophobicContact CG-CZ3 4.34Å; M1040-W1092 HydrophobicContact SD-CH2 3.93Å; M1040-W1092 WeakPolarHBondContact SD-CH2 3.37Å; M1040-W1092 HydrophobicContact SD-CZ2 3.43Å; M1040-W1092 WeakPolarHBondContact SD-CZ2 3.16Å; M1040-W1092 HydrophobicContact SD-CZ3 4.24Å |
| 1041 | P | 71.9 | Confident | 78.2 | Confident | 68.8 Ų | 68.8 | 50 Ų | 50 | 45% | 0.447 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -20.8 | 174.1 | 30.8 | -35.1 | 0 | 0 | 0 | 111.6 | W1092 | P1041-W1092 HydrophobicContact CB-CB 4.45Å; P1041-W1092 HydrophobicContact CB-CG 4.47Å; P1041-W1092 VanDerWaalsContact CD-CD2 3.49Å; P1041-W1092 VanDerWaalsContact CD-CG 3.48Å; P1041-W1092 HydrophobicContact CG-CB 3.98Å; P1041-W1092 HydrophobicContact CG-CD2 4.05Å; P1041-W1092 HydrophobicContact CG-CE3 3.98Å; P1041-W1092 HydrophobicContact CG-CG 4.01Å; P1041-W1092 HydrophobicContact CG-CZ3 4.37Å |
| 1042 | V | 73.8 | Confident | 76.4 | Confident | 18.6 Ų | 18.6 | 56.3 Ų | 56.3 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.3 | 178.9 | -157.7 | 0 | 0 | 0 | 0 | 110.3 | M1040 A1046 L1078 T1367 | M1040-V1042 VanDerWaalsContact C-N 3.26Å; M1040-V1042 WeakPolarHBondContact CB-O 3.44Å; M1040-V1042 HydrophobicContact CE-CG2 4.23Å; M1040-V1042 PolarHBondContact O-N 3.16Å; V1042-A1046 HydrophobicContact CB-CB 4.41Å; V1042-A1046 HydrophobicContact CG1-CB 3.39Å; V1042-L1078 HydrophobicContact CB-CD2 4.31Å; V1042-L1078 HydrophobicContact CG1-CD1 4.37Å; V1042-L1078 HydrophobicContact CG1-CD2 4.22Å; V1042-L1078 HydrophobicContact CG2-CD2 4.05Å; V1042-T1367 HydrophobicContact CG1-CG2 4.08Å |
| 1043 | S | 74 | Confident | 74.6 | Confident | 22.4 Ų | 22.4 | 61.4 Ų | 61.4 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 147.6 | 172.8 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | Q1021 S1045 A1046 | Q1021-S1043 PolarHBondContact O-OG 2.79Å; S1043-S1045 PolarHBondContact O-N 3.21Å; S1043-S1045 VanDerWaalsContact O-N 3.15Å; S1043-S1045 WeakPolarHBondContact OG-CB 3.49Å; S1043-S1045 PolarHBondContact OG-N 3.12Å; S1043-S1045 PolarHBondContact OG-OG 2.97Å; S1043-A1046 VanDerWaalsContact O-CB 3.3Å; S1043-A1046 WeakPolarHBondContact O-CB 3.35Å; S1043-A1046 PolarHBondContact O-N 3.08Å |
| 1044 | A | 76.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -60.9 | -25.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L999 E1013 Q1021 A1023 A1046 L1047 K1048 | L999-A1044 HydrophobicContact CD1-CB 4.21Å; E1013-A1044 HydrophobicContact CB-CB 4.47Å; E1013-A1044 HydrophobicContact CG-CB 4.04Å; Q1021-A1044 HydrophobicContact CB-CB 4.02Å; Q1021-A1044 VanDerWaalsContact O-CB 3.29Å; Q1021-A1044 WeakPolarHBondContact O-CB 3.42Å; Q1021-A1044 PolarHBondContact O-N 3.26Å; A1023-A1044 HydrophobicContact CB-CB 4.37Å; A1044-A1046 PolarHBondContact O-N 3.12Å; A1044-L1047 PolarHBondContact O-N 3.17Å; A1044-K1048 WeakPolarHBondContact O-CG 3.44Å; A1044-K1048 PolarHBondContact O-N 3.17Å |
| 1045 | S | 77 | Confident | 71.3 | Confident | 60.6 Ų | 60.6 | 68.1 Ų | 68.1 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -60.3 | -26.6 | 173.1 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | S1043 L1047 K1048 R1188 | S1043-S1045 PolarHBondContact O-N 3.21Å; S1043-S1045 VanDerWaalsContact O-N 3.15Å; S1043-S1045 WeakPolarHBondContact OG-CB 3.49Å; S1043-S1045 PolarHBondContact OG-N 3.12Å; S1043-S1045 PolarHBondContact OG-OG 2.97Å; S1045-L1047 VanDerWaalsContact C-N 3.3Å; S1045-L1047 PolarHBondContact O-N 2.98Å; S1045-K1048 PolarHBondContact O-N 3.08Å; S1045-R1188 PolarHBondContact O-NH1 3.32Å |
| 1046 | A | 75.5 | Confident | 70.3 | Confident | 8.8 Ų | 8.8 | 66.5 Ų | 66.5 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -78 | -8.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1042 S1043 A1044 D1072 R1188 T1367 | V1042-A1046 HydrophobicContact CB-CB 4.41Å; V1042-A1046 HydrophobicContact CG1-CB 3.39Å; S1043-A1046 VanDerWaalsContact O-CB 3.3Å; S1043-A1046 WeakPolarHBondContact O-CB 3.35Å; S1043-A1046 PolarHBondContact O-N 3.08Å; A1044-A1046 PolarHBondContact O-N 3.12Å; A1046-D1072 WeakPolarHBondContact O-CB 3.35Å; A1046-R1188 VanDerWaalsContact O-CZ 3.3Å; A1046-R1188 PolarHBondContact O-NE 3.11Å; A1046-R1188 PolarHBondContact O-NH2 3.14Å; A1046-R1188 VanDerWaalsContact O-NH2 3.11Å; A1046-T1367 HydrophobicContact CB-CG2 4.18Å |
| 1047 | L | 77.5 | Confident | 69.9 | Low | 3.8 Ų | 3.8 | 68.8 Ų | 68.8 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -107.9 | -3.7 | 175.8 | -70.8 | 163.5 | 0 | 0 | 0 | 112.7 | L999 I1011 A1023 M1040 A1044 S1045 A1058 L1070 P1073 L1078 | L999-L1047 HydrophobicContact CD1-CB 3.96Å; L999-L1047 HydrophobicContact CD1-CD1 3.96Å; I1011-L1047 HydrophobicContact CG2-CD1 3.79Å; A1023-L1047 HydrophobicContact CB-CD1 3.7Å; M1040-L1047 HydrophobicContact CE-CD1 4.48Å; M1040-L1047 HydrophobicContact SD-CD1 4.14Å; A1044-L1047 PolarHBondContact O-N 3.17Å; S1045-L1047 VanDerWaalsContact C-N 3.3Å; S1045-L1047 PolarHBondContact O-N 2.98Å; L1047-A1058 HydrophobicContact CB-CB 4.45Å; L1047-A1058 HydrophobicContact CD2-CB 3.77Å; L1047-L1070 HydrophobicContact CD2-CD1 4.2Å; L1047-L1070 HydrophobicContact CD2-CD2 4.28Å; L1047-L1070 HydrophobicContact CD2-CG 4.45Å; L1047-P1073 VanDerWaalsContact O-CD 3.26Å; L1047-P1073 WeakPolarHBondContact O-CD 3.42Å; L1047-P1073 VanDerWaalsContact O-CG 3.27Å; L1047-P1073 WeakPolarHBondContact O-CG 3.31Å; L1047-L1078 HydrophobicContact CD2-CD1 3.47Å; L1047-L1078 VanDerWaalsContact CD2-CD1 3.44Å; L1047-L1078 HydrophobicContact CD2-CD2 4.32Å; L1047-L1078 HydrophobicContact CG-CD1 4.12Å |
| 1048 | K | 75.8 | Confident | 69.9 | Low | 52.8 Ų | 52.8 | 65 Ų | 65 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -92.5 | 150.9 | 174.9 | -68.7 | 176.5 | -176 | -172.8 | 0 | 110.5 | E1013 A1044 S1045 R1188 | E1013-K1048 VanDerWaalsContact CD-CE 3.43Å; E1013-K1048 VanDerWaalsContact CD-NZ 3.26Å; E1013-K1048 WeakPolarHBondContact OE1-CE 3.38Å; E1013-K1048 IonicContact OE1-NZ 3.29Å; E1013-K1048 PolarHBondContact OE1-NZ 2.92Å; E1013-K1048 VanDerWaalsContact OE2-CE 3.31Å; E1013-K1048 WeakPolarHBondContact OE2-CE 3.43Å; E1013-K1048 IonicContact OE2-NZ 3.52Å; E1013-K1048 PolarHBondContact OE2-NZ 3.13Å; E1013-K1048 VanDerWaalsContact OE2-NZ 3.11Å; A1044-K1048 WeakPolarHBondContact O-CG 3.44Å; A1044-K1048 PolarHBondContact O-N 3.17Å; S1045-K1048 PolarHBondContact O-N 3.08Å; K1048-R1188 PolarHBondContact O-NH2 3.09Å |
| 1049 | P | 66.7 | Low | 70.3 | Confident | 50.6 Ų | 50.6 | 65.5 Ų | 65.5 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | trans | -59.3 | 144.2 | 175.7 | 6.2 | -7.4 | 0 | 0 | 0 | 111.4 | A1051 L1053 K1054 G1056 P1073 | P1049-A1051 VanDerWaalsContact C-N 3.27Å; P1049-A1051 VanDerWaalsContact CB-O 3.3Å; P1049-A1051 WeakPolarHBondContact CB-O 3.39Å; P1049-A1051 PolarHBondContact O-N 3.46Å; P1049-L1053 HydrophobicContact CB-CB 4.33Å; P1049-L1053 WeakPolarHBondContact CB-O 3.16Å; P1049-K1054 WeakPolarHBondContact CG-O 3.47Å; P1049-G1056 WeakPolarHBondContact CB-O 3.29Å; P1049-G1056 WeakPolarHBondContact CD-O 3.32Å; P1049-G1056 VanDerWaalsContact CG-O 3.3Å; P1049-G1056 WeakPolarHBondContact CG-O 3.27Å; P1049-P1073 HydrophobicContact CB-CB 4Å; P1049-P1073 HydrophobicContact CB-CG 4.36Å; P1049-P1073 HydrophobicContact CG-CB 4.11Å; P1049-P1073 HydrophobicContact CG-CG 4.24Å | ||
| 1050 | V | 62.8 | Low | 70.7 | Confident | 87.4 Ų | 87.4 | 61 Ų | 61 | 53% | 0.53 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -71 | 1.6 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | E1052 L1053 L1184 | V1050-E1052 PolarHBondContact O-N 3Å; V1050-L1053 PolarHBondContact O-N 3.34Å; V1050-L1184 HydrophobicContact CG2-CD1 4.25Å |
| 1051 | A | 56.4 | Low | 71.1 | Confident | 76.8 Ų | 76.8 | 61.5 Ų | 61.5 | 64% | 0.635 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -102.2 | 103.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1049 L1053 | P1049-A1051 VanDerWaalsContact C-N 3.27Å; P1049-A1051 VanDerWaalsContact CB-O 3.3Å; P1049-A1051 WeakPolarHBondContact CB-O 3.39Å; P1049-A1051 PolarHBondContact O-N 3.46Å; A1051-L1053 PolarHBondContact O-N 3.08Å; A1051-L1053 VanDerWaalsContact O-N 3.13Å |
| 1052 | E | 49.8 | Very low | 71.8 | Confident | 180.8 Ų | 180.8 | 59.6 Ų | 59.6 | 85% | 0.845 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.6 | -175.9 | -58.9 | -178.3 | 146.6 | 0 | 0 | 113.5 | V1050 K1054 | V1050-E1052 PolarHBondContact O-N 3Å; E1052-K1054 VanDerWaalsContact C-N 3.25Å; E1052-K1054 PolarHBondContact O-N 3.19Å; E1052-K1054 VanDerWaalsContact O-N 3.13Å |
| 1053 | L | 48.7 | Very low | 72.1 | Confident | 134 Ų | 134 | 59.3 Ų | 59.3 | 70% | 0.702 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 33.5 | -176.8 | -89 | 117.3 | 0 | 0 | 0 | 114.3 | P1049 V1050 A1051 D1055 G1056 | P1049-L1053 HydrophobicContact CB-CB 4.33Å; P1049-L1053 WeakPolarHBondContact CB-O 3.16Å; V1050-L1053 PolarHBondContact O-N 3.34Å; A1051-L1053 PolarHBondContact O-N 3.08Å; A1051-L1053 VanDerWaalsContact O-N 3.13Å; L1053-D1055 PolarHBondContact O-N 3.01Å; L1053-G1056 PolarHBondContact O-N 2.92Å |
| 1054 | K | 51.1 | Low | 72.4 | Confident | 171.2 Ų | 171.2 | 59.9 Ų | 59.9 | 74% | 0.744 | 35% | 0.345 | S | S | * | . | trans | -107.5 | 78.7 | -178.2 | -73.3 | -174.1 | 176.9 | 177 | 0 | 114.1 | P1049 E1052 G1056 | P1049-K1054 WeakPolarHBondContact CG-O 3.47Å; E1052-K1054 VanDerWaalsContact C-N 3.25Å; E1052-K1054 PolarHBondContact O-N 3.19Å; E1052-K1054 VanDerWaalsContact O-N 3.13Å; K1054-G1056 PolarHBondContact O-N 3.18Å | ||
| 1055 | D | 57 | Low | 72.4 | Confident | 175.2 Ų | 175.2 | 62.9 Ų | 62.9 | 94% | 0.937 | 36% | 0.359 | S | S | * | . | trans | -83.6 | 45.6 | 174.7 | -71.7 | -58.6 | 0 | 0 | 0 | 112.9 | L1053 S1057 | L1053-D1055 PolarHBondContact O-N 3.01Å; D1055-S1057 PolarHBondContact O-N 3.1Å | ||
| 1056 | G | 65.1 | Low | 72.4 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -94.1 | 128 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1049 L1053 K1054 P1073 | P1049-G1056 WeakPolarHBondContact CB-O 3.29Å; P1049-G1056 WeakPolarHBondContact CD-O 3.32Å; P1049-G1056 VanDerWaalsContact CG-O 3.3Å; P1049-G1056 WeakPolarHBondContact CG-O 3.27Å; L1053-G1056 PolarHBondContact O-N 2.92Å; K1054-G1056 PolarHBondContact O-N 3.18Å; G1056-P1073 WeakPolarHBondContact O-CB 3.35Å; G1056-P1073 VanDerWaalsContact O-CG 3.24Å; G1056-P1073 WeakPolarHBondContact O-CG 3.36Å | ||
| 1057 | S | 79.3 | Confident | 72.5 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | trans | -104.9 | 151.6 | 170.1 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | Q514 L999 D1055 | Q514-S1057 PolarHBondContact NE2-OG 2.66Å; L999-S1057 PolarHBondContact O-OG 2.53Å; D1055-S1057 PolarHBondContact O-N 3.1Å | ||
| 1058 | A | 86.9 | Confident | 72.9 | Confident | 3.4 Ų | 3.4 | 62.9 Ų | 62.9 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | trans | -64.4 | 149.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | L999 A1000 L1047 L1070 R1071 | L999-A1058 PolarHBondContact O-N 3.13Å; A1000-A1058 HydrophobicContact CB-CB 4.11Å; A1000-A1058 VanDerWaalsContact CB-O 3.3Å; A1000-A1058 WeakPolarHBondContact CB-O 3.25Å; L1047-A1058 HydrophobicContact CB-CB 4.45Å; L1047-A1058 HydrophobicContact CD2-CB 3.77Å; A1058-L1070 HydrophobicContact CB-CD1 4.43Å; A1058-R1071 CarbonylContact C-O 3.48Å; A1058-R1071 WeakPolarHBondContact CA-O 3.36Å; A1058-R1071 WeakPolarHBondContact CB-O 3.43Å | ||
| 1059 | T | 89.3 | Confident | 73.4 | Confident | 49.2 Ų | 49.2 | 60.8 Ų | 60.8 | 30% | 0.302 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.6 | -175.7 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | L1070 R1071 | T1059-L1070 WeakPolarHBondContact O-CA 3.38Å; T1059-R1071 PolarHBondContact N-O 3.08Å; T1059-R1071 PolarHBondContact O-N 3.09Å; T1059-R1071 PolarHBondContact OG1-NE 3.06Å; T1059-R1071 PolarHBondContact OG1-NH2 2.98Å |
| 1060 | I | 89.7 | Confident | 74.5 | Confident | 13.6 Ų | 13.6 | 58.4 Ų | 58.4 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 113.9 | 171.7 | -60.8 | 161.2 | 0 | 0 | 0 | 107.4 | A1000 A1002 I1011 L1068 L1069 L1070 | A1000-I1060 HydrophobicContact CB-CD1 3.79Å; A1000-I1060 HydrophobicContact CB-CG1 3.86Å; A1002-I1060 HydrophobicContact CB-CB 3.78Å; A1002-I1060 HydrophobicContact CB-CG2 3.57Å; I1011-I1060 HydrophobicContact CD1-CD1 3.87Å; I1011-I1060 HydrophobicContact CD1-CG1 4.29Å; I1011-I1060 HydrophobicContact CG1-CD1 4.05Å; I1060-L1068 HydrophobicContact CG2-CB 4.19Å; I1060-L1068 HydrophobicContact CG2-CD1 4.3Å; I1060-L1068 HydrophobicContact CG2-CD2 4.28Å; I1060-L1068 HydrophobicContact CG2-CG 4.47Å; I1060-L1069 CarbonylContact C-O 3.42Å; I1060-L1069 VanDerWaalsContact CA-O 3.3Å; I1060-L1069 WeakPolarHBondContact CA-O 3.37Å; I1060-L1070 HydrophobicContact CG1-CD1 3.87Å |
| 1061 | T | 88.4 | Confident | 75.7 | Confident | 23.2 Ų | 23.2 | 55.7 Ų | 55.7 | 14% | 0.142 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.9 | 170.1 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | L1068 L1069 A1106 F1108 | T1061-L1068 WeakPolarHBondContact O-CA 3.32Å; T1061-L1069 PolarHBondContact N-O 3.14Å; T1061-L1069 PolarHBondContact O-N 3.2Å; T1061-A1106 VanDerWaalsContact CG2-O 3.27Å; T1061-A1106 WeakPolarHBondContact CG2-O 3.36Å; T1061-A1106 PolarHBondContact OG1-O 3.01Å; T1061-F1108 HydrophobicContact CG2-CD2 3.53Å; T1061-F1108 VanDerWaalsContact CG2-CD2 3.46Å; T1061-F1108 HydrophobicContact CG2-CE2 3.87Å; T1061-F1108 HydrophobicContact CG2-CG 4.45Å |
| 1062 | C | 85.9 | Confident | 77.1 | Confident | 28.4 Ų | 28.4 | 52.2 Ų | 52.2 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | trans | -138.5 | 124.3 | -179.1 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | A1002 T1003 S1064 E1065 L1068 | A1002-C1062 HydrophobicContact CB-CB 4.09Å; T1003-C1062 PolarHBondContact O-SG 2.87Å; T1003-C1062 VanDerWaalsContact O-SG 3.34Å; C1062-S1064 PolarHBondContact O-N 3.17Å; C1062-S1064 VanDerWaalsContact O-N 3.11Å; C1062-S1064 PolarHBondContact SG-N 3.11Å; C1062-S1064 VanDerWaalsContact SG-N 3.44Å; C1062-E1065 PolarHBondContact SG-O 3.22Å; C1062-E1065 VanDerWaalsContact SG-O 3.38Å; C1062-L1068 HydrophobicContact CB-CD2 3.56Å; C1062-L1068 VanDerWaalsContact CB-CD2 3.42Å; C1062-L1068 VanDerWaalsContact SG-CD2 3.52Å; C1062-L1068 WeakPolarHBondContact SG-CD2 3.16Å | ||
| 1063 | P | 81.4 | Confident | 78.8 | Confident | 12.2 Ų | 12.2 | 45 Ų | 45 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | trans | -78.8 | 39.7 | 174 | 30.4 | -29.9 | 0 | 0 | 0 | 113.2 | E1065 P1067 F1108 L1141 | P1063-E1065 VanDerWaalsContact CD-O 3.26Å; P1063-E1065 WeakPolarHBondContact CD-O 3.3Å; P1063-E1065 VanDerWaalsContact CG-O 3.28Å; P1063-E1065 WeakPolarHBondContact CG-O 3.35Å; P1063-E1065 PolarHBondContact O-N 3.01Å; P1063-E1065 VanDerWaalsContact O-N 3.08Å; P1063-P1067 VanDerWaalsContact CD-O 3.29Å; P1063-P1067 WeakPolarHBondContact CD-O 3.29Å; P1063-F1108 HydrophobicContact CB-CB 3.76Å; P1063-F1108 WeakPolarHBondContact CB-O 3.38Å; P1063-F1108 HydrophobicContact CG-CB 3.98Å; P1063-L1141 HydrophobicContact CB-CD1 4.07Å; P1063-L1141 HydrophobicContact CG-CD1 4.02Å | ||
| 1064 | S | 78.6 | Confident | 80.5 | Confident | 34.8 Ų | 34.8 | 41 Ų | 41 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 63.6 | -14 | -173.2 | -11.2 | 0 | 0 | 0 | 0 | 117.4 | P519 E1004 N1005 C1062 | P519-S1064 VanDerWaalsContact CD-CB 3.46Å; P519-S1064 VanDerWaalsContact CD-OG 3.24Å; P519-S1064 WeakPolarHBondContact CD-OG 3.4Å; E1004-S1064 CarbonylContact C-O 3.49Å; E1004-S1064 WeakPolarHBondContact CA-O 3.41Å; E1004-S1064 WeakPolarHBondContact CB-O 3.24Å; E1004-S1064 VanDerWaalsContact CG-O 3.22Å; E1004-S1064 WeakPolarHBondContact CG-O 3.3Å; N1005-S1064 VanDerWaalsContact CG-O 3.28Å; N1005-S1064 PolarHBondContact N-O 3.14Å; N1005-S1064 PolarHBondContact ND2-O 2.95Å; N1005-S1064 WeakPolarHBondContact OD1-CB 3.28Å; N1005-S1064 PolarHBondContact OD1-O 3.3Å; C1062-S1064 PolarHBondContact O-N 3.17Å; C1062-S1064 VanDerWaalsContact O-N 3.11Å; C1062-S1064 PolarHBondContact SG-N 3.11Å; C1062-S1064 VanDerWaalsContact SG-N 3.44Å |
| 1065 | E | 78.3 | Confident | 82.2 | Confident | 63.4 Ų | 63.4 | 33.2 Ų | 33.2 | 30% | 0.296 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -133.8 | 164.4 | 166.7 | -23 | -176.8 | 157.7 | 0 | 0 | 107.6 | E1004 N1005 C1062 P1063 W1110 R1139 | E1004-E1065 WeakPolarHBondContact OE1-CA 3.45Å; N1005-E1065 WeakPolarHBondContact ND2-CG 3.33Å; N1005-E1065 PolarHBondContact ND2-OE1 3.48Å; C1062-E1065 PolarHBondContact SG-O 3.22Å; C1062-E1065 VanDerWaalsContact SG-O 3.38Å; P1063-E1065 VanDerWaalsContact CD-O 3.26Å; P1063-E1065 WeakPolarHBondContact CD-O 3.3Å; P1063-E1065 VanDerWaalsContact CG-O 3.28Å; P1063-E1065 WeakPolarHBondContact CG-O 3.35Å; P1063-E1065 PolarHBondContact O-N 3.01Å; P1063-E1065 VanDerWaalsContact O-N 3.08Å; E1065-W1110 VanDerWaalsContact CG-CD1 3.49Å; E1065-W1110 HydrophobicContact CG-CG 4.44Å; E1065-W1110 VanDerWaalsContact CG-NE1 3.26Å; E1065-W1110 VanDerWaalsContact OE1-CD1 3.29Å; E1065-W1110 PolarHBondContact OE1-NE1 3.33Å; E1065-R1139 VanDerWaalsContact CD-NH1 3.31Å; E1065-R1139 IonicContact OE1-CZ 3.04Å; E1065-R1139 IonicContact OE1-NH1 2.95Å; E1065-R1139 PolarHBondContact OE1-NH1 3.03Å; E1065-R1139 IonicContact OE1-NH2 3.54Å; E1065-R1139 PolarHBondContact OE1-NH2 3.26Å; E1065-R1139 IonicContact OE2-CZ 2.87Å; E1065-R1139 IonicContact OE2-NH1 3.19Å; E1065-R1139 PolarHBondContact OE2-NH1 3.11Å; E1065-R1139 IonicContact OE2-NH2 3.09Å; E1065-R1139 PolarHBondContact OE2-NH2 2.9Å |
| 1066 | H | 75.9 | Confident | 83.7 | Confident | 51.4 Ų | 51.4 | 24.9 Ų | 24.9 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -51 | 150.5 | 170.2 | -80.3 | -98.4 | 0 | 0 | 0 | 112.2 | H18 L21 E1004 H1009 P1082 W1110 | H18-H1066 HydrophobicContact CB-CB 4.43Å; H18-H1066 AromaticContact CG-CD2 3.91Å; H18-H1066 AromaticContact ND1-CD2 3.39Å; H18-H1066 PolarHBondContact ND1-CD2 2.98Å; H18-H1066 AromaticContact ND1-CG 3.55Å; L21-H1066 HydrophobicContact CD1-CB 4.04Å; E1004-H1066 IonicContact OE1-CD2 3.3Å; E1004-H1066 PolarHBondContact OE1-CD2 3.25Å; E1004-H1066 VanDerWaalsContact OE1-CD2 3.27Å; E1004-H1066 IonicContact OE1-CG 3.56Å; E1004-H1066 PolarHBondContact OE1-N 3.09Å; E1004-H1066 IonicContact OE1-NE2 2.83Å; E1004-H1066 IonicContact OE2-NE2 2.7Å; H1009-H1066 AromaticContact CE1-CE1 3.89Å; H1009-H1066 AromaticContact CE1-NE2 3.58Å; H1066-P1082 VanDerWaalsContact CE1-CG 3.41Å; H1066-P1082 WeakPolarHBondContact CE1-CG 3.2Å; H1066-W1110 WeakPolarHBondContact O-CZ2 3.38Å; H1066-W1110 PolarHBondContact O-NE1 3.29Å |
| 1067 | P | 78.4 | Confident | 84.7 | Confident | 15.6 Ų | 15.6 | 23.7 Ų | 23.7 | 10% | 0.101 | 14% | 0.143 | C | C | . | . | cis | -88.7 | 166.3 | 11.7 | 28.2 | -26.4 | 0 | 0 | 0 | 114.7 | L21 L25 P1063 L1141 M1277 L1280 | L21-P1067 HydrophobicContact CB-CB 4.46Å; L25-P1067 HydrophobicContact CB-CB 4Å; L25-P1067 HydrophobicContact CB-CG 4.01Å; L25-P1067 HydrophobicContact CD2-CB 3.78Å; L25-P1067 HydrophobicContact CD2-CG 3.87Å; L25-P1067 HydrophobicContact CG-CG 4.42Å; P1063-P1067 VanDerWaalsContact CD-O 3.29Å; P1063-P1067 WeakPolarHBondContact CD-O 3.29Å; P1067-L1141 HydrophobicContact CG-CD2 3.75Å; P1067-L1141 VanDerWaalsContact CG-CD2 3.46Å; P1067-M1277 HydrophobicContact CB-CB 4.26Å; P1067-M1277 HydrophobicContact CB-CG 3.79Å; P1067-M1277 VanDerWaalsContact CB-N 3.31Å; P1067-M1277 HydrophobicContact CB-SD 4.13Å; P1067-M1277 VanDerWaalsContact CD-SD 3.55Å; P1067-M1277 HydrophobicContact CG-CB 4.31Å; P1067-M1277 HydrophobicContact CG-CE 4.18Å; P1067-M1277 HydrophobicContact CG-CG 3.85Å; P1067-M1277 HydrophobicContact CG-SD 3.72Å; P1067-M1277 VanDerWaalsContact CG-SD 3.57Å; P1067-L1280 HydrophobicContact CG-CD1 3.75Å | ||
| 1068 | L | 84.9 | Confident | 84.8 | Confident | 5.6 Ų | 5.6 | 21.2 Ų | 21.2 | 3% | 0.029 | 12% | 0.124 | C | C | . | . | trans | -109.6 | 144.7 | 178.7 | -57 | -177.5 | 0 | 0 | 0 | 110.9 | Q22 H1009 I1060 T1061 C1062 F1080 P1082 S1276 | Q22-L1068 PolarHBondContact NE2-O 2.96Å; Q22-L1068 PolarHBondContact OE1-O 2.9Å; H1009-L1068 HydrophobicContact CB-CD1 4.38Å; I1060-L1068 HydrophobicContact CG2-CB 4.19Å; I1060-L1068 HydrophobicContact CG2-CD1 4.3Å; I1060-L1068 HydrophobicContact CG2-CD2 4.28Å; I1060-L1068 HydrophobicContact CG2-CG 4.47Å; T1061-L1068 WeakPolarHBondContact O-CA 3.32Å; C1062-L1068 HydrophobicContact CB-CD2 3.56Å; C1062-L1068 VanDerWaalsContact CB-CD2 3.42Å; C1062-L1068 VanDerWaalsContact SG-CD2 3.52Å; C1062-L1068 WeakPolarHBondContact SG-CD2 3.16Å; L1068-F1080 HydrophobicContact CB-CD1 4.28Å; L1068-F1080 HydrophobicContact CB-CE1 3.95Å; L1068-F1080 HydrophobicContact CB-CZ 3.9Å; L1068-F1080 HydrophobicContact CD1-CE1 4.22Å; L1068-F1080 HydrophobicContact CD1-CZ 4.32Å; L1068-F1080 WeakPolarHBondContact O-CE1 3.42Å; L1068-P1082 HydrophobicContact CB-CG 4.43Å; L1068-P1082 HydrophobicContact CD1-CG 3.95Å; L1068-P1082 HydrophobicContact CG-CG 4.21Å; L1068-S1276 PolarHBondContact O-OG 3.07Å | ||
| 1069 | L | 87.4 | Confident | 84.1 | Confident | 8.8 Ų | 8.8 | 22.6 Ų | 22.6 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.8 | 170 | -179.6 | 69.6 | 0 | 0 | 0 | 110.2 | L25 L29 I1060 T1061 R1071 V1077 A1106 F1108 M1277 I1282 | L25-L1069 HydrophobicContact CD2-CB 4.39Å; L29-L1069 HydrophobicContact CD1-CD1 3.83Å; I1060-L1069 CarbonylContact C-O 3.42Å; I1060-L1069 VanDerWaalsContact CA-O 3.3Å; I1060-L1069 WeakPolarHBondContact CA-O 3.37Å; T1061-L1069 PolarHBondContact N-O 3.14Å; T1061-L1069 PolarHBondContact O-N 3.2Å; L1069-R1071 HydrophobicContact CD2-CG 4.36Å; L1069-R1071 HydrophobicContact CG-CG 4.3Å; L1069-V1077 HydrophobicContact CD1-CG1 3.74Å; L1069-V1077 HydrophobicContact CD1-CG2 4.15Å; L1069-A1106 HydrophobicContact CD2-CB 3.7Å; L1069-F1108 HydrophobicContact CB-CE2 3.83Å; L1069-F1108 HydrophobicContact CB-CZ 4.31Å; L1069-F1108 HydrophobicContact CD2-CE2 3.9Å; L1069-F1108 HydrophobicContact CD2-CZ 3.93Å; L1069-F1108 HydrophobicContact CG-CE2 4.47Å; L1069-M1277 HydrophobicContact CB-CB 4.17Å; L1069-M1277 HydrophobicContact CB-CG 4.43Å; L1069-I1282 HydrophobicContact CD1-CD1 3.96Å |
| 1070 | L | 88.3 | Confident | 83.3 | Confident | 1.4 Ų | 1.4 | 20.7 Ų | 20.7 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.4 | 173.8 | 176.5 | 61.3 | 0 | 0 | 0 | 110.6 | A1000 I1011 M1040 L1047 A1058 T1059 I1060 L1078 F1080 | A1000-L1070 HydrophobicContact CB-CD1 4.49Å; I1011-L1070 HydrophobicContact CD1-CD1 3.6Å; I1011-L1070 HydrophobicContact CD1-CD2 3.65Å; I1011-L1070 HydrophobicContact CD1-CG 4.24Å; M1040-L1070 HydrophobicContact CE-CD2 3.92Å; L1047-L1070 HydrophobicContact CD2-CD1 4.2Å; L1047-L1070 HydrophobicContact CD2-CD2 4.28Å; L1047-L1070 HydrophobicContact CD2-CG 4.45Å; A1058-L1070 HydrophobicContact CB-CD1 4.43Å; T1059-L1070 WeakPolarHBondContact O-CA 3.38Å; I1060-L1070 HydrophobicContact CG1-CD1 3.87Å; L1070-L1078 HydrophobicContact CB-CB 4.49Å; L1070-L1078 HydrophobicContact CD2-CB 3.96Å; L1070-L1078 HydrophobicContact CD2-CD1 4.12Å; L1070-L1078 HydrophobicContact CG-CB 4.07Å; L1070-L1078 HydrophobicContact CG-CD1 4.16Å; L1070-L1078 PolarHBondContact O-N 3.11Å; L1070-F1080 HydrophobicContact CB-CB 4.22Å; L1070-F1080 HydrophobicContact CB-CD1 3.93Å; L1070-F1080 VanDerWaalsContact CB-CD1 3.44Å; L1070-F1080 HydrophobicContact CB-CD2 4.43Å; L1070-F1080 HydrophobicContact CB-CE1 3.43Å; L1070-F1080 VanDerWaalsContact CB-CE1 3.43Å; L1070-F1080 HydrophobicContact CB-CE2 4.35Å; L1070-F1080 HydrophobicContact CB-CG 3.99Å; L1070-F1080 HydrophobicContact CB-CZ 4.08Å; L1070-F1080 HydrophobicContact CD2-CB 4.36Å; L1070-F1080 HydrophobicContact CD2-CD1 4.29Å; L1070-F1080 HydrophobicContact CD2-CD2 4.03Å; L1070-F1080 HydrophobicContact CD2-CE1 4.32Å; L1070-F1080 HydrophobicContact CD2-CG 4.26Å; L1070-F1080 VanDerWaalsContact N-CE1 3.33Å |
| 1071 | R | 88.9 | Confident | 82.3 | Confident | 28.8 Ų | 28.8 | 22.3 Ų | 22.3 | 11% | 0.109 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.8 | 172.9 | -59 | 177.1 | -63.1 | 148.3 | 4.9 | 110.7 | A1058 T1059 L1069 L1076 V1077 V1103 Q1104 | A1058-R1071 CarbonylContact C-O 3.48Å; A1058-R1071 WeakPolarHBondContact CA-O 3.36Å; A1058-R1071 WeakPolarHBondContact CB-O 3.43Å; T1059-R1071 PolarHBondContact N-O 3.08Å; T1059-R1071 PolarHBondContact O-N 3.09Å; T1059-R1071 PolarHBondContact OG1-NE 3.06Å; T1059-R1071 PolarHBondContact OG1-NH2 2.98Å; L1069-R1071 HydrophobicContact CD2-CG 4.36Å; L1069-R1071 HydrophobicContact CG-CG 4.3Å; R1071-L1076 CarbonylContact C-O 3.5Å; R1071-L1076 VanDerWaalsContact CA-O 3.28Å; R1071-L1076 WeakPolarHBondContact CA-O 3.4Å; R1071-V1077 HydrophobicContact CG-CG2 4.35Å; R1071-V1103 PolarHBondContact NH1-O 3.03Å; R1071-Q1104 VanDerWaalsContact NH1-C 3.31Å; R1071-Q1104 PolarHBondContact NH1-O 2.91Å |
| 1072 | D | 86.7 | Confident | 81.3 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | trans | -75.9 | 174.3 | 171.9 | 97 | -19.9 | 0 | 0 | 0 | 111.9 | A1046 S1074 G1075 L1076 L1078 R1188 | A1046-D1072 WeakPolarHBondContact O-CB 3.35Å; D1072-S1074 PolarHBondContact O-N 3.08Å; D1072-S1074 VanDerWaalsContact O-N 3.13Å; D1072-S1074 WeakPolarHBondContact OD1-CA 3.26Å; D1072-S1074 WeakPolarHBondContact OD1-CB 3.36Å; D1072-S1074 PolarHBondContact OD1-N 3.13Å; D1072-S1074 PolarHBondContact OD1-OG 3.15Å; D1072-S1074 PolarHBondContact OD2-OG 3.1Å; D1072-G1075 PolarHBondContact O-N 3.02Å; D1072-G1075 PolarHBondContact OD1-N 3.2Å; D1072-L1076 PolarHBondContact N-O 3Å; D1072-L1076 WeakPolarHBondContact OD1-CB 3.46Å; D1072-L1076 PolarHBondContact OD1-N 3.11Å; D1072-L1076 VanDerWaalsContact OD1-N 3.15Å; D1072-L1078 HydrophobicContact CB-CD1 4.09Å; D1072-L1078 HydrophobicContact CB-CG 4.5Å; D1072-R1188 IonicContact OD2-CZ 2.95Å; D1072-R1188 VanDerWaalsContact OD2-CZ 3.23Å; D1072-R1188 IonicContact OD2-NE 3.44Å; D1072-R1188 PolarHBondContact OD2-NE 3.26Å; D1072-R1188 VanDerWaalsContact OD2-NE 3.12Å; D1072-R1188 IonicContact OD2-NH2 3.01Å; D1072-R1188 PolarHBondContact OD2-NH2 3.1Å | ||
| 1073 | P | 85 | Confident | 80.2 | Confident | 29.2 Ų | 29.2 | 20.8 Ų | 20.8 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.9 | -179.7 | -29 | 38.6 | 0 | 0 | 0 | 116.4 | L1047 P1049 G1056 | L1047-P1073 VanDerWaalsContact O-CD 3.26Å; L1047-P1073 WeakPolarHBondContact O-CD 3.42Å; L1047-P1073 VanDerWaalsContact O-CG 3.27Å; L1047-P1073 WeakPolarHBondContact O-CG 3.31Å; P1049-P1073 HydrophobicContact CB-CB 4Å; P1049-P1073 HydrophobicContact CB-CG 4.36Å; P1049-P1073 HydrophobicContact CG-CB 4.11Å; P1049-P1073 HydrophobicContact CG-CG 4.24Å; G1056-P1073 WeakPolarHBondContact O-CB 3.35Å; G1056-P1073 VanDerWaalsContact O-CG 3.24Å; G1056-P1073 WeakPolarHBondContact O-CG 3.36Å |
| 1074 | S | 84.4 | Confident | 79.1 | Confident | 49.6 Ų | 49.6 | 23.3 Ų | 23.3 | 35% | 0.347 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.6 | 173.7 | 67 | 0 | 0 | 0 | 0 | 113 | D1072 L1076 P1102 | D1072-S1074 PolarHBondContact O-N 3.08Å; D1072-S1074 VanDerWaalsContact O-N 3.13Å; D1072-S1074 WeakPolarHBondContact OD1-CA 3.26Å; D1072-S1074 WeakPolarHBondContact OD1-CB 3.36Å; D1072-S1074 PolarHBondContact OD1-N 3.13Å; D1072-S1074 PolarHBondContact OD1-OG 3.15Å; D1072-S1074 PolarHBondContact OD2-OG 3.1Å; S1074-L1076 WeakPolarHBondContact OG-CG 3.13Å; S1074-P1102 WeakPolarHBondContact O-CB 3.32Å |
| 1075 | G | 87.4 | Confident | 77.9 | Confident | 8.4 Ų | 8.4 | 30.2 Ų | 30.2 | 9% | 0.087 | 16% | 0.158 | C | C | . | . | trans | 90.7 | -0 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | D1072 V1077 V1103 | D1072-G1075 PolarHBondContact O-N 3.02Å; D1072-G1075 PolarHBondContact OD1-N 3.2Å; G1075-V1077 PolarHBondContact O-N 3.03Å; G1075-V1103 WeakPolarHBondContact CA-O 3.33Å; G1075-V1103 PolarHBondContact O-N 3.1Å | ||
| 1076 | L | 88.2 | Confident | 76.6 | Confident | 0.8 Ų | 0.8 | 31.9 Ų | 31.9 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | trans | -65.5 | 128.8 | 179.1 | -67.4 | 174.9 | 0 | 0 | 0 | 110.5 | R1071 D1072 S1074 L1078 P1102 L1184 R1188 | R1071-L1076 CarbonylContact C-O 3.5Å; R1071-L1076 VanDerWaalsContact CA-O 3.28Å; R1071-L1076 WeakPolarHBondContact CA-O 3.4Å; D1072-L1076 PolarHBondContact N-O 3Å; D1072-L1076 WeakPolarHBondContact OD1-CB 3.46Å; D1072-L1076 PolarHBondContact OD1-N 3.11Å; D1072-L1076 VanDerWaalsContact OD1-N 3.15Å; S1074-L1076 WeakPolarHBondContact OG-CG 3.13Å; L1076-L1078 PolarHBondContact O-N 2.87Å; L1076-P1102 HydrophobicContact CD2-CB 4.31Å; L1076-P1102 HydrophobicContact CD2-CG 3.83Å; L1076-P1102 HydrophobicContact CG-CG 4.49Å; L1076-L1184 HydrophobicContact CD1-CB 3.94Å; L1076-L1184 HydrophobicContact CD1-CD1 3.95Å; L1076-L1184 HydrophobicContact CD1-CG 4.48Å; L1076-L1184 HydrophobicContact CD2-CB 4.17Å; L1076-R1188 HydrophobicContact CD1-CB 4.48Å; L1076-R1188 HydrophobicContact CD1-CG 3.82Å | ||
| 1077 | V | 85.7 | Confident | 75 | Confident | 3.4 Ų | 3.4 | 33.8 Ų | 33.8 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.1 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | L29 L1069 R1071 G1075 L1098 L1100 V1103 D1186 G1187 H1278 | L29-V1077 HydrophobicContact CD1-CG1 4.5Å; L1069-V1077 HydrophobicContact CD1-CG1 3.74Å; L1069-V1077 HydrophobicContact CD1-CG2 4.15Å; R1071-V1077 HydrophobicContact CG-CG2 4.35Å; G1075-V1077 PolarHBondContact O-N 3.03Å; V1077-L1098 HydrophobicContact CG1-CD1 4.2Å; V1077-L1100 HydrophobicContact CB-CD1 4.16Å; V1077-L1100 HydrophobicContact CG1-CD1 4.27Å; V1077-L1100 HydrophobicContact CG2-CD1 3.88Å; V1077-L1100 HydrophobicContact CG2-CD2 3.91Å; V1077-V1103 HydrophobicContact CG2-CB 4.23Å; V1077-V1103 HydrophobicContact CG2-CG2 3.6Å; V1077-D1186 HydrophobicContact CB-CB 4.22Å; V1077-D1186 WeakPolarHBondContact O-CB 3.34Å; V1077-G1187 PolarHBondContact O-N 2.79Å; V1077-H1278 VanDerWaalsContact CG1-CE1 3.49Å; V1077-H1278 WeakPolarHBondContact CG1-CE1 3.31Å |
| 1078 | L | 82.1 | Confident | 73.3 | Confident | 9.2 Ų | 9.2 | 35 Ų | 35 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.6 | 171.7 | -66.9 | 162.1 | 0 | 0 | 0 | 108.5 | V1042 L1047 L1070 D1072 L1076 F1080 T1367 | V1042-L1078 HydrophobicContact CB-CD2 4.31Å; V1042-L1078 HydrophobicContact CG1-CD1 4.37Å; V1042-L1078 HydrophobicContact CG1-CD2 4.22Å; V1042-L1078 HydrophobicContact CG2-CD2 4.05Å; L1047-L1078 HydrophobicContact CD2-CD1 3.47Å; L1047-L1078 VanDerWaalsContact CD2-CD1 3.44Å; L1047-L1078 HydrophobicContact CD2-CD2 4.32Å; L1047-L1078 HydrophobicContact CG-CD1 4.12Å; L1070-L1078 HydrophobicContact CB-CB 4.49Å; L1070-L1078 HydrophobicContact CD2-CB 3.96Å; L1070-L1078 HydrophobicContact CD2-CD1 4.12Å; L1070-L1078 HydrophobicContact CG-CB 4.07Å; L1070-L1078 HydrophobicContact CG-CD1 4.16Å; L1070-L1078 PolarHBondContact O-N 3.11Å; D1072-L1078 HydrophobicContact CB-CD1 4.09Å; D1072-L1078 HydrophobicContact CB-CG 4.5Å; L1076-L1078 PolarHBondContact O-N 2.87Å; L1078-F1080 WeakPolarHBondContact O-CB 3.29Å; L1078-F1080 PolarHBondContact O-N 3.03Å; L1078-F1080 VanDerWaalsContact O-N 3.09Å; L1078-T1367 HydrophobicContact CD2-CG2 3.65Å |
| 1079 | S | 71.2 | Confident | 71.5 | Confident | 33.2 Ų | 33.2 | 41.7 Ų | 41.7 | 23% | 0.232 | 24% | 0.238 | C | C | . | . | trans | -59.6 | 111.6 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | L1095 M1096 H1278 | S1079-L1095 PolarHBondContact OG-O 3.22Å; S1079-M1096 PolarHBondContact OG-O 3.22Å; S1079-M1096 VanDerWaalsContact OG-O 3.08Å; S1079-H1278 PolarHBondContact OG-NE2 3.38Å | ||
| 1080 | F | 72.8 | Confident | 69.6 | Low | 10.4 Ų | 10.4 | 45.6 Ų | 45.6 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | trans | -142.5 | 126.1 | -175.5 | 141.5 | -101.6 | 0 | 0 | 0 | 109.9 | Q22 Y1025 M1040 L1068 L1070 L1078 P1082 W1092 S1276 | Q22-F1080 PolarHBondContact NE2-O 3.18Å; Y1025-F1080 HydrophobicContact CD1-CE2 4.27Å; Y1025-F1080 AromaticContact CD1-CZ 3.94Å; Y1025-F1080 HydrophobicContact CD1-CZ 4.01Å; Y1025-F1080 HydrophobicContact CD2-CE1 4.29Å; Y1025-F1080 AromaticContact CD2-CE2 3.99Å; Y1025-F1080 HydrophobicContact CD2-CE2 4.21Å; Y1025-F1080 AromaticContact CD2-CZ 3.73Å; Y1025-F1080 HydrophobicContact CD2-CZ 3.73Å; Y1025-F1080 HydrophobicContact CE1-CE2 4.43Å; Y1025-F1080 AromaticContact CE1-CZ 3.94Å; Y1025-F1080 HydrophobicContact CE1-CZ 4.1Å; Y1025-F1080 AromaticContact CE2-CE1 3.99Å; Y1025-F1080 HydrophobicContact CE2-CE1 4.08Å; Y1025-F1080 AromaticContact CE2-CE2 3.95Å; Y1025-F1080 HydrophobicContact CE2-CE2 4.04Å; Y1025-F1080 AromaticContact CE2-CZ 3.55Å; Y1025-F1080 HydrophobicContact CE2-CZ 3.55Å; Y1025-F1080 VanDerWaalsContact CE2-CZ 3.45Å; Y1025-F1080 HydrophobicContact CG-CE2 4.32Å; Y1025-F1080 AromaticContact CG-CZ 3.83Å; Y1025-F1080 HydrophobicContact CG-CZ 3.83Å; Y1025-F1080 AromaticContact CZ-CZ 3.72Å; M1040-F1080 HydrophobicContact CE-CB 4.19Å; M1040-F1080 HydrophobicContact CE-CD2 3.99Å; M1040-F1080 HydrophobicContact CE-CE2 4.34Å; M1040-F1080 HydrophobicContact CE-CG 3.92Å; L1068-F1080 HydrophobicContact CB-CD1 4.28Å; L1068-F1080 HydrophobicContact CB-CE1 3.95Å; L1068-F1080 HydrophobicContact CB-CZ 3.9Å; L1068-F1080 HydrophobicContact CD1-CE1 4.22Å; L1068-F1080 HydrophobicContact CD1-CZ 4.32Å; L1068-F1080 WeakPolarHBondContact O-CE1 3.42Å; L1070-F1080 HydrophobicContact CB-CB 4.22Å; L1070-F1080 HydrophobicContact CB-CD1 3.93Å; L1070-F1080 VanDerWaalsContact CB-CD1 3.44Å; L1070-F1080 HydrophobicContact CB-CD2 4.43Å; L1070-F1080 HydrophobicContact CB-CE1 3.43Å; L1070-F1080 VanDerWaalsContact CB-CE1 3.43Å; L1070-F1080 HydrophobicContact CB-CE2 4.35Å; L1070-F1080 HydrophobicContact CB-CG 3.99Å; L1070-F1080 HydrophobicContact CB-CZ 4.08Å; L1070-F1080 HydrophobicContact CD2-CB 4.36Å; L1070-F1080 HydrophobicContact CD2-CD1 4.29Å; L1070-F1080 HydrophobicContact CD2-CD2 4.03Å; L1070-F1080 HydrophobicContact CD2-CE1 4.32Å; L1070-F1080 HydrophobicContact CD2-CG 4.26Å; L1070-F1080 VanDerWaalsContact N-CE1 3.33Å; L1078-F1080 WeakPolarHBondContact O-CB 3.29Å; L1078-F1080 PolarHBondContact O-N 3.03Å; L1078-F1080 VanDerWaalsContact O-N 3.09Å; F1080-P1082 HydrophobicContact CD1-CG 4.41Å; F1080-P1082 HydrophobicContact CD2-CG 4.32Å; F1080-P1082 HydrophobicContact CE1-CB 4.21Å; F1080-P1082 HydrophobicContact CE1-CG 3.93Å; F1080-P1082 HydrophobicContact CE2-CB 4.01Å; F1080-P1082 HydrophobicContact CE2-CG 3.84Å; F1080-P1082 HydrophobicContact CZ-CB 3.88Å; F1080-P1082 HydrophobicContact CZ-CG 3.99Å; F1080-W1092 HydrophobicContact CB-CZ3 4.14Å; F1080-W1092 AromaticContact CD2-CE3 3.94Å; F1080-W1092 HydrophobicContact CD2-CE3 3.98Å; F1080-W1092 AromaticContact CD2-CH2 3.32Å; F1080-W1092 HydrophobicContact CD2-CH2 3.9Å; F1080-W1092 VanDerWaalsContact CD2-CH2 3.43Å; F1080-W1092 HydrophobicContact CD2-CZ2 4.34Å; F1080-W1092 AromaticContact CD2-CZ3 3.33Å; F1080-W1092 HydrophobicContact CD2-CZ3 3.61Å; F1080-W1092 HydrophobicContact CE2-CE3 4.39Å; F1080-W1092 AromaticContact CE2-CH2 3.47Å; F1080-W1092 HydrophobicContact CE2-CH2 3.47Å; F1080-W1092 AromaticContact CE2-CZ2 4Å; F1080-W1092 HydrophobicContact CE2-CZ2 4.01Å; F1080-W1092 AromaticContact CE2-CZ3 3.72Å; F1080-W1092 HydrophobicContact CE2-CZ3 3.72Å; F1080-W1092 HydrophobicContact CG-CH2 4.29Å; F1080-W1092 AromaticContact CG-CZ3 3.9Å; F1080-W1092 HydrophobicContact CG-CZ3 4.13Å; F1080-W1092 HydrophobicContact CZ-CH2 4.25Å; F1080-S1276 VanDerWaalsContact O-CB 3.31Å; F1080-S1276 WeakPolarHBondContact O-CB 3.38Å; F1080-S1276 PolarHBondContact O-OG 3.13Å | ||
| 1081 | I | 68.7 | Low | 67.8 | Low | 46.8 Ų | 46.8 | 49.7 Ų | 49.7 | 24% | 0.24 | 28% | 0.277 | C | S | . | . | trans | -111.7 | 115.9 | 165.2 | -70.4 | 173.7 | 0 | 0 | 0 | 107.4 | C19 Q22 N23 T1093 L1095 S1276 H1278 | C19-I1081 HydrophobicContact CB-CG2 4.43Å; Q22-I1081 HydrophobicContact CG-CB 4.49Å; Q22-I1081 HydrophobicContact CG-CG1 4.09Å; N23-I1081 WeakPolarHBondContact OD1-CD1 3.11Å; I1081-T1093 WeakPolarHBondContact CD1-OG1 3.44Å; I1081-L1095 HydrophobicContact CB-CD1 4.11Å; I1081-L1095 HydrophobicContact CD1-CD1 3.92Å; I1081-L1095 HydrophobicContact CD1-CD2 3.75Å; I1081-L1095 HydrophobicContact CD1-CG 4.24Å; I1081-L1095 HydrophobicContact CG1-CD1 3.73Å; I1081-L1095 HydrophobicContact CG1-CD2 4.19Å; I1081-L1095 HydrophobicContact CG1-CG 4.46Å; I1081-S1276 WeakPolarHBondContact CG1-OG 3.09Å; I1081-H1278 HydrophobicContact CD1-CB 4.36Å | ||
| 1082 | P | 66.6 | Low | 66.2 | Low | 10.8 Ų | 10.8 | 49.8 Ų | 49.8 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | trans | -65.8 | 139.5 | 169.8 | -9.4 | 19.1 | 0 | 0 | 0 | 110.8 | Y1025 H1066 L1068 F1080 S1084 | Y1025-P1082 HydrophobicContact CE1-CB 3.9Å; Y1025-P1082 HydrophobicContact CE1-CG 4.34Å; Y1025-P1082 WeakPolarHBondContact OH-CB 3.36Å; Y1025-P1082 WeakPolarHBondContact OH-CG 3.39Å; H1066-P1082 VanDerWaalsContact CE1-CG 3.41Å; H1066-P1082 WeakPolarHBondContact CE1-CG 3.2Å; L1068-P1082 HydrophobicContact CB-CG 4.43Å; L1068-P1082 HydrophobicContact CD1-CG 3.95Å; L1068-P1082 HydrophobicContact CG-CG 4.21Å; F1080-P1082 HydrophobicContact CD1-CG 4.41Å; F1080-P1082 HydrophobicContact CD2-CG 4.32Å; F1080-P1082 HydrophobicContact CE1-CB 4.21Å; F1080-P1082 HydrophobicContact CE1-CG 3.93Å; F1080-P1082 HydrophobicContact CE2-CB 4.01Å; F1080-P1082 HydrophobicContact CE2-CG 3.84Å; F1080-P1082 HydrophobicContact CZ-CB 3.88Å; F1080-P1082 HydrophobicContact CZ-CG 3.99Å; P1082-S1084 PolarHBondContact O-N 3.03Å | ||
| 1083 | P | 63.3 | Low | 64.4 | Low | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | trans | -62 | 134.9 | 174.8 | 20.5 | -26.8 | 0 | 0 | 0 | 110.7 | I1036 Q1038 R1085 E1090 | I1036-P1083 HydrophobicContact CD1-CG 4.19Å; I1036-P1083 HydrophobicContact CG2-CG 3.88Å; Q1038-P1083 VanDerWaalsContact CD-CG 3.48Å; Q1038-P1083 VanDerWaalsContact OE1-CD 3.25Å; Q1038-P1083 VanDerWaalsContact OE1-CG 3.32Å; P1083-R1085 VanDerWaalsContact C-N 3.3Å; P1083-R1085 PolarHBondContact O-N 3.14Å; P1083-E1090 HydrophobicContact CB-CB 4.5Å | ||
| 1084 | S | 58.1 | Low | 62.8 | Low | 64.4 Ų | 64.4 | 56.6 Ų | 56.6 | 45% | 0.45 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -72 | -26.4 | -176.8 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | P1082 E1090 | P1082-S1084 PolarHBondContact O-N 3.03Å; S1084-E1090 WeakPolarHBondContact CB-OE2 3.21Å; S1084-E1090 PolarHBondContact N-OE2 3.15Å; S1084-E1090 PolarHBondContact OG-OE1 2.96Å; S1084-E1090 PolarHBondContact OG-OE2 2.92Å |
| 1085 | R | 54.3 | Low | 61.5 | Low | 178.4 Ų | 178.4 | 56.2 Ų | 56.2 | 67% | 0.673 | 31% | 0.308 | S | S | * | . | trans | -145.2 | 158.5 | -175.6 | -63.1 | -175.2 | -179 | -135.8 | -1.1 | 111 | E164 P1083 A1087 | E164-R1085 IonicContact OE1-CZ 2.74Å; E164-R1085 IonicContact OE1-NH1 2.71Å; E164-R1085 PolarHBondContact OE1-NH1 2.74Å; E164-R1085 IonicContact OE1-NH2 3.2Å; E164-R1085 PolarHBondContact OE1-NH2 2.82Å; P1083-R1085 VanDerWaalsContact C-N 3.3Å; P1083-R1085 PolarHBondContact O-N 3.14Å; R1085-A1087 VanDerWaalsContact C-N 3.29Å; R1085-A1087 PolarHBondContact O-N 2.95Å | ||
| 1086 | T | 50.3 | Low | 60.4 | Low | 99.6 Ų | 99.6 | 62 Ų | 62 | 61% | 0.611 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.3 | 178.9 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | I1035 I1036 S1088 | I1035-T1086 HydrophobicContact CG2-CG2 3.56Å; I1035-T1086 VanDerWaalsContact CG2-CG2 3.48Å; I1035-T1086 VanDerWaalsContact O-CG2 3.29Å; I1035-T1086 WeakPolarHBondContact O-CG2 3.39Å; I1036-T1086 HydrophobicContact CB-CG2 4.42Å; I1036-T1086 HydrophobicContact CG1-CG2 4.08Å; T1086-S1088 PolarHBondContact O-N 2.72Å |
| 1087 | A | 41.4 | Very low | 59.6 | Low | 92.4 Ų | 92.4 | 63.9 Ų | 63.9 | 76% | 0.764 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -4.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1085 | R1085-A1087 VanDerWaalsContact C-N 3.29Å; R1085-A1087 PolarHBondContact O-N 2.95Å |
| 1088 | S | 43.5 | Very low | 59 | Low | 40.4 Ų | 40.4 | 64.6 Ų | 64.6 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -101.1 | 136.2 | 172.6 | 42.3 | 0 | 0 | 0 | 0 | 110.2 | T1086 E1090 | T1086-S1088 PolarHBondContact O-N 2.72Å; S1088-E1090 VanDerWaalsContact CB-OE1 3.3Å; S1088-E1090 WeakPolarHBondContact CB-OE1 3.46Å; S1088-E1090 VanDerWaalsContact CB-OE2 3.23Å; S1088-E1090 WeakPolarHBondContact CB-OE2 3.18Å; S1088-E1090 PolarHBondContact O-N 3.12Å; S1088-E1090 VanDerWaalsContact OG-CD 3.26Å; S1088-E1090 PolarHBondContact OG-OE1 3.19Å; S1088-E1090 PolarHBondContact OG-OE2 3.07Å |
| 1089 | H | 47.4 | Very low | 59 | Low | 146.2 Ų | 146.2 | 66.4 Ų | 66.4 | 68% | 0.677 | 36% | 0.361 | S | S | * | . | trans | -75 | 41.9 | 167.7 | -80.7 | -97.8 | 0 | 0 | 0 | 111.4 | I1091 T1456 | H1089-I1091 VanDerWaalsContact C-N 3.25Å; H1089-I1091 PolarHBondContact O-N 2.94Å; H1089-T1456 WeakPolarHBondContact O-CA 3.4Å | ||
| 1090 | E | 46.6 | Very low | 59.6 | Low | 89.2 Ų | 89.2 | 65.1 Ų | 65.1 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | trans | -68.8 | 77.1 | 169.8 | -80.4 | 161.6 | -153.4 | 0 | 0 | 108.7 | Q1038 P1083 S1084 S1088 W1092 | Q1038-E1090 PolarHBondContact NE2-O 2.91Å; Q1038-E1090 VanDerWaalsContact NE2-O 3.11Å; P1083-E1090 HydrophobicContact CB-CB 4.5Å; S1084-E1090 WeakPolarHBondContact CB-OE2 3.21Å; S1084-E1090 PolarHBondContact N-OE2 3.15Å; S1084-E1090 PolarHBondContact OG-OE1 2.96Å; S1084-E1090 PolarHBondContact OG-OE2 2.92Å; S1088-E1090 VanDerWaalsContact CB-OE1 3.3Å; S1088-E1090 WeakPolarHBondContact CB-OE1 3.46Å; S1088-E1090 VanDerWaalsContact CB-OE2 3.23Å; S1088-E1090 WeakPolarHBondContact CB-OE2 3.18Å; S1088-E1090 PolarHBondContact O-N 3.12Å; S1088-E1090 VanDerWaalsContact OG-CD 3.26Å; S1088-E1090 PolarHBondContact OG-OE1 3.19Å; S1088-E1090 PolarHBondContact OG-OE2 3.07Å; E1090-W1092 PolarHBondContact O-N 3.12Å | ||
| 1091 | I | 50.5 | Low | 60.3 | Low | 89.2 Ų | 89.2 | 64.7 Ų | 64.7 | 46% | 0.457 | 35% | 0.35 | S | S | . | . | trans | -66.9 | 123.2 | 164.1 | -59.8 | 168.9 | 0 | 0 | 0 | 106.2 | H1089 T1093 T1456 | H1089-I1091 VanDerWaalsContact C-N 3.25Å; H1089-I1091 PolarHBondContact O-N 2.94Å; I1091-T1093 PolarHBondContact O-N 3.06Å; I1091-T1093 VanDerWaalsContact O-N 3.09Å; I1091-T1456 HydrophobicContact CB-CG2 3.88Å; I1091-T1456 WeakPolarHBondContact O-CG2 3.35Å | ||
| 1092 | W | 55.9 | Low | 61.2 | Low | 29.6 Ų | 29.6 | 62.9 Ų | 62.9 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | trans | -19 | 105.8 | 175.3 | -54.8 | 82.7 | 0 | 0 | 0 | 114 | Y1025 Q1038 K1039 M1040 P1041 F1080 E1090 N1094 | Y1025-W1092 HydrophobicContact CD1-CH2 4.36Å; Y1025-W1092 HydrophobicContact CD1-CZ2 4.47Å; Y1025-W1092 HydrophobicContact CG-CH2 4.26Å; Y1025-W1092 HydrophobicContact CG-CZ2 4.47Å; Q1038-W1092 HydrophobicContact CB-CZ2 4.24Å; Q1038-W1092 VanDerWaalsContact CD-CZ2 3.5Å; Q1038-W1092 HydrophobicContact CG-CZ2 3.72Å; Q1038-W1092 VanDerWaalsContact OE1-CE2 3.28Å; Q1038-W1092 VanDerWaalsContact OE1-NE1 3.14Å; K1039-W1092 PolarHBondContact O-NE1 3.04Å; K1039-W1092 VanDerWaalsContact O-NE1 3.15Å; M1040-W1092 HydrophobicContact CB-CH2 4.24Å; M1040-W1092 HydrophobicContact CB-CZ2 4.17Å; M1040-W1092 HydrophobicContact CB-CZ3 4.48Å; M1040-W1092 HydrophobicContact CE-CH2 3.87Å; M1040-W1092 HydrophobicContact CE-CZ2 4.39Å; M1040-W1092 HydrophobicContact CE-CZ3 4.14Å; M1040-W1092 HydrophobicContact CG-CH2 3.69Å; M1040-W1092 HydrophobicContact CG-CZ2 3.91Å; M1040-W1092 HydrophobicContact CG-CZ3 4.34Å; M1040-W1092 HydrophobicContact SD-CH2 3.93Å; M1040-W1092 WeakPolarHBondContact SD-CH2 3.37Å; M1040-W1092 HydrophobicContact SD-CZ2 3.43Å; M1040-W1092 WeakPolarHBondContact SD-CZ2 3.16Å; M1040-W1092 HydrophobicContact SD-CZ3 4.24Å; P1041-W1092 HydrophobicContact CB-CB 4.45Å; P1041-W1092 HydrophobicContact CB-CG 4.47Å; P1041-W1092 VanDerWaalsContact CD-CD2 3.49Å; P1041-W1092 VanDerWaalsContact CD-CG 3.48Å; P1041-W1092 HydrophobicContact CG-CB 3.98Å; P1041-W1092 HydrophobicContact CG-CD2 4.05Å; P1041-W1092 HydrophobicContact CG-CE3 3.98Å; P1041-W1092 HydrophobicContact CG-CG 4.01Å; P1041-W1092 HydrophobicContact CG-CZ3 4.37Å; F1080-W1092 HydrophobicContact CB-CZ3 4.14Å; F1080-W1092 AromaticContact CD2-CE3 3.94Å; F1080-W1092 HydrophobicContact CD2-CE3 3.98Å; F1080-W1092 AromaticContact CD2-CH2 3.32Å; F1080-W1092 HydrophobicContact CD2-CH2 3.9Å; F1080-W1092 VanDerWaalsContact CD2-CH2 3.43Å; F1080-W1092 HydrophobicContact CD2-CZ2 4.34Å; F1080-W1092 AromaticContact CD2-CZ3 3.33Å; F1080-W1092 HydrophobicContact CD2-CZ3 3.61Å; F1080-W1092 HydrophobicContact CE2-CE3 4.39Å; F1080-W1092 AromaticContact CE2-CH2 3.47Å; F1080-W1092 HydrophobicContact CE2-CH2 3.47Å; F1080-W1092 AromaticContact CE2-CZ2 4Å; F1080-W1092 HydrophobicContact CE2-CZ2 4.01Å; F1080-W1092 AromaticContact CE2-CZ3 3.72Å; F1080-W1092 HydrophobicContact CE2-CZ3 3.72Å; F1080-W1092 HydrophobicContact CG-CH2 4.29Å; F1080-W1092 AromaticContact CG-CZ3 3.9Å; F1080-W1092 HydrophobicContact CG-CZ3 4.13Å; F1080-W1092 HydrophobicContact CZ-CH2 4.25Å; E1090-W1092 PolarHBondContact O-N 3.12Å; W1092-N1094 VanDerWaalsContact C-N 3.33Å; W1092-N1094 PolarHBondContact O-N 3.19Å | ||
| 1093 | T | 49.5 | Very low | 62.3 | Low | 76.8 Ų | 76.8 | 62.4 Ų | 62.4 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | trans | -59.3 | 128.6 | 167 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | I1081 I1091 L1095 | I1081-T1093 WeakPolarHBondContact CD1-OG1 3.44Å; I1091-T1093 PolarHBondContact O-N 3.06Å; I1091-T1093 VanDerWaalsContact O-N 3.09Å; T1093-L1095 VanDerWaalsContact C-N 3.35Å; T1093-L1095 WeakPolarHBondContact O-CG 3.36Å; T1093-L1095 PolarHBondContact O-N 3.28Å | ||
| 1094 | N | 51.4 | Low | 63.6 | Low | 99.2 Ų | 99.2 | 66.7 Ų | 66.7 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | trans | -69.9 | 89.5 | 178.6 | -123.2 | -13.1 | 0 | 0 | 0 | 109.5 | W1092 M1096 E1368 | W1092-N1094 VanDerWaalsContact C-N 3.33Å; W1092-N1094 PolarHBondContact O-N 3.19Å; N1094-M1096 PolarHBondContact O-N 3.07Å; N1094-E1368 PolarHBondContact ND2-OE1 3.47Å | ||
| 1095 | L | 56.9 | Low | 65 | Low | 41.4 Ų | 41.4 | 66.2 Ų | 66.2 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 128.9 | -175.2 | -74.7 | 159.9 | 0 | 0 | 0 | 110.2 | S1079 I1081 T1093 S1097 H1278 | S1079-L1095 PolarHBondContact OG-O 3.22Å; I1081-L1095 HydrophobicContact CB-CD1 4.11Å; I1081-L1095 HydrophobicContact CD1-CD1 3.92Å; I1081-L1095 HydrophobicContact CD1-CD2 3.75Å; I1081-L1095 HydrophobicContact CD1-CG 4.24Å; I1081-L1095 HydrophobicContact CG1-CD1 3.73Å; I1081-L1095 HydrophobicContact CG1-CD2 4.19Å; I1081-L1095 HydrophobicContact CG1-CG 4.46Å; T1093-L1095 VanDerWaalsContact C-N 3.35Å; T1093-L1095 WeakPolarHBondContact O-CG 3.36Å; T1093-L1095 PolarHBondContact O-N 3.28Å; L1095-S1097 PolarHBondContact O-N 3.01Å; L1095-H1278 VanDerWaalsContact CD2-NE2 3.29Å; L1095-H1278 WeakPolarHBondContact CD2-NE2 3.48Å |
| 1096 | M | 64.3 | Low | 66.7 | Low | 130.4 Ų | 130.4 | 58.4 Ų | 58.4 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 143.4 | 173.5 | -65.3 | 177.4 | 67 | 0 | 0 | 110.4 | S1079 N1094 L1098 H1278 R1283 | S1079-M1096 PolarHBondContact OG-O 3.22Å; S1079-M1096 VanDerWaalsContact OG-O 3.08Å; N1094-M1096 PolarHBondContact O-N 3.07Å; M1096-L1098 PolarHBondContact O-N 3.19Å; M1096-H1278 PolarHBondContact O-CE1 2.85Å; M1096-R1283 PolarHBondContact O-NH2 3.46Å |
| 1097 | S | 71.8 | Confident | 68.6 | Low | 41.8 Ų | 41.8 | 56.8 Ų | 56.8 | 29% | 0.292 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 148.6 | 167.7 | -55 | 0 | 0 | 0 | 0 | 110.3 | L1095 D1099 D1186 R1189 | L1095-S1097 PolarHBondContact O-N 3.01Å; S1097-D1099 VanDerWaalsContact C-N 3.26Å; S1097-D1099 PolarHBondContact O-N 2.85Å; S1097-D1186 VanDerWaalsContact CA-OD2 3.29Å; S1097-D1186 WeakPolarHBondContact CA-OD2 3.29Å; S1097-D1186 VanDerWaalsContact CB-OD2 3.31Å; S1097-D1186 WeakPolarHBondContact CB-OD2 3.33Å; S1097-R1189 VanDerWaalsContact CB-CZ 3.4Å; S1097-R1189 PolarHBondContact OG-NE 3.03Å |
| 1098 | L | 72.3 | Confident | 70.8 | Confident | 18.2 Ų | 18.2 | 53.4 Ų | 53.4 | 10% | 0.095 | 29% | 0.288 | C | S | . | . | trans | -90.5 | -6.6 | -176.9 | -64.6 | 171.9 | 0 | 0 | 0 | 113.1 | H26 L29 K30 S33 K37 V1077 M1096 L1100 D1186 H1278 E1279 F1281 I1282 R1283 | H26-L1098 VanDerWaalsContact CE1-CD2 3.48Å; H26-L1098 WeakPolarHBondContact CE1-CD2 3.35Å; L29-L1098 HydrophobicContact CB-CD1 3.83Å; L29-L1098 HydrophobicContact CB-CD2 4.34Å; L29-L1098 HydrophobicContact CD1-CD1 4.37Å; K30-L1098 HydrophobicContact CB-CD2 3.66Å; K30-L1098 HydrophobicContact CG-CD2 4.36Å; S33-L1098 VanDerWaalsContact CB-O 3.27Å; S33-L1098 WeakPolarHBondContact CB-O 3.18Å; S33-L1098 PolarHBondContact OG-O 3.09Å; K37-L1098 PolarHBondContact NZ-O 3Å; K37-L1098 VanDerWaalsContact NZ-O 3.08Å; V1077-L1098 HydrophobicContact CG1-CD1 4.2Å; M1096-L1098 PolarHBondContact O-N 3.19Å; L1098-L1100 VanDerWaalsContact C-N 3.28Å; L1098-L1100 HydrophobicContact CB-CB 4.2Å; L1098-L1100 HydrophobicContact CB-CD1 3.84Å; L1098-L1100 HydrophobicContact CB-CD2 3.76Å; L1098-L1100 HydrophobicContact CB-CG 3.76Å; L1098-L1100 HydrophobicContact CD1-CD1 3.92Å; L1098-L1100 HydrophobicContact CD1-CD2 4.14Å; L1098-L1100 HydrophobicContact CD1-CG 4.3Å; L1098-L1100 HydrophobicContact CG-CD1 4.39Å; L1098-L1100 PolarHBondContact O-N 3.06Å; L1098-D1186 PolarHBondContact N-OD2 3.22Å; L1098-H1278 VanDerWaalsContact CD1-CE1 3.44Å; L1098-H1278 WeakPolarHBondContact CD1-CE1 3.24Å; L1098-H1278 VanDerWaalsContact CD1-ND1 3.34Å; L1098-H1278 WeakPolarHBondContact CD1-ND1 3.24Å; L1098-H1278 WeakPolarHBondContact CD1-O 3.33Å; L1098-H1278 HydrophobicContact CD2-CB 4.4Å; L1098-H1278 WeakPolarHBondContact CD2-ND1 3.44Å; L1098-H1278 VanDerWaalsContact CG-CE1 3.48Å; L1098-H1278 WeakPolarHBondContact CG-CE1 3.5Å; L1098-H1278 WeakPolarHBondContact CG-ND1 3.41Å; L1098-E1279 HydrophobicContact CD2-CG 4.23Å; L1098-F1281 HydrophobicContact CD1-CB 3.92Å; L1098-F1281 HydrophobicContact CD1-CD2 3.97Å; L1098-F1281 HydrophobicContact CD1-CG 4.2Å; L1098-F1281 HydrophobicContact CD2-CB 3.94Å; L1098-F1281 HydrophobicContact CG-CB 4.44Å; L1098-I1282 HydrophobicContact CD1-CB 4.28Å; L1098-I1282 HydrophobicContact CD1-CD1 3.54Å; L1098-I1282 HydrophobicContact CD1-CG2 3.92Å; L1098-I1282 HydrophobicContact CD2-CD1 3.93Å; L1098-I1282 HydrophobicContact CD2-CG1 3.66Å; L1098-I1282 VanDerWaalsContact CD2-CG1 3.42Å; L1098-R1283 HydrophobicContact CD1-CG 3.98Å; L1098-R1283 HydrophobicContact CD2-CG 3.41Å; L1098-R1283 VanDerWaalsContact CD2-CG 3.41Å; L1098-R1283 HydrophobicContact CG-CG 4.35Å | ||
| 1099 | D | 82.6 | Confident | 72.8 | Confident | 45.4 Ų | 45.4 | 53.4 Ų | 53.4 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | trans | 62 | 32.5 | -171.1 | -54.8 | -40.3 | 0 | 0 | 0 | 113 | S33 K37 S1097 L1157 D1186 R1189 M1194 R1283 F1324 | S33-D1099 PolarHBondContact OG-O 3.36Å; K37-D1099 IonicContact NZ-OD2 3.34Å; K37-D1099 PolarHBondContact NZ-OD2 3.33Å; S1097-D1099 VanDerWaalsContact C-N 3.26Å; S1097-D1099 PolarHBondContact O-N 2.85Å; D1099-L1157 HydrophobicContact CB-CD1 4.07Å; D1099-L1157 HydrophobicContact CB-CD2 3.63Å; D1099-L1157 HydrophobicContact CB-CG 4.48Å; D1099-D1186 VanDerWaalsContact CA-OD1 3.28Å; D1099-D1186 WeakPolarHBondContact CA-OD1 3.41Å; D1099-D1186 PolarHBondContact N-OD1 3.12Å; D1099-D1186 PolarHBondContact N-OD2 3.04Å; D1099-R1189 VanDerWaalsContact CA-NH2 3.32Å; D1099-R1189 IonicContact OD1-CZ 3.16Å; D1099-R1189 VanDerWaalsContact OD1-CZ 3.23Å; D1099-R1189 IonicContact OD1-NH1 3.14Å; D1099-R1189 PolarHBondContact OD1-NH1 2.99Å; D1099-R1189 IonicContact OD1-NH2 3.34Å; D1099-R1189 PolarHBondContact OD1-NH2 3.15Å; D1099-M1194 HydrophobicContact CB-CE 4.12Å; D1099-M1194 HydrophobicContact CB-SD 4.43Å; D1099-R1283 IonicContact OD2-NH2 3.84Å; D1099-F1324 HydrophobicContact CB-CZ 4.3Å; D1099-F1324 WeakPolarHBondContact O-CZ 3.37Å | ||
| 1100 | L | 82.8 | Confident | 74.4 | Confident | 6.4 Ų | 6.4 | 49.3 Ų | 49.3 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 133.6 | -179.7 | -80.4 | 164.2 | 0 | 0 | 0 | 111.4 | I32 I36 V1077 L1098 V1103 A1185 D1186 I1282 I1286 F1324 W1325 | I32-L1100 HydrophobicContact CG2-CD1 3.95Å; I36-L1100 HydrophobicContact CD1-CD1 4Å; V1077-L1100 HydrophobicContact CB-CD1 4.16Å; V1077-L1100 HydrophobicContact CG1-CD1 4.27Å; V1077-L1100 HydrophobicContact CG2-CD1 3.88Å; V1077-L1100 HydrophobicContact CG2-CD2 3.91Å; L1098-L1100 VanDerWaalsContact C-N 3.28Å; L1098-L1100 HydrophobicContact CB-CB 4.2Å; L1098-L1100 HydrophobicContact CB-CD1 3.84Å; L1098-L1100 HydrophobicContact CB-CD2 3.76Å; L1098-L1100 HydrophobicContact CB-CG 3.76Å; L1098-L1100 HydrophobicContact CD1-CD1 3.92Å; L1098-L1100 HydrophobicContact CD1-CD2 4.14Å; L1098-L1100 HydrophobicContact CD1-CG 4.3Å; L1098-L1100 HydrophobicContact CG-CD1 4.39Å; L1098-L1100 PolarHBondContact O-N 3.06Å; L1100-V1103 HydrophobicContact CD2-CG2 3.64Å; L1100-A1185 WeakPolarHBondContact O-CA 3.38Å; L1100-D1186 HydrophobicContact CB-CB 4.28Å; L1100-D1186 VanDerWaalsContact N-CG 3.32Å; L1100-D1186 PolarHBondContact N-OD1 2.92Å; L1100-D1186 PolarHBondContact N-OD2 3.31Å; L1100-D1186 PolarHBondContact O-N 2.95Å; L1100-I1282 HydrophobicContact CD1-CD1 4.23Å; L1100-I1282 HydrophobicContact CD1-CG2 4.17Å; L1100-I1282 HydrophobicContact CD2-CG2 3.9Å; L1100-I1286 HydrophobicContact CD2-CD1 4.13Å; L1100-F1324 HydrophobicContact CD2-CE2 3.84Å; L1100-F1324 HydrophobicContact CD2-CZ 4.39Å; L1100-W1325 HydrophobicContact CD2-CH2 3.82Å; L1100-W1325 HydrophobicContact CD2-CZ2 3.77Å; L1100-W1325 VanDerWaalsContact CD2-CZ2 3.5Å |
| 1101 | P | 87.7 | Confident | 76 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 169.7 | 161.9 | 21.8 | -23.8 | 0 | 0 | 0 | 111.4 | V1103 V1147 L1150 F1324 W1325 | P1101-V1103 PolarHBondContact O-N 3.14Å; P1101-V1147 HydrophobicContact CB-CB 4.37Å; P1101-V1147 HydrophobicContact CB-CG1 3.58Å; P1101-V1147 HydrophobicContact CG-CB 3.96Å; P1101-V1147 HydrophobicContact CG-CG1 3.9Å; P1101-V1147 HydrophobicContact CG-CG2 4.15Å; P1101-L1150 HydrophobicContact CB-CD1 3.71Å; P1101-L1150 HydrophobicContact CB-CG 4.04Å; P1101-F1324 HydrophobicContact CB-CD2 4.27Å; P1101-F1324 HydrophobicContact CB-CE2 4.1Å; P1101-F1324 VanDerWaalsContact CD-CE1 3.44Å; P1101-F1324 VanDerWaalsContact CD-CZ 3.46Å; P1101-F1324 HydrophobicContact CG-CB 4.35Å; P1101-F1324 HydrophobicContact CG-CD1 4.07Å; P1101-F1324 HydrophobicContact CG-CD2 3.92Å; P1101-F1324 HydrophobicContact CG-CE1 4.08Å; P1101-F1324 HydrophobicContact CG-CE2 3.88Å; P1101-F1324 HydrophobicContact CG-CG 4.13Å; P1101-F1324 HydrophobicContact CG-CZ 4.04Å; P1101-W1325 HydrophobicContact CG-CD2 4.19Å; P1101-W1325 HydrophobicContact CG-CE3 3.87Å; P1101-W1325 HydrophobicContact CG-CH2 3.33Å; P1101-W1325 HydrophobicContact CG-CZ2 3.92Å; P1101-W1325 HydrophobicContact CG-CZ3 3.42Å; P1101-W1325 VanDerWaalsContact CG-CZ3 3.42Å |
| 1102 | P | 89 | Confident | 76.8 | Confident | 8.4 Ų | 8.4 | 47.6 Ų | 47.6 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 127.2 | -178.9 | -22.3 | 31.1 | 0 | 0 | 0 | 112.6 | S1074 L1076 Q1104 V1147 Q1148 L1184 | S1074-P1102 WeakPolarHBondContact O-CB 3.32Å; L1076-P1102 HydrophobicContact CD2-CB 4.31Å; L1076-P1102 HydrophobicContact CD2-CG 3.83Å; L1076-P1102 HydrophobicContact CG-CG 4.49Å; P1102-Q1104 PolarHBondContact O-N 3.15Å; P1102-V1147 CarbonylContact O-C 3.56Å; P1102-V1147 WeakPolarHBondContact O-CA 3.4Å; P1102-Q1148 HydrophobicContact CB-CB 4.16Å; P1102-Q1148 HydrophobicContact CG-CB 4.42Å; P1102-Q1148 PolarHBondContact O-N 2.89Å; P1102-L1184 WeakPolarHBondContact CD-O 3.32Å |
| 1103 | V | 89.2 | Confident | 77 | Confident | 0.8 Ų | 0.8 | 49.1 Ų | 49.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 104.5 | 177 | 173.1 | 0 | 0 | 0 | 0 | 108.7 | R1071 G1075 V1077 L1100 P1101 C1105 A1106 V1145 V1146 V1147 | R1071-V1103 PolarHBondContact NH1-O 3.03Å; G1075-V1103 WeakPolarHBondContact CA-O 3.33Å; G1075-V1103 PolarHBondContact O-N 3.1Å; V1077-V1103 HydrophobicContact CG2-CB 4.23Å; V1077-V1103 HydrophobicContact CG2-CG2 3.6Å; L1100-V1103 HydrophobicContact CD2-CG2 3.64Å; P1101-V1103 PolarHBondContact O-N 3.14Å; V1103-C1105 WeakPolarHBondContact CG1-O 3.34Å; V1103-A1106 HydrophobicContact CG1-CB 3.87Å; V1103-V1145 HydrophobicContact CB-CG1 4.43Å; V1103-V1145 HydrophobicContact CG1-CG1 3.74Å; V1103-V1145 HydrophobicContact CG2-CG1 3.9Å; V1103-V1146 CarbonylContact C-O 3.53Å; V1103-V1146 VanDerWaalsContact CA-O 3.32Å; V1103-V1146 WeakPolarHBondContact CA-O 3.43Å; V1103-V1147 HydrophobicContact CB-CG1 4.14Å; V1103-V1147 HydrophobicContact CG1-CG1 4.47Å; V1103-V1147 HydrophobicContact CG2-CG1 3.93Å; V1103-V1147 HydrophobicContact CG2-CG2 4.21Å |
| 1104 | Q | 89.2 | Confident | 77.2 | Confident | 101.4 Ų | 101.4 | 51.1 Ų | 51.1 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -51.1 | -179.1 | -64.3 | 178.7 | -30 | 0 | 0 | 111.1 | S2 R1071 P1102 V1146 V1147 Q1148 | S2-Q1104 PolarHBondContact OG-NE2 3.28Å; S2-Q1104 PolarHBondContact OG-OE1 3.23Å; R1071-Q1104 VanDerWaalsContact NH1-C 3.31Å; R1071-Q1104 PolarHBondContact NH1-O 2.91Å; P1102-Q1104 PolarHBondContact O-N 3.15Å; Q1104-V1146 PolarHBondContact N-O 3.08Å; Q1104-V1147 PolarHBondContact OE1-O 2.9Å; Q1104-Q1148 HydrophobicContact CG-CB 4.01Å; Q1104-Q1148 HydrophobicContact CG-CG 4.39Å |
| 1105 | C | 89.5 | Confident | 76.9 | Confident | 53.4 Ų | 53.4 | 52 Ų | 52 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.1 | 171 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | V1103 V1146 | V1103-C1105 WeakPolarHBondContact CG1-O 3.34Å; C1105-V1146 PolarHBondContact N-O 3Å; C1105-V1146 VanDerWaalsContact N-O 3.15Å; C1105-V1146 WeakPolarHBondContact O-CB 3.39Å; C1105-V1146 PolarHBondContact O-N 2.96Å; C1105-V1146 VanDerWaalsContact O-O 3.14Å; C1105-V1146 VanDerWaalsContact SG-CG2 3.55Å |
| 1106 | A | 89.7 | Confident | 76.1 | Confident | 13.8 Ų | 13.8 | 55.2 Ų | 55.2 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | T1061 L1069 V1103 F1108 L1144 V1145 | T1061-A1106 VanDerWaalsContact CG2-O 3.27Å; T1061-A1106 WeakPolarHBondContact CG2-O 3.36Å; T1061-A1106 PolarHBondContact OG1-O 3.01Å; L1069-A1106 HydrophobicContact CD2-CB 3.7Å; V1103-A1106 HydrophobicContact CG1-CB 3.87Å; A1106-F1108 HydrophobicContact CB-CE2 4.02Å; A1106-F1108 HydrophobicContact CB-CZ 3.98Å; A1106-L1144 CarbonylContact C-O 3.53Å; A1106-L1144 VanDerWaalsContact CA-O 3.27Å; A1106-L1144 WeakPolarHBondContact CA-O 3.37Å; A1106-V1145 HydrophobicContact CB-CG2 4.31Å |
| 1107 | S | 89.5 | Confident | 75 | Confident | 66.4 Ų | 66.4 | 54.1 Ų | 54.1 | 46% | 0.464 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.8 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | I60 G1143 L1144 | I60-S1107 WeakPolarHBondContact CD1-O 3.38Å; I60-S1107 PolarHBondContact N-OG 3.24Å; S1107-G1143 WeakPolarHBondContact O-CA 3.21Å; S1107-L1144 PolarHBondContact N-O 3.09Å; S1107-L1144 PolarHBondContact O-N 3.15Å |
| 1108 | F | 87.4 | Confident | 73.3 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.6 | -176.3 | -58.1 | -59.9 | 0 | 0 | 0 | 109.9 | F7 L25 T1061 P1063 L1069 A1106 L1141 F1142 G1143 V1145 M1277 F1281 | F7-F1108 HydrophobicContact CE1-CE1 4.08Å; F7-F1108 HydrophobicContact CZ-CD1 4.18Å; F7-F1108 AromaticContact CZ-CE1 3.81Å; F7-F1108 HydrophobicContact CZ-CE1 3.81Å; L25-F1108 HydrophobicContact CD1-CE1 3.84Å; L25-F1108 HydrophobicContact CD1-CZ 3.81Å; L25-F1108 HydrophobicContact CD2-CE2 4.35Å; L25-F1108 HydrophobicContact CD2-CZ 4.18Å; T1061-F1108 HydrophobicContact CG2-CD2 3.53Å; T1061-F1108 VanDerWaalsContact CG2-CD2 3.46Å; T1061-F1108 HydrophobicContact CG2-CE2 3.87Å; T1061-F1108 HydrophobicContact CG2-CG 4.45Å; P1063-F1108 HydrophobicContact CB-CB 3.76Å; P1063-F1108 WeakPolarHBondContact CB-O 3.38Å; P1063-F1108 HydrophobicContact CG-CB 3.98Å; L1069-F1108 HydrophobicContact CB-CE2 3.83Å; L1069-F1108 HydrophobicContact CB-CZ 4.31Å; L1069-F1108 HydrophobicContact CD2-CE2 3.9Å; L1069-F1108 HydrophobicContact CD2-CZ 3.93Å; L1069-F1108 HydrophobicContact CG-CE2 4.47Å; A1106-F1108 HydrophobicContact CB-CE2 4.02Å; A1106-F1108 HydrophobicContact CB-CZ 3.98Å; F1108-L1141 HydrophobicContact CB-CD1 4.26Å; F1108-L1141 HydrophobicContact CD1-CD2 4.4Å; F1108-F1142 CarbonylContact C-O 3.37Å; F1108-F1142 WeakPolarHBondContact CA-O 3.35Å; F1108-G1143 VanDerWaalsContact CD1-CA 3.46Å; F1108-V1145 HydrophobicContact CE1-CG2 3.93Å; F1108-V1145 HydrophobicContact CZ-CG2 3.89Å; F1108-M1277 HydrophobicContact CB-CE 4.4Å; F1108-M1277 HydrophobicContact CD1-CE 3.42Å; F1108-M1277 VanDerWaalsContact CD1-CE 3.44Å; F1108-M1277 HydrophobicContact CD2-CE 3.8Å; F1108-M1277 HydrophobicContact CD2-CG 4.2Å; F1108-M1277 HydrophobicContact CE1-CE 3.33Å; F1108-M1277 VanDerWaalsContact CE1-CE 3.49Å; F1108-M1277 HydrophobicContact CE2-CE 3.69Å; F1108-M1277 VanDerWaalsContact CE2-CE 3.44Å; F1108-M1277 HydrophobicContact CE2-CG 4.08Å; F1108-M1277 HydrophobicContact CG-CE 3.7Å; F1108-M1277 HydrophobicContact CZ-CE 3.47Å; F1108-M1277 VanDerWaalsContact CZ-CE 3.5Å; F1108-F1281 HydrophobicContact CE1-CD1 4.31Å; F1108-F1281 HydrophobicContact CE1-CE1 4.38Å; F1108-F1281 AromaticContact CE1-CZ 3.68Å; F1108-F1281 HydrophobicContact CE1-CZ 3.68Å; F1108-F1281 HydrophobicContact CZ-CE2 4.38Å; F1108-F1281 AromaticContact CZ-CZ 3.7Å; F1108-F1281 HydrophobicContact CZ-CZ 3.7Å |
| 1109 | A | 85.7 | Confident | 71.4 | Confident | 40.4 Ų | 40.4 | 59.8 Ų | 59.8 | 33% | 0.334 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 138.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | I60 I1111 F1142 | I60-A1109 HydrophobicContact CB-CB 3.91Å; I60-A1109 HydrophobicContact CD1-CB 4.45Å; I60-A1109 HydrophobicContact CG2-CB 3.53Å; A1109-I1111 PolarHBondContact O-N 3.06Å; A1109-F1142 PolarHBondContact N-O 3.06Å; A1109-F1142 PolarHBondContact O-N 3.2Å |
| 1110 | W | 81.5 | Confident | 69.1 | Low | 59.4 Ų | 59.4 | 65.9 Ų | 65.9 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.9 | 171.3 | -75.2 | 108.1 | 0 | 0 | 0 | 110.3 | H11 L21 E1065 H1066 R1139 L1141 | H11-W1110 HydrophobicContact CB-CH2 4.36Å; H11-W1110 HydrophobicContact CB-CZ3 4.22Å; H11-W1110 AromaticContact CD2-CH2 3.5Å; H11-W1110 AromaticContact CD2-CZ3 3.61Å; H11-W1110 AromaticContact CG-CH2 3.89Å; L21-W1110 HydrophobicContact CD1-CZ2 4.28Å; L21-W1110 HydrophobicContact CD2-CH2 3.79Å; L21-W1110 HydrophobicContact CD2-CZ2 4.08Å; E1065-W1110 VanDerWaalsContact CG-CD1 3.49Å; E1065-W1110 HydrophobicContact CG-CG 4.44Å; E1065-W1110 VanDerWaalsContact CG-NE1 3.26Å; E1065-W1110 VanDerWaalsContact OE1-CD1 3.29Å; E1065-W1110 PolarHBondContact OE1-NE1 3.33Å; H1066-W1110 WeakPolarHBondContact O-CZ2 3.38Å; H1066-W1110 PolarHBondContact O-NE1 3.29Å; W1110-R1139 VanDerWaalsContact CB-NH2 3.27Å; W1110-R1139 VanDerWaalsContact CD1-NH2 3.33Å; W1110-R1139 HydrophobicContact CD2-CB 4.5Å; W1110-R1139 HydrophobicContact CE3-CB 3.74Å; W1110-R1139 HydrophobicContact CZ3-CB 4Å; W1110-R1139 WeakPolarHBondContact CZ3-O 3.39Å; W1110-L1141 HydrophobicContact CD2-CB 4.39Å; W1110-L1141 HydrophobicContact CD2-CD1 3.95Å; W1110-L1141 HydrophobicContact CD2-CG 4.47Å; W1110-L1141 HydrophobicContact CE3-CB 3.98Å; W1110-L1141 HydrophobicContact CE3-CD1 4.34Å; W1110-L1141 HydrophobicContact CG-CD1 4.2Å; W1110-L1141 HydrophobicContact CH2-CB 3.99Å; W1110-L1141 HydrophobicContact CH2-CD2 4.18Å; W1110-L1141 HydrophobicContact CZ2-CB 4.37Å; W1110-L1141 HydrophobicContact CZ2-CD1 4.18Å; W1110-L1141 HydrophobicContact CZ2-CD2 3.87Å; W1110-L1141 HydrophobicContact CZ3-CB 3.78Å |
| 1111 | I | 79.2 | Confident | 66.9 | Low | 65.8 Ų | 65.8 | 71 Ų | 71 | 34% | 0.337 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.8 | -179.2 | -58.5 | -177 | 0 | 0 | 0 | 109.1 | Y79 I81 A1109 N1113 R1139 C1140 F1142 | Y79-I1111 HydrophobicContact CE2-CD1 4.12Å; Y79-I1111 WeakPolarHBondContact OH-CD1 3.03Å; I81-I1111 HydrophobicContact CD1-CD1 3.62Å; A1109-I1111 PolarHBondContact O-N 3.06Å; I1111-N1113 PolarHBondContact O-N 3.44Å; I1111-R1139 WeakPolarHBondContact O-CA 3.45Å; I1111-C1140 PolarHBondContact N-O 3.23Å; I1111-C1140 PolarHBondContact O-N 3.2Å; I1111-C1140 PolarHBondContact O-SG 3.01Å; I1111-F1142 HydrophobicContact CD1-CB 3.51Å; I1111-F1142 VanDerWaalsContact CD1-CB 3.48Å; I1111-F1142 HydrophobicContact CD1-CD1 4.23Å; I1111-F1142 HydrophobicContact CD1-CD2 4.43Å; I1111-F1142 HydrophobicContact CD1-CG 3.94Å; I1111-F1142 HydrophobicContact CG1-CB 3.97Å |
| 1112 | R | 68.7 | Low | 64.3 | Low | 76.8 Ų | 76.8 | 74 Ų | 74 | 29% | 0.29 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.4 | 166.9 | -78.8 | -170.4 | -174.9 | -162.3 | 6.1 | 109.2 | V634 V637 N1114 | V634-R1112 PolarHBondContact O-NE 3.08Å; V634-R1112 VanDerWaalsContact O-NE 3.16Å; V634-R1112 PolarHBondContact O-NH2 3.1Å; V637-R1112 HydrophobicContact CG2-CB 4.14Å; V637-R1112 HydrophobicContact CG2-CG 4.01Å; R1112-N1114 VanDerWaalsContact C-N 3.28Å; R1112-N1114 PolarHBondContact O-N 3.08Å; R1112-N1114 PolarHBondContact O-OD1 3.06Å |
| 1113 | N | 59.6 | Low | 61.4 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 33% | 0.326 | 50% | 0.5 | S | S | . | . | trans | -78.7 | 78.3 | 179.9 | -137 | 52.9 | 0 | 0 | 0 | 111.1 | I81 S83 I1111 L1115 P1138 C1140 | I81-N1113 PolarHBondContact O-ND2 2.86Å; S83-N1113 WeakPolarHBondContact CB-ND2 3.41Å; S83-N1113 PolarHBondContact OG-ND2 3.23Å; I1111-N1113 PolarHBondContact O-N 3.44Å; N1113-L1115 HydrophobicContact CB-CD1 4.47Å; N1113-L1115 PolarHBondContact O-N 2.93Å; N1113-L1115 VanDerWaalsContact O-N 3.13Å; N1113-P1138 WeakPolarHBondContact CB-O 3.49Å; N1113-C1140 VanDerWaalsContact CG-SG 3.55Å; N1113-C1140 PolarHBondContact OD1-SG 3.17Å | ||
| 1114 | N | 53.2 | Low | 58.8 | Low | 118.8 Ų | 118.8 | 85.8 Ų | 85.8 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | trans | -69.7 | 26.3 | 179.5 | -72.4 | 5.3 | 0 | 0 | 0 | 114 | R1112 P1116 | R1112-N1114 VanDerWaalsContact C-N 3.28Å; R1112-N1114 PolarHBondContact O-N 3.08Å; R1112-N1114 PolarHBondContact O-OD1 3.06Å; N1114-P1116 VanDerWaalsContact O-CD 3.31Å; N1114-P1116 WeakPolarHBondContact O-CD 3.44Å | ||
| 1115 | L | 46.2 | Very low | 56 | Low | 118 Ų | 118 | 89.5 Ų | 89.5 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | trans | -69.1 | 123 | 169.3 | -86 | 76.2 | 0 | 0 | 0 | 108.5 | N1113 A1117 | N1113-L1115 HydrophobicContact CB-CD1 4.47Å; N1113-L1115 PolarHBondContact O-N 2.93Å; N1113-L1115 VanDerWaalsContact O-N 3.13Å; L1115-A1117 PolarHBondContact O-N 3.16Å | ||
| 1116 | P | 39.9 | Very low | 53.4 | Low | 110.6 Ų | 110.6 | 90.4 Ų | 90.4 | 72% | 0.718 | 58% | 0.582 | S | S | * | * | trans | -60.9 | 142.3 | 163.8 | 28.4 | -33.4 | 0 | 0 | 0 | 108.3 | N1114 S1118 | N1114-P1116 VanDerWaalsContact O-CD 3.31Å; N1114-P1116 WeakPolarHBondContact O-CD 3.44Å; P1116-S1118 VanDerWaalsContact C-N 3.3Å; P1116-S1118 PolarHBondContact O-N 2.93Å | ||
| 1117 | A | 40 | Very low | 50.7 | Low | 105.6 Ų | 105.6 | 101.6 Ų | 101.6 | 87% | 0.873 | 62% | 0.621 | S | S | * | * | trans | -66.5 | 87.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | L1115 G1119 | L1115-A1117 PolarHBondContact O-N 3.16Å; A1117-G1119 VanDerWaalsContact C-N 3.35Å; A1117-G1119 PolarHBondContact O-N 3.23Å | ||
| 1118 | S | 36.1 | Very low | 48 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | trans | -70.8 | 78.1 | -179.1 | -160.5 | 0 | 0 | 0 | 0 | 110.3 | P1116 I1120 | P1116-S1118 VanDerWaalsContact C-N 3.3Å; P1116-S1118 PolarHBondContact O-N 2.93Å; S1118-I1120 PolarHBondContact O-N 2.89Å; S1118-I1120 VanDerWaalsContact O-N 3.07Å | ||
| 1119 | G | 33.3 | Very low | 45.3 | Very low | 65 Ų | 65 | 112.3 Ų | 112.3 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | trans | -65.7 | 120.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1117 S1121 | A1117-G1119 VanDerWaalsContact C-N 3.35Å; A1117-G1119 PolarHBondContact O-N 3.23Å; G1119-S1121 VanDerWaalsContact C-N 3.27Å; G1119-S1121 PolarHBondContact O-N 3.22Å; G1119-S1121 VanDerWaalsContact O-N 3.09Å | ||
| 1120 | I | 34.3 | Very low | 42.9 | Very low | 173.4 Ų | 173.4 | 115.6 Ų | 115.6 | 89% | 0.889 | 70% | 0.698 | S | S | * | * | trans | -67.7 | 99 | 160.9 | -59.3 | 175.9 | 0 | 0 | 0 | 106.9 | S1118 G1122 | S1118-I1120 PolarHBondContact O-N 2.89Å; S1118-I1120 VanDerWaalsContact O-N 3.07Å; I1120-G1122 VanDerWaalsContact C-N 3.26Å; I1120-G1122 PolarHBondContact O-N 3.22Å | ||
| 1121 | S | 35.3 | Very low | 40.4 | Very low | 113.2 Ų | 113.2 | 122.6 Ų | 122.6 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | trans | -87.4 | 79.6 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | G1119 C1123 | G1119-S1121 VanDerWaalsContact C-N 3.27Å; G1119-S1121 PolarHBondContact O-N 3.22Å; G1119-S1121 VanDerWaalsContact O-N 3.09Å; S1121-C1123 VanDerWaalsContact C-N 3.26Å; S1121-C1123 PolarHBondContact O-N 3.31Å; S1121-C1123 VanDerWaalsContact O-N 3.15Å | ||
| 1122 | G | 33.7 | Very low | 38.2 | Very low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | -74.4 | 103.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1120 T1124 | I1120-G1122 VanDerWaalsContact C-N 3.26Å; I1120-G1122 PolarHBondContact O-N 3.22Å; G1122-T1124 PolarHBondContact O-N 3.04Å | ||
| 1123 | C | 27.9 | Very low | 36.6 | Very low | 119.6 Ų | 119.6 | 129.9 Ų | 129.9 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -56 | 107.7 | 179.3 | 37.4 | 0 | 0 | 0 | 0 | 114.3 | S1121 | S1121-C1123 VanDerWaalsContact C-N 3.26Å; S1121-C1123 PolarHBondContact O-N 3.31Å; S1121-C1123 VanDerWaalsContact O-N 3.15Å | ||
| 1124 | T | 34.4 | Very low | 35.6 | Very low | 137.8 Ų | 137.8 | 131.6 Ų | 131.6 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -145.8 | 136 | 150.8 | 34.3 | 0 | 0 | 0 | 0 | 110.5 | G1122 G1126 | G1122-T1124 PolarHBondContact O-N 3.04Å; T1124-G1126 PolarHBondContact O-N 3.16Å; T1124-G1126 VanDerWaalsContact O-N 3.09Å | ||
| 1125 | N | 31 | Very low | 35.2 | Very low | 178.2 Ų | 178.2 | 134.5 Ų | 134.5 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | -85.4 | 105 | -176.9 | -76.4 | -44.7 | 0 | 0 | 0 | 111.2 | ||||
| 1126 | G | 34.5 | Very low | 35.4 | Very low | 72.6 Ų | 72.6 | 136.6 Ų | 136.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -133.4 | 89.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1124 Q1128 | T1124-G1126 PolarHBondContact O-N 3.16Å; T1124-G1126 VanDerWaalsContact O-N 3.09Å; G1126-Q1128 PolarHBondContact O-N 3.06Å | ||
| 1127 | R | 32.8 | Very low | 36.1 | Very low | 248.6 Ų | 248.6 | 136.7 Ų | 136.7 | 94% | 0.938 | 80% | 0.802 | S | S | * | * | trans | -63.4 | 117.4 | 174.1 | -73.5 | -178 | 174.1 | 175.5 | -2.1 | 113.9 | ||||
| 1128 | Q | 34.4 | Very low | 37 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -140.2 | 125.9 | 151.9 | -64.1 | -166.7 | 17.2 | 0 | 0 | 113.6 | G1126 | G1126-Q1128 PolarHBondContact O-N 3.06Š| ||
| 1129 | S | 29.7 | Very low | 38.6 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -96.8 | 107.1 | 168.8 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1130 | S | 35 | Very low | 40.8 | Very low | 109.2 Ų | 109.2 | 133.2 Ų | 133.2 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -111.6 | 140 | 159.5 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | S1132 | S1130-S1132 PolarHBondContact O-N 3.37Š| ||
| 1131 | K | 30.2 | Very low | 43 | Very low | 206.6 Ų | 206.6 | 126.3 Ų | 126.3 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | trans | -90.8 | 102.6 | 178.4 | -68 | 177.9 | 177.5 | 179.9 | 0 | 109.7 | Q1133 | K1131-Q1133 PolarHBondContact O-N 3.41Š| ||
| 1132 | S | 32 | Very low | 45.3 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -111 | 126.5 | 161.1 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | S1130 | S1130-S1132 PolarHBondContact O-N 3.37Š| ||
| 1133 | Q | 35.4 | Very low | 47.8 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | trans | -66.2 | 142.6 | 163.2 | -72.4 | 173.5 | -17.9 | 0 | 0 | 110.6 | K1131 E1135 | K1131-Q1133 PolarHBondContact O-N 3.41Å; Q1133-E1135 VanDerWaalsContact C-N 3.29Å; Q1133-E1135 PolarHBondContact O-N 2.93Å | ||
| 1134 | S | 38.6 | Very low | 50.7 | Low | 97.6 Ų | 97.6 | 121.6 Ų | 121.6 | 68% | 0.683 | 65% | 0.654 | S | S | * | * | trans | -71.2 | 96.1 | 173.8 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | D852 Q1136 | D852-S1134 WeakPolarHBondContact OD2-CB 3.49Å; S1134-Q1136 VanDerWaalsContact C-N 3.32Å; S1134-Q1136 PolarHBondContact O-N 3.22Å | ||
| 1135 | E | 44.4 | Very low | 53.2 | Low | 179.4 Ų | 179.4 | 116.8 Ų | 116.8 | 84% | 0.838 | 63% | 0.625 | S | S | * | * | trans | -64.1 | 98.7 | 171.2 | -134 | 172.3 | -173.6 | 0 | 0 | 108.7 | K13 Q1133 Q1137 | K13-E1135 IonicContact NZ-OE1 2.75Å; K13-E1135 PolarHBondContact NZ-OE1 3.3Å; Q1133-E1135 VanDerWaalsContact C-N 3.29Å; Q1133-E1135 PolarHBondContact O-N 2.93Å; E1135-Q1137 PolarHBondContact O-N 3.05Å; E1135-Q1137 VanDerWaalsContact O-N 3.13Å | ||
| 1136 | Q | 50.8 | Low | 55.9 | Low | 162.8 Ų | 162.8 | 110.6 Ų | 110.6 | 76% | 0.761 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.3 | 176.1 | -68.5 | -173.7 | -8.1 | 0 | 0 | 108.5 | S1134 | S1134-Q1136 VanDerWaalsContact C-N 3.32Å; S1134-Q1136 PolarHBondContact O-N 3.22Å |
| 1137 | Q | 54.4 | Low | 58.5 | Low | 111.4 Ų | 111.4 | 108.3 Ų | 108.3 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 133.3 | 178.7 | -71.5 | 179.9 | -25.7 | 0 | 0 | 110 | E1135 R1139 | E1135-Q1137 PolarHBondContact O-N 3.05Å; E1135-Q1137 VanDerWaalsContact O-N 3.13Å; Q1137-R1139 PolarHBondContact O-N 3.15Å; Q1137-R1139 VanDerWaalsContact O-N 3.1Å |
| 1138 | P | 59.5 | Low | 61.1 | Low | 89.4 Ų | 89.4 | 99.9 Ų | 99.9 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 124.6 | -176.5 | 22.7 | -32.8 | 0 | 0 | 0 | 110.7 | D10 N1113 C1140 | D10-P1138 WeakPolarHBondContact OD1-CB 3.23Å; N1113-P1138 WeakPolarHBondContact CB-O 3.49Å; P1138-C1140 PolarHBondContact O-N 2.63Å |
| 1139 | R | 70.1 | Confident | 63.6 | Low | 82.8 Ų | 82.8 | 95.2 Ų | 95.2 | 31% | 0.312 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.2 | 168.1 | -61.2 | -178.6 | 147.9 | -175.2 | 2.6 | 107.8 | H11 E1065 W1110 I1111 Q1137 | H11-R1139 PolarHBondContact N-O 2.87Å; H11-R1139 PolarHBondContact O-N 2.92Å; E1065-R1139 VanDerWaalsContact CD-NH1 3.31Å; E1065-R1139 IonicContact OE1-CZ 3.04Å; E1065-R1139 IonicContact OE1-NH1 2.95Å; E1065-R1139 PolarHBondContact OE1-NH1 3.03Å; E1065-R1139 IonicContact OE1-NH2 3.54Å; E1065-R1139 PolarHBondContact OE1-NH2 3.26Å; E1065-R1139 IonicContact OE2-CZ 2.87Å; E1065-R1139 IonicContact OE2-NH1 3.19Å; E1065-R1139 PolarHBondContact OE2-NH1 3.11Å; E1065-R1139 IonicContact OE2-NH2 3.09Å; E1065-R1139 PolarHBondContact OE2-NH2 2.9Å; W1110-R1139 VanDerWaalsContact CB-NH2 3.27Å; W1110-R1139 VanDerWaalsContact CD1-NH2 3.33Å; W1110-R1139 HydrophobicContact CD2-CB 4.5Å; W1110-R1139 HydrophobicContact CE3-CB 3.74Å; W1110-R1139 HydrophobicContact CZ3-CB 4Å; W1110-R1139 WeakPolarHBondContact CZ3-O 3.39Å; I1111-R1139 WeakPolarHBondContact O-CA 3.45Å; Q1137-R1139 PolarHBondContact O-N 3.15Å; Q1137-R1139 VanDerWaalsContact O-N 3.1Å |
| 1140 | C | 77.8 | Confident | 66.4 | Low | 41.2 Ų | 41.2 | 90 Ų | 90 | 28% | 0.278 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.5 | 172.1 | -17.8 | 0 | 0 | 0 | 0 | 109.6 | Q9 I1111 N1113 P1138 F1142 | Q9-C1140 CarbonylContact O-C 3.59Å; Q9-C1140 VanDerWaalsContact O-CA 3.27Å; Q9-C1140 WeakPolarHBondContact O-CA 3.24Å; Q9-C1140 PolarHBondContact O-SG 3.01Å; I1111-C1140 PolarHBondContact N-O 3.23Å; I1111-C1140 PolarHBondContact O-N 3.2Å; I1111-C1140 PolarHBondContact O-SG 3.01Å; N1113-C1140 VanDerWaalsContact CG-SG 3.55Å; N1113-C1140 PolarHBondContact OD1-SG 3.17Å; P1138-C1140 PolarHBondContact O-N 2.63Å; C1140-F1142 PolarHBondContact O-N 3.23Å |
| 1141 | L | 80.9 | Confident | 69.1 | Low | 28.8 Ų | 28.8 | 87.9 Ų | 87.9 | 15% | 0.151 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.7 | 168.7 | -176.1 | 63 | 0 | 0 | 0 | 108.3 | F7 A8 Q9 P1063 P1067 F1108 W1110 M1277 L1280 F1281 | F7-L1141 HydrophobicContact CE2-CD2 4.49Å; A8-L1141 WeakPolarHBondContact CA-O 3.06Å; Q9-L1141 PolarHBondContact N-O 3.34Å; Q9-L1141 PolarHBondContact O-N 3.24Å; P1063-L1141 HydrophobicContact CB-CD1 4.07Å; P1063-L1141 HydrophobicContact CG-CD1 4.02Å; P1067-L1141 HydrophobicContact CG-CD2 3.75Å; P1067-L1141 VanDerWaalsContact CG-CD2 3.46Å; F1108-L1141 HydrophobicContact CB-CD1 4.26Å; F1108-L1141 HydrophobicContact CD1-CD2 4.4Å; W1110-L1141 HydrophobicContact CD2-CB 4.39Å; W1110-L1141 HydrophobicContact CD2-CD1 3.95Å; W1110-L1141 HydrophobicContact CD2-CG 4.47Å; W1110-L1141 HydrophobicContact CE3-CB 3.98Å; W1110-L1141 HydrophobicContact CE3-CD1 4.34Å; W1110-L1141 HydrophobicContact CG-CD1 4.2Å; W1110-L1141 HydrophobicContact CH2-CB 3.99Å; W1110-L1141 HydrophobicContact CH2-CD2 4.18Å; W1110-L1141 HydrophobicContact CZ2-CB 4.37Å; W1110-L1141 HydrophobicContact CZ2-CD1 4.18Å; W1110-L1141 HydrophobicContact CZ2-CD2 3.87Å; W1110-L1141 HydrophobicContact CZ3-CB 3.78Å; L1141-M1277 HydrophobicContact CD2-CE 3.79Å; L1141-M1277 HydrophobicContact CD2-SD 3.91Å; L1141-M1277 WeakPolarHBondContact CD2-SD 3.32Å; L1141-M1277 HydrophobicContact CG-CE 4.18Å; L1141-M1277 HydrophobicContact CG-SD 4.4Å; L1141-L1280 HydrophobicContact CD2-CD1 3.91Å; L1141-F1281 HydrophobicContact CB-CE1 3.83Å; L1141-F1281 HydrophobicContact CB-CZ 4.32Å |
| 1142 | F | 84.8 | Confident | 72 | Confident | 90.6 Ų | 90.6 | 78.2 Ų | 78.2 | 40% | 0.397 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.5 | 171.4 | -177.7 | -105.6 | 0 | 0 | 0 | 109.6 | L6 F7 I60 I65 Y79 I81 V353 F1108 A1109 I1111 C1140 | L6-F1142 HydrophobicContact CB-CE2 4.37Å; L6-F1142 HydrophobicContact CD2-CE2 4.03Å; L6-F1142 HydrophobicContact CD2-CZ 3.92Å; F7-F1142 VanDerWaalsContact O-CD2 3.31Å; F7-F1142 WeakPolarHBondContact O-CD2 3.23Å; I60-F1142 HydrophobicContact CD1-CD1 4.02Å; I60-F1142 HydrophobicContact CD1-CE1 4.34Å; I60-F1142 HydrophobicContact CD1-CG 4.46Å; I60-F1142 HydrophobicContact CG1-CD1 4.47Å; I60-F1142 HydrophobicContact CG1-CE1 4.46Å; I60-F1142 HydrophobicContact CG2-CD1 3.63Å; I60-F1142 HydrophobicContact CG2-CE1 3.97Å; I65-F1142 HydrophobicContact CG2-CE1 3.61Å; I65-F1142 HydrophobicContact CG2-CZ 3.96Å; Y79-F1142 HydrophobicContact CD1-CE1 4.01Å; Y79-F1142 HydrophobicContact CD2-CE1 4.08Å; Y79-F1142 HydrophobicContact CD2-CZ 4.44Å; Y79-F1142 HydrophobicContact CE1-CD1 4.29Å; Y79-F1142 AromaticContact CE1-CE1 3.68Å; Y79-F1142 HydrophobicContact CE1-CE1 3.68Å; Y79-F1142 HydrophobicContact CE2-CD1 4.01Å; Y79-F1142 AromaticContact CE2-CE1 3.81Å; Y79-F1142 HydrophobicContact CE2-CE1 3.81Å; Y79-F1142 HydrophobicContact CG-CE1 4.22Å; Y79-F1142 HydrophobicContact CG-CZ 4.5Å; Y79-F1142 AromaticContact CZ-CD1 3.82Å; Y79-F1142 AromaticContact CZ-CE1 3.61Å; I81-F1142 HydrophobicContact CD1-CB 3.98Å; I81-F1142 HydrophobicContact CD1-CD1 4.25Å; I81-F1142 HydrophobicContact CD1-CD2 4.29Å; I81-F1142 HydrophobicContact CD1-CG 3.94Å; V353-F1142 HydrophobicContact CB-CE2 4.4Å; V353-F1142 HydrophobicContact CG1-CE2 3.83Å; V353-F1142 HydrophobicContact CG1-CZ 3.94Å; V353-F1142 HydrophobicContact CG2-CD2 4.04Å; V353-F1142 HydrophobicContact CG2-CE2 3.72Å; F1108-F1142 CarbonylContact C-O 3.37Å; F1108-F1142 WeakPolarHBondContact CA-O 3.35Å; A1109-F1142 PolarHBondContact N-O 3.06Å; A1109-F1142 PolarHBondContact O-N 3.2Å; I1111-F1142 HydrophobicContact CD1-CB 3.51Å; I1111-F1142 VanDerWaalsContact CD1-CB 3.48Å; I1111-F1142 HydrophobicContact CD1-CD1 4.23Å; I1111-F1142 HydrophobicContact CD1-CD2 4.43Å; I1111-F1142 HydrophobicContact CD1-CG 3.94Å; I1111-F1142 HydrophobicContact CG1-CB 3.97Å; C1140-F1142 PolarHBondContact O-N 3.23Å |
| 1143 | G | 85.5 | Confident | 74.8 | Confident | 24.6 Ų | 24.6 | 73.1 Ų | 73.1 | 25% | 0.254 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L6 F7 S1107 F1108 F1281 | L6-G1143 CarbonylContact C-O 3.59Å; L6-G1143 WeakPolarHBondContact CA-O 3.38Å; F7-G1143 PolarHBondContact N-O 3.45Å; F7-G1143 PolarHBondContact O-N 2.7Å; S1107-G1143 WeakPolarHBondContact O-CA 3.21Å; F1108-G1143 VanDerWaalsContact CD1-CA 3.46Å; G1143-F1281 WeakPolarHBondContact O-CZ 3.39Å |
| 1144 | L | 87.8 | Confident | 77.2 | Confident | 83.4 Ų | 83.4 | 64.5 Ų | 64.5 | 44% | 0.437 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.4 | 169 | 177 | 62.2 | 0 | 0 | 0 | 108 | I4 F5 L6 C58 I60 I65 F67 A1106 S1107 V1146 | I4-L1144 HydrophobicContact CG2-CD1 3.48Å; I4-L1144 VanDerWaalsContact CG2-CD1 3.48Å; F5-L1144 WeakPolarHBondContact O-CA 3.5Å; L6-L1144 HydrophobicContact CD2-CB 4.02Å; L6-L1144 HydrophobicContact CD2-CD1 3.65Å; L6-L1144 HydrophobicContact CD2-CG 4.31Å; C58-L1144 HydrophobicContact CB-CD2 3.65Å; C58-L1144 HydrophobicContact CB-CG 4.16Å; I60-L1144 HydrophobicContact CD1-CB 3.88Å; I60-L1144 HydrophobicContact CG1-CB 4.15Å; I60-L1144 HydrophobicContact CG1-CD2 4.39Å; I65-L1144 HydrophobicContact CB-CD2 4.16Å; I65-L1144 HydrophobicContact CG2-CD2 4.34Å; F67-L1144 HydrophobicContact CE1-CD1 3.94Å; F67-L1144 HydrophobicContact CE1-CD2 3.83Å; F67-L1144 HydrophobicContact CE1-CG 4.43Å; F67-L1144 HydrophobicContact CZ-CD1 4.2Å; F67-L1144 HydrophobicContact CZ-CD2 4.07Å; A1106-L1144 CarbonylContact C-O 3.53Å; A1106-L1144 VanDerWaalsContact CA-O 3.27Å; A1106-L1144 WeakPolarHBondContact CA-O 3.37Å; S1107-L1144 PolarHBondContact N-O 3.09Å; S1107-L1144 PolarHBondContact O-N 3.15Å; L1144-V1146 HydrophobicContact CD1-CG2 4.35Å; L1144-V1146 HydrophobicContact CG-CG2 4.37Å |
| 1145 | V | 87.1 | Confident | 79.7 | Confident | 38.6 Ų | 38.6 | 61 Ų | 61 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 118.1 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | F5 F7 L29 I32 V1103 A1106 F1108 V1147 F1281 | F5-V1145 PolarHBondContact N-O 3.27Å; F5-V1145 PolarHBondContact O-N 3Å; F7-V1145 HydrophobicContact CE1-CG2 3.99Å; L29-V1145 HydrophobicContact CD2-CG1 4.41Å; L29-V1145 HydrophobicContact CD2-CG2 4.19Å; I32-V1145 HydrophobicContact CD1-CB 4.46Å; V1103-V1145 HydrophobicContact CB-CG1 4.43Å; V1103-V1145 HydrophobicContact CG1-CG1 3.74Å; V1103-V1145 HydrophobicContact CG2-CG1 3.9Å; A1106-V1145 HydrophobicContact CB-CG2 4.31Å; F1108-V1145 HydrophobicContact CE1-CG2 3.93Å; F1108-V1145 HydrophobicContact CZ-CG2 3.89Å; V1145-V1147 HydrophobicContact CG1-CG1 4.22Å; V1145-V1147 HydrophobicContact CG1-CG2 4.23Å; V1145-F1281 HydrophobicContact CB-CE1 4.43Å; V1145-F1281 HydrophobicContact CG2-CE1 3.55Å; V1145-F1281 HydrophobicContact CG2-CZ 3.97Å |
| 1146 | V | 89.2 | Confident | 82 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.5 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | S3 I4 I55 V1103 Q1104 C1105 L1144 | S3-V1146 CarbonylContact O-C 3.55Å; S3-V1146 WeakPolarHBondContact O-CA 3.4Å; I4-V1146 HydrophobicContact CG1-CG2 4.37Å; I55-V1146 HydrophobicContact CB-CG1 4.2Å; I55-V1146 HydrophobicContact CD1-CG1 4.05Å; I55-V1146 HydrophobicContact CD1-CG2 4.38Å; V1103-V1146 CarbonylContact C-O 3.53Å; V1103-V1146 VanDerWaalsContact CA-O 3.32Å; V1103-V1146 WeakPolarHBondContact CA-O 3.43Å; Q1104-V1146 PolarHBondContact N-O 3.08Å; C1105-V1146 PolarHBondContact N-O 3Å; C1105-V1146 VanDerWaalsContact N-O 3.15Å; C1105-V1146 WeakPolarHBondContact O-CB 3.39Å; C1105-V1146 PolarHBondContact O-N 2.96Å; C1105-V1146 VanDerWaalsContact O-O 3.14Å; C1105-V1146 VanDerWaalsContact SG-CG2 3.55Å; L1144-V1146 HydrophobicContact CD1-CG2 4.35Å; L1144-V1146 HydrophobicContact CG-CG2 4.37Å |
| 1147 | V | 88.4 | Confident | 83.7 | Confident | 25.8 Ų | 25.8 | 45.7 Ų | 45.7 | 16% | 0.156 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148.1 | -177.1 | -90.5 | 0 | 0 | 0 | 0 | 110.3 | S2 S3 F5 P1101 P1102 V1103 Q1104 V1145 D1149 F1324 W1325 | S2-V1147 CarbonylContact C-O 3.58Å; S3-V1147 WeakPolarHBondContact CA-O 3.29Å; S3-V1147 WeakPolarHBondContact CB-O 3.31Å; S3-V1147 PolarHBondContact N-O 3.39Å; S3-V1147 PolarHBondContact O-N 3.36Å; F5-V1147 HydrophobicContact CD2-CB 4.48Å; F5-V1147 HydrophobicContact CD2-CG2 3.86Å; F5-V1147 HydrophobicContact CE2-CB 4.11Å; F5-V1147 HydrophobicContact CE2-CG2 3.79Å; P1101-V1147 HydrophobicContact CB-CB 4.37Å; P1101-V1147 HydrophobicContact CB-CG1 3.58Å; P1101-V1147 HydrophobicContact CG-CB 3.96Å; P1101-V1147 HydrophobicContact CG-CG1 3.9Å; P1101-V1147 HydrophobicContact CG-CG2 4.15Å; P1102-V1147 CarbonylContact O-C 3.56Å; P1102-V1147 WeakPolarHBondContact O-CA 3.4Å; V1103-V1147 HydrophobicContact CB-CG1 4.14Å; V1103-V1147 HydrophobicContact CG1-CG1 4.47Å; V1103-V1147 HydrophobicContact CG2-CG1 3.93Å; V1103-V1147 HydrophobicContact CG2-CG2 4.21Å; Q1104-V1147 PolarHBondContact OE1-O 2.9Å; V1145-V1147 HydrophobicContact CG1-CG1 4.22Å; V1145-V1147 HydrophobicContact CG1-CG2 4.23Å; V1147-D1149 PolarHBondContact O-N 3.1Å; V1147-F1324 HydrophobicContact CG2-CB 4.26Å; V1147-W1325 HydrophobicContact CB-CH2 3.68Å; V1147-W1325 HydrophobicContact CB-CZ3 3.67Å; V1147-W1325 HydrophobicContact CG1-CH2 3.86Å; V1147-W1325 HydrophobicContact CG1-CZ3 4.37Å; V1147-W1325 HydrophobicContact CG2-CH2 3.59Å; V1147-W1325 HydrophobicContact CG2-CZ3 3.44Å; V1147-W1325 VanDerWaalsContact CG2-CZ3 3.44Å |
| 1148 | Q | 88.1 | Confident | 85.2 | Confident | 72.6 Ų | 72.6 | 42.2 Ų | 42.2 | 34% | 0.339 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 132 | 171.8 | -179.5 | 172.7 | -19.5 | 0 | 0 | 110.3 | P1102 Q1104 L1150 | P1102-Q1148 HydrophobicContact CB-CB 4.16Å; P1102-Q1148 HydrophobicContact CG-CB 4.42Å; P1102-Q1148 PolarHBondContact O-N 2.89Å; Q1104-Q1148 HydrophobicContact CG-CB 4.01Å; Q1104-Q1148 HydrophobicContact CG-CG 4.39Å; Q1148-L1150 HydrophobicContact CB-CD2 4.49Å; Q1148-L1150 HydrophobicContact CG-CD2 4.03Å; Q1148-L1150 PolarHBondContact O-N 2.81Å; Q1148-L1150 VanDerWaalsContact O-N 3.14Å |
| 1149 | D | 86.2 | Confident | 86.7 | Confident | 91.8 Ų | 91.8 | 37.9 Ų | 37.9 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -72.6 | 130 | 170.3 | -149.6 | 21.6 | 0 | 0 | 0 | 110.2 | M1 S3 V1147 I1322 N1323 F1324 | M1-D1149 HydrophobicContact CB-CB 3.72Å; S3-D1149 WeakPolarHBondContact CB-OD1 3.38Å; S3-D1149 PolarHBondContact N-OD1 3.47Å; S3-D1149 PolarHBondContact OG-OD1 3.48Å; V1147-D1149 PolarHBondContact O-N 3.1Å; D1149-I1322 PolarHBondContact OD2-N 3.2Å; D1149-N1323 VanDerWaalsContact OD1-CA 3.3Å; D1149-N1323 WeakPolarHBondContact OD1-CA 3.3Å; D1149-F1324 PolarHBondContact OD1-N 2.72Å; D1149-F1324 VanDerWaalsContact OD1-N 3.13Å |
| 1150 | L | 89.2 | Confident | 87.7 | Confident | 12.2 Ų | 12.2 | 36 Ų | 36 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | trans | -120.3 | 144.4 | -177.8 | -61.6 | -173.5 | 0 | 0 | 0 | 109.6 | P1101 Q1148 M1153 P1154 E1183 F1324 | P1101-L1150 HydrophobicContact CB-CD1 3.71Å; P1101-L1150 HydrophobicContact CB-CG 4.04Å; Q1148-L1150 HydrophobicContact CB-CD2 4.49Å; Q1148-L1150 HydrophobicContact CG-CD2 4.03Å; Q1148-L1150 PolarHBondContact O-N 2.81Å; Q1148-L1150 VanDerWaalsContact O-N 3.14Å; L1150-M1153 HydrophobicContact CB-CB 4.04Å; L1150-M1153 HydrophobicContact CD1-CB 3.7Å; L1150-M1153 HydrophobicContact CD1-CG 4.07Å; L1150-P1154 HydrophobicContact CB-CG 4.22Å; L1150-P1154 WeakPolarHBondContact O-CD 3.39Å; L1150-P1154 VanDerWaalsContact O-CG 3.26Å; L1150-P1154 WeakPolarHBondContact O-CG 3.35Å; L1150-E1183 HydrophobicContact CB-CG 4.46Å; L1150-E1183 HydrophobicContact CD1-CB 4.36Å; L1150-E1183 HydrophobicContact CD1-CG 4.49Å; L1150-E1183 HydrophobicContact CD2-CG 4.2Å; L1150-F1324 HydrophobicContact CB-CD2 4.43Å; L1150-F1324 HydrophobicContact CD1-CE2 4.47Å | ||
| 1151 | T | 89.8 | Confident | 88.4 | Confident | 65.4 Ų | 65.4 | 34.9 Ų | 34.9 | 40% | 0.401 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -87 | -42.4 | -169.4 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | H1155 L1167 E1183 | T1151-H1155 PolarHBondContact O-CD2 3.15Å; T1151-H1155 VanDerWaalsContact O-CD2 3.27Å; T1151-L1167 WeakPolarHBondContact O-CD1 3.36Å; T1151-E1183 WeakPolarHBondContact CA-OE1 3.42Å; T1151-E1183 WeakPolarHBondContact CB-OE1 3.39Å; T1151-E1183 PolarHBondContact N-OE1 3.09Å; T1151-E1183 PolarHBondContact N-OE2 3.15Å; T1151-E1183 PolarHBondContact OG1-OE1 3.07Å |
| 1152 | L | 91.2 | Very high | 89 | Confident | 2.4 Ų | 2.4 | 37.8 Ų | 37.8 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -104 | -41.3 | -177.8 | -84.2 | 171.3 | 0 | 0 | 0 | 112.2 | P1154 H1155 I1156 V1164 L1167 L1168 V1180 E1183 L1191 L1348 | L1152-P1154 VanDerWaalsContact C-CD 3.44Å; L1152-P1154 VanDerWaalsContact C-N 3.33Å; L1152-P1154 VanDerWaalsContact O-N 3.15Å; L1152-H1155 WeakPolarHBondContact O-CA 3.26Å; L1152-H1155 WeakPolarHBondContact O-CB 3.39Å; L1152-H1155 PolarHBondContact O-N 3.07Å; L1152-I1156 HydrophobicContact CB-CD1 4.36Å; L1152-I1156 HydrophobicContact CD2-CD1 4.44Å; L1152-I1156 WeakPolarHBondContact O-CG1 3.33Å; L1152-I1156 PolarHBondContact O-N 3.19Å; L1152-I1156 VanDerWaalsContact O-N 3.14Å; L1152-V1164 HydrophobicContact CD2-CG1 4.46Å; L1152-L1167 HydrophobicContact CD1-CB 3.8Å; L1152-L1167 HydrophobicContact CD1-CD1 4.04Å; L1152-L1167 HydrophobicContact CD2-CB 3.73Å; L1152-L1167 HydrophobicContact CD2-CD1 3.9Å; L1152-L1167 HydrophobicContact CD2-CG 4.48Å; L1152-L1168 HydrophobicContact CD1-CD2 3.78Å; L1152-L1168 HydrophobicContact CD1-CG 4.35Å; L1152-L1168 HydrophobicContact CD2-CD2 4.12Å; L1152-L1168 HydrophobicContact CD2-CG 4.48Å; L1152-V1180 HydrophobicContact CB-CG1 4.14Å; L1152-V1180 HydrophobicContact CD1-CG1 3.5Å; L1152-V1180 HydrophobicContact CD2-CG1 4.33Å; L1152-V1180 HydrophobicContact CG-CG1 3.89Å; L1152-E1183 PolarHBondContact N-OE1 3.08Å; L1152-E1183 PolarHBondContact N-OE2 2.92Å; L1152-L1191 HydrophobicContact CB-CD2 3.9Å; L1152-L1191 HydrophobicContact CD1-CD1 4.05Å; L1152-L1191 HydrophobicContact CD1-CD2 4.46Å; L1152-L1191 HydrophobicContact CD2-CD1 4.02Å; L1152-L1191 HydrophobicContact CD2-CD2 4.24Å; L1152-L1348 HydrophobicContact CD1-CD2 4.12Å |
| 1153 | M | 90.9 | Very high | 89.2 | Confident | 1.2 Ų | 1.2 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -49.7 | -44 | -175.3 | -162.5 | 68.4 | 74.9 | 0 | 0 | 114.1 | L1150 H1155 I1156 L1157 E1183 A1185 L1191 M1194 F1324 | L1150-M1153 HydrophobicContact CB-CB 4.04Å; L1150-M1153 HydrophobicContact CD1-CB 3.7Å; L1150-M1153 HydrophobicContact CD1-CG 4.07Å; M1153-H1155 VanDerWaalsContact C-N 3.28Å; M1153-H1155 PolarHBondContact O-N 3.05Å; M1153-I1156 WeakPolarHBondContact O-CB 3.36Å; M1153-I1156 PolarHBondContact O-N 3.07Å; M1153-L1157 HydrophobicContact CG-CD1 4.33Å; M1153-L1157 WeakPolarHBondContact O-CB 3.42Å; M1153-L1157 VanDerWaalsContact O-CG 3.32Å; M1153-L1157 WeakPolarHBondContact O-CG 3.33Å; M1153-L1157 PolarHBondContact O-N 3.25Å; M1153-E1183 WeakPolarHBondContact CB-OE2 3.5Å; M1153-E1183 HydrophobicContact CE-CB 4.27Å; M1153-E1183 VanDerWaalsContact CE-O 3.29Å; M1153-E1183 WeakPolarHBondContact CE-O 3.34Å; M1153-E1183 PolarHBondContact N-OE2 2.93Å; M1153-A1185 HydrophobicContact CE-CB 4.17Å; M1153-A1185 HydrophobicContact CG-CB 4.29Å; M1153-A1185 HydrophobicContact SD-CB 4.2Å; M1153-L1191 HydrophobicContact CB-CD2 4.41Å; M1153-L1191 HydrophobicContact CE-CD2 3.97Å; M1153-L1191 HydrophobicContact SD-CD2 4.43Å; M1153-M1194 HydrophobicContact SD-CB 3.6Å; M1153-M1194 VanDerWaalsContact SD-CB 3.57Å; M1153-M1194 HydrophobicContact SD-CE 4.14Å; M1153-M1194 HydrophobicContact SD-CG 3.67Å; M1153-F1324 HydrophobicContact CB-CE2 4.12Å; M1153-F1324 HydrophobicContact CG-CE2 4Å |
| 1154 | P | 87.6 | Confident | 89.6 | Confident | 6.4 Ų | 6.4 | 34.5 Ų | 34.5 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.6 | -16.6 | 179.1 | -9.5 | 22.5 | 0 | 0 | 0 | 114 | L1150 L1152 R1158 F1324 W1325 | L1150-P1154 HydrophobicContact CB-CG 4.22Å; L1150-P1154 WeakPolarHBondContact O-CD 3.39Å; L1150-P1154 VanDerWaalsContact O-CG 3.26Å; L1150-P1154 WeakPolarHBondContact O-CG 3.35Å; L1152-P1154 VanDerWaalsContact C-CD 3.44Å; L1152-P1154 VanDerWaalsContact C-N 3.33Å; L1152-P1154 VanDerWaalsContact O-N 3.15Å; P1154-R1158 VanDerWaalsContact CB-NH1 3.31Å; P1154-R1158 WeakPolarHBondContact O-CB 3.49Å; P1154-R1158 VanDerWaalsContact O-CG 3.29Å; P1154-R1158 WeakPolarHBondContact O-CG 3.16Å; P1154-R1158 PolarHBondContact O-N 2.81Å; P1154-R1158 VanDerWaalsContact O-N 3.1Å; P1154-R1158 PolarHBondContact O-NE 2.92Å; P1154-R1158 PolarHBondContact O-NH1 3.15Å; P1154-R1158 PolarHBondContact O-NH2 3.12Å; P1154-F1324 HydrophobicContact CB-CB 4.23Å; P1154-F1324 HydrophobicContact CB-CD1 4.38Å; P1154-F1324 HydrophobicContact CB-CD2 3.88Å; P1154-F1324 HydrophobicContact CB-CE2 3.96Å; P1154-F1324 HydrophobicContact CB-CG 3.78Å; P1154-F1324 HydrophobicContact CG-CB 4.46Å; P1154-F1324 HydrophobicContact CG-CD2 3.85Å; P1154-F1324 HydrophobicContact CG-CE2 4.03Å; P1154-F1324 HydrophobicContact CG-CG 4.28Å; P1154-W1325 HydrophobicContact CB-CB 4.11Å |
| 1155 | H | 89.8 | Confident | 89.8 | Confident | 23.2 Ų | 23.2 | 34 Ų | 34 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -88 | -33.3 | 173.3 | -61.4 | -50.3 | 0 | 0 | 0 | 111.7 | T1151 L1152 M1153 R1158 A1159 N1160 Q1163 V1164 L1167 | T1151-H1155 PolarHBondContact O-CD2 3.15Å; T1151-H1155 VanDerWaalsContact O-CD2 3.27Å; L1152-H1155 WeakPolarHBondContact O-CA 3.26Å; L1152-H1155 WeakPolarHBondContact O-CB 3.39Å; L1152-H1155 PolarHBondContact O-N 3.07Å; M1153-H1155 VanDerWaalsContact C-N 3.28Å; M1153-H1155 PolarHBondContact O-N 3.05Å; H1155-R1158 PolarHBondContact CE1-NH2 3.16Å; H1155-R1158 PolarHBondContact ND1-NH2 3.13Å; H1155-R1158 PolarHBondContact O-N 3.19Å; H1155-A1159 PolarHBondContact O-N 3.22Å; H1155-A1159 VanDerWaalsContact O-N 3.16Å; H1155-N1160 HydrophobicContact CB-CB 4.44Å; H1155-N1160 PolarHBondContact O-N 3.1Å; H1155-Q1163 VanDerWaalsContact CD2-CG 3.46Å; H1155-Q1163 WeakPolarHBondContact CD2-CG 3.35Å; H1155-Q1163 VanDerWaalsContact CE1-CG 3.43Å; H1155-Q1163 WeakPolarHBondContact CE1-CG 3.33Å; H1155-Q1163 WeakPolarHBondContact NE2-CG 3.35Å; H1155-V1164 HydrophobicContact CB-CG2 3.68Å; H1155-L1167 VanDerWaalsContact CD2-CD1 3.45Å; H1155-L1167 WeakPolarHBondContact CD2-CD1 3.34Å |
| 1156 | I | 92.2 | Very high | 90.1 | Very high | 0.8 Ų | 0.8 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -52.4 | 169.5 | -60.8 | 173.7 | 0 | 0 | 0 | 110.1 | L1152 M1153 R1158 A1159 V1164 L1191 M1194 A1195 M1198 I1344 L1348 | L1152-I1156 HydrophobicContact CB-CD1 4.36Å; L1152-I1156 HydrophobicContact CD2-CD1 4.44Å; L1152-I1156 WeakPolarHBondContact O-CG1 3.33Å; L1152-I1156 PolarHBondContact O-N 3.19Å; L1152-I1156 VanDerWaalsContact O-N 3.14Å; M1153-I1156 WeakPolarHBondContact O-CB 3.36Å; M1153-I1156 PolarHBondContact O-N 3.07Å; I1156-R1158 VanDerWaalsContact C-N 3.26Å; I1156-R1158 PolarHBondContact O-N 3.06Å; I1156-R1158 VanDerWaalsContact O-N 3.11Å; I1156-A1159 WeakPolarHBondContact O-CA 3.42Å; I1156-A1159 PolarHBondContact O-N 3.25Å; I1156-V1164 HydrophobicContact CG1-CG2 4.3Å; I1156-L1191 HydrophobicContact CD1-CB 4.05Å; I1156-L1191 HydrophobicContact CD1-CD2 3.52Å; I1156-L1191 HydrophobicContact CD1-CG 4.37Å; I1156-M1194 HydrophobicContact CB-CG 4.48Å; I1156-M1194 HydrophobicContact CG2-CB 4.16Å; I1156-M1194 HydrophobicContact CG2-CG 3.82Å; I1156-A1195 HydrophobicContact CG2-CB 4.11Å; I1156-M1198 HydrophobicContact CG2-CG 4.46Å; I1156-I1344 HydrophobicContact CB-CG2 4.32Å; I1156-I1344 HydrophobicContact CG1-CG2 3.83Å; I1156-I1344 HydrophobicContact CG2-CG2 4.09Å; I1156-L1348 HydrophobicContact CD1-CD1 3.84Å; I1156-L1348 HydrophobicContact CD1-CD2 4.38Å; I1156-L1348 HydrophobicContact CG1-CD1 4.46Å |
| 1157 | L | 87.8 | Confident | 90.1 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -31.2 | -179.8 | -80.1 | 168.2 | 0 | 0 | 0 | 114.3 | K37 D1099 M1153 A1159 M1194 M1198 F1324 | K37-L1157 HydrophobicContact CG-CB 4.31Å; K37-L1157 HydrophobicContact CG-CD2 4.5Å; D1099-L1157 HydrophobicContact CB-CD1 4.07Å; D1099-L1157 HydrophobicContact CB-CD2 3.63Å; D1099-L1157 HydrophobicContact CB-CG 4.48Å; M1153-L1157 HydrophobicContact CG-CD1 4.33Å; M1153-L1157 WeakPolarHBondContact O-CB 3.42Å; M1153-L1157 VanDerWaalsContact O-CG 3.32Å; M1153-L1157 WeakPolarHBondContact O-CG 3.33Å; M1153-L1157 PolarHBondContact O-N 3.25Å; L1157-A1159 VanDerWaalsContact C-N 3.32Å; L1157-M1194 HydrophobicContact CD1-CE 4.19Å; L1157-M1194 HydrophobicContact CD1-SD 4.24Å; L1157-M1194 HydrophobicContact CD2-CE 3.89Å; L1157-M1194 HydrophobicContact CD2-CG 4Å; L1157-M1194 HydrophobicContact CD2-SD 3.4Å; L1157-M1194 WeakPolarHBondContact CD2-SD 3.33Å; L1157-M1194 HydrophobicContact CG-CE 4.12Å; L1157-M1194 HydrophobicContact CG-CG 4.13Å; L1157-M1194 HydrophobicContact CG-SD 4.11Å; L1157-M1198 HydrophobicContact CD2-SD 4.24Å; L1157-M1198 VanDerWaalsContact O-CE 3.23Å; L1157-M1198 WeakPolarHBondContact O-CE 3.42Å; L1157-F1324 HydrophobicContact CD1-CE1 4.34Å; L1157-F1324 HydrophobicContact CD1-CE2 4.22Å; L1157-F1324 HydrophobicContact CD1-CZ 3.76Å |
| 1158 | R | 85.8 | Confident | 90.2 | Very high | 36.6 Ų | 36.6 | 38.6 Ų | 38.6 | 14% | 0.138 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 7.4 | 176.8 | -65 | -177.9 | -126.3 | 133.3 | -2.8 | 113.4 | I36 K37 P1154 H1155 I1156 N1160 F1324 L1327 P1328 V1330 | I36-R1158 PolarHBondContact O-NE 3.27Å; I36-R1158 PolarHBondContact O-NH2 2.7Å; K37-R1158 WeakPolarHBondContact O-CG 3.49Å; P1154-R1158 VanDerWaalsContact CB-NH1 3.31Å; P1154-R1158 WeakPolarHBondContact O-CB 3.49Å; P1154-R1158 VanDerWaalsContact O-CG 3.29Å; P1154-R1158 WeakPolarHBondContact O-CG 3.16Å; P1154-R1158 PolarHBondContact O-N 2.81Å; P1154-R1158 VanDerWaalsContact O-N 3.1Å; P1154-R1158 PolarHBondContact O-NE 2.92Å; P1154-R1158 PolarHBondContact O-NH1 3.15Å; P1154-R1158 PolarHBondContact O-NH2 3.12Å; H1155-R1158 PolarHBondContact CE1-NH2 3.16Å; H1155-R1158 PolarHBondContact ND1-NH2 3.13Å; H1155-R1158 PolarHBondContact O-N 3.19Å; I1156-R1158 VanDerWaalsContact C-N 3.26Å; I1156-R1158 PolarHBondContact O-N 3.06Å; I1156-R1158 VanDerWaalsContact O-N 3.11Å; R1158-N1160 PolarHBondContact O-N 3.15Å; R1158-F1324 PolarHBondContact NH2-O 3.19Å; R1158-F1324 VanDerWaalsContact NH2-O 3.08Å; R1158-L1327 VanDerWaalsContact CZ-CB 3.42Å; R1158-L1327 VanDerWaalsContact NH1-CB 3.35Å; R1158-P1328 PolarHBondContact NH1-O 2.88Å; R1158-V1330 HydrophobicContact CB-CG2 4.24Å |
| 1159 | A | 89.8 | Confident | 90.2 | Very high | 0.4 Ų | 0.4 | 38.4 Ų | 38.4 | 0% | 0.003 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 42.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1155 I1156 L1157 D1161 M1198 K1332 R1337 S1340 S1341 I1344 | H1155-A1159 PolarHBondContact O-N 3.22Å; H1155-A1159 VanDerWaalsContact O-N 3.16Å; I1156-A1159 WeakPolarHBondContact O-CA 3.42Å; I1156-A1159 PolarHBondContact O-N 3.25Å; L1157-A1159 VanDerWaalsContact C-N 3.32Å; A1159-D1161 PolarHBondContact O-N 3.18Å; A1159-M1198 HydrophobicContact CB-CE 3.85Å; A1159-K1332 PolarHBondContact O-NZ 3.22Å; A1159-R1337 HydrophobicContact CB-CG 3.81Å; A1159-R1337 WeakPolarHBondContact CB-O 3.37Å; A1159-S1340 VanDerWaalsContact O-CB 3.27Å; A1159-S1340 WeakPolarHBondContact O-CB 3.43Å; A1159-S1341 WeakPolarHBondContact CB-OG 3.28Å; A1159-I1344 HydrophobicContact CB-CD1 4.48Å |
| 1160 | N | 91.2 | Very high | 90.2 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | trans | -94.8 | 78.1 | -180 | -171.2 | -6 | 0 | 0 | 0 | 111.1 | H1155 R1158 V1162 Q1163 V1164 V1330 | H1155-N1160 HydrophobicContact CB-CB 4.44Å; H1155-N1160 PolarHBondContact O-N 3.1Å; R1158-N1160 PolarHBondContact O-N 3.15Å; N1160-V1162 VanDerWaalsContact C-N 3.34Å; N1160-V1162 PolarHBondContact O-N 3.12Å; N1160-Q1163 HydrophobicContact CB-CB 4.45Å; N1160-Q1163 WeakPolarHBondContact ND2-CB 3.33Å; N1160-Q1163 PolarHBondContact O-N 2.9Å; N1160-Q1163 PolarHBondContact OD1-N 2.94Å; N1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; N1160-V1164 PolarHBondContact O-N 2.83Å; N1160-V1164 VanDerWaalsContact O-N 3.11Å; N1160-V1330 HydrophobicContact CB-CG2 4.32Å | ||
| 1161 | D | 92.8 | Very high | 89.7 | Confident | 16.6 Ų | 16.6 | 42.5 Ų | 42.5 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -41 | -177.8 | 58.4 | -60.3 | 0 | 0 | 0 | 113.3 | A1159 Q1163 V1164 E1165 K1332 S1340 R1343 I1344 | A1159-D1161 PolarHBondContact O-N 3.18Å; D1161-Q1163 VanDerWaalsContact C-N 3.32Å; D1161-Q1163 PolarHBondContact O-N 3.15Å; D1161-V1164 PolarHBondContact O-N 3.11Å; D1161-E1165 VanDerWaalsContact O-CB 3.27Å; D1161-E1165 WeakPolarHBondContact O-CB 3.26Å; D1161-E1165 PolarHBondContact O-N 2.94Å; D1161-K1332 IonicContact OD1-NZ 3.17Å; D1161-K1332 PolarHBondContact OD1-NZ 3.02Å; D1161-K1332 VanDerWaalsContact OD1-NZ 3.14Å; D1161-S1340 VanDerWaalsContact CG-OG 3.27Å; D1161-S1340 WeakPolarHBondContact OD1-CB 3.38Å; D1161-S1340 PolarHBondContact OD1-OG 3.18Å; D1161-R1343 HydrophobicContact CB-CB 4.38Å; D1161-R1343 HydrophobicContact CB-CG 4.43Å; D1161-R1343 WeakPolarHBondContact OD2-CD 3.31Å; D1161-R1343 IonicContact OD2-CZ 2.94Å; D1161-R1343 IonicContact OD2-NE 2.66Å; D1161-R1343 IonicContact OD2-NH1 3.49Å; D1161-R1343 PolarHBondContact OD2-NH1 2.86Å; D1161-I1344 HydrophobicContact CB-CD1 4.25Å; D1161-I1344 HydrophobicContact CB-CG1 3.87Å |
| 1162 | V | 93.1 | Very high | 89.3 | Confident | 90.8 Ų | 90.8 | 41.5 Ų | 41.5 | 55% | 0.55 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.1 | -38.3 | 180 | -179 | 0 | 0 | 0 | 0 | 112 | N1160 K1166 | N1160-V1162 VanDerWaalsContact C-N 3.34Å; N1160-V1162 PolarHBondContact O-N 3.12Å; V1162-K1166 WeakPolarHBondContact O-CB 3.41Å; V1162-K1166 PolarHBondContact O-N 3.07Å |
| 1163 | Q | 90.6 | Very high | 88.9 | Confident | 45.6 Ų | 45.6 | 44 Ų | 44 | 21% | 0.213 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.8 | -32.4 | 179.3 | -177.5 | 60.6 | 21 | 0 | 0 | 112.3 | H1155 N1160 D1161 K1166 L1167 | H1155-Q1163 VanDerWaalsContact CD2-CG 3.46Å; H1155-Q1163 WeakPolarHBondContact CD2-CG 3.35Å; H1155-Q1163 VanDerWaalsContact CE1-CG 3.43Å; H1155-Q1163 WeakPolarHBondContact CE1-CG 3.33Å; H1155-Q1163 WeakPolarHBondContact NE2-CG 3.35Å; N1160-Q1163 HydrophobicContact CB-CB 4.45Å; N1160-Q1163 WeakPolarHBondContact ND2-CB 3.33Å; N1160-Q1163 PolarHBondContact O-N 2.9Å; N1160-Q1163 PolarHBondContact OD1-N 2.94Å; D1161-Q1163 VanDerWaalsContact C-N 3.32Å; D1161-Q1163 PolarHBondContact O-N 3.15Å; Q1163-K1166 PolarHBondContact O-N 3.07Å; Q1163-L1167 HydrophobicContact CG-CD1 4.28Å; Q1163-L1167 WeakPolarHBondContact O-CB 3.28Å; Q1163-L1167 VanDerWaalsContact O-CG 3.3Å; Q1163-L1167 WeakPolarHBondContact O-CG 3.38Å; Q1163-L1167 PolarHBondContact O-N 3.17Å; Q1163-L1167 VanDerWaalsContact O-N 3.07Å |
| 1164 | V | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 169.5 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | L1152 H1155 I1156 N1160 D1161 K1166 L1167 L1168 I1344 | L1152-V1164 HydrophobicContact CD2-CG1 4.46Å; H1155-V1164 HydrophobicContact CB-CG2 3.68Å; I1156-V1164 HydrophobicContact CG1-CG2 4.3Å; N1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; N1160-V1164 PolarHBondContact O-N 2.83Å; N1160-V1164 VanDerWaalsContact O-N 3.11Å; D1161-V1164 PolarHBondContact O-N 3.11Å; V1164-K1166 VanDerWaalsContact C-N 3.33Å; V1164-K1166 PolarHBondContact O-N 3.03Å; V1164-L1167 PolarHBondContact O-N 3.1Å; V1164-L1168 HydrophobicContact CG1-CD1 3.64Å; V1164-L1168 HydrophobicContact CG1-CG 4.28Å; V1164-L1168 WeakPolarHBondContact O-CB 3.38Å; V1164-L1168 WeakPolarHBondContact O-CG 3.34Å; V1164-L1168 PolarHBondContact O-N 2.94Å; V1164-I1344 HydrophobicContact CB-CG1 4.37Å; V1164-I1344 HydrophobicContact CG1-CG2 4.49Å; V1164-I1344 HydrophobicContact CG2-CD1 4.47Å; V1164-I1344 HydrophobicContact CG2-CG1 4.22Å |
| 1165 | E | 93.3 | Very high | 88.2 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.6 | -46.5 | 175.5 | -175 | 168.2 | -140.1 | 0 | 0 | 111.6 | D1161 L1167 L1168 A1169 R1343 L1347 | D1161-E1165 VanDerWaalsContact O-CB 3.27Å; D1161-E1165 WeakPolarHBondContact O-CB 3.26Å; D1161-E1165 PolarHBondContact O-N 2.94Å; E1165-L1167 VanDerWaalsContact C-N 3.34Å; E1165-L1167 PolarHBondContact O-N 3.22Å; E1165-L1168 PolarHBondContact O-N 3Å; E1165-A1169 VanDerWaalsContact O-CB 3.23Å; E1165-A1169 WeakPolarHBondContact O-CB 3.36Å; E1165-A1169 PolarHBondContact O-N 3.09Å; E1165-R1343 IonicContact OE1-CZ 3Å; E1165-R1343 IonicContact OE1-NH2 3Å; E1165-R1343 PolarHBondContact OE1-NH2 3.31Å; E1165-R1343 IonicContact OE2-CZ 3.31Å; E1165-R1343 VanDerWaalsContact OE2-CZ 3.26Å; E1165-R1343 IonicContact OE2-NH1 3.24Å; E1165-R1343 PolarHBondContact OE2-NH1 2.73Å; E1165-R1343 IonicContact OE2-NH2 3.09Å; E1165-R1343 PolarHBondContact OE2-NH2 3.26Å; E1165-L1347 HydrophobicContact CB-CD1 3.86Å; E1165-L1347 HydrophobicContact CB-CD2 4.38Å; E1165-L1347 HydrophobicContact CG-CD1 4.47Å; E1165-L1347 HydrophobicContact CG-CD2 4.24Å |
| 1166 | K | 92.5 | Very high | 87.8 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.2 | -39.4 | 176.9 | -176.6 | -178.8 | 174.6 | -173.2 | 0 | 113.4 | V1162 Q1163 V1164 A1170 | V1162-K1166 WeakPolarHBondContact O-CB 3.41Å; V1162-K1166 PolarHBondContact O-N 3.07Å; Q1163-K1166 PolarHBondContact O-N 3.07Å; V1164-K1166 VanDerWaalsContact C-N 3.33Å; V1164-K1166 PolarHBondContact O-N 3.03Å; K1166-A1170 PolarHBondContact O-N 3.11Å |
| 1167 | L | 90.3 | Very high | 87.3 | Confident | 51.4 Ų | 51.4 | 57.7 Ų | 57.7 | 27% | 0.269 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75 | -38.3 | -179.9 | -72.3 | 169.5 | 0 | 0 | 0 | 112.2 | T1151 L1152 H1155 Q1163 V1164 E1165 A1169 A1170 | T1151-L1167 WeakPolarHBondContact O-CD1 3.36Å; L1152-L1167 HydrophobicContact CD1-CB 3.8Å; L1152-L1167 HydrophobicContact CD1-CD1 4.04Å; L1152-L1167 HydrophobicContact CD2-CB 3.73Å; L1152-L1167 HydrophobicContact CD2-CD1 3.9Å; L1152-L1167 HydrophobicContact CD2-CG 4.48Å; H1155-L1167 VanDerWaalsContact CD2-CD1 3.45Å; H1155-L1167 WeakPolarHBondContact CD2-CD1 3.34Å; Q1163-L1167 HydrophobicContact CG-CD1 4.28Å; Q1163-L1167 WeakPolarHBondContact O-CB 3.28Å; Q1163-L1167 VanDerWaalsContact O-CG 3.3Å; Q1163-L1167 WeakPolarHBondContact O-CG 3.38Å; Q1163-L1167 PolarHBondContact O-N 3.17Å; Q1163-L1167 VanDerWaalsContact O-N 3.07Å; V1164-L1167 PolarHBondContact O-N 3.1Å; E1165-L1167 VanDerWaalsContact C-N 3.34Å; E1165-L1167 PolarHBondContact O-N 3.22Å; L1167-A1169 VanDerWaalsContact C-N 3.3Å; L1167-A1169 PolarHBondContact O-N 3.12Å; L1167-A1170 WeakPolarHBondContact O-CB 3.24Å; L1167-A1170 PolarHBondContact O-N 2.99Å |
| 1168 | L | 89.5 | Confident | 87.1 | Confident | 14.6 Ų | 14.6 | 61 Ų | 61 | 8% | 0.076 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74 | -21 | 175.6 | -65.1 | 174.5 | 0 | 0 | 0 | 113.1 | L1152 V1164 E1165 L1347 L1348 H1353 L1354 | L1152-L1168 HydrophobicContact CD1-CD2 3.78Å; L1152-L1168 HydrophobicContact CD1-CG 4.35Å; L1152-L1168 HydrophobicContact CD2-CD2 4.12Å; L1152-L1168 HydrophobicContact CD2-CG 4.48Å; V1164-L1168 HydrophobicContact CG1-CD1 3.64Å; V1164-L1168 HydrophobicContact CG1-CG 4.28Å; V1164-L1168 WeakPolarHBondContact O-CB 3.38Å; V1164-L1168 WeakPolarHBondContact O-CG 3.34Å; V1164-L1168 PolarHBondContact O-N 2.94Å; E1165-L1168 PolarHBondContact O-N 3Å; L1168-L1347 HydrophobicContact CD1-CB 4.14Å; L1168-L1347 WeakPolarHBondContact CD1-O 3.45Å; L1168-L1348 HydrophobicContact CD1-CD2 4.26Å; L1168-H1353 PolarHBondContact O-CD2 3.04Å; L1168-L1354 HydrophobicContact CD2-CD1 4.1Å; L1168-L1354 HydrophobicContact CD2-CG 4.45Å |
| 1169 | A | 88.3 | Confident | 87.1 | Confident | 68.2 Ų | 68.2 | 66.3 Ų | 66.3 | 56% | 0.564 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -80.3 | -17 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1165 L1167 R1352 | E1165-A1169 VanDerWaalsContact O-CB 3.23Å; E1165-A1169 WeakPolarHBondContact O-CB 3.36Å; E1165-A1169 PolarHBondContact O-N 3.09Å; L1167-A1169 VanDerWaalsContact C-N 3.3Å; L1167-A1169 PolarHBondContact O-N 3.12Å; A1169-R1352 PolarHBondContact O-NH2 3.05Å |
| 1170 | A | 85.5 | Confident | 87 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -66.5 | 149.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1166 L1167 L1172 R1352 H1353 | K1166-A1170 PolarHBondContact O-N 3.11Å; L1167-A1170 WeakPolarHBondContact O-CB 3.24Å; L1167-A1170 PolarHBondContact O-N 2.99Å; A1170-L1172 VanDerWaalsContact C-N 3.3Å; A1170-L1172 PolarHBondContact O-N 3.2Å; A1170-R1352 PolarHBondContact O-NH2 3.24Å; A1170-R1352 VanDerWaalsContact O-NH2 3.11Å; A1170-H1353 PolarHBondContact O-NE2 3.25Å |
| 1171 | D | 80.1 | Confident | 86.8 | Confident | 143.2 Ų | 143.2 | 65.1 Ų | 65.1 | 77% | 0.766 | 36% | 0.363 | S | S | * | . | trans | -78.4 | 80.1 | 173.4 | -69.1 | -46.8 | 0 | 0 | 0 | 110.4 | R1352 | D1171-R1352 IonicContact OD1-CZ 3.53Å; D1171-R1352 IonicContact OD1-NH1 3.37Å; D1171-R1352 PolarHBondContact OD1-NH1 3.24Å; D1171-R1352 IonicContact OD1-NH2 3.31Å; D1171-R1352 PolarHBondContact OD1-NH2 3.02Å | ||
| 1172 | L | 81 | Confident | 86.5 | Confident | 44.2 Ų | 44.2 | 67.9 Ų | 67.9 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | trans | -70.5 | 140.7 | 173.5 | -69.1 | 146.6 | 0 | 0 | 0 | 110.8 | A1170 E1176 S1177 V1180 H1353 | A1170-L1172 VanDerWaalsContact C-N 3.3Å; A1170-L1172 PolarHBondContact O-N 3.2Å; L1172-E1176 HydrophobicContact CB-CB 4.35Å; L1172-E1176 HydrophobicContact CD2-CB 3.79Å; L1172-S1177 VanDerWaalsContact CB-OG 3.3Å; L1172-S1177 WeakPolarHBondContact CB-OG 3.36Å; L1172-V1180 HydrophobicContact CD2-CG2 4.41Å; L1172-H1353 HydrophobicContact CD1-CB 4.46Å | ||
| 1173 | S | 83.6 | Confident | 86.5 | Confident | 54.4 Ų | 54.4 | 64 Ų | 64 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | trans | -68.7 | 161.5 | 167.3 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | V1175 E1176 S1177 | S1173-V1175 VanDerWaalsContact C-N 3.3Å; S1173-V1175 PolarHBondContact O-N 3.04Å; S1173-V1175 VanDerWaalsContact O-N 3.12Å; S1173-E1176 VanDerWaalsContact CB-OE2 3.25Å; S1173-E1176 WeakPolarHBondContact CB-OE2 3.38Å; S1173-E1176 PolarHBondContact N-OE2 3.09Å; S1173-E1176 PolarHBondContact O-N 3.27Å; S1173-E1176 VanDerWaalsContact O-N 3.09Å; S1173-E1176 WeakPolarHBondContact OG-CB 3.19Å; S1173-E1176 VanDerWaalsContact OG-CD 3.3Å; S1173-E1176 VanDerWaalsContact OG-CG 3.29Å; S1173-E1176 WeakPolarHBondContact OG-CG 3.37Å; S1173-E1176 PolarHBondContact OG-N 2.94Å; S1173-E1176 PolarHBondContact OG-OE2 3.11Å; S1173-S1177 WeakPolarHBondContact O-CB 3.44Å; S1173-S1177 PolarHBondContact O-N 3.07Å; S1173-S1177 PolarHBondContact O-OG 3.04Å; S1173-S1177 VanDerWaalsContact O-OG 3.1Å | ||
| 1174 | S | 79.5 | Confident | 86.4 | Confident | 100.8 Ų | 100.8 | 64 Ų | 64 | 71% | 0.705 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.5 | -37.9 | 177.2 | 134.4 | 0 | 0 | 0 | 0 | 113.1 | S1177 L1178 | S1174-S1177 PolarHBondContact O-N 2.78Å; S1174-L1178 WeakPolarHBondContact O-CB 3.37Å; S1174-L1178 WeakPolarHBondContact O-CG 3.46Å; S1174-L1178 PolarHBondContact O-N 3.06Å |
| 1175 | V | 82.7 | Confident | 86.2 | Confident | 112.2 Ų | 112.2 | 64 Ų | 64 | 68% | 0.68 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69 | -40.2 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | S1173 K1179 | S1173-V1175 VanDerWaalsContact C-N 3.3Å; S1173-V1175 PolarHBondContact O-N 3.04Å; S1173-V1175 VanDerWaalsContact O-N 3.12Å; V1175-K1179 VanDerWaalsContact O-CB 3.31Å; V1175-K1179 WeakPolarHBondContact O-CB 3.35Å; V1175-K1179 PolarHBondContact O-N 3.05Å |
| 1176 | E | 82.6 | Confident | 85.8 | Confident | 96.6 Ų | 96.6 | 60.5 Ų | 60.5 | 45% | 0.451 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 176.1 | -68.5 | 162.9 | 127.2 | 0 | 0 | 111.5 | L1172 S1173 L1178 K1179 V1180 | L1172-E1176 HydrophobicContact CB-CB 4.35Å; L1172-E1176 HydrophobicContact CD2-CB 3.79Å; S1173-E1176 VanDerWaalsContact CB-OE2 3.25Å; S1173-E1176 WeakPolarHBondContact CB-OE2 3.38Å; S1173-E1176 PolarHBondContact N-OE2 3.09Å; S1173-E1176 PolarHBondContact O-N 3.27Å; S1173-E1176 VanDerWaalsContact O-N 3.09Å; S1173-E1176 WeakPolarHBondContact OG-CB 3.19Å; S1173-E1176 VanDerWaalsContact OG-CD 3.3Å; S1173-E1176 VanDerWaalsContact OG-CG 3.29Å; S1173-E1176 WeakPolarHBondContact OG-CG 3.37Å; S1173-E1176 PolarHBondContact OG-N 2.94Å; S1173-E1176 PolarHBondContact OG-OE2 3.11Å; E1176-L1178 VanDerWaalsContact C-N 3.31Å; E1176-L1178 PolarHBondContact O-N 2.87Å; E1176-K1179 WeakPolarHBondContact O-CB 3.37Å; E1176-K1179 PolarHBondContact O-N 3.01Å; E1176-K1179 VanDerWaalsContact O-N 3.14Å; E1176-V1180 WeakPolarHBondContact O-CB 3.37Å; E1176-V1180 VanDerWaalsContact O-CG2 3.27Å; E1176-V1180 WeakPolarHBondContact O-CG2 3.46Å; E1176-V1180 PolarHBondContact O-N 3.04Å |
| 1177 | S | 81.9 | Confident | 85.2 | Confident | 10.4 Ų | 10.4 | 54 Ų | 54 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 175 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | L1172 S1173 S1174 V1180 A1181 H1353 | L1172-S1177 VanDerWaalsContact CB-OG 3.3Å; L1172-S1177 WeakPolarHBondContact CB-OG 3.36Å; S1173-S1177 WeakPolarHBondContact O-CB 3.44Å; S1173-S1177 PolarHBondContact O-N 3.07Å; S1173-S1177 PolarHBondContact O-OG 3.04Å; S1173-S1177 VanDerWaalsContact O-OG 3.1Å; S1174-S1177 PolarHBondContact O-N 2.78Å; S1177-V1180 PolarHBondContact O-N 3.06Å; S1177-A1181 WeakPolarHBondContact O-CB 3.35Å; S1177-A1181 PolarHBondContact O-N 3.23Å; S1177-H1353 PolarHBondContact OG-ND1 3.2Å; S1177-H1353 VanDerWaalsContact OG-ND1 3.11Å |
| 1178 | L | 82.9 | Confident | 85 | Confident | 90.6 Ų | 90.6 | 53.5 Ų | 53.5 | 47% | 0.474 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 174 | -153.7 | 128.4 | 0 | 0 | 0 | 112 | S1174 E1176 V1180 A1181 C1182 | S1174-L1178 WeakPolarHBondContact O-CB 3.37Å; S1174-L1178 WeakPolarHBondContact O-CG 3.46Å; S1174-L1178 PolarHBondContact O-N 3.06Å; E1176-L1178 VanDerWaalsContact C-N 3.31Å; E1176-L1178 PolarHBondContact O-N 2.87Å; L1178-V1180 VanDerWaalsContact C-N 3.29Å; L1178-V1180 PolarHBondContact O-N 3.03Å; L1178-A1181 WeakPolarHBondContact O-CB 3.34Å; L1178-A1181 PolarHBondContact O-N 3.24Å; L1178-A1181 VanDerWaalsContact O-N 3.13Å; L1178-C1182 WeakPolarHBondContact O-CB 3.38Å; L1178-C1182 PolarHBondContact O-N 3.04Å; L1178-C1182 PolarHBondContact O-SG 3.03Å; L1178-C1182 VanDerWaalsContact O-SG 3.35Å |
| 1179 | K | 85.6 | Confident | 85 | Confident | 148.8 Ų | 148.8 | 53.6 Ų | 53.6 | 65% | 0.647 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.8 | -40.1 | 176.5 | -178 | -175.4 | 175.5 | -172.1 | 0 | 112 | V1175 E1176 C1182 | V1175-K1179 VanDerWaalsContact O-CB 3.31Å; V1175-K1179 WeakPolarHBondContact O-CB 3.35Å; V1175-K1179 PolarHBondContact O-N 3.05Å; E1176-K1179 WeakPolarHBondContact O-CB 3.37Å; E1176-K1179 PolarHBondContact O-N 3.01Å; E1176-K1179 VanDerWaalsContact O-N 3.14Å; K1179-C1182 PolarHBondContact O-N 3.29Å |
| 1180 | V | 87.3 | Confident | 85.3 | Confident | 12.4 Ų | 12.4 | 50.5 Ų | 50.5 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111 | L1152 L1172 E1176 S1177 L1178 C1182 E1183 L1191 L1354 | L1152-V1180 HydrophobicContact CB-CG1 4.14Å; L1152-V1180 HydrophobicContact CD1-CG1 3.5Å; L1152-V1180 HydrophobicContact CD2-CG1 4.33Å; L1152-V1180 HydrophobicContact CG-CG1 3.89Å; L1172-V1180 HydrophobicContact CD2-CG2 4.41Å; E1176-V1180 WeakPolarHBondContact O-CB 3.37Å; E1176-V1180 VanDerWaalsContact O-CG2 3.27Å; E1176-V1180 WeakPolarHBondContact O-CG2 3.46Å; E1176-V1180 PolarHBondContact O-N 3.04Å; S1177-V1180 PolarHBondContact O-N 3.06Å; L1178-V1180 VanDerWaalsContact C-N 3.29Å; L1178-V1180 PolarHBondContact O-N 3.03Å; V1180-C1182 VanDerWaalsContact C-N 3.26Å; V1180-C1182 PolarHBondContact O-N 3.05Å; V1180-E1183 WeakPolarHBondContact O-CB 3.36Å; V1180-E1183 WeakPolarHBondContact O-CG 3.28Å; V1180-E1183 PolarHBondContact O-N 3.25Å; V1180-E1183 VanDerWaalsContact O-N 3.12Å; V1180-L1191 HydrophobicContact CG1-CD1 4.37Å; V1180-L1191 WeakPolarHBondContact O-CD1 3.35Å; V1180-L1354 HydrophobicContact CG1-CD2 4.43Å |
| 1181 | A | 86.9 | Confident | 85.7 | Confident | 5.4 Ų | 5.4 | 48.3 Ų | 48.3 | 5% | 0.045 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -32 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1177 L1178 E1183 L1354 L1361 | S1177-A1181 WeakPolarHBondContact O-CB 3.35Å; S1177-A1181 PolarHBondContact O-N 3.23Å; L1178-A1181 WeakPolarHBondContact O-CB 3.34Å; L1178-A1181 PolarHBondContact O-N 3.24Å; L1178-A1181 VanDerWaalsContact O-N 3.13Å; A1181-E1183 VanDerWaalsContact C-N 3.27Å; A1181-E1183 PolarHBondContact O-N 3.1Å; A1181-L1354 HydrophobicContact CB-CD2 3.78Å; A1181-L1361 WeakPolarHBondContact O-CD2 3.34Å |
| 1182 | C | 87.7 | Confident | 86.5 | Confident | 74.8 Ų | 74.8 | 41.6 Ų | 41.6 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 7.5 | 177.4 | -66.7 | 0 | 0 | 0 | 0 | 114.8 | L1178 K1179 V1180 L1184 | L1178-C1182 WeakPolarHBondContact O-CB 3.38Å; L1178-C1182 PolarHBondContact O-N 3.04Å; L1178-C1182 PolarHBondContact O-SG 3.03Å; L1178-C1182 VanDerWaalsContact O-SG 3.35Å; K1179-C1182 PolarHBondContact O-N 3.29Å; V1180-C1182 VanDerWaalsContact C-N 3.26Å; V1180-C1182 PolarHBondContact O-N 3.05Å; C1182-L1184 PolarHBondContact O-N 3.04Å |
| 1183 | E | 91.5 | Very high | 87.1 | Confident | 10.4 Ų | 10.4 | 39.4 Ų | 39.4 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | trans | -66.9 | 121.5 | 176 | -72.7 | -172.7 | -172.2 | 0 | 0 | 112.1 | L1150 T1151 L1152 M1153 V1180 A1181 L1191 | L1150-E1183 HydrophobicContact CB-CG 4.46Å; L1150-E1183 HydrophobicContact CD1-CB 4.36Å; L1150-E1183 HydrophobicContact CD1-CG 4.49Å; L1150-E1183 HydrophobicContact CD2-CG 4.2Å; T1151-E1183 WeakPolarHBondContact CA-OE1 3.42Å; T1151-E1183 WeakPolarHBondContact CB-OE1 3.39Å; T1151-E1183 PolarHBondContact N-OE1 3.09Å; T1151-E1183 PolarHBondContact N-OE2 3.15Å; T1151-E1183 PolarHBondContact OG1-OE1 3.07Å; L1152-E1183 PolarHBondContact N-OE1 3.08Å; L1152-E1183 PolarHBondContact N-OE2 2.92Å; M1153-E1183 WeakPolarHBondContact CB-OE2 3.5Å; M1153-E1183 HydrophobicContact CE-CB 4.27Å; M1153-E1183 VanDerWaalsContact CE-O 3.29Å; M1153-E1183 WeakPolarHBondContact CE-O 3.34Å; M1153-E1183 PolarHBondContact N-OE2 2.93Å; V1180-E1183 WeakPolarHBondContact O-CB 3.36Å; V1180-E1183 WeakPolarHBondContact O-CG 3.28Å; V1180-E1183 PolarHBondContact O-N 3.25Å; V1180-E1183 VanDerWaalsContact O-N 3.12Å; A1181-E1183 VanDerWaalsContact C-N 3.27Å; A1181-E1183 PolarHBondContact O-N 3.1Å; E1183-L1191 HydrophobicContact CB-CD2 3.92Å; E1183-L1191 HydrophobicContact CB-CG 4.34Å | ||
| 1184 | L | 90.2 | Very high | 87.6 | Confident | 43.8 Ų | 43.8 | 36.9 Ų | 36.9 | 23% | 0.229 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144.5 | 177.7 | -61.7 | 179.7 | 0 | 0 | 0 | 111.2 | V1050 L1076 P1102 C1182 R1189 N1190 | V1050-L1184 HydrophobicContact CG2-CD1 4.25Å; L1076-L1184 HydrophobicContact CD1-CB 3.94Å; L1076-L1184 HydrophobicContact CD1-CD1 3.95Å; L1076-L1184 HydrophobicContact CD1-CG 4.48Å; L1076-L1184 HydrophobicContact CD2-CB 4.17Å; P1102-L1184 WeakPolarHBondContact CD-O 3.32Å; C1182-L1184 PolarHBondContact O-N 3.04Å; L1184-R1189 WeakPolarHBondContact CA-O 3.34Å; L1184-N1190 HydrophobicContact CD2-CB 3.73Å |
| 1185 | A | 88.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 171 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1100 M1153 R1188 R1189 M1194 | L1100-A1185 WeakPolarHBondContact O-CA 3.38Å; M1153-A1185 HydrophobicContact CE-CB 4.17Å; M1153-A1185 HydrophobicContact CG-CB 4.29Å; M1153-A1185 HydrophobicContact SD-CB 4.2Å; A1185-R1188 WeakPolarHBondContact O-CA 3.34Å; A1185-R1188 PolarHBondContact O-N 2.94Å; A1185-R1189 PolarHBondContact N-O 3.1Å; A1185-R1189 PolarHBondContact O-N 2.88Å; A1185-M1194 HydrophobicContact CB-CE 3.44Å; A1185-M1194 VanDerWaalsContact CB-CE 3.44Å |
| 1186 | D | 83.6 | Confident | 88.9 | Confident | 0.6 Ų | 0.6 | 26.7 Ų | 26.7 | 0% | 0.003 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 149.2 | -180 | 76.2 | -43.1 | 0 | 0 | 0 | 113.7 | V1077 S1097 L1098 D1099 L1100 R1188 R1189 | V1077-D1186 HydrophobicContact CB-CB 4.22Å; V1077-D1186 WeakPolarHBondContact O-CB 3.34Å; S1097-D1186 VanDerWaalsContact CA-OD2 3.29Å; S1097-D1186 WeakPolarHBondContact CA-OD2 3.29Å; S1097-D1186 VanDerWaalsContact CB-OD2 3.31Å; S1097-D1186 WeakPolarHBondContact CB-OD2 3.33Å; L1098-D1186 PolarHBondContact N-OD2 3.22Å; D1099-D1186 VanDerWaalsContact CA-OD1 3.28Å; D1099-D1186 WeakPolarHBondContact CA-OD1 3.41Å; D1099-D1186 PolarHBondContact N-OD1 3.12Å; D1099-D1186 PolarHBondContact N-OD2 3.04Å; L1100-D1186 HydrophobicContact CB-CB 4.28Å; L1100-D1186 VanDerWaalsContact N-CG 3.32Å; L1100-D1186 PolarHBondContact N-OD1 2.92Å; L1100-D1186 PolarHBondContact N-OD2 3.31Å; L1100-D1186 PolarHBondContact O-N 2.95Å; D1186-R1188 VanDerWaalsContact C-N 3.27Å; D1186-R1188 PolarHBondContact O-N 3.42Å; D1186-R1189 PolarHBondContact O-NE 3.1Å; D1186-R1189 PolarHBondContact O-NH2 2.89Å; D1186-R1189 IonicContact OD1-CZ 3.15Å; D1186-R1189 IonicContact OD1-NH2 3.38Å; D1186-R1189 PolarHBondContact OD1-NH2 3.14Å |
| 1187 | G | 80.6 | Confident | 89.4 | Confident | 5.2 Ų | 5.2 | 23.6 Ų | 23.6 | 5% | 0.054 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 18.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1077 R1189 N1366 T1367 | V1077-G1187 PolarHBondContact O-N 2.79Å; G1187-R1189 VanDerWaalsContact C-N 3.29Å; G1187-R1189 PolarHBondContact O-N 3.18Å; G1187-N1366 WeakPolarHBondContact O-CA 3.36Å; G1187-N1366 WeakPolarHBondContact O-CB 3.34Å; G1187-T1367 VanDerWaalsContact CA-OG1 3.25Å; G1187-T1367 WeakPolarHBondContact CA-OG1 3.36Å; G1187-T1367 PolarHBondContact O-N 3.23Å; G1187-T1367 PolarHBondContact O-OG1 3.12Å |
| 1188 | R | 86.7 | Confident | 89.8 | Confident | 40 Ų | 40 | 24.6 Ų | 24.6 | 15% | 0.151 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 38.5 | -176.8 | -68.2 | -172.5 | 167.3 | -165.8 | -2.4 | 113.7 | S1045 A1046 K1048 D1072 L1076 A1185 D1186 N1190 T1367 | S1045-R1188 PolarHBondContact O-NH1 3.32Å; A1046-R1188 VanDerWaalsContact O-CZ 3.3Å; A1046-R1188 PolarHBondContact O-NE 3.11Å; A1046-R1188 PolarHBondContact O-NH2 3.14Å; A1046-R1188 VanDerWaalsContact O-NH2 3.11Å; K1048-R1188 PolarHBondContact O-NH2 3.09Å; D1072-R1188 IonicContact OD2-CZ 2.95Å; D1072-R1188 VanDerWaalsContact OD2-CZ 3.23Å; D1072-R1188 IonicContact OD2-NE 3.44Å; D1072-R1188 PolarHBondContact OD2-NE 3.26Å; D1072-R1188 VanDerWaalsContact OD2-NE 3.12Å; D1072-R1188 IonicContact OD2-NH2 3.01Å; D1072-R1188 PolarHBondContact OD2-NH2 3.1Å; L1076-R1188 HydrophobicContact CD1-CB 4.48Å; L1076-R1188 HydrophobicContact CD1-CG 3.82Å; A1185-R1188 WeakPolarHBondContact O-CA 3.34Å; A1185-R1188 PolarHBondContact O-N 2.94Å; D1186-R1188 VanDerWaalsContact C-N 3.27Å; D1186-R1188 PolarHBondContact O-N 3.42Å; R1188-N1190 PolarHBondContact O-N 3.14Å; R1188-T1367 HydrophobicContact CB-CG2 4.33Å; R1188-T1367 HydrophobicContact CG-CG2 4.2Å |
| 1189 | R | 89.6 | Confident | 90.4 | Very high | 15.6 Ų | 15.6 | 20.3 Ų | 20.3 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.5 | 179.9 | -67.4 | -179.7 | -64.7 | 151 | 2.1 | 110.1 | S1097 D1099 L1184 A1185 D1186 G1187 H1193 S1197 N1366 | S1097-R1189 VanDerWaalsContact CB-CZ 3.4Å; S1097-R1189 PolarHBondContact OG-NE 3.03Å; D1099-R1189 VanDerWaalsContact CA-NH2 3.32Å; D1099-R1189 IonicContact OD1-CZ 3.16Å; D1099-R1189 VanDerWaalsContact OD1-CZ 3.23Å; D1099-R1189 IonicContact OD1-NH1 3.14Å; D1099-R1189 PolarHBondContact OD1-NH1 2.99Å; D1099-R1189 IonicContact OD1-NH2 3.34Å; D1099-R1189 PolarHBondContact OD1-NH2 3.15Å; L1184-R1189 WeakPolarHBondContact CA-O 3.34Å; A1185-R1189 PolarHBondContact N-O 3.1Å; A1185-R1189 PolarHBondContact O-N 2.88Å; D1186-R1189 PolarHBondContact O-NE 3.1Å; D1186-R1189 PolarHBondContact O-NH2 2.89Å; D1186-R1189 IonicContact OD1-CZ 3.15Å; D1186-R1189 IonicContact OD1-NH2 3.38Å; D1186-R1189 PolarHBondContact OD1-NH2 3.14Å; G1187-R1189 VanDerWaalsContact C-N 3.29Å; G1187-R1189 PolarHBondContact O-N 3.18Å; R1189-H1193 HydrophobicContact CB-CB 3.74Å; R1189-H1193 HydrophobicContact CG-CB 4.02Å; R1189-S1197 PolarHBondContact NH1-OG 3.39Å; R1189-N1366 HydrophobicContact CG-CB 4.34Å |
| 1190 | N | 93.3 | Very high | 90.7 | Very high | 4.8 Ų | 4.8 | 14.1 Ų | 14.1 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 177.4 | 171.3 | 71.9 | 18.8 | 0 | 0 | 0 | 112.1 | L1184 R1188 L1192 H1193 M1194 L1361 | L1184-N1190 HydrophobicContact CD2-CB 3.73Å; R1188-N1190 PolarHBondContact O-N 3.14Å; N1190-L1192 VanDerWaalsContact C-N 3.25Å; N1190-L1192 PolarHBondContact O-N 3.15Å; N1190-L1192 VanDerWaalsContact O-N 3.15Å; N1190-L1192 PolarHBondContact OD1-N 2.97Å; N1190-L1192 VanDerWaalsContact OD1-N 3.09Å; N1190-H1193 VanDerWaalsContact CG-ND1 3.27Å; N1190-H1193 PolarHBondContact ND2-ND1 3.41Å; N1190-H1193 PolarHBondContact O-N 3.09Å; N1190-H1193 VanDerWaalsContact O-N 3.11Å; N1190-H1193 PolarHBondContact OD1-N 3.22Å; N1190-H1193 PolarHBondContact OD1-ND1 3.05Å; N1190-M1194 PolarHBondContact O-N 2.96Å; N1190-L1361 HydrophobicContact CB-CD2 3.87Å; N1190-L1361 WeakPolarHBondContact ND2-CD2 3.38Å; N1190-L1361 PolarHBondContact ND2-O 3.02Å |
| 1191 | L | 95 | Very high | 90.9 | Very high | 0.2 Ų | 0.2 | 14 Ų | 14 | 0% | 0.001 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -47.7 | -42 | 178.7 | -61 | 175.2 | 0 | 0 | 0 | 113.7 | L1152 M1153 I1156 V1180 E1183 M1194 A1195 L1348 L1354 | L1152-L1191 HydrophobicContact CB-CD2 3.9Å; L1152-L1191 HydrophobicContact CD1-CD1 4.05Å; L1152-L1191 HydrophobicContact CD1-CD2 4.46Å; L1152-L1191 HydrophobicContact CD2-CD1 4.02Å; L1152-L1191 HydrophobicContact CD2-CD2 4.24Å; M1153-L1191 HydrophobicContact CB-CD2 4.41Å; M1153-L1191 HydrophobicContact CE-CD2 3.97Å; M1153-L1191 HydrophobicContact SD-CD2 4.43Å; I1156-L1191 HydrophobicContact CD1-CB 4.05Å; I1156-L1191 HydrophobicContact CD1-CD2 3.52Å; I1156-L1191 HydrophobicContact CD1-CG 4.37Å; V1180-L1191 HydrophobicContact CG1-CD1 4.37Å; V1180-L1191 WeakPolarHBondContact O-CD1 3.35Å; E1183-L1191 HydrophobicContact CB-CD2 3.92Å; E1183-L1191 HydrophobicContact CB-CG 4.34Å; L1191-M1194 PolarHBondContact O-N 3.28Å; L1191-A1195 WeakPolarHBondContact O-CB 3.36Å; L1191-A1195 PolarHBondContact O-N 3.14Å; L1191-L1348 HydrophobicContact CB-CD1 4.32Å; L1191-L1348 HydrophobicContact CB-CD2 4.33Å; L1191-L1348 HydrophobicContact CD1-CD2 4.18Å; L1191-L1354 HydrophobicContact CD1-CD1 4.32Å; L1191-L1354 HydrophobicContact CD1-CD2 4.48Å |
| 1192 | L | 95.6 | Very high | 91 | Very high | 1.4 Ų | 1.4 | 19.1 Ų | 19.1 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.3 | -43.6 | 179.7 | -63.9 | -174.3 | 0 | 0 | 0 | 112.2 | N1190 M1194 A1195 V1196 L1345 L1348 V1349 L1358 L1361 L1362 P1372 | N1190-L1192 VanDerWaalsContact C-N 3.25Å; N1190-L1192 PolarHBondContact O-N 3.15Å; N1190-L1192 VanDerWaalsContact O-N 3.15Å; N1190-L1192 PolarHBondContact OD1-N 2.97Å; N1190-L1192 VanDerWaalsContact OD1-N 3.09Å; L1192-M1194 VanDerWaalsContact C-N 3.26Å; L1192-M1194 PolarHBondContact O-N 3.17Å; L1192-A1195 PolarHBondContact O-N 3.02Å; L1192-V1196 VanDerWaalsContact O-CB 3.28Å; L1192-V1196 WeakPolarHBondContact O-CB 3.32Å; L1192-V1196 VanDerWaalsContact O-CG2 3.23Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.41Å; L1192-V1196 PolarHBondContact O-N 3.12Å; L1192-L1345 HydrophobicContact CD2-CD1 4.15Å; L1192-L1348 HydrophobicContact CD2-CB 3.85Å; L1192-L1348 HydrophobicContact CD2-CD1 4.35Å; L1192-V1349 HydrophobicContact CD2-CG2 4.27Å; L1192-L1358 HydrophobicContact CD1-CD1 4.06Å; L1192-L1361 HydrophobicContact CD1-CB 3.78Å; L1192-L1361 HydrophobicContact CG-CB 4.27Å; L1192-L1362 HydrophobicContact CD1-CD2 3.67Å; L1192-L1362 HydrophobicContact CD1-CG 3.93Å; L1192-P1372 HydrophobicContact CB-CB 4.03Å; L1192-P1372 HydrophobicContact CB-CG 3.87Å |
| 1193 | H | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.6 | -39 | 173.6 | -70 | 88.8 | 0 | 0 | 0 | 111.3 | R1189 N1190 V1196 S1197 A1364 L1370 P1372 L1375 | R1189-H1193 HydrophobicContact CB-CB 3.74Å; R1189-H1193 HydrophobicContact CG-CB 4.02Å; N1190-H1193 VanDerWaalsContact CG-ND1 3.27Å; N1190-H1193 PolarHBondContact ND2-ND1 3.41Å; N1190-H1193 PolarHBondContact O-N 3.09Å; N1190-H1193 VanDerWaalsContact O-N 3.11Å; N1190-H1193 PolarHBondContact OD1-N 3.22Å; N1190-H1193 PolarHBondContact OD1-ND1 3.05Å; H1193-V1196 PolarHBondContact O-N 3.25Å; H1193-S1197 WeakPolarHBondContact O-CB 3.21Å; H1193-S1197 PolarHBondContact O-N 3.13Å; H1193-S1197 PolarHBondContact O-OG 3.18Å; H1193-A1364 PolarHBondContact CE1-O 3.18Å; H1193-A1364 VanDerWaalsContact CE1-O 3.26Å; H1193-L1370 PolarHBondContact NE2-O 3.13Å; H1193-L1370 VanDerWaalsContact NE2-O 3.09Å; H1193-P1372 VanDerWaalsContact CE1-CD 3.49Å; H1193-P1372 WeakPolarHBondContact CE1-CD 3.34Å; H1193-L1375 HydrophobicContact CB-CD2 4.05Å |
| 1194 | M | 93.3 | Very high | 91 | Very high | 0.2 Ų | 0.2 | 18 Ų | 18 | 0% | 0.001 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.2 | -47.1 | 178.1 | -168.4 | 60.3 | 76.7 | 0 | 0 | 112.2 | D1099 M1153 I1156 L1157 A1185 N1190 L1191 L1192 V1196 S1197 M1198 | D1099-M1194 HydrophobicContact CB-CE 4.12Å; D1099-M1194 HydrophobicContact CB-SD 4.43Å; M1153-M1194 HydrophobicContact SD-CB 3.6Å; M1153-M1194 VanDerWaalsContact SD-CB 3.57Å; M1153-M1194 HydrophobicContact SD-CE 4.14Å; M1153-M1194 HydrophobicContact SD-CG 3.67Å; I1156-M1194 HydrophobicContact CB-CG 4.48Å; I1156-M1194 HydrophobicContact CG2-CB 4.16Å; I1156-M1194 HydrophobicContact CG2-CG 3.82Å; L1157-M1194 HydrophobicContact CD1-CE 4.19Å; L1157-M1194 HydrophobicContact CD1-SD 4.24Å; L1157-M1194 HydrophobicContact CD2-CE 3.89Å; L1157-M1194 HydrophobicContact CD2-CG 4Å; L1157-M1194 HydrophobicContact CD2-SD 3.4Å; L1157-M1194 WeakPolarHBondContact CD2-SD 3.33Å; L1157-M1194 HydrophobicContact CG-CE 4.12Å; L1157-M1194 HydrophobicContact CG-CG 4.13Å; L1157-M1194 HydrophobicContact CG-SD 4.11Å; A1185-M1194 HydrophobicContact CB-CE 3.44Å; A1185-M1194 VanDerWaalsContact CB-CE 3.44Å; N1190-M1194 PolarHBondContact O-N 2.96Å; L1191-M1194 PolarHBondContact O-N 3.28Å; L1192-M1194 VanDerWaalsContact C-N 3.26Å; L1192-M1194 PolarHBondContact O-N 3.17Å; M1194-V1196 VanDerWaalsContact C-N 3.28Å; M1194-V1196 PolarHBondContact O-N 3.17Å; M1194-S1197 WeakPolarHBondContact O-CB 3.43Å; M1194-S1197 PolarHBondContact O-N 2.91Å; M1194-M1198 WeakPolarHBondContact O-CB 3.48Å; M1194-M1198 VanDerWaalsContact O-CG 3.26Å; M1194-M1198 WeakPolarHBondContact O-CG 3.43Å; M1194-M1198 PolarHBondContact O-N 3.28Å |
| 1195 | A | 95.2 | Very high | 90.9 | Very high | 0.2 Ų | 0.2 | 22.4 Ų | 22.4 | 0% | 0.002 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1156 L1191 L1192 M1198 C1199 I1344 L1345 L1348 | I1156-A1195 HydrophobicContact CG2-CB 4.11Å; L1191-A1195 WeakPolarHBondContact O-CB 3.36Å; L1191-A1195 PolarHBondContact O-N 3.14Å; L1192-A1195 PolarHBondContact O-N 3.02Å; A1195-M1198 PolarHBondContact O-N 3.07Å; A1195-C1199 PolarHBondContact O-N 3.07Å; A1195-C1199 PolarHBondContact O-SG 3.17Å; A1195-C1199 VanDerWaalsContact O-SG 3.36Å; A1195-I1344 HydrophobicContact CB-CG2 4.22Å; A1195-L1345 HydrophobicContact CB-CB 4.11Å; A1195-L1345 HydrophobicContact CB-CD1 3.83Å; A1195-L1348 HydrophobicContact CB-CD1 3.73Å |
| 1196 | V | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 170.7 | 164.5 | 0 | 0 | 0 | 0 | 111.5 | L1192 H1193 M1194 M1198 C1199 L1345 P1372 L1375 A1376 I1379 V1384 L1388 | L1192-V1196 VanDerWaalsContact O-CB 3.28Å; L1192-V1196 WeakPolarHBondContact O-CB 3.32Å; L1192-V1196 VanDerWaalsContact O-CG2 3.23Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.41Å; L1192-V1196 PolarHBondContact O-N 3.12Å; H1193-V1196 PolarHBondContact O-N 3.25Å; M1194-V1196 VanDerWaalsContact C-N 3.28Å; M1194-V1196 PolarHBondContact O-N 3.17Å; V1196-M1198 VanDerWaalsContact C-N 3.29Å; V1196-M1198 PolarHBondContact O-N 3.04Å; V1196-C1199 WeakPolarHBondContact O-CB 3.33Å; V1196-C1199 PolarHBondContact O-N 3.26Å; V1196-L1345 HydrophobicContact CG2-CD1 4.02Å; V1196-L1345 HydrophobicContact CG2-CD2 4.47Å; V1196-P1372 HydrophobicContact CG2-CB 4.26Å; V1196-L1375 HydrophobicContact CG1-CB 4.35Å; V1196-L1375 HydrophobicContact CG1-CD2 4.21Å; V1196-L1375 HydrophobicContact CG1-CG 4.07Å; V1196-A1376 HydrophobicContact CG1-CB 3.65Å; V1196-A1376 HydrophobicContact CG2-CB 4.46Å; V1196-I1379 HydrophobicContact CG1-CD1 3.6Å; V1196-I1379 VanDerWaalsContact O-CD1 3.3Å; V1196-I1379 WeakPolarHBondContact O-CD1 3.35Å; V1196-V1384 HydrophobicContact CG2-CG1 3.93Å; V1196-L1388 HydrophobicContact CG2-CD1 3.79Å |
| 1197 | S | 92.9 | Very high | 91.2 | Very high | 30.4 Ų | 30.4 | 23.9 Ų | 23.9 | 21% | 0.213 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.8 | -43.6 | 177.1 | -61 | 0 | 0 | 0 | 0 | 111.7 | R1189 H1193 M1194 C1199 A1200 | R1189-S1197 PolarHBondContact NH1-OG 3.39Å; H1193-S1197 WeakPolarHBondContact O-CB 3.21Å; H1193-S1197 PolarHBondContact O-N 3.13Å; H1193-S1197 PolarHBondContact O-OG 3.18Å; M1194-S1197 WeakPolarHBondContact O-CB 3.43Å; M1194-S1197 PolarHBondContact O-N 2.91Å; S1197-C1199 PolarHBondContact O-N 3.2Å; S1197-C1199 VanDerWaalsContact O-N 3.15Å; S1197-A1200 WeakPolarHBondContact O-CB 3.38Å; S1197-A1200 PolarHBondContact O-N 3.21Å |
| 1198 | M | 90.9 | Very high | 91.7 | Very high | 32.4 Ų | 32.4 | 25.5 Ų | 25.5 | 16% | 0.16 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.9 | 178 | -65.6 | -58.1 | -60.5 | 0 | 0 | 114.5 | I1156 L1157 A1159 M1194 A1195 V1196 S1341 | I1156-M1198 HydrophobicContact CG2-CG 4.46Å; L1157-M1198 HydrophobicContact CD2-SD 4.24Å; L1157-M1198 VanDerWaalsContact O-CE 3.23Å; L1157-M1198 WeakPolarHBondContact O-CE 3.42Å; A1159-M1198 HydrophobicContact CB-CE 3.85Å; M1194-M1198 WeakPolarHBondContact O-CB 3.48Å; M1194-M1198 VanDerWaalsContact O-CG 3.26Å; M1194-M1198 WeakPolarHBondContact O-CG 3.43Å; M1194-M1198 PolarHBondContact O-N 3.28Å; A1195-M1198 PolarHBondContact O-N 3.07Å; V1196-M1198 VanDerWaalsContact C-N 3.29Å; V1196-M1198 PolarHBondContact O-N 3.04Å; M1198-S1341 VanDerWaalsContact O-CB 3.24Å; M1198-S1341 WeakPolarHBondContact O-CB 3.4Å; M1198-S1341 PolarHBondContact O-OG 3.15Å |
| 1199 | C | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.1 | 176.2 | -68 | 0 | 0 | 0 | 0 | 114.1 | A1195 V1196 S1197 R1338 S1341 Y1342 A1381 V1384 | A1195-C1199 PolarHBondContact O-N 3.07Å; A1195-C1199 PolarHBondContact O-SG 3.17Å; A1195-C1199 VanDerWaalsContact O-SG 3.36Å; V1196-C1199 WeakPolarHBondContact O-CB 3.33Å; V1196-C1199 PolarHBondContact O-N 3.26Å; S1197-C1199 PolarHBondContact O-N 3.2Å; S1197-C1199 VanDerWaalsContact O-N 3.15Å; C1199-R1338 PolarHBondContact O-NE 3.02Å; C1199-R1338 PolarHBondContact O-NH2 2.93Å; C1199-R1338 VanDerWaalsContact O-NH2 3.08Å; C1199-S1341 VanDerWaalsContact SG-C 3.58Å; C1199-S1341 VanDerWaalsContact SG-CB 3.59Å; C1199-Y1342 HydrophobicContact CB-CD2 3.97Å; C1199-Y1342 HydrophobicContact CB-CE2 3.72Å; C1199-Y1342 VanDerWaalsContact SG-CD2 3.54Å; C1199-Y1342 WeakPolarHBondContact SG-CD2 3.21Å; C1199-A1381 HydrophobicContact CB-CB 4.48Å; C1199-V1384 HydrophobicContact CB-CG2 3.84Å |
| 1200 | A | 92 | Very high | 92 | Very high | 18.2 Ų | 18.2 | 34 Ų | 34 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -60.7 | 140.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1197 Q1202 R1338 I1379 | S1197-A1200 WeakPolarHBondContact O-CB 3.38Å; S1197-A1200 PolarHBondContact O-N 3.21Å; A1200-Q1202 PolarHBondContact O-NE2 2.96Å; A1200-R1338 PolarHBondContact O-NE 2.97Å; A1200-R1338 PolarHBondContact O-NH2 3.43Å; A1200-I1379 HydrophobicContact CB-CB 4.08Å; A1200-I1379 HydrophobicContact CB-CD1 4.04Å; A1200-I1379 HydrophobicContact CB-CG1 4.02Å |
| 1201 | P | 92.3 | Very high | 92 | Very high | 10.6 Ų | 10.6 | 35.6 Ų | 35.6 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | trans | -70.5 | 134.9 | 168.9 | 29.9 | -31.6 | 0 | 0 | 0 | 110.6 | E1206 T1207 R1338 I1379 I1502 | P1201-E1206 WeakPolarHBondContact CA-OE2 3.31Å; P1201-E1206 HydrophobicContact CB-CB 4.49Å; P1201-T1207 HydrophobicContact CB-CG2 3.89Å; P1201-T1207 HydrophobicContact CG-CG2 4.34Å; P1201-R1338 VanDerWaalsContact CA-CZ 3.44Å; P1201-I1379 WeakPolarHBondContact CD-O 3.36Å; P1201-I1502 HydrophobicContact CB-CG2 3.98Å; P1201-I1502 HydrophobicContact CG-CG2 3.84Å | ||
| 1202 | Q | 87.8 | Confident | 91.9 | Very high | 113 Ų | 113 | 36.8 Ų | 36.8 | 53% | 0.528 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -99.4 | -15.1 | 177.3 | -60 | -154.3 | -28.3 | 0 | 0 | 113 | A1200 E1206 R1337 I1502 | A1200-Q1202 PolarHBondContact O-NE2 2.96Å; Q1202-E1206 VanDerWaalsContact C-OE1 3.31Å; Q1202-E1206 WeakPolarHBondContact CA-OE1 3.32Å; Q1202-E1206 WeakPolarHBondContact CB-OE1 3.47Å; Q1202-E1206 PolarHBondContact N-OE1 3.1Å; Q1202-E1206 PolarHBondContact N-OE2 3.04Å; Q1202-E1206 VanDerWaalsContact N-OE2 3.1Å; Q1202-R1337 VanDerWaalsContact OE1-CZ 3.32Å; Q1202-I1502 VanDerWaalsContact O-CD1 3.31Å; Q1202-I1502 WeakPolarHBondContact O-CD1 3.41Å |
| 1203 | S | 90 | Very high | 91.7 | Very high | 34.2 Ų | 34.2 | 40.5 Ų | 40.5 | 24% | 0.239 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -150.3 | 158.3 | 177 | 68 | 0 | 0 | 0 | 0 | 111.9 | K1205 E1206 | S1203-K1205 PolarHBondContact O-N 3.1Å; S1203-E1206 VanDerWaalsContact CB-OE1 3.3Å; S1203-E1206 WeakPolarHBondContact CB-OE1 3.38Å; S1203-E1206 PolarHBondContact N-OE1 3.11Å; S1203-E1206 WeakPolarHBondContact O-CB 3.39Å; S1203-E1206 PolarHBondContact O-N 3.24Å; S1203-E1206 VanDerWaalsContact O-N 3.16Å; S1203-E1206 WeakPolarHBondContact OG-CG 3.41Å; S1203-E1206 PolarHBondContact OG-OE1 3.17Å |
| 1204 | N | 90.4 | Very high | 91.7 | Very high | 26.8 Ų | 26.8 | 44.9 Ų | 44.9 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64.1 | -25.3 | 175.6 | -72.3 | -52.8 | 0 | 0 | 0 | 112.8 | E1206 T1207 L1501 I1502 S1503 L1601 | N1204-E1206 VanDerWaalsContact C-N 3.25Å; N1204-E1206 PolarHBondContact O-N 3.1Å; N1204-T1207 WeakPolarHBondContact O-CA 3.26Å; N1204-T1207 WeakPolarHBondContact O-CB 3.37Å; N1204-T1207 PolarHBondContact O-N 3.04Å; N1204-T1207 PolarHBondContact O-OG1 3.12Å; N1204-L1501 PolarHBondContact ND2-O 3.26Å; N1204-I1502 WeakPolarHBondContact OD1-CA 3.37Å; N1204-S1503 WeakPolarHBondContact OD1-CB 3.42Å; N1204-S1503 PolarHBondContact OD1-N 3.11Å; N1204-S1503 PolarHBondContact OD1-OG 3.07Å; N1204-L1601 HydrophobicContact CB-CD2 4.23Å |
| 1205 | K | 88 | Confident | 91.7 | Very high | 137.4 Ų | 137.4 | 44.9 Ų | 44.9 | 60% | 0.597 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61 | -32.1 | 176.6 | -82.4 | 162.5 | -179.2 | 129.6 | 0 | 111.9 | S1203 T1207 S1208 D1598 | S1203-K1205 PolarHBondContact O-N 3.1Å; K1205-T1207 VanDerWaalsContact C-N 3.31Å; K1205-T1207 PolarHBondContact O-N 3.1Å; K1205-S1208 WeakPolarHBondContact O-CB 3.38Å; K1205-S1208 PolarHBondContact O-N 3.14Å; K1205-S1208 PolarHBondContact O-OG 2.93Å; K1205-D1598 IonicContact NZ-OD1 3.19Å; K1205-D1598 PolarHBondContact NZ-OD1 3.2Å; K1205-D1598 IonicContact NZ-OD2 3.49Å; K1205-D1598 PolarHBondContact NZ-OD2 3.15Å |
| 1206 | E | 89.4 | Confident | 91.4 | Very high | 8.6 Ų | 8.6 | 47.6 Ų | 47.6 | 4% | 0.04 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -80.2 | -4.9 | 174.9 | -56.5 | 154.1 | -125.7 | 0 | 0 | 114.3 | P1201 Q1202 S1203 N1204 W1211 E1334 R1338 F1505 | P1201-E1206 WeakPolarHBondContact CA-OE2 3.31Å; P1201-E1206 HydrophobicContact CB-CB 4.49Å; Q1202-E1206 VanDerWaalsContact C-OE1 3.31Å; Q1202-E1206 WeakPolarHBondContact CA-OE1 3.32Å; Q1202-E1206 WeakPolarHBondContact CB-OE1 3.47Å; Q1202-E1206 PolarHBondContact N-OE1 3.1Å; Q1202-E1206 PolarHBondContact N-OE2 3.04Å; Q1202-E1206 VanDerWaalsContact N-OE2 3.1Å; S1203-E1206 VanDerWaalsContact CB-OE1 3.3Å; S1203-E1206 WeakPolarHBondContact CB-OE1 3.38Å; S1203-E1206 PolarHBondContact N-OE1 3.11Å; S1203-E1206 WeakPolarHBondContact O-CB 3.39Å; S1203-E1206 PolarHBondContact O-N 3.24Å; S1203-E1206 VanDerWaalsContact O-N 3.16Å; S1203-E1206 WeakPolarHBondContact OG-CG 3.41Å; S1203-E1206 PolarHBondContact OG-OE1 3.17Å; N1204-E1206 VanDerWaalsContact C-N 3.25Å; N1204-E1206 PolarHBondContact O-N 3.1Å; E1206-W1211 HydrophobicContact CB-CD2 4.06Å; E1206-W1211 HydrophobicContact CB-CE3 3.84Å; E1206-W1211 HydrophobicContact CB-CH2 4.29Å; E1206-W1211 HydrophobicContact CB-CZ2 4.42Å; E1206-W1211 HydrophobicContact CB-CZ3 3.97Å; E1206-W1211 HydrophobicContact CG-CD2 4.41Å; E1206-W1211 HydrophobicContact CG-CE3 4.14Å; E1206-W1211 HydrophobicContact CG-CH2 3.67Å; E1206-W1211 HydrophobicContact CG-CZ2 3.97Å; E1206-W1211 HydrophobicContact CG-CZ3 3.75Å; E1206-W1211 VanDerWaalsContact O-CB 3.27Å; E1206-W1211 WeakPolarHBondContact O-CB 3.43Å; E1206-E1334 HydrophobicContact CG-CG 4.1Å; E1206-R1338 VanDerWaalsContact CB-NH1 3.35Å; E1206-R1338 PolarHBondContact O-NH1 3.16Å; E1206-R1338 IonicContact OE2-CZ 3.5Å; E1206-R1338 IonicContact OE2-NE 2.8Å; E1206-R1338 IonicContact OE2-NH1 3.45Å; E1206-R1338 PolarHBondContact OE2-NH1 3.26Å; E1206-R1338 IonicContact OE2-NH2 3.35Å; E1206-R1338 PolarHBondContact OE2-NH2 3.11Å; E1206-F1505 WeakPolarHBondContact O-CE1 3.33Å; E1206-F1505 WeakPolarHBondContact O-CZ 3.38Å |
| 1207 | T | 89.3 | Confident | 91.2 | Very high | 23.4 Ų | 23.4 | 51.1 Ų | 51.1 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -97 | 2.5 | 178.1 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | P1201 N1204 K1205 I1502 S1503 F1505 | P1201-T1207 HydrophobicContact CB-CG2 3.89Å; P1201-T1207 HydrophobicContact CG-CG2 4.34Å; N1204-T1207 WeakPolarHBondContact O-CA 3.26Å; N1204-T1207 WeakPolarHBondContact O-CB 3.37Å; N1204-T1207 PolarHBondContact O-N 3.04Å; N1204-T1207 PolarHBondContact O-OG1 3.12Å; K1205-T1207 VanDerWaalsContact C-N 3.31Å; K1205-T1207 PolarHBondContact O-N 3.1Å; T1207-I1502 HydrophobicContact CG2-CG2 4.29Å; T1207-S1503 PolarHBondContact OG1-OG 3.26Å; T1207-F1505 VanDerWaalsContact C-CE1 3.46Å; T1207-F1505 VanDerWaalsContact CA-CE1 3.49Å; T1207-F1505 VanDerWaalsContact O-CD1 3.25Å; T1207-F1505 WeakPolarHBondContact O-CD1 3.33Å; T1207-F1505 WeakPolarHBondContact O-CE1 3.38Å |
| 1208 | S | 90.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -67.5 | 152.8 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | K1205 E1210 W1211 L1212 | K1205-S1208 WeakPolarHBondContact O-CB 3.38Å; K1205-S1208 PolarHBondContact O-N 3.14Å; K1205-S1208 PolarHBondContact O-OG 2.93Å; S1208-E1210 PolarHBondContact O-N 3.14Å; S1208-E1210 VanDerWaalsContact O-N 3.16Å; S1208-W1211 WeakPolarHBondContact O-CB 3.32Å; S1208-W1211 PolarHBondContact O-N 3.19Å; S1208-L1212 PolarHBondContact O-N 2.9Å |
| 1209 | P | 90.4 | Very high | 91.1 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 68% | 0.675 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.5 | -26.4 | -177.2 | 23.4 | -34.1 | 0 | 0 | 0 | 113.6 | W1211 L1212 S1213 | P1209-W1211 VanDerWaalsContact C-N 3.3Å; P1209-W1211 PolarHBondContact O-N 3.04Å; P1209-L1212 PolarHBondContact O-N 3.1Å; P1209-S1213 WeakPolarHBondContact O-CB 3.39Å; P1209-S1213 PolarHBondContact O-N 3.25Å; P1209-S1213 VanDerWaalsContact O-N 3.1Å; P1209-S1213 PolarHBondContact O-OG 3.09Å |
| 1210 | E | 91.9 | Very high | 90.4 | Very high | 130.8 Ų | 130.8 | 54 Ų | 54 | 61% | 0.611 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.1 | -25.5 | 173.2 | -68.3 | -169.7 | -156.6 | 0 | 0 | 114.2 | S1208 S1213 K1214 | S1208-E1210 PolarHBondContact O-N 3.14Å; S1208-E1210 VanDerWaalsContact O-N 3.16Å; E1210-S1213 PolarHBondContact O-OG 2.94Å; E1210-K1214 VanDerWaalsContact O-CD 3.24Å; E1210-K1214 WeakPolarHBondContact O-CD 3.35Å; E1210-K1214 VanDerWaalsContact O-CE 3.32Å; E1210-K1214 WeakPolarHBondContact O-CE 3.29Å; E1210-K1214 VanDerWaalsContact O-CG 3.3Å; E1210-K1214 WeakPolarHBondContact O-CG 3.32Å; E1210-K1214 PolarHBondContact O-NZ 3.33Å; E1210-K1214 IonicContact OE2-NZ 3.23Å; E1210-K1214 PolarHBondContact OE2-NZ 3.16Å; E1210-K1214 VanDerWaalsContact OE2-NZ 3.14Å |
| 1211 | W | 93.1 | Very high | 89.2 | Confident | 37.4 Ų | 37.4 | 55.9 Ų | 55.9 | 14% | 0.142 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -83.2 | -42.9 | 174.4 | -79 | 63.5 | 0 | 0 | 0 | 110.6 | E1206 S1208 P1209 S1213 K1214 L1215 E1334 L1335 R1338 F1505 | E1206-W1211 HydrophobicContact CB-CD2 4.06Å; E1206-W1211 HydrophobicContact CB-CE3 3.84Å; E1206-W1211 HydrophobicContact CB-CH2 4.29Å; E1206-W1211 HydrophobicContact CB-CZ2 4.42Å; E1206-W1211 HydrophobicContact CB-CZ3 3.97Å; E1206-W1211 HydrophobicContact CG-CD2 4.41Å; E1206-W1211 HydrophobicContact CG-CE3 4.14Å; E1206-W1211 HydrophobicContact CG-CH2 3.67Å; E1206-W1211 HydrophobicContact CG-CZ2 3.97Å; E1206-W1211 HydrophobicContact CG-CZ3 3.75Å; E1206-W1211 VanDerWaalsContact O-CB 3.27Å; E1206-W1211 WeakPolarHBondContact O-CB 3.43Å; S1208-W1211 WeakPolarHBondContact O-CB 3.32Å; S1208-W1211 PolarHBondContact O-N 3.19Å; P1209-W1211 VanDerWaalsContact C-N 3.3Å; P1209-W1211 PolarHBondContact O-N 3.04Å; W1211-S1213 VanDerWaalsContact C-N 3.33Å; W1211-S1213 PolarHBondContact O-N 2.99Å; W1211-K1214 PolarHBondContact O-N 3.19Å; W1211-K1214 VanDerWaalsContact O-N 3.12Å; W1211-L1215 HydrophobicContact CB-CD1 4.45Å; W1211-L1215 HydrophobicContact CE3-CD1 4.29Å; W1211-L1215 WeakPolarHBondContact O-CB 3.32Å; W1211-L1215 WeakPolarHBondContact O-CG 3.39Å; W1211-L1215 PolarHBondContact O-N 3.18Å; W1211-E1334 HydrophobicContact CH2-CB 3.92Å; W1211-E1334 HydrophobicContact CH2-CG 3.81Å; W1211-E1334 HydrophobicContact CZ3-CG 4.26Å; W1211-L1335 HydrophobicContact CD2-CD1 3.84Å; W1211-L1335 HydrophobicContact CE3-CB 4.46Å; W1211-L1335 HydrophobicContact CE3-CD1 3.63Å; W1211-L1335 HydrophobicContact CG-CD1 4.43Å; W1211-L1335 VanDerWaalsContact CH2-CA 3.43Å; W1211-L1335 HydrophobicContact CH2-CB 3.59Å; W1211-L1335 HydrophobicContact CH2-CD1 4.3Å; W1211-L1335 HydrophobicContact CH2-CG 4.45Å; W1211-L1335 VanDerWaalsContact CH2-N 3.31Å; W1211-L1335 HydrophobicContact CZ2-CB 3.88Å; W1211-L1335 HydrophobicContact CZ2-CD1 4.42Å; W1211-L1335 VanDerWaalsContact CZ3-CA 3.48Å; W1211-L1335 HydrophobicContact CZ3-CB 3.93Å; W1211-L1335 HydrophobicContact CZ3-CD1 3.88Å; W1211-L1335 HydrophobicContact CZ3-CG 4.48Å; W1211-R1338 HydrophobicContact CZ3-CB 4.32Å; W1211-F1505 HydrophobicContact CB-CE1 4.11Å; W1211-F1505 HydrophobicContact CB-CZ 3.94Å |
| 1212 | L | 91.8 | Very high | 87.6 | Confident | 25.8 Ų | 25.8 | 59.9 Ų | 59.9 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 177.6 | -175.3 | 59.2 | 0 | 0 | 0 | 111.3 | S1208 P1209 K1214 L1215 E1216 F1505 P1508 | S1208-L1212 PolarHBondContact O-N 2.9Å; P1209-L1212 PolarHBondContact O-N 3.1Å; L1212-K1214 PolarHBondContact O-N 3.07Å; L1212-K1214 VanDerWaalsContact O-N 3.12Å; L1212-L1215 PolarHBondContact O-N 3.01Å; L1212-L1215 VanDerWaalsContact O-N 3.16Å; L1212-E1216 HydrophobicContact CD1-CB 4.27Å; L1212-E1216 VanDerWaalsContact O-CB 3.3Å; L1212-E1216 WeakPolarHBondContact O-CB 3.37Å; L1212-E1216 PolarHBondContact O-N 2.99Å; L1212-F1505 HydrophobicContact CB-CD1 3.88Å; L1212-F1505 HydrophobicContact CB-CE1 3.75Å; L1212-F1505 HydrophobicContact CB-CZ 4.33Å; L1212-F1505 HydrophobicContact CD1-CB 4.45Å; L1212-F1505 HydrophobicContact CD1-CD1 4.26Å; L1212-F1505 HydrophobicContact CD1-CD2 4.22Å; L1212-F1505 HydrophobicContact CD1-CE2 4.43Å; L1212-F1505 HydrophobicContact CD1-CG 4.09Å; L1212-F1505 HydrophobicContact CD2-CD1 4.44Å; L1212-F1505 HydrophobicContact CG-CD1 4.44Å; L1212-P1508 HydrophobicContact CD1-CG 3.97Å; L1212-P1508 HydrophobicContact CD2-CG 4.33Å |
| 1213 | S | 92.4 | Very high | 86.3 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 56% | 0.559 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.1 | -18.5 | 178.5 | 17.7 | 0 | 0 | 0 | 0 | 114.9 | P1209 E1210 W1211 P1217 | P1209-S1213 WeakPolarHBondContact O-CB 3.39Å; P1209-S1213 PolarHBondContact O-N 3.25Å; P1209-S1213 VanDerWaalsContact O-N 3.1Å; P1209-S1213 PolarHBondContact O-OG 3.09Å; E1210-S1213 PolarHBondContact O-OG 2.94Å; W1211-S1213 VanDerWaalsContact C-N 3.33Å; W1211-S1213 PolarHBondContact O-N 2.99Å; S1213-P1217 WeakPolarHBondContact O-CD 3.43Å; S1213-P1217 WeakPolarHBondContact O-CG 3.36Å |
| 1214 | K | 93 | Very high | 84.7 | Confident | 91.6 Ų | 91.6 | 59.1 Ų | 59.1 | 40% | 0.398 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -100 | -27.8 | 177.4 | -62.1 | 170.9 | -164.7 | 151.7 | 0 | 112.5 | E1210 W1211 L1212 L1335 | E1210-K1214 VanDerWaalsContact O-CD 3.24Å; E1210-K1214 WeakPolarHBondContact O-CD 3.35Å; E1210-K1214 VanDerWaalsContact O-CE 3.32Å; E1210-K1214 WeakPolarHBondContact O-CE 3.29Å; E1210-K1214 VanDerWaalsContact O-CG 3.3Å; E1210-K1214 WeakPolarHBondContact O-CG 3.32Å; E1210-K1214 PolarHBondContact O-NZ 3.33Å; E1210-K1214 IonicContact OE2-NZ 3.23Å; E1210-K1214 PolarHBondContact OE2-NZ 3.16Å; E1210-K1214 VanDerWaalsContact OE2-NZ 3.14Å; W1211-K1214 PolarHBondContact O-N 3.19Å; W1211-K1214 VanDerWaalsContact O-N 3.12Å; L1212-K1214 PolarHBondContact O-N 3.07Å; L1212-K1214 VanDerWaalsContact O-N 3.12Å; K1214-L1335 HydrophobicContact CB-CD1 4.41Å; K1214-L1335 HydrophobicContact CD-CD1 4.39Å; K1214-L1335 HydrophobicContact CD-CD2 3.75Å |
| 1215 | L | 93.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -88.8 | -39.1 | -178.8 | -72.2 | 171.3 | 0 | 0 | 0 | 113.3 | W1211 L1212 V1218 R1338 I1339 Y1342 F1505 | W1211-L1215 HydrophobicContact CB-CD1 4.45Å; W1211-L1215 HydrophobicContact CE3-CD1 4.29Å; W1211-L1215 WeakPolarHBondContact O-CB 3.32Å; W1211-L1215 WeakPolarHBondContact O-CG 3.39Å; W1211-L1215 PolarHBondContact O-N 3.18Å; L1212-L1215 PolarHBondContact O-N 3.01Å; L1212-L1215 VanDerWaalsContact O-N 3.16Å; L1215-V1218 WeakPolarHBondContact O-CB 3.25Å; L1215-V1218 WeakPolarHBondContact O-CG2 3.33Å; L1215-V1218 PolarHBondContact O-N 3.06Å; L1215-R1338 HydrophobicContact CD1-CG 4.31Å; L1215-R1338 HydrophobicContact CD2-CB 4.32Å; L1215-R1338 HydrophobicContact CD2-CG 4.16Å; L1215-I1339 HydrophobicContact CD2-CB 4.38Å; L1215-I1339 HydrophobicContact CD2-CG1 3.68Å; L1215-Y1342 HydrophobicContact CB-CD1 3.99Å; L1215-Y1342 HydrophobicContact CB-CE1 3.71Å; L1215-Y1342 HydrophobicContact CD1-CE1 4.46Å; L1215-Y1342 HydrophobicContact CD1-CE2 4.43Å; L1215-Y1342 HydrophobicContact CD2-CD1 4.15Å; L1215-Y1342 HydrophobicContact CD2-CD2 4.11Å; L1215-Y1342 HydrophobicContact CD2-CE1 4.31Å; L1215-Y1342 HydrophobicContact CD2-CE2 4.26Å; L1215-Y1342 HydrophobicContact CD2-CG 4.08Å; L1215-Y1342 HydrophobicContact CG-CE1 4.39Å; L1215-Y1342 WeakPolarHBondContact O-CD1 3.36Å; L1215-F1505 HydrophobicContact CD1-CE2 3.98Å; L1215-F1505 HydrophobicContact CD1-CZ 3.9Å |
| 1216 | E | 89.9 | Confident | 79.9 | Confident | 56.8 Ų | 56.8 | 66.7 Ų | 66.7 | 27% | 0.265 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | -178.2 | -177.5 | 163.8 | -160.5 | 0 | 0 | 113.8 | L1212 V1218 L1219 T1220 R1386 | L1212-E1216 HydrophobicContact CD1-CB 4.27Å; L1212-E1216 VanDerWaalsContact O-CB 3.3Å; L1212-E1216 WeakPolarHBondContact O-CB 3.37Å; L1212-E1216 PolarHBondContact O-N 2.99Å; E1216-V1218 PolarHBondContact O-N 3.01Å; E1216-V1218 VanDerWaalsContact O-N 3.09Å; E1216-L1219 PolarHBondContact O-N 3.15Å; E1216-L1219 VanDerWaalsContact O-N 3.11Å; E1216-T1220 HydrophobicContact CG-CG2 3.68Å; E1216-T1220 WeakPolarHBondContact O-CG2 3.39Å; E1216-T1220 PolarHBondContact O-N 2.91Å; E1216-T1220 PolarHBondContact O-OG1 3.35Å; E1216-R1386 IonicContact OE1-CZ 3.05Å; E1216-R1386 VanDerWaalsContact OE1-CZ 3.25Å; E1216-R1386 IonicContact OE1-NH1 3.51Å; E1216-R1386 PolarHBondContact OE1-NH1 3.12Å; E1216-R1386 IonicContact OE1-NH2 3.11Å; E1216-R1386 PolarHBondContact OE1-NH2 3.25Å |
| 1217 | P | 92 | Very high | 77.2 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.8 | -22.9 | 176.2 | -27.9 | 37 | 0 | 0 | 0 | 115.2 | S1213 L1219 T1220 | S1213-P1217 WeakPolarHBondContact O-CD 3.43Å; S1213-P1217 WeakPolarHBondContact O-CG 3.36Å; P1217-L1219 VanDerWaalsContact C-N 3.3Å; P1217-L1219 PolarHBondContact O-N 3.14Å; P1217-T1220 WeakPolarHBondContact CA-OG1 3.41Å; P1217-T1220 PolarHBondContact O-OG1 3.1Å |
| 1218 | V | 91.8 | Very high | 74.4 | Confident | 29.8 Ų | 29.8 | 80.4 Ų | 80.4 | 18% | 0.181 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68.9 | -31.9 | 177.9 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | L1215 E1216 I1339 R1343 R1346 | L1215-V1218 WeakPolarHBondContact O-CB 3.25Å; L1215-V1218 WeakPolarHBondContact O-CG2 3.33Å; L1215-V1218 PolarHBondContact O-N 3.06Å; E1216-V1218 PolarHBondContact O-N 3.01Å; E1216-V1218 VanDerWaalsContact O-N 3.09Å; V1218-I1339 HydrophobicContact CG2-CG2 4.26Å; V1218-R1343 HydrophobicContact CG1-CB 4.02Å; V1218-R1346 VanDerWaalsContact O-CD 3.26Å; V1218-R1346 WeakPolarHBondContact O-CD 3.3Å; V1218-R1346 PolarHBondContact O-NH1 3.2Å |
| 1219 | L | 90.2 | Very high | 71.7 | Confident | 12.6 Ų | 12.6 | 86.4 Ų | 86.4 | 7% | 0.066 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -100.4 | -18 | -174.2 | -60.7 | 178.4 | 0 | 0 | 0 | 113.9 | E1216 P1217 S1221 Y1342 R1346 V1384 F1387 | E1216-L1219 PolarHBondContact O-N 3.15Å; E1216-L1219 VanDerWaalsContact O-N 3.11Å; P1217-L1219 VanDerWaalsContact C-N 3.3Å; P1217-L1219 PolarHBondContact O-N 3.14Å; L1219-S1221 PolarHBondContact O-N 3.06Å; L1219-Y1342 HydrophobicContact CD1-CD1 3.53Å; L1219-Y1342 VanDerWaalsContact CD1-CD1 3.49Å; L1219-Y1342 HydrophobicContact CD1-CE1 3.69Å; L1219-Y1342 HydrophobicContact CD1-CG 4.43Å; L1219-Y1342 HydrophobicContact CD2-CD1 4.36Å; L1219-Y1342 HydrophobicContact CG-CD1 3.8Å; L1219-Y1342 HydrophobicContact CG-CE1 4.42Å; L1219-R1346 HydrophobicContact CD2-CB 4.36Å; L1219-R1346 PolarHBondContact O-NH1 3.38Å; L1219-V1384 HydrophobicContact CD1-CG2 4.15Å; L1219-F1387 HydrophobicContact CB-CB 4.36Å; L1219-F1387 HydrophobicContact CB-CD2 3.93Å; L1219-F1387 HydrophobicContact CB-CG 4.27Å; L1219-F1387 HydrophobicContact CD1-CB 4Å; L1219-F1387 HydrophobicContact CD1-CG 4.4Å; L1219-F1387 HydrophobicContact CD2-CB 4.48Å; L1219-F1387 HydrophobicContact CD2-CD1 4.16Å; L1219-F1387 HydrophobicContact CD2-CD2 4.16Å; L1219-F1387 HydrophobicContact CD2-CE1 4.44Å; L1219-F1387 HydrophobicContact CD2-CE2 4.42Å; L1219-F1387 HydrophobicContact CD2-CG 4.02Å; L1219-F1387 HydrophobicContact CG-CB 4.49Å; L1219-F1387 HydrophobicContact CG-CD2 4.48Å; L1219-F1387 HydrophobicContact CG-CG 4.45Å; L1219-F1387 WeakPolarHBondContact O-CD2 3.27Å |
| 1220 | T | 79 | Confident | 68.9 | Low | 81.8 Ų | 81.8 | 87.8 Ų | 87.8 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | trans | -86.3 | -7.4 | -168.3 | 47.2 | 0 | 0 | 0 | 0 | 116.6 | E1216 P1217 | E1216-T1220 HydrophobicContact CG-CG2 3.68Å; E1216-T1220 WeakPolarHBondContact O-CG2 3.39Å; E1216-T1220 PolarHBondContact O-N 2.91Å; E1216-T1220 PolarHBondContact O-OG1 3.35Å; P1217-T1220 WeakPolarHBondContact CA-OG1 3.41Å; P1217-T1220 PolarHBondContact O-OG1 3.1Å | ||
| 1221 | S | 65.8 | Low | 66.1 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -73.9 | 145 | 176 | -18.6 | 0 | 0 | 0 | 0 | 110.9 | L1219 I1223 R1346 | L1219-S1221 PolarHBondContact O-N 3.06Å; S1221-I1223 PolarHBondContact O-N 2.91Å; S1221-R1346 VanDerWaalsContact CB-NH1 3.34Å; S1221-R1346 PolarHBondContact O-NH1 3.02Å; S1221-R1346 PolarHBondContact O-NH2 2.89Å; S1221-R1346 PolarHBondContact OG-NH1 3.13Å |
| 1222 | P | 59.8 | Low | 63.3 | Low | 94.2 Ų | 94.2 | 92.7 Ų | 92.7 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | trans | -63.6 | 131.6 | -170 | 15.9 | -23 | 0 | 0 | 0 | 113.4 | ||||
| 1223 | I | 60.4 | Low | 60.6 | Low | 35.2 Ų | 35.2 | 100.6 Ų | 100.6 | 18% | 0.181 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -72.4 | -47.8 | -177.6 | -49.2 | 176.8 | 0 | 0 | 0 | 110.6 | S1221 V1349 E1350 F1387 T1391 | S1221-I1223 PolarHBondContact O-N 2.91Å; I1223-V1349 HydrophobicContact CG2-CG1 4.31Å; I1223-E1350 HydrophobicContact CG2-CG 4.16Å; I1223-F1387 HydrophobicContact CD1-CD2 4.39Å; I1223-F1387 HydrophobicContact CD1-CE2 3.76Å; I1223-F1387 HydrophobicContact CD1-CZ 4.2Å; I1223-F1387 HydrophobicContact CG1-CE2 4.1Å; I1223-T1391 WeakPolarHBondContact CD1-OG1 3.33Å |
| 1224 | F | 55.6 | Low | 57.8 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | trans | -120.8 | 109.2 | 179.6 | -57.6 | -72.5 | 0 | 0 | 0 | 112.7 | I1355 C1394 | F1224-I1355 HydrophobicContact CE1-CD1 4.11Å; F1224-I1355 HydrophobicContact CE1-CG1 4.43Å; F1224-C1394 HydrophobicContact CD2-CB 4.37Å; F1224-C1394 HydrophobicContact CE2-CB 4.24Å | ||
| 1225 | R | 45.1 | Very low | 55.2 | Low | 205.8 Ų | 205.8 | 105.7 Ų | 105.7 | 78% | 0.777 | 55% | 0.55 | S | S | * | . | trans | -95.2 | 125.7 | 161.2 | -72.8 | -175.7 | 177.9 | 174.6 | 0.7 | 109 | T1227 | R1225-T1227 PolarHBondContact O-N 3.37Å; R1225-T1227 VanDerWaalsContact O-N 3.12Å; R1225-T1227 PolarHBondContact O-OG1 2.85Å | ||
| 1226 | P | 33.7 | Very low | 52.5 | Low | 118.2 Ų | 118.2 | 114.6 Ų | 114.6 | 77% | 0.768 | 59% | 0.588 | S | S | * | * | trans | -67.5 | 110.3 | 169.4 | 27.9 | -32.5 | 0 | 0 | 0 | 109 | F1228 | P1226-F1228 VanDerWaalsContact C-N 3.3Å; P1226-F1228 HydrophobicContact CB-CD2 4.44Å; P1226-F1228 PolarHBondContact O-N 3.04Å; P1226-F1228 VanDerWaalsContact O-N 3.16Å | ||
| 1227 | T | 31.1 | Very low | 49.8 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | trans | -83 | 67.2 | 180 | 32.8 | 0 | 0 | 0 | 0 | 111.2 | R1225 E1229 | R1225-T1227 PolarHBondContact O-N 3.37Å; R1225-T1227 VanDerWaalsContact O-N 3.12Å; R1225-T1227 PolarHBondContact O-OG1 2.85Å; T1227-E1229 PolarHBondContact O-N 3.14Å; T1227-E1229 VanDerWaalsContact O-N 3.07Å | ||
| 1228 | F | 31.5 | Very low | 47.1 | Very low | 196.8 Ų | 196.8 | 121.4 Ų | 121.4 | 86% | 0.863 | 63% | 0.63 | S | S | * | * | trans | -96 | 92.6 | 166.4 | -90.5 | -82.3 | 0 | 0 | 0 | 110.1 | P1226 D1230 | P1226-F1228 VanDerWaalsContact C-N 3.3Å; P1226-F1228 HydrophobicContact CB-CD2 4.44Å; P1226-F1228 PolarHBondContact O-N 3.04Å; P1226-F1228 VanDerWaalsContact O-N 3.16Å; F1228-D1230 VanDerWaalsContact C-N 3.32Å; F1228-D1230 PolarHBondContact O-N 3.26Å; F1228-D1230 VanDerWaalsContact O-N 3.12Å | ||
| 1229 | E | 33.1 | Very low | 44.2 | Very low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 66% | 0.659 | S | S | * | * | trans | -94 | 113.8 | 159.2 | -74.5 | -162.9 | 129.2 | 0 | 0 | 109.8 | T1227 K1231 | T1227-E1229 PolarHBondContact O-N 3.14Å; T1227-E1229 VanDerWaalsContact O-N 3.07Å; E1229-K1231 VanDerWaalsContact C-N 3.31Å; E1229-K1231 HydrophobicContact CB-CD 4.39Å; E1229-K1231 HydrophobicContact CB-CG 4.36Å; E1229-K1231 VanDerWaalsContact CD-CE 3.44Å; E1229-K1231 PolarHBondContact O-N 2.89Å; E1229-K1231 VanDerWaalsContact OE1-CE 3.24Å; E1229-K1231 WeakPolarHBondContact OE1-CE 3.43Å; E1229-K1231 IonicContact OE1-NZ 2.75Å; E1229-K1231 PolarHBondContact OE1-NZ 3.28Å; E1229-K1231 WeakPolarHBondContact OE2-CE 3.22Å; E1229-K1231 IonicContact OE2-NZ 2.74Å; E1229-K1231 PolarHBondContact OE2-NZ 3.08Å | ||
| 1230 | D | 31.4 | Very low | 41.5 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | -84.6 | 113.6 | 177.7 | -171.4 | -6 | 0 | 0 | 0 | 111.2 | F1228 T1232 | F1228-D1230 VanDerWaalsContact C-N 3.32Å; F1228-D1230 PolarHBondContact O-N 3.26Å; F1228-D1230 VanDerWaalsContact O-N 3.12Å; D1230-T1232 VanDerWaalsContact C-N 3.29Å; D1230-T1232 PolarHBondContact O-N 2.98Å; D1230-T1232 VanDerWaalsContact O-N 3.12Å; D1230-T1232 WeakPolarHBondContact OD1-CB 3.34Å; D1230-T1232 VanDerWaalsContact OD1-CG2 3.22Å; D1230-T1232 WeakPolarHBondContact OD1-CG2 3.42Å; D1230-T1232 PolarHBondContact OD1-N 2.99Å; D1230-T1232 VanDerWaalsContact OD1-N 3.11Å; D1230-T1232 PolarHBondContact OD1-OG1 2.96Å; D1230-T1232 VanDerWaalsContact OD1-OG1 3.09Å; D1230-T1232 PolarHBondContact OD2-OG1 2.98Å; D1230-T1232 VanDerWaalsContact OD2-OG1 3.08Å | ||
| 1231 | K | 33.4 | Very low | 39.3 | Very low | 170.6 Ų | 170.6 | 135.9 Ų | 135.9 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | -81.6 | 57.1 | 177.7 | -84.1 | 179.8 | 173.2 | 152.8 | 0 | 113.1 | E1229 | E1229-K1231 VanDerWaalsContact C-N 3.31Å; E1229-K1231 HydrophobicContact CB-CD 4.39Å; E1229-K1231 HydrophobicContact CB-CG 4.36Å; E1229-K1231 VanDerWaalsContact CD-CE 3.44Å; E1229-K1231 PolarHBondContact O-N 2.89Å; E1229-K1231 VanDerWaalsContact OE1-CE 3.24Å; E1229-K1231 WeakPolarHBondContact OE1-CE 3.43Å; E1229-K1231 IonicContact OE1-NZ 2.75Å; E1229-K1231 PolarHBondContact OE1-NZ 3.28Å; E1229-K1231 WeakPolarHBondContact OE2-CE 3.22Å; E1229-K1231 IonicContact OE2-NZ 2.74Å; E1229-K1231 PolarHBondContact OE2-NZ 3.08Å | ||
| 1232 | T | 35.4 | Very low | 37.8 | Very low | 100.4 Ų | 100.4 | 138.4 Ų | 138.4 | 62% | 0.616 | 72% | 0.724 | S | S | * | * | trans | -134.1 | 98.4 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | D1230 | D1230-T1232 VanDerWaalsContact C-N 3.29Å; D1230-T1232 PolarHBondContact O-N 2.98Å; D1230-T1232 VanDerWaalsContact O-N 3.12Å; D1230-T1232 WeakPolarHBondContact OD1-CB 3.34Å; D1230-T1232 VanDerWaalsContact OD1-CG2 3.22Å; D1230-T1232 WeakPolarHBondContact OD1-CG2 3.42Å; D1230-T1232 PolarHBondContact OD1-N 2.99Å; D1230-T1232 VanDerWaalsContact OD1-N 3.11Å; D1230-T1232 PolarHBondContact OD1-OG1 2.96Å; D1230-T1232 VanDerWaalsContact OD1-OG1 3.09Å; D1230-T1232 PolarHBondContact OD2-OG1 2.98Å; D1230-T1232 VanDerWaalsContact OD2-OG1 3.08Å | ||
| 1233 | K | 34.4 | Very low | 36.4 | Very low | 192.6 Ų | 192.6 | 141.6 Ų | 141.6 | 84% | 0.837 | 74% | 0.736 | S | S | * | * | -162.6 | 145.5 | 124.2 | -103.8 | 144.2 | -165.3 | 158.3 | 0 | 111.9 | |||||
| 1234 | P | 34.6 | Very low | 35.1 | Very low | 123.8 Ų | 123.8 | 144.3 Ų | 144.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -95 | 148.9 | -171.2 | 36.8 | -34.8 | 0 | 0 | 0 | 114.2 | ||||
| 1235 | I | 37.2 | Very low | 33.9 | Very low | 154.8 Ų | 154.8 | 145.3 Ų | 145.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -74.2 | 127.5 | 168.3 | -58.9 | 168.5 | 0 | 0 | 0 | 112.8 | ||||
| 1236 | K | 37.2 | Very low | 33.3 | Very low | 186.8 Ų | 186.8 | 142.1 Ų | 142.1 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -138.4 | 142 | 142.3 | -101.3 | 174.5 | -179.8 | -161.9 | 0 | 114.6 | ||||
| 1237 | E | 32.5 | Very low | 33.1 | Very low | 175.6 Ų | 175.6 | 145.1 Ų | 145.1 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | trans | -12.5 | 122.9 | 155 | -61 | 162.5 | 156.1 | 0 | 0 | 116.5 | ||||
| 1238 | A | 35.2 | Very low | 32.8 | Very low | 97.4 Ų | 97.4 | 148.3 Ų | 148.3 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | 175.2 | 124 | 132.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1239 | N | 32 | Very low | 32.8 | Very low | 147.6 Ų | 147.6 | 145.2 Ų | 145.2 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | 8.4 | 138.2 | 153.8 | -83.5 | 5.1 | 0 | 0 | 0 | 118.8 | ||||
| 1240 | E | 34 | Very low | 32.6 | Very low | 174.6 Ų | 174.6 | 143.2 Ų | 143.2 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 120.3 | 128.1 | 136.2 | -89.6 | 163.3 | -152.9 | 0 | 0 | 118 | ||||
| 1241 | S | 32.7 | Very low | 32.6 | Very low | 105.6 Ų | 105.6 | 143 Ų | 143 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 129 | 143.7 | 155 | 59.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1242 | S | 33.5 | Very low | 32.6 | Very low | 111.4 Ų | 111.4 | 139.9 Ų | 139.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 76.6 | 141.2 | 150.5 | 44 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1243 | D | 31.1 | Very low | 32.3 | Very low | 162.2 Ų | 162.2 | 141.6 Ų | 141.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | -140.7 | 142.2 | 122.6 | -102.1 | -35.6 | 0 | 0 | 0 | 114.6 | |||||
| 1244 | A | 32.3 | Very low | 32.1 | Very low | 90.8 Ų | 90.8 | 138.4 Ų | 138.4 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | 149.7 | 113.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1246 | A1244-V1246 PolarHBondContact O-N 3.03Š| ||
| 1245 | S | 29.8 | Very low | 31.7 | Very low | 114.8 Ų | 114.8 | 138.2 Ų | 138.2 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 122 | 163.8 | 59 | 0 | 0 | 0 | 0 | 116.7 | M1247 | S1245-M1247 PolarHBondContact O-N 3.03Š| ||
| 1246 | V | 32.4 | Very low | 31.4 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -81.9 | 119.6 | 159.8 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | A1244 K1248 | A1244-V1246 PolarHBondContact O-N 3.03Å; V1246-K1248 PolarHBondContact O-N 3.11Å; V1246-K1248 VanDerWaalsContact O-N 3.15Å | ||
| 1247 | M | 30.4 | Very low | 31 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -75 | 121.1 | 175.7 | -96.8 | -167.1 | 171.3 | 0 | 0 | 112.3 | S1245 V1249 | S1245-M1247 PolarHBondContact O-N 3.03Å; M1247-V1249 HydrophobicContact CB-CG2 4.48Å; M1247-V1249 PolarHBondContact O-N 3.29Å | ||
| 1248 | K | 25.4 | Very low | 30.7 | Very low | 188.8 Ų | 188.8 | 138.9 Ų | 138.9 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | trans | -113 | 98.6 | 174.7 | -173.5 | -179.5 | -176.7 | 178.7 | 0 | 110.2 | V1246 V1250 | V1246-K1248 PolarHBondContact O-N 3.11Å; V1246-K1248 VanDerWaalsContact O-N 3.15Å; K1248-V1250 HydrophobicContact CG-CG2 4.23Å; K1248-V1250 PolarHBondContact O-N 2.89Å | ||
| 1249 | V | 30.2 | Very low | 30.4 | Very low | 133.4 Ų | 133.4 | 139.3 Ų | 139.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -99.3 | 120.8 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | M1247 | M1247-V1249 HydrophobicContact CB-CG2 4.48Å; M1247-V1249 PolarHBondContact O-N 3.29Å | ||
| 1250 | V | 29.4 | Very low | 30.3 | Very low | 122.6 Ų | 122.6 | 137.1 Ų | 137.1 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 123.4 | 162.8 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | K1248 P1252 | K1248-V1250 HydrophobicContact CG-CG2 4.23Å; K1248-V1250 PolarHBondContact O-N 2.89Å; V1250-P1252 WeakPolarHBondContact O-CD 3.38Å | ||
| 1251 | N | 30.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | -96.8 | 134.1 | 171 | -169.9 | 72.6 | 0 | 0 | 0 | 113.2 | N1253 | N1251-N1253 PolarHBondContact ND2-OD1 3.18Š| ||
| 1252 | P | 34.9 | Very low | 29.9 | Very low | 104.4 Ų | 104.4 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -110.6 | 136.7 | 164.6 | 36.7 | -26.1 | 0 | 0 | 0 | 113.6 | V1250 T1254 | V1250-P1252 WeakPolarHBondContact O-CD 3.38Å; P1252-T1254 PolarHBondContact O-N 3.27Å | ||
| 1253 | N | 28 | Very low | 29.6 | Very low | 135.6 Ų | 135.6 | 138.8 Ų | 138.8 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | trans | -34.8 | 134.2 | 167.8 | -73.6 | -9.3 | 0 | 0 | 0 | 114.8 | N1251 | N1251-N1253 PolarHBondContact ND2-OD1 3.18Š| ||
| 1254 | T | 29.8 | Very low | 29.4 | Very low | 125.4 Ų | 125.4 | 135.6 Ų | 135.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | -164.1 | 136.9 | 113.1 | 30.2 | 0 | 0 | 0 | 0 | 113.8 | P1252 S1256 | P1252-T1254 PolarHBondContact O-N 3.27Å; T1254-S1256 PolarHBondContact O-N 3.34Å | |||
| 1255 | S | 27.7 | Very low | 29.3 | Very low | 119.8 Ų | 119.8 | 136.6 Ų | 136.6 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 35.4 | 121.8 | 153.3 | 59 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1256 | S | 29.9 | Very low | 29.2 | Very low | 117.4 Ų | 117.4 | 134.6 Ų | 134.6 | 82% | 0.821 | 75% | 0.746 | S | S | * | * | trans | -142.1 | 169.2 | 140.5 | 64 | 0 | 0 | 0 | 0 | 111.5 | T1254 | T1254-S1256 PolarHBondContact O-N 3.34Š| ||
| 1257 | R | 28.2 | Very low | 28.9 | Very low | 240.4 Ų | 240.4 | 136.5 Ų | 136.5 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | trans | -113.1 | 136.7 | -177.2 | -77.2 | 170.9 | 175.5 | 177.1 | -3.5 | 112.3 | ||||
| 1258 | Q | 27.4 | Very low | 28.9 | Very low | 174.8 Ų | 174.8 | 132.7 Ų | 132.7 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | trans | -142.9 | 150.3 | 156.3 | -76.1 | -89.3 | -25.4 | 0 | 0 | 111.1 | ||||
| 1259 | P | 29.5 | Very low | 29.1 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | trans | -106.5 | 145.7 | -145.6 | 35.9 | -27.2 | 0 | 0 | 0 | 112.5 | F1261 | P1259-F1261 PolarHBondContact O-N 3.08Š| ||
| 1260 | S | 29.1 | Very low | 29.1 | Very low | 101.2 Ų | 101.2 | 125.2 Ų | 125.2 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | -85.9 | 119.5 | 170.1 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | W1262 S1263 | S1260-W1262 VanDerWaalsContact C-N 3.3Å; S1260-W1262 PolarHBondContact O-N 3.31Å; S1260-S1263 PolarHBondContact N-OG 3.4Å; S1260-S1263 VanDerWaalsContact O-CB 3.29Å; S1260-S1263 WeakPolarHBondContact O-CB 3.47Å; S1260-S1263 PolarHBondContact O-N 3.11Å; S1260-S1263 PolarHBondContact O-OG 3.13Å | ||
| 1261 | F | 30.2 | Very low | 29.2 | Very low | 152.8 Ų | 152.8 | 123.2 Ų | 123.2 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | 9.6 | 15.1 | 144.8 | -171.7 | -105.2 | 0 | 0 | 0 | 117 | P1259 S1263 R1337 | P1259-F1261 PolarHBondContact O-N 3.08Å; F1261-S1263 PolarHBondContact O-N 2.96Å; F1261-R1337 VanDerWaalsContact CE2-NH1 3.28Å; F1261-R1337 VanDerWaalsContact CZ-NH2 3.31Å | ||
| 1262 | W | 28.7 | Very low | 29.1 | Very low | 191.4 Ų | 191.4 | 123.1 Ų | 123.1 | 73% | 0.725 | 72% | 0.718 | S | S | * | * | trans | -112.2 | 63.4 | 168.3 | -75.1 | 105.6 | 0 | 0 | 0 | 112.1 | S1260 S1264 V1265 A1266 E1287 T1290 | S1260-W1262 VanDerWaalsContact C-N 3.3Å; S1260-W1262 PolarHBondContact O-N 3.31Å; W1262-S1264 PolarHBondContact O-N 3.33Å; W1262-V1265 PolarHBondContact O-N 3.41Å; W1262-A1266 PolarHBondContact O-N 2.74Å; W1262-A1266 VanDerWaalsContact O-N 3.09Å; W1262-E1287 HydrophobicContact CD2-CG 3.85Å; W1262-E1287 HydrophobicContact CE3-CG 3.62Å; W1262-E1287 HydrophobicContact CG-CG 4.48Å; W1262-E1287 HydrophobicContact CH2-CG 4.1Å; W1262-E1287 HydrophobicContact CZ2-CG 4.29Å; W1262-E1287 HydrophobicContact CZ3-CG 3.75Å; W1262-T1290 PolarHBondContact NE1-OG1 3.12Å | ||
| 1263 | S | 26.5 | Very low | 28.9 | Very low | 83.2 Ų | 83.2 | 121.4 Ų | 121.4 | 58% | 0.582 | 72% | 0.719 | S | S | * | * | trans | -118.9 | 26.5 | -173.9 | -63.5 | 0 | 0 | 0 | 0 | 113.8 | S1260 F1261 R1267 | S1260-S1263 PolarHBondContact N-OG 3.4Å; S1260-S1263 VanDerWaalsContact O-CB 3.29Å; S1260-S1263 WeakPolarHBondContact O-CB 3.47Å; S1260-S1263 PolarHBondContact O-N 3.11Å; S1260-S1263 PolarHBondContact O-OG 3.13Å; F1261-S1263 PolarHBondContact O-N 2.96Å; S1263-R1267 WeakPolarHBondContact O-CG 3.31Å; S1263-R1267 VanDerWaalsContact O-CZ 3.28Å; S1263-R1267 PolarHBondContact O-NE 2.91Å; S1263-R1267 VanDerWaalsContact O-NE 3.11Å; S1263-R1267 PolarHBondContact O-NH2 3.05Å; S1263-R1267 PolarHBondContact OG-NH2 3.46Å | ||
| 1264 | S | 27.2 | Very low | 29.1 | Very low | 94.6 Ų | 94.6 | 119.4 Ų | 119.4 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | trans | -136.7 | 54.2 | 174.3 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | W1262 A1266 R1267 S1268 E1595 | W1262-S1264 PolarHBondContact O-N 3.33Å; S1264-A1266 PolarHBondContact O-N 3.24Å; S1264-R1267 PolarHBondContact O-N 2.91Å; S1264-R1267 PolarHBondContact OG-NH2 2.83Å; S1264-S1268 PolarHBondContact O-OG 2.9Å; S1264-E1595 WeakPolarHBondContact CB-OE2 3.41Å; S1264-E1595 PolarHBondContact OG-OE2 3.36Å | ||
| 1265 | V | 28.8 | Very low | 29.3 | Very low | 112.6 Ų | 112.6 | 117.7 Ų | 117.7 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -121.4 | 85.9 | 149.6 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | W1262 R1267 S1268 | W1262-V1265 PolarHBondContact O-N 3.41Å; V1265-R1267 PolarHBondContact O-N 3Å; V1265-R1267 VanDerWaalsContact O-N 3.07Å; V1265-S1268 PolarHBondContact O-N 2.91Å; V1265-S1268 PolarHBondContact O-OG 3.25Å | ||
| 1266 | A | 27.8 | Very low | 30 | Very low | 72.2 Ų | 72.2 | 113.2 Ų | 113.2 | 60% | 0.597 | 67% | 0.669 | S | S | * | * | trans | -74.5 | 69.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | W1262 S1264 S1269 | W1262-A1266 PolarHBondContact O-N 2.74Å; W1262-A1266 VanDerWaalsContact O-N 3.09Å; S1264-A1266 PolarHBondContact O-N 3.24Å; A1266-S1269 PolarHBondContact O-OG 2.71Å | ||
| 1267 | R | 28 | Very low | 30.8 | Very low | 178 Ų | 178 | 109.2 Ų | 109.2 | 67% | 0.672 | 64% | 0.638 | S | S | * | * | trans | -105.5 | 96.2 | 141.4 | -74.6 | -177.3 | -102.2 | -142.9 | -2 | 112.7 | S1263 S1264 V1265 S1269 A1270 E1595 | S1263-R1267 WeakPolarHBondContact O-CG 3.31Å; S1263-R1267 VanDerWaalsContact O-CZ 3.28Å; S1263-R1267 PolarHBondContact O-NE 2.91Å; S1263-R1267 VanDerWaalsContact O-NE 3.11Å; S1263-R1267 PolarHBondContact O-NH2 3.05Å; S1263-R1267 PolarHBondContact OG-NH2 3.46Å; S1264-R1267 PolarHBondContact O-N 2.91Å; S1264-R1267 PolarHBondContact OG-NH2 2.83Å; V1265-R1267 PolarHBondContact O-N 3Å; V1265-R1267 VanDerWaalsContact O-N 3.07Å; R1267-S1269 VanDerWaalsContact C-N 3.34Å; R1267-S1269 PolarHBondContact O-N 2.9Å; R1267-A1270 WeakPolarHBondContact O-CB 3.47Å; R1267-A1270 PolarHBondContact O-N 2.82Å; R1267-A1270 VanDerWaalsContact O-N 3.16Å; R1267-E1595 WeakPolarHBondContact CD-OE2 3.48Å; R1267-E1595 IonicContact CZ-OE1 3.57Å; R1267-E1595 IonicContact CZ-OE2 3.68Å; R1267-E1595 IonicContact NE-OE2 3.16Å; R1267-E1595 IonicContact NH1-OE1 2.74Å; R1267-E1595 PolarHBondContact NH1-OE1 3.16Å; R1267-E1595 IonicContact NH1-OE2 3.26Å; R1267-E1595 PolarHBondContact NH1-OE2 3.12Å; R1267-E1595 IonicContact NH2-OE2 3.26Å; R1267-E1595 PolarHBondContact NH2-OE2 3.22Å | ||
| 1268 | S | 28.7 | Very low | 31.7 | Very low | 103.6 Ų | 103.6 | 99.3 Ų | 99.3 | 72% | 0.724 | 60% | 0.602 | S | S | * | * | trans | -38.9 | 84.9 | 176.5 | -52 | 0 | 0 | 0 | 0 | 112.9 | S1264 V1265 A1270 | S1264-S1268 PolarHBondContact O-OG 2.9Å; V1265-S1268 PolarHBondContact O-N 2.91Å; V1265-S1268 PolarHBondContact O-OG 3.25Å; S1268-A1270 PolarHBondContact O-N 2.84Å | ||
| 1269 | S | 31 | Very low | 32.4 | Very low | 83 Ų | 83 | 93.3 Ų | 93.3 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | trans | -105.5 | 98.7 | 155.3 | -21.8 | 0 | 0 | 0 | 0 | 112.7 | A1266 R1267 A1271 E1279 L1592 | A1266-S1269 PolarHBondContact O-OG 2.71Å; R1267-S1269 VanDerWaalsContact C-N 3.34Å; R1267-S1269 PolarHBondContact O-N 2.9Å; S1269-A1271 VanDerWaalsContact C-N 3.3Å; S1269-A1271 PolarHBondContact O-N 3.01Å; S1269-E1279 WeakPolarHBondContact CB-OE1 3.39Å; S1269-L1592 WeakPolarHBondContact OG-CD2 3.5Å | ||
| 1270 | A | 28.9 | Very low | 33.3 | Very low | 80.2 Ų | 80.2 | 92.2 Ų | 92.2 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | trans | -102.6 | 78.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1267 S1268 S1272 L1592 | R1267-A1270 WeakPolarHBondContact O-CB 3.47Å; R1267-A1270 PolarHBondContact O-N 2.82Å; R1267-A1270 VanDerWaalsContact O-N 3.16Å; S1268-A1270 PolarHBondContact O-N 2.84Å; A1270-S1272 PolarHBondContact O-N 3.11Å; A1270-S1272 VanDerWaalsContact O-N 3.12Å; A1270-L1592 HydrophobicContact CB-CD2 4.39Å | ||
| 1271 | A | 31.3 | Very low | 34.2 | Very low | 81 Ų | 81 | 90.3 Ų | 90.3 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | trans | -118.5 | 121 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1269 G1273 | S1269-A1271 VanDerWaalsContact C-N 3.3Å; S1269-A1271 PolarHBondContact O-N 3.01Å; A1271-G1273 PolarHBondContact O-N 2.96Å | ||
| 1272 | S | 29.4 | Very low | 34.9 | Very low | 128 Ų | 128 | 85.1 Ų | 85.1 | 90% | 0.895 | 52% | 0.519 | S | S | * | . | trans | -83.2 | 112.4 | -172.9 | -69.9 | 0 | 0 | 0 | 0 | 112 | A1270 | A1270-S1272 PolarHBondContact O-N 3.11Å; A1270-S1272 VanDerWaalsContact O-N 3.12Å | ||
| 1273 | G | 30.8 | Very low | 35.5 | Very low | 68.6 Ų | 68.6 | 80.6 Ų | 80.6 | 71% | 0.707 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -164.4 | 147.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114 | A1271 L1275 | A1271-G1273 PolarHBondContact O-N 2.96Å; G1273-L1275 PolarHBondContact O-N 2.94Å |
| 1274 | C | 33 | Very low | 36.3 | Very low | 93.4 Ų | 93.4 | 79.4 Ų | 79.4 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | trans | -92.9 | 99.8 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 113.2 | S1276 | C1274-S1276 PolarHBondContact O-N 3.15Š| ||
| 1275 | L | 33.7 | Very low | 37.2 | Very low | 89.2 Ų | 89.2 | 77.1 Ų | 77.1 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | trans | -84.6 | 128.1 | 176.4 | -62 | 179.7 | 0 | 0 | 0 | 111.4 | G1273 E1279 L1280 | G1273-L1275 PolarHBondContact O-N 2.94Å; L1275-E1279 VanDerWaalsContact CA-OE2 3.3Å; L1275-E1279 WeakPolarHBondContact CA-OE2 3.1Å; L1275-E1279 HydrophobicContact CB-CB 4.34Å; L1275-E1279 HydrophobicContact CD2-CB 4.33Å; L1275-E1279 WeakPolarHBondContact CD2-OE1 3.35Å; L1275-E1279 WeakPolarHBondContact CD2-OE2 3.36Å; L1275-L1280 HydrophobicContact CB-CD1 4.16Å; L1275-L1280 HydrophobicContact CB-CD2 4.34Å; L1275-L1280 HydrophobicContact CB-CG 3.74Å; L1275-L1280 HydrophobicContact CD1-CD2 4.05Å; L1275-L1280 HydrophobicContact CD1-CG 4.19Å | ||
| 1276 | S | 42.1 | Very low | 37.9 | Very low | 25.8 Ų | 25.8 | 75 Ų | 75 | 18% | 0.18 | 46% | 0.462 | C | S | . | . | trans | -78.7 | 161.1 | 174.6 | -180 | 0 | 0 | 0 | 0 | 112 | L1068 F1080 I1081 C1274 H1278 E1279 L1280 | L1068-S1276 PolarHBondContact O-OG 3.07Å; F1080-S1276 VanDerWaalsContact O-CB 3.31Å; F1080-S1276 WeakPolarHBondContact O-CB 3.38Å; F1080-S1276 PolarHBondContact O-OG 3.13Å; I1081-S1276 WeakPolarHBondContact CG1-OG 3.09Å; C1274-S1276 PolarHBondContact O-N 3.15Å; S1276-H1278 PolarHBondContact O-N 3.14Å; S1276-H1278 VanDerWaalsContact O-N 3.11Å; S1276-H1278 WeakPolarHBondContact OG-CB 3.36Å; S1276-H1278 PolarHBondContact OG-N 2.98Å; S1276-E1279 PolarHBondContact N-OE2 3.41Å; S1276-E1279 WeakPolarHBondContact O-CB 3.41Å; S1276-E1279 PolarHBondContact O-N 2.93Å; S1276-E1279 VanDerWaalsContact O-N 3.11Å; S1276-L1280 PolarHBondContact O-N 3.12Å; S1276-L1280 VanDerWaalsContact O-N 3.11Å | ||
| 1277 | M | 47.3 | Very low | 38.7 | Very low | 33 Ų | 33 | 76 Ų | 76 | 16% | 0.163 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -51.9 | -33.5 | 167.7 | -104.8 | -35.2 | -129.4 | 0 | 0 | 111.9 | P1067 L1069 F1108 L1141 E1279 L1280 F1281 I1282 | P1067-M1277 HydrophobicContact CB-CB 4.26Å; P1067-M1277 HydrophobicContact CB-CG 3.79Å; P1067-M1277 VanDerWaalsContact CB-N 3.31Å; P1067-M1277 HydrophobicContact CB-SD 4.13Å; P1067-M1277 VanDerWaalsContact CD-SD 3.55Å; P1067-M1277 HydrophobicContact CG-CB 4.31Å; P1067-M1277 HydrophobicContact CG-CE 4.18Å; P1067-M1277 HydrophobicContact CG-CG 3.85Å; P1067-M1277 HydrophobicContact CG-SD 3.72Å; P1067-M1277 VanDerWaalsContact CG-SD 3.57Å; L1069-M1277 HydrophobicContact CB-CB 4.17Å; L1069-M1277 HydrophobicContact CB-CG 4.43Å; F1108-M1277 HydrophobicContact CB-CE 4.4Å; F1108-M1277 HydrophobicContact CD1-CE 3.42Å; F1108-M1277 VanDerWaalsContact CD1-CE 3.44Å; F1108-M1277 HydrophobicContact CD2-CE 3.8Å; F1108-M1277 HydrophobicContact CD2-CG 4.2Å; F1108-M1277 HydrophobicContact CE1-CE 3.33Å; F1108-M1277 VanDerWaalsContact CE1-CE 3.49Å; F1108-M1277 HydrophobicContact CE2-CE 3.69Å; F1108-M1277 VanDerWaalsContact CE2-CE 3.44Å; F1108-M1277 HydrophobicContact CE2-CG 4.08Å; F1108-M1277 HydrophobicContact CG-CE 3.7Å; F1108-M1277 HydrophobicContact CZ-CE 3.47Å; F1108-M1277 VanDerWaalsContact CZ-CE 3.5Å; L1141-M1277 HydrophobicContact CD2-CE 3.79Å; L1141-M1277 HydrophobicContact CD2-SD 3.91Å; L1141-M1277 WeakPolarHBondContact CD2-SD 3.32Å; L1141-M1277 HydrophobicContact CG-CE 4.18Å; L1141-M1277 HydrophobicContact CG-SD 4.4Å; M1277-E1279 VanDerWaalsContact C-N 3.33Å; M1277-E1279 PolarHBondContact O-N 2.91Å; M1277-E1279 VanDerWaalsContact O-N 3.15Å; M1277-L1280 PolarHBondContact O-N 3.22Å; M1277-L1280 HydrophobicContact SD-CD1 4.09Å; M1277-F1281 HydrophobicContact CB-CD2 4.4Å; M1277-F1281 HydrophobicContact CB-CE2 4.3Å; M1277-F1281 HydrophobicContact CE-CB 3.98Å; M1277-F1281 HydrophobicContact CE-CD1 4.3Å; M1277-F1281 HydrophobicContact CE-CD2 3.53Å; M1277-F1281 HydrophobicContact CE-CE2 3.86Å; M1277-F1281 HydrophobicContact CE-CG 3.88Å; M1277-F1281 HydrophobicContact CE-CZ 4.09Å; M1277-F1281 HydrophobicContact CG-CB 4.46Å; M1277-F1281 HydrophobicContact CG-CD2 4.49Å; M1277-F1281 HydrophobicContact CG-CE2 4.17Å; M1277-F1281 WeakPolarHBondContact O-CB 3.45Å; M1277-F1281 VanDerWaalsContact O-CD2 3.26Å; M1277-F1281 WeakPolarHBondContact O-CD2 3.35Å; M1277-F1281 PolarHBondContact O-N 3.33Å; M1277-F1281 VanDerWaalsContact O-N 3.08Å; M1277-F1281 HydrophobicContact SD-CB 4.06Å; M1277-F1281 HydrophobicContact SD-CD2 3.63Å; M1277-F1281 WeakPolarHBondContact SD-CD2 3.37Å; M1277-F1281 HydrophobicContact SD-CE2 3.81Å; M1277-F1281 WeakPolarHBondContact SD-CE2 3.41Å; M1277-F1281 HydrophobicContact SD-CG 3.81Å; M1277-F1281 HydrophobicContact SD-CZ 4.27Å; M1277-I1282 PolarHBondContact O-N 3.13Å |
| 1278 | H | 45.4 | Very low | 39.3 | Very low | 33.6 Ų | 33.6 | 69.8 Ų | 69.8 | 16% | 0.156 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -53.8 | -41.3 | 175.1 | -168 | 46.4 | 0 | 0 | 0 | 112.6 | V1077 S1079 I1081 L1095 M1096 L1098 S1276 L1280 F1281 I1282 R1283 | V1077-H1278 VanDerWaalsContact CG1-CE1 3.49Å; V1077-H1278 WeakPolarHBondContact CG1-CE1 3.31Å; S1079-H1278 PolarHBondContact OG-NE2 3.38Å; I1081-H1278 HydrophobicContact CD1-CB 4.36Å; L1095-H1278 VanDerWaalsContact CD2-NE2 3.29Å; L1095-H1278 WeakPolarHBondContact CD2-NE2 3.48Å; M1096-H1278 PolarHBondContact O-CE1 2.85Å; L1098-H1278 VanDerWaalsContact CD1-CE1 3.44Å; L1098-H1278 WeakPolarHBondContact CD1-CE1 3.24Å; L1098-H1278 VanDerWaalsContact CD1-ND1 3.34Å; L1098-H1278 WeakPolarHBondContact CD1-ND1 3.24Å; L1098-H1278 WeakPolarHBondContact CD1-O 3.33Å; L1098-H1278 HydrophobicContact CD2-CB 4.4Å; L1098-H1278 WeakPolarHBondContact CD2-ND1 3.44Å; L1098-H1278 VanDerWaalsContact CG-CE1 3.48Å; L1098-H1278 WeakPolarHBondContact CG-CE1 3.5Å; L1098-H1278 WeakPolarHBondContact CG-ND1 3.41Å; S1276-H1278 PolarHBondContact O-N 3.14Å; S1276-H1278 VanDerWaalsContact O-N 3.11Å; S1276-H1278 WeakPolarHBondContact OG-CB 3.36Å; S1276-H1278 PolarHBondContact OG-N 2.98Å; H1278-L1280 PolarHBondContact O-N 3.41Å; H1278-F1281 CarbonylContact O-C 3.52Å; H1278-F1281 PolarHBondContact O-N 2.68Å; H1278-I1282 WeakPolarHBondContact CE1-CD1 3.38Å; H1278-I1282 WeakPolarHBondContact ND1-CD1 3.5Å; H1278-I1282 VanDerWaalsContact NE2-CD1 3.3Å; H1278-I1282 WeakPolarHBondContact NE2-CD1 3.47Å; H1278-I1282 WeakPolarHBondContact O-CB 3.34Å; H1278-I1282 WeakPolarHBondContact O-CG1 3.25Å; H1278-I1282 PolarHBondContact O-N 2.62Å; H1278-R1283 PolarHBondContact O-N 2.98Å |
| 1279 | E | 43.7 | Very low | 40 | Very low | 47.8 Ų | 47.8 | 66.8 Ų | 66.8 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -85.8 | -39 | -177.8 | -64.4 | -178.1 | 111.4 | 0 | 0 | 112.3 | L1098 S1269 L1275 S1276 M1277 F1281 I1282 R1283 S1284 | L1098-E1279 HydrophobicContact CD2-CG 4.23Å; S1269-E1279 WeakPolarHBondContact CB-OE1 3.39Å; L1275-E1279 VanDerWaalsContact CA-OE2 3.3Å; L1275-E1279 WeakPolarHBondContact CA-OE2 3.1Å; L1275-E1279 HydrophobicContact CB-CB 4.34Å; L1275-E1279 HydrophobicContact CD2-CB 4.33Å; L1275-E1279 WeakPolarHBondContact CD2-OE1 3.35Å; L1275-E1279 WeakPolarHBondContact CD2-OE2 3.36Å; S1276-E1279 PolarHBondContact N-OE2 3.41Å; S1276-E1279 WeakPolarHBondContact O-CB 3.41Å; S1276-E1279 PolarHBondContact O-N 2.93Å; S1276-E1279 VanDerWaalsContact O-N 3.11Å; M1277-E1279 VanDerWaalsContact C-N 3.33Å; M1277-E1279 PolarHBondContact O-N 2.91Å; M1277-E1279 VanDerWaalsContact O-N 3.15Å; E1279-F1281 VanDerWaalsContact C-N 3.32Å; E1279-F1281 PolarHBondContact O-N 3.03Å; E1279-I1282 PolarHBondContact O-N 3.31Å; E1279-R1283 WeakPolarHBondContact O-CB 3.44Å; E1279-R1283 PolarHBondContact O-N 3.24Å; E1279-R1283 IonicContact OE1-CZ 2.88Å; E1279-R1283 IonicContact OE1-NH1 3.31Å; E1279-R1283 PolarHBondContact OE1-NH1 2.73Å; E1279-R1283 IonicContact OE1-NH2 3.52Å; E1279-R1283 PolarHBondContact OE1-NH2 3.09Å; E1279-S1284 PolarHBondContact O-N 3.26Å |
| 1280 | L | 46.8 | Very low | 40.6 | Very low | 84 Ų | 84 | 65.3 Ų | 65.3 | 44% | 0.44 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 178.5 | -73.6 | 174.4 | 0 | 0 | 0 | 112.8 | P1067 L1141 L1275 S1276 M1277 H1278 I1282 S1284 | P1067-L1280 HydrophobicContact CG-CD1 3.75Å; L1141-L1280 HydrophobicContact CD2-CD1 3.91Å; L1275-L1280 HydrophobicContact CB-CD1 4.16Å; L1275-L1280 HydrophobicContact CB-CD2 4.34Å; L1275-L1280 HydrophobicContact CB-CG 3.74Å; L1275-L1280 HydrophobicContact CD1-CD2 4.05Å; L1275-L1280 HydrophobicContact CD1-CG 4.19Å; S1276-L1280 PolarHBondContact O-N 3.12Å; S1276-L1280 VanDerWaalsContact O-N 3.11Å; M1277-L1280 PolarHBondContact O-N 3.22Å; M1277-L1280 HydrophobicContact SD-CD1 4.09Å; H1278-L1280 PolarHBondContact O-N 3.41Å; L1280-I1282 PolarHBondContact O-N 2.93Å; L1280-S1284 VanDerWaalsContact O-CB 3.31Å; L1280-S1284 WeakPolarHBondContact O-CB 3.39Å; L1280-S1284 PolarHBondContact O-N 3.03Å; L1280-S1284 PolarHBondContact O-OG 3.28Å; L1280-S1284 VanDerWaalsContact O-OG 3.11Å |
| 1281 | F | 48.6 | Very low | 41.4 | Very low | 59.6 Ų | 59.6 | 65.6 Ų | 65.6 | 26% | 0.261 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -87.5 | -33.6 | 178.8 | -101.2 | -76.7 | 0 | 0 | 0 | 113.6 | L1098 F1108 L1141 G1143 V1145 M1277 H1278 E1279 S1285 | L1098-F1281 HydrophobicContact CD1-CB 3.92Å; L1098-F1281 HydrophobicContact CD1-CD2 3.97Å; L1098-F1281 HydrophobicContact CD1-CG 4.2Å; L1098-F1281 HydrophobicContact CD2-CB 3.94Å; L1098-F1281 HydrophobicContact CG-CB 4.44Å; F1108-F1281 HydrophobicContact CE1-CD1 4.31Å; F1108-F1281 HydrophobicContact CE1-CE1 4.38Å; F1108-F1281 AromaticContact CE1-CZ 3.68Å; F1108-F1281 HydrophobicContact CE1-CZ 3.68Å; F1108-F1281 HydrophobicContact CZ-CE2 4.38Å; F1108-F1281 AromaticContact CZ-CZ 3.7Å; F1108-F1281 HydrophobicContact CZ-CZ 3.7Å; L1141-F1281 HydrophobicContact CB-CE1 3.83Å; L1141-F1281 HydrophobicContact CB-CZ 4.32Å; G1143-F1281 WeakPolarHBondContact O-CZ 3.39Å; V1145-F1281 HydrophobicContact CB-CE1 4.43Å; V1145-F1281 HydrophobicContact CG2-CE1 3.55Å; V1145-F1281 HydrophobicContact CG2-CZ 3.97Å; M1277-F1281 HydrophobicContact CB-CD2 4.4Å; M1277-F1281 HydrophobicContact CB-CE2 4.3Å; M1277-F1281 HydrophobicContact CE-CB 3.98Å; M1277-F1281 HydrophobicContact CE-CD1 4.3Å; M1277-F1281 HydrophobicContact CE-CD2 3.53Å; M1277-F1281 HydrophobicContact CE-CE2 3.86Å; M1277-F1281 HydrophobicContact CE-CG 3.88Å; M1277-F1281 HydrophobicContact CE-CZ 4.09Å; M1277-F1281 HydrophobicContact CG-CB 4.46Å; M1277-F1281 HydrophobicContact CG-CD2 4.49Å; M1277-F1281 HydrophobicContact CG-CE2 4.17Å; M1277-F1281 WeakPolarHBondContact O-CB 3.45Å; M1277-F1281 VanDerWaalsContact O-CD2 3.26Å; M1277-F1281 WeakPolarHBondContact O-CD2 3.35Å; M1277-F1281 PolarHBondContact O-N 3.33Å; M1277-F1281 VanDerWaalsContact O-N 3.08Å; M1277-F1281 HydrophobicContact SD-CB 4.06Å; M1277-F1281 HydrophobicContact SD-CD2 3.63Å; M1277-F1281 WeakPolarHBondContact SD-CD2 3.37Å; M1277-F1281 HydrophobicContact SD-CE2 3.81Å; M1277-F1281 WeakPolarHBondContact SD-CE2 3.41Å; M1277-F1281 HydrophobicContact SD-CG 3.81Å; M1277-F1281 HydrophobicContact SD-CZ 4.27Å; H1278-F1281 CarbonylContact O-C 3.52Å; H1278-F1281 PolarHBondContact O-N 2.68Å; E1279-F1281 VanDerWaalsContact C-N 3.32Å; E1279-F1281 PolarHBondContact O-N 3.03Å; F1281-S1285 VanDerWaalsContact O-CB 3.25Å; F1281-S1285 WeakPolarHBondContact O-CB 3.32Å; F1281-S1285 PolarHBondContact O-N 3.23Å; F1281-S1285 VanDerWaalsContact O-N 3.14Å; F1281-S1285 PolarHBondContact O-OG 3.41Å |
| 1282 | I | 45.9 | Very low | 42 | Very low | 44 Ų | 44 | 64.2 Ų | 64.2 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -90.8 | -42.2 | -172.8 | -63.8 | -178.9 | 0 | 0 | 0 | 111.9 | L1069 L1098 L1100 M1277 H1278 E1279 L1280 S1284 S1285 I1286 | L1069-I1282 HydrophobicContact CD1-CD1 3.96Å; L1098-I1282 HydrophobicContact CD1-CB 4.28Å; L1098-I1282 HydrophobicContact CD1-CD1 3.54Å; L1098-I1282 HydrophobicContact CD1-CG2 3.92Å; L1098-I1282 HydrophobicContact CD2-CD1 3.93Å; L1098-I1282 HydrophobicContact CD2-CG1 3.66Å; L1098-I1282 VanDerWaalsContact CD2-CG1 3.42Å; L1100-I1282 HydrophobicContact CD1-CD1 4.23Å; L1100-I1282 HydrophobicContact CD1-CG2 4.17Å; L1100-I1282 HydrophobicContact CD2-CG2 3.9Å; M1277-I1282 PolarHBondContact O-N 3.13Å; H1278-I1282 WeakPolarHBondContact CE1-CD1 3.38Å; H1278-I1282 WeakPolarHBondContact ND1-CD1 3.5Å; H1278-I1282 VanDerWaalsContact NE2-CD1 3.3Å; H1278-I1282 WeakPolarHBondContact NE2-CD1 3.47Å; H1278-I1282 WeakPolarHBondContact O-CB 3.34Å; H1278-I1282 WeakPolarHBondContact O-CG1 3.25Å; H1278-I1282 PolarHBondContact O-N 2.62Å; E1279-I1282 PolarHBondContact O-N 3.31Å; L1280-I1282 PolarHBondContact O-N 2.93Å; I1282-S1284 VanDerWaalsContact C-N 3.28Å; I1282-S1284 PolarHBondContact O-N 3.07Å; I1282-S1285 WeakPolarHBondContact CA-OG 3.07Å; I1282-S1285 PolarHBondContact O-N 3.08Å; I1282-S1285 PolarHBondContact O-OG 3.08Å; I1282-I1286 HydrophobicContact CG2-CD1 3.91Å; I1282-I1286 WeakPolarHBondContact O-CB 3.36Å; I1282-I1286 VanDerWaalsContact O-CD1 3.29Å; I1282-I1286 WeakPolarHBondContact O-CD1 3.41Å; I1282-I1286 VanDerWaalsContact O-CG1 3.27Å; I1282-I1286 WeakPolarHBondContact O-CG1 3.31Å; I1282-I1286 PolarHBondContact O-N 3.04Å |
| 1283 | R | 40.9 | Very low | 42.6 | Very low | 96.4 Ų | 96.4 | 59.8 Ų | 59.8 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | I | π-helix | trans | -61.9 | -42.7 | 170.7 | -80.5 | -169.3 | 165.5 | 121.9 | 6.4 | 111.2 | M1096 L1098 D1099 H1278 E1279 S1285 I1286 E1287 | M1096-R1283 PolarHBondContact O-NH2 3.46Å; L1098-R1283 HydrophobicContact CD1-CG 3.98Å; L1098-R1283 HydrophobicContact CD2-CG 3.41Å; L1098-R1283 VanDerWaalsContact CD2-CG 3.41Å; L1098-R1283 HydrophobicContact CG-CG 4.35Å; D1099-R1283 IonicContact OD2-NH2 3.84Å; H1278-R1283 PolarHBondContact O-N 2.98Å; E1279-R1283 WeakPolarHBondContact O-CB 3.44Å; E1279-R1283 PolarHBondContact O-N 3.24Å; E1279-R1283 IonicContact OE1-CZ 2.88Å; E1279-R1283 IonicContact OE1-NH1 3.31Å; E1279-R1283 PolarHBondContact OE1-NH1 2.73Å; E1279-R1283 IonicContact OE1-NH2 3.52Å; E1279-R1283 PolarHBondContact OE1-NH2 3.09Å; R1283-S1285 VanDerWaalsContact C-N 3.31Å; R1283-S1285 PolarHBondContact O-N 3.18Å; R1283-I1286 PolarHBondContact O-N 3.23Å; R1283-I1286 VanDerWaalsContact O-N 3.14Å; R1283-E1287 VanDerWaalsContact O-CB 3.25Å; R1283-E1287 WeakPolarHBondContact O-CB 3.4Å; R1283-E1287 VanDerWaalsContact O-CG 3.3Å; R1283-E1287 WeakPolarHBondContact O-CG 3.4Å; R1283-E1287 PolarHBondContact O-N 3.33Å |
| 1284 | S | 43.7 | Very low | 43.2 | Very low | 58.4 Ų | 58.4 | 58.6 Ų | 58.6 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | -172.5 | 91.6 | 0 | 0 | 0 | 0 | 113.1 | E1279 L1280 I1282 I1286 E1287 A1288 | E1279-S1284 PolarHBondContact O-N 3.26Å; L1280-S1284 VanDerWaalsContact O-CB 3.31Å; L1280-S1284 WeakPolarHBondContact O-CB 3.39Å; L1280-S1284 PolarHBondContact O-N 3.03Å; L1280-S1284 PolarHBondContact O-OG 3.28Å; L1280-S1284 VanDerWaalsContact O-OG 3.11Å; I1282-S1284 VanDerWaalsContact C-N 3.28Å; I1282-S1284 PolarHBondContact O-N 3.07Å; S1284-I1286 CarbonylContact O-C 3.37Å; S1284-I1286 PolarHBondContact O-N 3.31Å; S1284-E1287 PolarHBondContact O-N 3.45Å; S1284-E1287 PolarHBondContact OG-N 3.06Å; S1284-E1287 VanDerWaalsContact OG-N 3.08Å; S1284-A1288 VanDerWaalsContact O-CB 3.24Å; S1284-A1288 WeakPolarHBondContact O-CB 3.33Å; S1284-A1288 PolarHBondContact O-N 3.05Å |
| 1285 | S | 44.8 | Very low | 43.6 | Very low | 47.6 Ų | 47.6 | 56.9 Ų | 56.9 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.8 | -33.9 | 178.4 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | F1281 I1282 R1283 A1289 | F1281-S1285 VanDerWaalsContact O-CB 3.25Å; F1281-S1285 WeakPolarHBondContact O-CB 3.32Å; F1281-S1285 PolarHBondContact O-N 3.23Å; F1281-S1285 VanDerWaalsContact O-N 3.14Å; F1281-S1285 PolarHBondContact O-OG 3.41Å; I1282-S1285 WeakPolarHBondContact CA-OG 3.07Å; I1282-S1285 PolarHBondContact O-N 3.08Å; I1282-S1285 PolarHBondContact O-OG 3.08Å; R1283-S1285 VanDerWaalsContact C-N 3.31Å; R1283-S1285 PolarHBondContact O-N 3.18Å; S1285-A1289 WeakPolarHBondContact O-CB 3.33Å; S1285-A1289 PolarHBondContact O-N 3.03Å |
| 1286 | I | 44.8 | Very low | 44.1 | Very low | 67.8 Ų | 67.8 | 55.4 Ų | 55.4 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.5 | -47.9 | 173.2 | -64.8 | 172.4 | 0 | 0 | 0 | 110.6 | L1100 I1282 R1283 S1284 A1288 A1289 T1290 W1325 | L1100-I1286 HydrophobicContact CD2-CD1 4.13Å; I1282-I1286 HydrophobicContact CG2-CD1 3.91Å; I1282-I1286 WeakPolarHBondContact O-CB 3.36Å; I1282-I1286 VanDerWaalsContact O-CD1 3.29Å; I1282-I1286 WeakPolarHBondContact O-CD1 3.41Å; I1282-I1286 VanDerWaalsContact O-CG1 3.27Å; I1282-I1286 WeakPolarHBondContact O-CG1 3.31Å; I1282-I1286 PolarHBondContact O-N 3.04Å; R1283-I1286 PolarHBondContact O-N 3.23Å; R1283-I1286 VanDerWaalsContact O-N 3.14Å; S1284-I1286 CarbonylContact O-C 3.37Å; S1284-I1286 PolarHBondContact O-N 3.31Å; I1286-A1288 PolarHBondContact O-N 3.31Å; I1286-A1288 VanDerWaalsContact O-N 3.16Å; I1286-A1289 WeakPolarHBondContact O-CA 3.4Å; I1286-A1289 WeakPolarHBondContact O-CB 3.45Å; I1286-A1289 PolarHBondContact O-N 3.28Å; I1286-T1290 HydrophobicContact CG2-CG2 4.37Å; I1286-T1290 WeakPolarHBondContact O-CB 3.28Å; I1286-T1290 VanDerWaalsContact O-CG2 3.28Å; I1286-T1290 WeakPolarHBondContact O-CG2 3.36Å; I1286-T1290 PolarHBondContact O-N 3.12Å; I1286-T1290 PolarHBondContact O-OG1 3.05Å; I1286-W1325 HydrophobicContact CB-CE3 4.32Å; I1286-W1325 HydrophobicContact CB-CZ3 4.44Å; I1286-W1325 HydrophobicContact CD1-CD2 4.37Å; I1286-W1325 HydrophobicContact CD1-CE3 3.83Å; I1286-W1325 HydrophobicContact CD1-CH2 3.93Å; I1286-W1325 VanDerWaalsContact CD1-CH2 3.5Å; I1286-W1325 HydrophobicContact CD1-CZ2 4Å; I1286-W1325 HydrophobicContact CD1-CZ3 3.37Å; I1286-W1325 HydrophobicContact CG1-CD2 4.05Å; I1286-W1325 HydrophobicContact CG1-CE3 3.61Å; I1286-W1325 HydrophobicContact CG1-CH2 4.35Å; I1286-W1325 HydrophobicContact CG1-CZ3 3.74Å; I1286-W1325 HydrophobicContact CG2-CB 3.8Å; I1286-W1325 HydrophobicContact CG2-CD2 3.43Å; I1286-W1325 VanDerWaalsContact CG2-CD2 3.43Å; I1286-W1325 HydrophobicContact CG2-CE3 3.7Å; I1286-W1325 HydrophobicContact CG2-CG 3.53Å; I1286-W1325 HydrophobicContact CG2-CZ3 4.11Å |
| 1287 | E | 43.2 | Very low | 44.3 | Very low | 93.4 Ų | 93.4 | 59.7 Ų | 59.7 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.9 | -73.1 | 179.8 | 171.4 | 0 | 0 | 111.7 | W1262 R1283 S1284 A1289 T1290 V1291 | W1262-E1287 HydrophobicContact CD2-CG 3.85Å; W1262-E1287 HydrophobicContact CE3-CG 3.62Å; W1262-E1287 HydrophobicContact CG-CG 4.48Å; W1262-E1287 HydrophobicContact CH2-CG 4.1Å; W1262-E1287 HydrophobicContact CZ2-CG 4.29Å; W1262-E1287 HydrophobicContact CZ3-CG 3.75Å; R1283-E1287 VanDerWaalsContact O-CB 3.25Å; R1283-E1287 WeakPolarHBondContact O-CB 3.4Å; R1283-E1287 VanDerWaalsContact O-CG 3.3Å; R1283-E1287 WeakPolarHBondContact O-CG 3.4Å; R1283-E1287 PolarHBondContact O-N 3.33Å; S1284-E1287 PolarHBondContact O-N 3.45Å; S1284-E1287 PolarHBondContact OG-N 3.06Å; S1284-E1287 VanDerWaalsContact OG-N 3.08Å; E1287-A1289 VanDerWaalsContact C-N 3.26Å; E1287-A1289 PolarHBondContact O-N 3.15Å; E1287-T1290 WeakPolarHBondContact CA-OG1 3.18Å; E1287-T1290 PolarHBondContact O-N 3.15Å; E1287-T1290 PolarHBondContact O-OG1 3.04Å; E1287-T1290 VanDerWaalsContact O-OG1 3.1Å; E1287-V1291 WeakPolarHBondContact O-CB 3.34Å; E1287-V1291 VanDerWaalsContact O-CG2 3.26Å; E1287-V1291 WeakPolarHBondContact O-CG2 3.33Å; E1287-V1291 PolarHBondContact O-N 3.15Å |
| 1288 | A | 41.5 | Very low | 44.1 | Very low | 48.2 Ų | 48.2 | 62.2 Ų | 62.2 | 40% | 0.398 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1284 I1286 T1290 A1292 | S1284-A1288 VanDerWaalsContact O-CB 3.24Å; S1284-A1288 WeakPolarHBondContact O-CB 3.33Å; S1284-A1288 PolarHBondContact O-N 3.05Å; I1286-A1288 PolarHBondContact O-N 3.31Å; I1286-A1288 VanDerWaalsContact O-N 3.16Å; A1288-T1290 PolarHBondContact O-N 3.36Å; A1288-A1292 VanDerWaalsContact O-CB 3.27Å; A1288-A1292 WeakPolarHBondContact O-CB 3.32Å; A1288-A1292 PolarHBondContact O-N 3.14Å |
| 1289 | A | 43.6 | Very low | 44 | Very low | 40.6 Ų | 40.6 | 65 Ų | 65 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1285 I1286 E1287 A1292 A1293 P1329 | S1285-A1289 WeakPolarHBondContact O-CB 3.33Å; S1285-A1289 PolarHBondContact O-N 3.03Å; I1286-A1289 WeakPolarHBondContact O-CA 3.4Å; I1286-A1289 WeakPolarHBondContact O-CB 3.45Å; I1286-A1289 PolarHBondContact O-N 3.28Å; E1287-A1289 VanDerWaalsContact C-N 3.26Å; E1287-A1289 PolarHBondContact O-N 3.15Å; A1289-A1292 PolarHBondContact O-N 3.02Å; A1289-A1293 VanDerWaalsContact O-CB 3.27Å; A1289-A1293 WeakPolarHBondContact O-CB 3.42Å; A1289-A1293 PolarHBondContact O-N 3.17Å; A1289-P1329 HydrophobicContact CB-CG 3.68Å |
| 1290 | T | 43.8 | Very low | 43.9 | Very low | 50.8 Ų | 50.8 | 66.8 Ų | 66.8 | 31% | 0.312 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | W1262 I1286 E1287 A1288 A1292 A1293 A1294 W1325 P1329 | W1262-T1290 PolarHBondContact NE1-OG1 3.12Å; I1286-T1290 HydrophobicContact CG2-CG2 4.37Å; I1286-T1290 WeakPolarHBondContact O-CB 3.28Å; I1286-T1290 VanDerWaalsContact O-CG2 3.28Å; I1286-T1290 WeakPolarHBondContact O-CG2 3.36Å; I1286-T1290 PolarHBondContact O-N 3.12Å; I1286-T1290 PolarHBondContact O-OG1 3.05Å; E1287-T1290 WeakPolarHBondContact CA-OG1 3.18Å; E1287-T1290 PolarHBondContact O-N 3.15Å; E1287-T1290 PolarHBondContact O-OG1 3.04Å; E1287-T1290 VanDerWaalsContact O-OG1 3.1Å; A1288-T1290 PolarHBondContact O-N 3.36Å; T1290-A1292 VanDerWaalsContact C-N 3.28Å; T1290-A1293 PolarHBondContact O-N 3.23Å; T1290-A1294 VanDerWaalsContact O-CB 3.25Å; T1290-A1294 WeakPolarHBondContact O-CB 3.33Å; T1290-A1294 PolarHBondContact O-N 3.13Å; T1290-W1325 HydrophobicContact CG2-CB 3.57Å; T1290-W1325 WeakPolarHBondContact CG2-O 3.31Å; T1290-P1329 HydrophobicContact CG2-CB 4.22Å; T1290-P1329 HydrophobicContact CG2-CG 3.78Å |
| 1291 | V | 45.1 | Very low | 43.5 | Very low | 86.4 Ų | 86.4 | 68.4 Ų | 68.4 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 172.8 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | E1287 A1293 A1294 A1295 | E1287-V1291 WeakPolarHBondContact O-CB 3.34Å; E1287-V1291 VanDerWaalsContact O-CG2 3.26Å; E1287-V1291 WeakPolarHBondContact O-CG2 3.33Å; E1287-V1291 PolarHBondContact O-N 3.15Å; V1291-A1293 PolarHBondContact O-N 3.5Å; V1291-A1294 PolarHBondContact O-N 2.97Å; V1291-A1295 WeakPolarHBondContact O-CB 3.34Å; V1291-A1295 PolarHBondContact O-N 3.09Å |
| 1292 | A | 43 | Very low | 43 | Very low | 51.6 Ų | 51.6 | 70 Ų | 70 | 43% | 0.426 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1288 A1289 T1290 A1294 A1295 A1296 | A1288-A1292 VanDerWaalsContact O-CB 3.27Å; A1288-A1292 WeakPolarHBondContact O-CB 3.32Å; A1288-A1292 PolarHBondContact O-N 3.14Å; A1289-A1292 PolarHBondContact O-N 3.02Å; T1290-A1292 VanDerWaalsContact C-N 3.28Å; A1292-A1294 VanDerWaalsContact C-N 3.31Å; A1292-A1294 PolarHBondContact O-N 3.2Å; A1292-A1295 PolarHBondContact O-N 3.19Å; A1292-A1296 WeakPolarHBondContact O-CB 3.36Å; A1292-A1296 PolarHBondContact O-N 3.41Å |
| 1293 | A | 43.1 | Very low | 42.7 | Very low | 35.4 Ų | 35.4 | 79.9 Ų | 79.9 | 29% | 0.293 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1289 T1290 V1291 A1295 A1296 L1297 P1328 | A1289-A1293 VanDerWaalsContact O-CB 3.27Å; A1289-A1293 WeakPolarHBondContact O-CB 3.42Å; A1289-A1293 PolarHBondContact O-N 3.17Å; T1290-A1293 PolarHBondContact O-N 3.23Å; V1291-A1293 PolarHBondContact O-N 3.5Å; A1293-A1295 VanDerWaalsContact C-N 3.34Å; A1293-A1295 PolarHBondContact O-N 2.87Å; A1293-A1296 PolarHBondContact O-N 2.95Å; A1293-L1297 WeakPolarHBondContact O-CB 3.33Å; A1293-L1297 VanDerWaalsContact O-CG 3.3Å; A1293-L1297 WeakPolarHBondContact O-CG 3.39Å; A1293-L1297 PolarHBondContact O-N 3.19Å; A1293-L1297 VanDerWaalsContact O-N 3.14Å; A1293-P1328 HydrophobicContact CB-CG 4.25Å |
| 1294 | A | 42.8 | Very low | 42.6 | Very low | 43.2 Ų | 43.2 | 78.8 Ų | 78.8 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1290 V1291 A1292 L1297 S1298 R1331 | T1290-A1294 VanDerWaalsContact O-CB 3.25Å; T1290-A1294 WeakPolarHBondContact O-CB 3.33Å; T1290-A1294 PolarHBondContact O-N 3.13Å; V1291-A1294 PolarHBondContact O-N 2.97Å; A1292-A1294 VanDerWaalsContact C-N 3.31Å; A1292-A1294 PolarHBondContact O-N 3.2Å; A1294-L1297 PolarHBondContact O-N 3.39Å; A1294-S1298 WeakPolarHBondContact O-CB 3.42Å; A1294-S1298 PolarHBondContact O-N 3.12Å; A1294-S1298 VanDerWaalsContact O-N 3.15Å; A1294-S1298 PolarHBondContact O-OG 3.12Å; A1294-S1298 VanDerWaalsContact O-OG 3.06Å; A1294-R1331 PolarHBondContact O-NH2 3.33Å |
| 1295 | A | 42.5 | Very low | 42.1 | Very low | 57.4 Ų | 57.4 | 83.8 Ų | 83.8 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1291 A1292 A1293 L1297 S1298 S1299 | V1291-A1295 WeakPolarHBondContact O-CB 3.34Å; V1291-A1295 PolarHBondContact O-N 3.09Å; A1292-A1295 PolarHBondContact O-N 3.19Å; A1293-A1295 VanDerWaalsContact C-N 3.34Å; A1293-A1295 PolarHBondContact O-N 2.87Å; A1295-L1297 PolarHBondContact O-N 3.21Å; A1295-S1298 WeakPolarHBondContact O-CB 3.37Å; A1295-S1298 PolarHBondContact O-N 3.03Å; A1295-S1298 VanDerWaalsContact O-N 3.12Å; A1295-S1299 PolarHBondContact O-N 3.17Å; A1295-S1299 VanDerWaalsContact O-N 3.12Å; A1295-S1299 PolarHBondContact O-OG 3.12Å |
| 1296 | A | 44.4 | Very low | 41.9 | Very low | 59.2 Ų | 59.2 | 86.9 Ų | 86.9 | 49% | 0.489 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.9 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1292 A1293 S1298 S1299 S1300 | A1292-A1296 WeakPolarHBondContact O-CB 3.36Å; A1292-A1296 PolarHBondContact O-N 3.41Å; A1293-A1296 PolarHBondContact O-N 2.95Å; A1296-S1298 VanDerWaalsContact C-N 3.28Å; A1296-S1298 PolarHBondContact O-N 2.94Å; A1296-S1299 WeakPolarHBondContact CA-OG 3.24Å; A1296-S1299 PolarHBondContact O-N 3.19Å; A1296-S1299 VanDerWaalsContact O-N 3.11Å; A1296-S1299 PolarHBondContact O-OG 2.9Å; A1296-S1299 VanDerWaalsContact O-OG 3.1Å; A1296-S1300 PolarHBondContact O-N 2.7Å |
| 1297 | L | 45.5 | Very low | 41.5 | Very low | 114.6 Ų | 114.6 | 91.1 Ų | 91.1 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67 | -28.1 | 175 | -73.5 | 164.8 | 0 | 0 | 0 | 112.9 | A1293 A1294 A1295 S1299 S1300 P1328 R1331 | A1293-L1297 WeakPolarHBondContact O-CB 3.33Å; A1293-L1297 VanDerWaalsContact O-CG 3.3Å; A1293-L1297 WeakPolarHBondContact O-CG 3.39Å; A1293-L1297 PolarHBondContact O-N 3.19Å; A1293-L1297 VanDerWaalsContact O-N 3.14Å; A1294-L1297 PolarHBondContact O-N 3.39Å; A1295-L1297 PolarHBondContact O-N 3.21Å; L1297-S1299 VanDerWaalsContact C-N 3.32Å; L1297-S1299 PolarHBondContact O-N 3.29Å; L1297-S1300 PolarHBondContact O-N 3.24Å; L1297-S1300 PolarHBondContact O-OG 3.06Å; L1297-P1328 HydrophobicContact CD1-CG 3.56Å; L1297-R1331 PolarHBondContact O-NH1 3.04Å |
| 1298 | S | 43 | Very low | 41.4 | Very low | 85.8 Ų | 85.8 | 93.3 Ų | 93.3 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.5 | -24 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 113 | A1294 A1295 A1296 S1300 T1301 R1331 | A1294-S1298 WeakPolarHBondContact O-CB 3.42Å; A1294-S1298 PolarHBondContact O-N 3.12Å; A1294-S1298 VanDerWaalsContact O-N 3.15Å; A1294-S1298 PolarHBondContact O-OG 3.12Å; A1294-S1298 VanDerWaalsContact O-OG 3.06Å; A1295-S1298 WeakPolarHBondContact O-CB 3.37Å; A1295-S1298 PolarHBondContact O-N 3.03Å; A1295-S1298 VanDerWaalsContact O-N 3.12Å; A1296-S1298 VanDerWaalsContact C-N 3.28Å; A1296-S1298 PolarHBondContact O-N 2.94Å; S1298-S1300 VanDerWaalsContact C-N 3.33Å; S1298-S1300 PolarHBondContact O-N 2.79Å; S1298-T1301 PolarHBondContact O-OG1 3.41Å; S1298-R1331 PolarHBondContact OG-NH2 3.23Å |
| 1299 | S | 43.2 | Very low | 41 | Very low | 92.2 Ų | 92.2 | 101.8 Ų | 101.8 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.3 | -13.7 | 178.3 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | A1295 A1296 L1297 T1301 | A1295-S1299 PolarHBondContact O-N 3.17Å; A1295-S1299 VanDerWaalsContact O-N 3.12Å; A1295-S1299 PolarHBondContact O-OG 3.12Å; A1296-S1299 WeakPolarHBondContact CA-OG 3.24Å; A1296-S1299 PolarHBondContact O-N 3.19Å; A1296-S1299 VanDerWaalsContact O-N 3.11Å; A1296-S1299 PolarHBondContact O-OG 2.9Å; A1296-S1299 VanDerWaalsContact O-OG 3.1Å; L1297-S1299 VanDerWaalsContact C-N 3.32Å; L1297-S1299 PolarHBondContact O-N 3.29Å; S1299-T1301 VanDerWaalsContact C-N 3.31Å; S1299-T1301 PolarHBondContact O-N 3.28Å |
| 1300 | S | 42.1 | Very low | 40.5 | Very low | 85.8 Ų | 85.8 | 105.4 Ų | 105.4 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 4.5 | -174.1 | 63 | 0 | 0 | 0 | 0 | 115.5 | A1296 L1297 S1298 | A1296-S1300 PolarHBondContact O-N 2.7Å; L1297-S1300 PolarHBondContact O-N 3.24Å; L1297-S1300 PolarHBondContact O-OG 3.06Å; S1298-S1300 VanDerWaalsContact C-N 3.33Å; S1298-S1300 PolarHBondContact O-N 2.79Å |
| 1301 | T | 38 | Very low | 39.9 | Very low | 117.8 Ų | 117.8 | 109.1 Ų | 109.1 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | trans | -114.9 | 54.3 | -175.1 | 51.5 | 0 | 0 | 0 | 0 | 114 | S1298 S1299 | S1298-T1301 PolarHBondContact O-OG1 3.41Å; S1299-T1301 VanDerWaalsContact C-N 3.31Å; S1299-T1301 PolarHBondContact O-N 3.28Å | ||
| 1302 | S | 37.1 | Very low | 39.2 | Very low | 94.4 Ų | 94.4 | 110.2 Ų | 110.2 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | trans | -148.3 | 129.9 | 164.5 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1303 | R | 40.6 | Very low | 38.6 | Very low | 250.4 Ų | 250.4 | 115.7 Ų | 115.7 | 95% | 0.945 | 69% | 0.691 | S | S | * | * | trans | 71.7 | 140.2 | 177.1 | -54.8 | 168.6 | 149.7 | -177.2 | -5.5 | 115.8 | ||||
| 1304 | G | 37.8 | Very low | 38 | Very low | 74.6 Ų | 74.6 | 120.5 Ų | 120.5 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | cis | 160.1 | 102.2 | 34.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1306 | G1304-S1306 PolarHBondContact O-N 2.68Š| ||
| 1305 | D | 34.2 | Very low | 37.3 | Very low | 162.4 Ų | 162.4 | 122.6 Ų | 122.6 | 87% | 0.868 | 73% | 0.734 | S | S | * | * | trans | -54.8 | 123.5 | 173.9 | -172.3 | 22.6 | 0 | 0 | 0 | 115.7 | ||||
| 1306 | S | 40.6 | Very low | 36.6 | Very low | 112.2 Ų | 112.2 | 125.7 Ų | 125.7 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 179 | 139.4 | 152.1 | 49 | 0 | 0 | 0 | 0 | 113.4 | G1304 | G1304-S1306 PolarHBondContact O-N 2.68Š| ||
| 1307 | D | 37.1 | Very low | 35.7 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -72.1 | 145.4 | 178.8 | -86.3 | -59.5 | 0 | 0 | 0 | 117.7 | ||||
| 1308 | V | 39.5 | Very low | 34.9 | Very low | 138.4 Ų | 138.4 | 128.8 Ų | 128.8 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | 167.1 | 130.2 | 140.1 | 174.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1309 | R | 34 | Very low | 34.1 | Very low | 227.8 Ų | 227.8 | 127.7 Ų | 127.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -108.9 | 128.7 | 171 | -149.8 | -177.6 | -171.7 | 171.8 | 2.2 | 115.9 | ||||
| 1310 | T | 32.7 | Very low | 33.3 | Very low | 116.6 Ų | 116.6 | 131.3 Ų | 131.3 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | 110.7 | 123.6 | 135.3 | -40.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1311 | T | 31.4 | Very low | 32.6 | Very low | 128.2 Ų | 128.2 | 130.1 Ų | 130.1 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | 54.9 | 122.6 | 150.1 | 51.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1312 | S | 30.9 | Very low | 32.3 | Very low | 109.8 Ų | 109.8 | 129.8 Ų | 129.8 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | 173.7 | 150.5 | 103.3 | 52 | 0 | 0 | 0 | 0 | 113.8 | T1314 | S1312-T1314 PolarHBondContact O-N 3.37Å; S1312-T1314 VanDerWaalsContact O-N 3.14Å | |||
| 1313 | N | 29.4 | Very low | 32.1 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -76.3 | 106.8 | 174.6 | -74.5 | -5.7 | 0 | 0 | 0 | 113.9 | ||||
| 1314 | T | 30.6 | Very low | 32.1 | Very low | 136.6 Ų | 136.6 | 120 Ų | 120 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -147.8 | 131.1 | 148.1 | -6.3 | 0 | 0 | 0 | 0 | 109.7 | S1312 | S1312-T1314 PolarHBondContact O-N 3.37Å; S1312-T1314 VanDerWaalsContact O-N 3.14Å | ||
| 1315 | A | 27.8 | Very low | 32.5 | Very low | 88.2 Ų | 88.2 | 120.2 Ų | 120.2 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | trans | -78.3 | 138.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | S1317 | A1315-S1317 PolarHBondContact O-N 3.15Å; A1315-S1317 VanDerWaalsContact O-N 3.11Å | ||
| 1316 | P | 29.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | trans | -87.1 | 115 | 160.9 | 29.6 | -27.1 | 0 | 0 | 0 | 111.3 | S1318 | P1316-S1318 VanDerWaalsContact C-N 3.3Å; P1316-S1318 PolarHBondContact O-N 3.03Å | ||
| 1317 | S | 25.7 | Very low | 32.9 | Very low | 110.8 Ų | 110.8 | 116.2 Ų | 116.2 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | trans | -59.5 | 117.8 | 163.1 | 37.3 | 0 | 0 | 0 | 0 | 112.3 | A1315 G1319 | A1315-S1317 PolarHBondContact O-N 3.15Å; A1315-S1317 VanDerWaalsContact O-N 3.11Å; S1317-G1319 PolarHBondContact O-N 3.08Å | ||
| 1318 | S | 28.5 | Very low | 33.2 | Very low | 128 Ų | 128 | 112.5 Ų | 112.5 | 90% | 0.895 | 67% | 0.669 | S | S | * | * | trans | -32 | 94.5 | 170.5 | -77.7 | 0 | 0 | 0 | 0 | 113.2 | P1316 | P1316-S1318 VanDerWaalsContact C-N 3.3Å; P1316-S1318 PolarHBondContact O-N 3.03Å | ||
| 1319 | G | 25.6 | Very low | 33.9 | Very low | 61.6 Ų | 61.6 | 109.9 Ų | 109.9 | 64% | 0.635 | 66% | 0.656 | S | S | * | * | trans | -125 | 91.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1317 G1321 | S1317-G1319 PolarHBondContact O-N 3.08Å; G1319-G1321 VanDerWaalsContact C-N 3.32Å; G1319-G1321 PolarHBondContact O-N 2.95Å | ||
| 1320 | N | 27.7 | Very low | 35 | Very low | 168.6 Ų | 168.6 | 102.3 Ų | 102.3 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | trans | -28.6 | 92.7 | 171 | -70.1 | 5 | 0 | 0 | 0 | 112.2 | I1322 | N1320-I1322 WeakPolarHBondContact O-CG1 3.47Å; N1320-I1322 PolarHBondContact O-N 3.33Å | ||
| 1321 | G | 26.7 | Very low | 36.3 | Very low | 60.8 Ų | 60.8 | 107.3 Ų | 107.3 | 63% | 0.627 | 64% | 0.64 | S | S | * | * | trans | -125.6 | 112.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1319 N1323 | G1319-G1321 VanDerWaalsContact C-N 3.32Å; G1319-G1321 PolarHBondContact O-N 2.95Å; G1321-N1323 PolarHBondContact O-N 3.4Å | ||
| 1322 | I | 31.1 | Very low | 37.9 | Very low | 110.8 Ų | 110.8 | 103.9 Ų | 103.9 | 57% | 0.568 | 62% | 0.615 | S | S | * | * | trans | -116.7 | 80.6 | -176.6 | -26.8 | 176.7 | 0 | 0 | 0 | 109.4 | D1149 N1320 F1324 L1327 | D1149-I1322 PolarHBondContact OD2-N 3.2Å; N1320-I1322 WeakPolarHBondContact O-CG1 3.47Å; N1320-I1322 PolarHBondContact O-N 3.33Å; I1322-F1324 PolarHBondContact O-N 3.29Å; I1322-L1327 HydrophobicContact CG2-CD1 4.03Å; I1322-L1327 HydrophobicContact CG2-CD2 4.03Å; I1322-L1327 HydrophobicContact CG2-CG 4.07Å; I1322-L1327 WeakPolarHBondContact O-CD1 3.12Å | ||
| 1323 | N | 34 | Very low | 40.4 | Very low | 105.6 Ų | 105.6 | 102.9 Ų | 102.9 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | trans | -55.8 | 138.5 | 175.9 | -64 | -30.7 | 0 | 0 | 0 | 112.7 | D1149 G1321 W1325 H1326 | D1149-N1323 VanDerWaalsContact OD1-CA 3.3Å; D1149-N1323 WeakPolarHBondContact OD1-CA 3.3Å; G1321-N1323 PolarHBondContact O-N 3.4Å; N1323-W1325 PolarHBondContact O-N 2.94Å; N1323-H1326 PolarHBondContact ND2-NE2 3.26Å; N1323-H1326 PolarHBondContact O-CD2 3.01Å; N1323-H1326 PolarHBondContact O-N 3.07Å | ||
| 1324 | F | 40.2 | Very low | 43.1 | Very low | 33.6 Ų | 33.6 | 97.5 Ų | 97.5 | 15% | 0.147 | 57% | 0.57 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -21.1 | -19.2 | -177.3 | -164.4 | -91.9 | 0 | 0 | 0 | 115.8 | D1099 L1100 P1101 V1147 D1149 L1150 M1153 P1154 L1157 R1158 I1322 | D1099-F1324 HydrophobicContact CB-CZ 4.3Å; D1099-F1324 WeakPolarHBondContact O-CZ 3.37Å; L1100-F1324 HydrophobicContact CD2-CE2 3.84Å; L1100-F1324 HydrophobicContact CD2-CZ 4.39Å; P1101-F1324 HydrophobicContact CB-CD2 4.27Å; P1101-F1324 HydrophobicContact CB-CE2 4.1Å; P1101-F1324 VanDerWaalsContact CD-CE1 3.44Å; P1101-F1324 VanDerWaalsContact CD-CZ 3.46Å; P1101-F1324 HydrophobicContact CG-CB 4.35Å; P1101-F1324 HydrophobicContact CG-CD1 4.07Å; P1101-F1324 HydrophobicContact CG-CD2 3.92Å; P1101-F1324 HydrophobicContact CG-CE1 4.08Å; P1101-F1324 HydrophobicContact CG-CE2 3.88Å; P1101-F1324 HydrophobicContact CG-CG 4.13Å; P1101-F1324 HydrophobicContact CG-CZ 4.04Å; V1147-F1324 HydrophobicContact CG2-CB 4.26Å; D1149-F1324 PolarHBondContact OD1-N 2.72Å; D1149-F1324 VanDerWaalsContact OD1-N 3.13Å; L1150-F1324 HydrophobicContact CB-CD2 4.43Å; L1150-F1324 HydrophobicContact CD1-CE2 4.47Å; M1153-F1324 HydrophobicContact CB-CE2 4.12Å; M1153-F1324 HydrophobicContact CG-CE2 4Å; P1154-F1324 HydrophobicContact CB-CB 4.23Å; P1154-F1324 HydrophobicContact CB-CD1 4.38Å; P1154-F1324 HydrophobicContact CB-CD2 3.88Å; P1154-F1324 HydrophobicContact CB-CE2 3.96Å; P1154-F1324 HydrophobicContact CB-CG 3.78Å; P1154-F1324 HydrophobicContact CG-CB 4.46Å; P1154-F1324 HydrophobicContact CG-CD2 3.85Å; P1154-F1324 HydrophobicContact CG-CE2 4.03Å; P1154-F1324 HydrophobicContact CG-CG 4.28Å; L1157-F1324 HydrophobicContact CD1-CE1 4.34Å; L1157-F1324 HydrophobicContact CD1-CE2 4.22Å; L1157-F1324 HydrophobicContact CD1-CZ 3.76Å; R1158-F1324 PolarHBondContact NH2-O 3.19Å; R1158-F1324 VanDerWaalsContact NH2-O 3.08Å; I1322-F1324 PolarHBondContact O-N 3.29Å |
| 1325 | W | 46.2 | Very low | 46 | Very low | 78.8 Ų | 78.8 | 92.6 Ų | 92.6 | 30% | 0.298 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.4 | -177.3 | -53 | 110.4 | 0 | 0 | 0 | 116.5 | L1100 P1101 V1147 P1154 I1286 T1290 N1323 L1327 | L1100-W1325 HydrophobicContact CD2-CH2 3.82Å; L1100-W1325 HydrophobicContact CD2-CZ2 3.77Å; L1100-W1325 VanDerWaalsContact CD2-CZ2 3.5Å; P1101-W1325 HydrophobicContact CG-CD2 4.19Å; P1101-W1325 HydrophobicContact CG-CE3 3.87Å; P1101-W1325 HydrophobicContact CG-CH2 3.33Å; P1101-W1325 HydrophobicContact CG-CZ2 3.92Å; P1101-W1325 HydrophobicContact CG-CZ3 3.42Å; P1101-W1325 VanDerWaalsContact CG-CZ3 3.42Å; V1147-W1325 HydrophobicContact CB-CH2 3.68Å; V1147-W1325 HydrophobicContact CB-CZ3 3.67Å; V1147-W1325 HydrophobicContact CG1-CH2 3.86Å; V1147-W1325 HydrophobicContact CG1-CZ3 4.37Å; V1147-W1325 HydrophobicContact CG2-CH2 3.59Å; V1147-W1325 HydrophobicContact CG2-CZ3 3.44Å; V1147-W1325 VanDerWaalsContact CG2-CZ3 3.44Å; P1154-W1325 HydrophobicContact CB-CB 4.11Å; I1286-W1325 HydrophobicContact CB-CE3 4.32Å; I1286-W1325 HydrophobicContact CB-CZ3 4.44Å; I1286-W1325 HydrophobicContact CD1-CD2 4.37Å; I1286-W1325 HydrophobicContact CD1-CE3 3.83Å; I1286-W1325 HydrophobicContact CD1-CH2 3.93Å; I1286-W1325 VanDerWaalsContact CD1-CH2 3.5Å; I1286-W1325 HydrophobicContact CD1-CZ2 4Å; I1286-W1325 HydrophobicContact CD1-CZ3 3.37Å; I1286-W1325 HydrophobicContact CG1-CD2 4.05Å; I1286-W1325 HydrophobicContact CG1-CE3 3.61Å; I1286-W1325 HydrophobicContact CG1-CH2 4.35Å; I1286-W1325 HydrophobicContact CG1-CZ3 3.74Å; I1286-W1325 HydrophobicContact CG2-CB 3.8Å; I1286-W1325 HydrophobicContact CG2-CD2 3.43Å; I1286-W1325 VanDerWaalsContact CG2-CD2 3.43Å; I1286-W1325 HydrophobicContact CG2-CE3 3.7Å; I1286-W1325 HydrophobicContact CG2-CG 3.53Å; I1286-W1325 HydrophobicContact CG2-CZ3 4.11Å; T1290-W1325 HydrophobicContact CG2-CB 3.57Å; T1290-W1325 WeakPolarHBondContact CG2-O 3.31Å; N1323-W1325 PolarHBondContact O-N 2.94Å; W1325-L1327 PolarHBondContact O-N 3.35Å |
| 1326 | H | 40.6 | Very low | 49 | Very low | 129 Ų | 129 | 91 Ų | 91 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -91.8 | -3.3 | -176.4 | -61.9 | -54.9 | 0 | 0 | 0 | 116.2 | N1323 P1328 | N1323-H1326 PolarHBondContact ND2-NE2 3.26Å; N1323-H1326 PolarHBondContact O-CD2 3.01Å; N1323-H1326 PolarHBondContact O-N 3.07Å; H1326-P1328 WeakPolarHBondContact O-CD 3.38Å |
| 1327 | L | 43.1 | Very low | 51.9 | Low | 62.4 Ų | 62.4 | 87.7 Ų | 87.7 | 33% | 0.327 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -94.6 | 117.9 | 176.6 | -73.5 | 145.5 | 0 | 0 | 0 | 109.3 | R1158 I1322 W1325 | R1158-L1327 VanDerWaalsContact CZ-CB 3.42Å; R1158-L1327 VanDerWaalsContact NH1-CB 3.35Å; I1322-L1327 HydrophobicContact CG2-CD1 4.03Å; I1322-L1327 HydrophobicContact CG2-CD2 4.03Å; I1322-L1327 HydrophobicContact CG2-CG 4.07Å; I1322-L1327 WeakPolarHBondContact O-CD1 3.12Å; W1325-L1327 PolarHBondContact O-N 3.35Å |
| 1328 | P | 42.4 | Very low | 55 | Low | 78.2 Ų | 78.2 | 82.5 Ų | 82.5 | 51% | 0.508 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 155.9 | 179.9 | 7.5 | -9.2 | 0 | 0 | 0 | 111.7 | R1158 A1293 L1297 H1326 V1330 | R1158-P1328 PolarHBondContact NH1-O 2.88Å; A1293-P1328 HydrophobicContact CB-CG 4.25Å; L1297-P1328 HydrophobicContact CD1-CG 3.56Å; H1326-P1328 WeakPolarHBondContact O-CD 3.38Å; P1328-V1330 PolarHBondContact O-N 3.04Å; P1328-V1330 VanDerWaalsContact O-N 3.12Å |
| 1329 | P | 53.7 | Low | 58.2 | Low | 84.6 Ų | 84.6 | 78.9 Ų | 78.9 | 55% | 0.549 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 125.8 | 173.7 | -5.1 | 8.2 | 0 | 0 | 0 | 110 | A1289 T1290 R1331 | A1289-P1329 HydrophobicContact CB-CG 3.68Å; T1290-P1329 HydrophobicContact CG2-CB 4.22Å; T1290-P1329 HydrophobicContact CG2-CG 3.78Å; P1329-R1331 PolarHBondContact O-N 3.21Å |
| 1330 | V | 58.6 | Low | 61.4 | Low | 67.2 Ų | 67.2 | 76.3 Ų | 76.3 | 41% | 0.407 | 40% | 0.397 | S | S | . | . | trans | -67.1 | 112.1 | 177.8 | -170.4 | 0 | 0 | 0 | 0 | 107.3 | R1158 N1160 P1328 K1332 | R1158-V1330 HydrophobicContact CB-CG2 4.24Å; N1160-V1330 HydrophobicContact CB-CG2 4.32Å; P1328-V1330 PolarHBondContact O-N 3.04Å; P1328-V1330 VanDerWaalsContact O-N 3.12Å; V1330-K1332 VanDerWaalsContact C-N 3.26Å; V1330-K1332 HydrophobicContact CB-CD 4.47Å; V1330-K1332 HydrophobicContact CB-CG 4.35Å; V1330-K1332 HydrophobicContact CG1-CD 4.38Å; V1330-K1332 HydrophobicContact CG1-CG 4.08Å; V1330-K1332 PolarHBondContact O-N 3.06Å | ||
| 1331 | R | 58.4 | Low | 64.6 | Low | 222.4 Ų | 222.4 | 68.3 Ų | 68.3 | 84% | 0.839 | 35% | 0.354 | S | S | * | . | trans | -73.2 | 69.1 | -179.2 | -66.3 | -173.1 | -176.9 | 157.3 | 0.7 | 111.3 | A1294 L1297 S1298 P1329 | A1294-R1331 PolarHBondContact O-NH2 3.33Å; L1297-R1331 PolarHBondContact O-NH1 3.04Å; S1298-R1331 PolarHBondContact OG-NH2 3.23Å; P1329-R1331 PolarHBondContact O-N 3.21Å | ||
| 1332 | K | 66.2 | Low | 67.9 | Low | 57.8 Ų | 57.8 | 65.4 Ų | 65.4 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | trans | -85.2 | 146.8 | 163.1 | -72.4 | 178.7 | 175.4 | -175.3 | 0 | 108.4 | A1159 D1161 V1330 T1336 R1337 S1340 | A1159-K1332 PolarHBondContact O-NZ 3.22Å; D1161-K1332 IonicContact OD1-NZ 3.17Å; D1161-K1332 PolarHBondContact OD1-NZ 3.02Å; D1161-K1332 VanDerWaalsContact OD1-NZ 3.14Å; V1330-K1332 VanDerWaalsContact C-N 3.26Å; V1330-K1332 HydrophobicContact CB-CD 4.47Å; V1330-K1332 HydrophobicContact CB-CG 4.35Å; V1330-K1332 HydrophobicContact CG1-CD 4.38Å; V1330-K1332 HydrophobicContact CG1-CG 4.08Å; V1330-K1332 PolarHBondContact O-N 3.06Å; K1332-T1336 HydrophobicContact CB-CG2 4.36Å; K1332-T1336 WeakPolarHBondContact CB-OG1 3.19Å; K1332-T1336 HydrophobicContact CD-CG2 4.04Å; K1332-T1336 HydrophobicContact CG-CG2 4.04Å; K1332-R1337 HydrophobicContact CB-CB 4.2Å; K1332-S1340 VanDerWaalsContact NZ-CB 3.32Å; K1332-S1340 PolarHBondContact NZ-OG 2.98Å | ||
| 1333 | D | 82.9 | Confident | 70.9 | Confident | 88 Ų | 88 | 64 Ų | 64 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | trans | -65.4 | 161.4 | 159.5 | 62.4 | -77.7 | 0 | 0 | 0 | 110.2 | L1335 T1336 R1337 | D1333-L1335 VanDerWaalsContact C-N 3.26Å; D1333-L1335 PolarHBondContact O-N 3.02Å; D1333-L1335 VanDerWaalsContact O-N 3.16Å; D1333-L1335 WeakPolarHBondContact OD2-CB 3.24Å; D1333-L1335 PolarHBondContact OD2-N 3.08Å; D1333-L1335 VanDerWaalsContact OD2-N 3.08Å; D1333-T1336 VanDerWaalsContact CG-OG1 3.29Å; D1333-T1336 PolarHBondContact O-N 3.03Å; D1333-T1336 PolarHBondContact O-OG1 3.43Å; D1333-T1336 WeakPolarHBondContact OD1-CB 3.39Å; D1333-T1336 WeakPolarHBondContact OD1-CG2 3.33Å; D1333-T1336 PolarHBondContact OD1-OG1 3.11Å; D1333-T1336 PolarHBondContact OD2-N 2.99Å; D1333-T1336 PolarHBondContact OD2-OG1 3.17Å; D1333-R1337 WeakPolarHBondContact O-CB 3.25Å; D1333-R1337 PolarHBondContact O-N 3.11Å | ||
| 1334 | E | 86.2 | Confident | 73.9 | Confident | 53 Ų | 53 | 59 Ų | 59 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -33.8 | -174.4 | -170.6 | 50.1 | -126.8 | 0 | 0 | 112.7 | E1206 W1211 R1337 R1338 | E1206-E1334 HydrophobicContact CG-CG 4.1Å; W1211-E1334 HydrophobicContact CH2-CB 3.92Å; W1211-E1334 HydrophobicContact CH2-CG 3.81Å; W1211-E1334 HydrophobicContact CZ3-CG 4.26Å; E1334-R1337 VanDerWaalsContact CD-CZ 3.4Å; E1334-R1337 WeakPolarHBondContact OE1-CD 3.12Å; E1334-R1337 IonicContact OE1-CZ 3.09Å; E1334-R1337 IonicContact OE1-NE 3.43Å; E1334-R1337 PolarHBondContact OE1-NE 3.08Å; E1334-R1337 VanDerWaalsContact OE1-NE 3.09Å; E1334-R1337 IonicContact OE1-NH1 3.68Å; E1334-R1337 PolarHBondContact OE1-NH1 2.99Å; E1334-R1337 IonicContact OE1-NH2 3.24Å; E1334-R1337 PolarHBondContact OE1-NH2 2.92Å; E1334-R1337 WeakPolarHBondContact OE2-CD 3.33Å; E1334-R1337 IonicContact OE2-CZ 3.31Å; E1334-R1337 IonicContact OE2-NE 3.35Å; E1334-R1337 PolarHBondContact OE2-NE 3.18Å; E1334-R1337 IonicContact OE2-NH1 3.39Å; E1334-R1337 PolarHBondContact OE2-NH1 3.02Å; E1334-R1337 VanDerWaalsContact OE2-NH1 3.14Å; E1334-R1337 IonicContact OE2-NH2 3.7Å; E1334-R1337 PolarHBondContact OE2-NH2 3.14Å; E1334-R1338 VanDerWaalsContact O-CB 3.3Å; E1334-R1338 WeakPolarHBondContact O-CB 3.31Å; E1334-R1338 PolarHBondContact O-N 2.97Å; E1334-R1338 VanDerWaalsContact O-N 3.12Å; E1334-R1338 IonicContact OE1-CZ 2.73Å; E1334-R1338 IonicContact OE1-NH1 3.99Å; E1334-R1338 PolarHBondContact OE1-NH1 2.9Å; E1334-R1338 IonicContact OE1-NH2 2.87Å; E1334-R1338 PolarHBondContact OE1-NH2 3.43Å |
| 1335 | L | 90.7 | Very high | 76.5 | Confident | 32.2 Ų | 32.2 | 57.4 Ų | 57.4 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.7 | -48.8 | 179.8 | 174.9 | 62.5 | 0 | 0 | 0 | 111.2 | W1211 K1214 D1333 R1337 R1338 I1339 | W1211-L1335 HydrophobicContact CD2-CD1 3.84Å; W1211-L1335 HydrophobicContact CE3-CB 4.46Å; W1211-L1335 HydrophobicContact CE3-CD1 3.63Å; W1211-L1335 HydrophobicContact CG-CD1 4.43Å; W1211-L1335 VanDerWaalsContact CH2-CA 3.43Å; W1211-L1335 HydrophobicContact CH2-CB 3.59Å; W1211-L1335 HydrophobicContact CH2-CD1 4.3Å; W1211-L1335 HydrophobicContact CH2-CG 4.45Å; W1211-L1335 VanDerWaalsContact CH2-N 3.31Å; W1211-L1335 HydrophobicContact CZ2-CB 3.88Å; W1211-L1335 HydrophobicContact CZ2-CD1 4.42Å; W1211-L1335 VanDerWaalsContact CZ3-CA 3.48Å; W1211-L1335 HydrophobicContact CZ3-CB 3.93Å; W1211-L1335 HydrophobicContact CZ3-CD1 3.88Å; W1211-L1335 HydrophobicContact CZ3-CG 4.48Å; K1214-L1335 HydrophobicContact CB-CD1 4.41Å; K1214-L1335 HydrophobicContact CD-CD1 4.39Å; K1214-L1335 HydrophobicContact CD-CD2 3.75Å; D1333-L1335 VanDerWaalsContact C-N 3.26Å; D1333-L1335 PolarHBondContact O-N 3.02Å; D1333-L1335 VanDerWaalsContact O-N 3.16Å; D1333-L1335 WeakPolarHBondContact OD2-CB 3.24Å; D1333-L1335 PolarHBondContact OD2-N 3.08Å; D1333-L1335 VanDerWaalsContact OD2-N 3.08Å; L1335-R1337 VanDerWaalsContact C-N 3.3Å; L1335-R1337 PolarHBondContact O-N 3.07Å; L1335-R1338 PolarHBondContact O-N 2.97Å; L1335-I1339 HydrophobicContact CD1-CD1 3.89Å; L1335-I1339 HydrophobicContact CD1-CG1 4.2Å; L1335-I1339 HydrophobicContact CG-CD1 3.87Å; L1335-I1339 WeakPolarHBondContact O-CB 3.45Å; L1335-I1339 VanDerWaalsContact O-CG1 3.29Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.37Å; L1335-I1339 PolarHBondContact O-N 2.99Å |
| 1336 | T | 91.3 | Very high | 78.8 | Confident | 56 Ų | 56 | 55 Ų | 55 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -34.6 | 175.5 | -15.5 | 0 | 0 | 0 | 0 | 111.8 | K1332 D1333 S1340 | K1332-T1336 HydrophobicContact CB-CG2 4.36Å; K1332-T1336 WeakPolarHBondContact CB-OG1 3.19Å; K1332-T1336 HydrophobicContact CD-CG2 4.04Å; K1332-T1336 HydrophobicContact CG-CG2 4.04Å; D1333-T1336 VanDerWaalsContact CG-OG1 3.29Å; D1333-T1336 PolarHBondContact O-N 3.03Å; D1333-T1336 PolarHBondContact O-OG1 3.43Å; D1333-T1336 WeakPolarHBondContact OD1-CB 3.39Å; D1333-T1336 WeakPolarHBondContact OD1-CG2 3.33Å; D1333-T1336 PolarHBondContact OD1-OG1 3.11Å; D1333-T1336 PolarHBondContact OD2-N 2.99Å; D1333-T1336 PolarHBondContact OD2-OG1 3.17Å; T1336-S1340 WeakPolarHBondContact O-CB 3.39Å; T1336-S1340 PolarHBondContact O-N 3.08Å; T1336-S1340 VanDerWaalsContact O-N 3.14Å; T1336-S1340 PolarHBondContact O-OG 2.83Å |
| 1337 | R | 90.2 | Very high | 81.4 | Confident | 51.6 Ų | 51.6 | 50.3 Ų | 50.3 | 20% | 0.195 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 171.7 | -171.2 | -174.9 | 90.7 | -169.8 | 4.4 | 111 | A1159 Q1202 F1261 K1332 D1333 E1334 L1335 S1340 S1341 | A1159-R1337 HydrophobicContact CB-CG 3.81Å; A1159-R1337 WeakPolarHBondContact CB-O 3.37Å; Q1202-R1337 VanDerWaalsContact OE1-CZ 3.32Å; F1261-R1337 VanDerWaalsContact CE2-NH1 3.28Å; F1261-R1337 VanDerWaalsContact CZ-NH2 3.31Å; K1332-R1337 HydrophobicContact CB-CB 4.2Å; D1333-R1337 WeakPolarHBondContact O-CB 3.25Å; D1333-R1337 PolarHBondContact O-N 3.11Å; E1334-R1337 VanDerWaalsContact CD-CZ 3.4Å; E1334-R1337 WeakPolarHBondContact OE1-CD 3.12Å; E1334-R1337 IonicContact OE1-CZ 3.09Å; E1334-R1337 IonicContact OE1-NE 3.43Å; E1334-R1337 PolarHBondContact OE1-NE 3.08Å; E1334-R1337 VanDerWaalsContact OE1-NE 3.09Å; E1334-R1337 IonicContact OE1-NH1 3.68Å; E1334-R1337 PolarHBondContact OE1-NH1 2.99Å; E1334-R1337 IonicContact OE1-NH2 3.24Å; E1334-R1337 PolarHBondContact OE1-NH2 2.92Å; E1334-R1337 WeakPolarHBondContact OE2-CD 3.33Å; E1334-R1337 IonicContact OE2-CZ 3.31Å; E1334-R1337 IonicContact OE2-NE 3.35Å; E1334-R1337 PolarHBondContact OE2-NE 3.18Å; E1334-R1337 IonicContact OE2-NH1 3.39Å; E1334-R1337 PolarHBondContact OE2-NH1 3.02Å; E1334-R1337 VanDerWaalsContact OE2-NH1 3.14Å; E1334-R1337 IonicContact OE2-NH2 3.7Å; E1334-R1337 PolarHBondContact OE2-NH2 3.14Å; L1335-R1337 VanDerWaalsContact C-N 3.3Å; L1335-R1337 PolarHBondContact O-N 3.07Å; R1337-S1340 WeakPolarHBondContact O-CB 3.38Å; R1337-S1340 PolarHBondContact O-N 3.19Å; R1337-S1340 VanDerWaalsContact O-N 3.12Å; R1337-S1341 PolarHBondContact O-N 3.06Å; R1337-S1341 PolarHBondContact O-OG 3.02Å |
| 1338 | R | 91.3 | Very high | 83.8 | Confident | 2.4 Ų | 2.4 | 47.4 Ų | 47.4 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.1 | -35.6 | -176.6 | -161.5 | 160.6 | -169.1 | -151.2 | -6.7 | 113.3 | C1199 A1200 P1201 E1206 W1211 L1215 E1334 L1335 S1340 S1341 Y1342 | C1199-R1338 PolarHBondContact O-NE 3.02Å; C1199-R1338 PolarHBondContact O-NH2 2.93Å; C1199-R1338 VanDerWaalsContact O-NH2 3.08Å; A1200-R1338 PolarHBondContact O-NE 2.97Å; A1200-R1338 PolarHBondContact O-NH2 3.43Å; P1201-R1338 VanDerWaalsContact CA-CZ 3.44Å; E1206-R1338 VanDerWaalsContact CB-NH1 3.35Å; E1206-R1338 PolarHBondContact O-NH1 3.16Å; E1206-R1338 IonicContact OE2-CZ 3.5Å; E1206-R1338 IonicContact OE2-NE 2.8Å; E1206-R1338 IonicContact OE2-NH1 3.45Å; E1206-R1338 PolarHBondContact OE2-NH1 3.26Å; E1206-R1338 IonicContact OE2-NH2 3.35Å; E1206-R1338 PolarHBondContact OE2-NH2 3.11Å; W1211-R1338 HydrophobicContact CZ3-CB 4.32Å; L1215-R1338 HydrophobicContact CD1-CG 4.31Å; L1215-R1338 HydrophobicContact CD2-CB 4.32Å; L1215-R1338 HydrophobicContact CD2-CG 4.16Å; E1334-R1338 VanDerWaalsContact O-CB 3.3Å; E1334-R1338 WeakPolarHBondContact O-CB 3.31Å; E1334-R1338 PolarHBondContact O-N 2.97Å; E1334-R1338 VanDerWaalsContact O-N 3.12Å; E1334-R1338 IonicContact OE1-CZ 2.73Å; E1334-R1338 IonicContact OE1-NH1 3.99Å; E1334-R1338 PolarHBondContact OE1-NH1 2.9Å; E1334-R1338 IonicContact OE1-NH2 2.87Å; E1334-R1338 PolarHBondContact OE1-NH2 3.43Å; L1335-R1338 PolarHBondContact O-N 2.97Å; R1338-S1340 VanDerWaalsContact C-N 3.31Å; R1338-S1340 PolarHBondContact O-N 3.12Å; R1338-S1341 WeakPolarHBondContact O-CB 3.4Å; R1338-S1341 PolarHBondContact O-N 3.01Å; R1338-S1341 VanDerWaalsContact O-N 3.13Å; R1338-Y1342 HydrophobicContact CG-CD2 4.32Å; R1338-Y1342 HydrophobicContact CG-CE2 4.08Å; R1338-Y1342 VanDerWaalsContact O-CD2 3.28Å; R1338-Y1342 WeakPolarHBondContact O-CD2 3.34Å; R1338-Y1342 PolarHBondContact O-N 2.96Å; R1338-Y1342 VanDerWaalsContact O-N 3.07Å |
| 1339 | I | 94.4 | Very high | 86.2 | Confident | 51.4 Ų | 51.4 | 43.7 Ų | 43.7 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58 | -45.9 | 169.2 | -71.6 | 167.2 | 0 | 0 | 0 | 110.6 | L1215 V1218 L1335 S1341 Y1342 R1343 | L1215-I1339 HydrophobicContact CD2-CB 4.38Å; L1215-I1339 HydrophobicContact CD2-CG1 3.68Å; V1218-I1339 HydrophobicContact CG2-CG2 4.26Å; L1335-I1339 HydrophobicContact CD1-CD1 3.89Å; L1335-I1339 HydrophobicContact CD1-CG1 4.2Å; L1335-I1339 HydrophobicContact CG-CD1 3.87Å; L1335-I1339 WeakPolarHBondContact O-CB 3.45Å; L1335-I1339 VanDerWaalsContact O-CG1 3.29Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.37Å; L1335-I1339 PolarHBondContact O-N 2.99Å; I1339-S1341 VanDerWaalsContact C-N 3.32Å; I1339-S1341 PolarHBondContact O-N 3.18Å; I1339-Y1342 PolarHBondContact O-N 3.14Å; I1339-R1343 PolarHBondContact O-N 3.09Å |
| 1340 | S | 93.8 | Very high | 88 | Confident | 7.2 Ų | 7.2 | 42.8 Ų | 42.8 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 177.2 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | A1159 D1161 K1332 T1336 R1337 R1338 Y1342 R1343 I1344 | A1159-S1340 VanDerWaalsContact O-CB 3.27Å; A1159-S1340 WeakPolarHBondContact O-CB 3.43Å; D1161-S1340 VanDerWaalsContact CG-OG 3.27Å; D1161-S1340 WeakPolarHBondContact OD1-CB 3.38Å; D1161-S1340 PolarHBondContact OD1-OG 3.18Å; K1332-S1340 VanDerWaalsContact NZ-CB 3.32Å; K1332-S1340 PolarHBondContact NZ-OG 2.98Å; T1336-S1340 WeakPolarHBondContact O-CB 3.39Å; T1336-S1340 PolarHBondContact O-N 3.08Å; T1336-S1340 VanDerWaalsContact O-N 3.14Å; T1336-S1340 PolarHBondContact O-OG 2.83Å; R1337-S1340 WeakPolarHBondContact O-CB 3.38Å; R1337-S1340 PolarHBondContact O-N 3.19Å; R1337-S1340 VanDerWaalsContact O-N 3.12Å; R1338-S1340 VanDerWaalsContact C-N 3.31Å; R1338-S1340 PolarHBondContact O-N 3.12Å; S1340-Y1342 PolarHBondContact O-N 3.15Å; S1340-R1343 PolarHBondContact O-N 3.15Å; S1340-I1344 WeakPolarHBondContact O-CB 3.32Å; S1340-I1344 WeakPolarHBondContact O-CD1 3.39Å; S1340-I1344 VanDerWaalsContact O-CG1 3.26Å; S1340-I1344 WeakPolarHBondContact O-CG1 3.38Å; S1340-I1344 PolarHBondContact O-N 3.12Å |
| 1341 | S | 94.6 | Very high | 89.4 | Confident | 1.2 Ų | 1.2 | 40 Ų | 40 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 112 | A1159 M1198 C1199 R1337 R1338 I1339 R1343 I1344 L1345 | A1159-S1341 WeakPolarHBondContact CB-OG 3.28Å; M1198-S1341 VanDerWaalsContact O-CB 3.24Å; M1198-S1341 WeakPolarHBondContact O-CB 3.4Å; M1198-S1341 PolarHBondContact O-OG 3.15Å; C1199-S1341 VanDerWaalsContact SG-C 3.58Å; C1199-S1341 VanDerWaalsContact SG-CB 3.59Å; R1337-S1341 PolarHBondContact O-N 3.06Å; R1337-S1341 PolarHBondContact O-OG 3.02Å; R1338-S1341 WeakPolarHBondContact O-CB 3.4Å; R1338-S1341 PolarHBondContact O-N 3.01Å; R1338-S1341 VanDerWaalsContact O-N 3.13Å; I1339-S1341 VanDerWaalsContact C-N 3.32Å; I1339-S1341 PolarHBondContact O-N 3.18Å; S1341-R1343 VanDerWaalsContact C-N 3.33Å; S1341-R1343 PolarHBondContact O-N 3.08Å; S1341-I1344 PolarHBondContact O-N 3.19Å; S1341-L1345 PolarHBondContact O-N 3.08Å; S1341-L1345 VanDerWaalsContact O-N 3.07Å |
| 1342 | Y | 95.9 | Very high | 90.8 | Very high | 0.4 Ų | 0.4 | 36.8 Ų | 36.8 | 0% | 0.002 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 175 | -84.5 | -135.3 | 0 | 0 | 0 | 111.3 | C1199 L1215 L1219 R1338 I1339 S1340 L1345 R1346 V1384 | C1199-Y1342 HydrophobicContact CB-CD2 3.97Å; C1199-Y1342 HydrophobicContact CB-CE2 3.72Å; C1199-Y1342 VanDerWaalsContact SG-CD2 3.54Å; C1199-Y1342 WeakPolarHBondContact SG-CD2 3.21Å; L1215-Y1342 HydrophobicContact CB-CD1 3.99Å; L1215-Y1342 HydrophobicContact CB-CE1 3.71Å; L1215-Y1342 HydrophobicContact CD1-CE1 4.46Å; L1215-Y1342 HydrophobicContact CD1-CE2 4.43Å; L1215-Y1342 HydrophobicContact CD2-CD1 4.15Å; L1215-Y1342 HydrophobicContact CD2-CD2 4.11Å; L1215-Y1342 HydrophobicContact CD2-CE1 4.31Å; L1215-Y1342 HydrophobicContact CD2-CE2 4.26Å; L1215-Y1342 HydrophobicContact CD2-CG 4.08Å; L1215-Y1342 HydrophobicContact CG-CE1 4.39Å; L1215-Y1342 WeakPolarHBondContact O-CD1 3.36Å; L1219-Y1342 HydrophobicContact CD1-CD1 3.53Å; L1219-Y1342 VanDerWaalsContact CD1-CD1 3.49Å; L1219-Y1342 HydrophobicContact CD1-CE1 3.69Å; L1219-Y1342 HydrophobicContact CD1-CG 4.43Å; L1219-Y1342 HydrophobicContact CD2-CD1 4.36Å; L1219-Y1342 HydrophobicContact CG-CD1 3.8Å; L1219-Y1342 HydrophobicContact CG-CE1 4.42Å; R1338-Y1342 HydrophobicContact CG-CD2 4.32Å; R1338-Y1342 HydrophobicContact CG-CE2 4.08Å; R1338-Y1342 VanDerWaalsContact O-CD2 3.28Å; R1338-Y1342 WeakPolarHBondContact O-CD2 3.34Å; R1338-Y1342 PolarHBondContact O-N 2.96Å; R1338-Y1342 VanDerWaalsContact O-N 3.07Å; I1339-Y1342 PolarHBondContact O-N 3.14Å; S1340-Y1342 PolarHBondContact O-N 3.15Å; Y1342-L1345 PolarHBondContact O-N 2.94Å; Y1342-R1346 PolarHBondContact O-N 3.06Å; Y1342-V1384 HydrophobicContact CD2-CG2 4.35Å; Y1342-V1384 HydrophobicContact CE1-CG2 4.28Å; Y1342-V1384 HydrophobicContact CE2-CG2 4.06Å; Y1342-V1384 HydrophobicContact CG-CG2 4.49Å |
| 1343 | R | 95.1 | Very high | 91.8 | Very high | 80.6 Ų | 80.6 | 35.6 Ų | 35.6 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66 | -39.5 | 176.2 | -170.1 | 177.8 | -179.4 | -142.2 | -0.5 | 112.4 | D1161 E1165 V1218 I1339 S1340 S1341 R1346 L1347 | D1161-R1343 HydrophobicContact CB-CB 4.38Å; D1161-R1343 HydrophobicContact CB-CG 4.43Å; D1161-R1343 WeakPolarHBondContact OD2-CD 3.31Å; D1161-R1343 IonicContact OD2-CZ 2.94Å; D1161-R1343 IonicContact OD2-NE 2.66Å; D1161-R1343 IonicContact OD2-NH1 3.49Å; D1161-R1343 PolarHBondContact OD2-NH1 2.86Å; E1165-R1343 IonicContact OE1-CZ 3Å; E1165-R1343 IonicContact OE1-NH2 3Å; E1165-R1343 PolarHBondContact OE1-NH2 3.31Å; E1165-R1343 IonicContact OE2-CZ 3.31Å; E1165-R1343 VanDerWaalsContact OE2-CZ 3.26Å; E1165-R1343 IonicContact OE2-NH1 3.24Å; E1165-R1343 PolarHBondContact OE2-NH1 2.73Å; E1165-R1343 IonicContact OE2-NH2 3.09Å; E1165-R1343 PolarHBondContact OE2-NH2 3.26Å; V1218-R1343 HydrophobicContact CG1-CB 4.02Å; I1339-R1343 PolarHBondContact O-N 3.09Å; S1340-R1343 PolarHBondContact O-N 3.15Å; S1341-R1343 VanDerWaalsContact C-N 3.33Å; S1341-R1343 PolarHBondContact O-N 3.08Å; R1343-R1346 PolarHBondContact O-N 2.92Å; R1343-L1347 HydrophobicContact CG-CD1 4.08Å; R1343-L1347 HydrophobicContact CG-CG 4.43Å; R1343-L1347 WeakPolarHBondContact O-CB 3.37Å; R1343-L1347 VanDerWaalsContact O-CG 3.28Å; R1343-L1347 WeakPolarHBondContact O-CG 3.46Å; R1343-L1347 PolarHBondContact O-N 2.84Å |
| 1344 | I | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 176.4 | -75.2 | 161 | 0 | 0 | 0 | 111.4 | I1156 A1159 D1161 V1164 A1195 S1340 S1341 R1346 L1347 L1348 | I1156-I1344 HydrophobicContact CB-CG2 4.32Å; I1156-I1344 HydrophobicContact CG1-CG2 3.83Å; I1156-I1344 HydrophobicContact CG2-CG2 4.09Å; A1159-I1344 HydrophobicContact CB-CD1 4.48Å; D1161-I1344 HydrophobicContact CB-CD1 4.25Å; D1161-I1344 HydrophobicContact CB-CG1 3.87Å; V1164-I1344 HydrophobicContact CB-CG1 4.37Å; V1164-I1344 HydrophobicContact CG1-CG2 4.49Å; V1164-I1344 HydrophobicContact CG2-CD1 4.47Å; V1164-I1344 HydrophobicContact CG2-CG1 4.22Å; A1195-I1344 HydrophobicContact CB-CG2 4.22Å; S1340-I1344 WeakPolarHBondContact O-CB 3.32Å; S1340-I1344 WeakPolarHBondContact O-CD1 3.39Å; S1340-I1344 VanDerWaalsContact O-CG1 3.26Å; S1340-I1344 WeakPolarHBondContact O-CG1 3.38Å; S1340-I1344 PolarHBondContact O-N 3.12Å; S1341-I1344 PolarHBondContact O-N 3.19Å; I1344-R1346 VanDerWaalsContact C-N 3.27Å; I1344-R1346 PolarHBondContact O-N 3.15Å; I1344-L1347 PolarHBondContact O-N 3.15Å; I1344-L1348 HydrophobicContact CG2-CD1 3.99Å; I1344-L1348 VanDerWaalsContact O-CG 3.3Å; I1344-L1348 WeakPolarHBondContact O-CG 3.33Å; I1344-L1348 PolarHBondContact O-N 3.14Å |
| 1345 | L | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.9 | -45.5 | 177.2 | 179.6 | 70.7 | 0 | 0 | 0 | 111.1 | L1192 A1195 V1196 S1341 Y1342 L1348 V1349 V1384 F1387 | L1192-L1345 HydrophobicContact CD2-CD1 4.15Å; A1195-L1345 HydrophobicContact CB-CB 4.11Å; A1195-L1345 HydrophobicContact CB-CD1 3.83Å; V1196-L1345 HydrophobicContact CG2-CD1 4.02Å; V1196-L1345 HydrophobicContact CG2-CD2 4.47Å; S1341-L1345 PolarHBondContact O-N 3.08Å; S1341-L1345 VanDerWaalsContact O-N 3.07Å; Y1342-L1345 PolarHBondContact O-N 2.94Å; L1345-L1348 PolarHBondContact O-N 2.88Å; L1345-V1349 PolarHBondContact O-N 3.16Å; L1345-V1349 VanDerWaalsContact O-N 3.15Å; L1345-V1384 HydrophobicContact CD2-CB 4.15Å; L1345-V1384 HydrophobicContact CD2-CG1 3.43Å; L1345-V1384 VanDerWaalsContact CD2-CG1 3.43Å; L1345-V1384 HydrophobicContact CD2-CG2 3.8Å; L1345-F1387 HydrophobicContact CD2-CD1 4.19Å; L1345-F1387 HydrophobicContact CD2-CE1 4.46Å |
| 1346 | R | 94.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 177.8 | 178.9 | 174.9 | -178.8 | 146.9 | 17.5 | 112.4 | V1218 L1219 S1221 Y1342 R1343 I1344 L1348 V1349 E1350 F1387 | V1218-R1346 VanDerWaalsContact O-CD 3.26Å; V1218-R1346 WeakPolarHBondContact O-CD 3.3Å; V1218-R1346 PolarHBondContact O-NH1 3.2Å; L1219-R1346 HydrophobicContact CD2-CB 4.36Å; L1219-R1346 PolarHBondContact O-NH1 3.38Å; S1221-R1346 VanDerWaalsContact CB-NH1 3.34Å; S1221-R1346 PolarHBondContact O-NH1 3.02Å; S1221-R1346 PolarHBondContact O-NH2 2.89Å; S1221-R1346 PolarHBondContact OG-NH1 3.13Å; Y1342-R1346 PolarHBondContact O-N 3.06Å; R1343-R1346 PolarHBondContact O-N 2.92Å; I1344-R1346 VanDerWaalsContact C-N 3.27Å; I1344-R1346 PolarHBondContact O-N 3.15Å; R1346-L1348 VanDerWaalsContact C-N 3.26Å; R1346-L1348 PolarHBondContact O-N 3.09Å; R1346-V1349 PolarHBondContact O-N 2.98Å; R1346-V1349 VanDerWaalsContact O-N 3.11Å; R1346-E1350 HydrophobicContact CG-CG 4.25Å; R1346-E1350 WeakPolarHBondContact CG-OE2 3.35Å; R1346-E1350 IonicContact CZ-OE1 3.09Å; R1346-E1350 VanDerWaalsContact CZ-OE1 3.24Å; R1346-E1350 IonicContact CZ-OE2 3.42Å; R1346-E1350 VanDerWaalsContact NE-CD 3.29Å; R1346-E1350 IonicContact NE-OE1 2.96Å; R1346-E1350 PolarHBondContact NE-OE1 3.1Å; R1346-E1350 VanDerWaalsContact NE-OE1 3.12Å; R1346-E1350 IonicContact NE-OE2 3.07Å; R1346-E1350 PolarHBondContact NE-OE2 3.23Å; R1346-E1350 IonicContact NH2-OE1 2.94Å; R1346-E1350 PolarHBondContact NH2-OE1 2.99Å; R1346-E1350 IonicContact NH2-OE2 3.24Å; R1346-E1350 WeakPolarHBondContact O-CB 3.3Å; R1346-E1350 WeakPolarHBondContact O-CG 3.21Å; R1346-E1350 PolarHBondContact O-N 3.01Å; R1346-F1387 HydrophobicContact CB-CZ 4.29Å; R1346-F1387 HydrophobicContact CG-CE2 4.49Å; R1346-F1387 HydrophobicContact CG-CZ 4.19Å |
| 1347 | L | 94.2 | Very high | 91.6 | Very high | 31.4 Ų | 31.4 | 33.4 Ų | 33.4 | 16% | 0.164 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -34.8 | 177 | -75.6 | 165.9 | 0 | 0 | 0 | 112.6 | E1165 L1168 R1343 I1344 S1351 | E1165-L1347 HydrophobicContact CB-CD1 3.86Å; E1165-L1347 HydrophobicContact CB-CD2 4.38Å; E1165-L1347 HydrophobicContact CG-CD1 4.47Å; E1165-L1347 HydrophobicContact CG-CD2 4.24Å; L1168-L1347 HydrophobicContact CD1-CB 4.14Å; L1168-L1347 WeakPolarHBondContact CD1-O 3.45Å; R1343-L1347 HydrophobicContact CG-CD1 4.08Å; R1343-L1347 HydrophobicContact CG-CG 4.43Å; R1343-L1347 WeakPolarHBondContact O-CB 3.37Å; R1343-L1347 VanDerWaalsContact O-CG 3.28Å; R1343-L1347 WeakPolarHBondContact O-CG 3.46Å; R1343-L1347 PolarHBondContact O-N 2.84Å; I1344-L1347 PolarHBondContact O-N 3.15Å; L1347-S1351 VanDerWaalsContact O-CB 3.3Å; L1347-S1351 WeakPolarHBondContact O-CB 3.39Å; L1347-S1351 PolarHBondContact O-N 3.23Å; L1347-S1351 VanDerWaalsContact O-N 3.14Å |
| 1348 | L | 94.2 | Very high | 91.6 | Very high | 1.6 Ų | 1.6 | 31.2 Ų | 31.2 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 175.8 | -68.2 | 165.3 | 0 | 0 | 0 | 112.2 | L1152 I1156 L1168 L1191 L1192 A1195 I1344 L1345 R1346 L1354 | L1152-L1348 HydrophobicContact CD1-CD2 4.12Å; I1156-L1348 HydrophobicContact CD1-CD1 3.84Å; I1156-L1348 HydrophobicContact CD1-CD2 4.38Å; I1156-L1348 HydrophobicContact CG1-CD1 4.46Å; L1168-L1348 HydrophobicContact CD1-CD2 4.26Å; L1191-L1348 HydrophobicContact CB-CD1 4.32Å; L1191-L1348 HydrophobicContact CB-CD2 4.33Å; L1191-L1348 HydrophobicContact CD1-CD2 4.18Å; L1192-L1348 HydrophobicContact CD2-CB 3.85Å; L1192-L1348 HydrophobicContact CD2-CD1 4.35Å; A1195-L1348 HydrophobicContact CB-CD1 3.73Å; I1344-L1348 HydrophobicContact CG2-CD1 3.99Å; I1344-L1348 VanDerWaalsContact O-CG 3.3Å; I1344-L1348 WeakPolarHBondContact O-CG 3.33Å; I1344-L1348 PolarHBondContact O-N 3.14Å; L1345-L1348 PolarHBondContact O-N 2.88Å; R1346-L1348 VanDerWaalsContact C-N 3.26Å; R1346-L1348 PolarHBondContact O-N 3.09Å; L1348-L1354 HydrophobicContact CB-CD1 4.28Å; L1348-L1354 HydrophobicContact CD2-CD1 3.6Å |
| 1349 | V | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.5 | -38.6 | 177.6 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | L1192 I1223 L1345 R1346 S1351 L1358 F1387 L1388 T1391 | L1192-V1349 HydrophobicContact CD2-CG2 4.27Å; I1223-V1349 HydrophobicContact CG2-CG1 4.31Å; L1345-V1349 PolarHBondContact O-N 3.16Å; L1345-V1349 VanDerWaalsContact O-N 3.15Å; R1346-V1349 PolarHBondContact O-N 2.98Å; R1346-V1349 VanDerWaalsContact O-N 3.11Å; V1349-S1351 VanDerWaalsContact C-N 3.32Å; V1349-S1351 PolarHBondContact O-N 3.27Å; V1349-L1358 HydrophobicContact CG1-CD2 4.46Å; V1349-L1358 HydrophobicContact CG2-CD1 4.5Å; V1349-F1387 HydrophobicContact CB-CE1 4.34Å; V1349-F1387 HydrophobicContact CB-CZ 4.47Å; V1349-F1387 HydrophobicContact CG1-CE1 4.41Å; V1349-F1387 HydrophobicContact CG1-CZ 4.3Å; V1349-F1387 HydrophobicContact CG2-CE1 4.17Å; V1349-L1388 HydrophobicContact CG2-CD2 4.47Å; V1349-T1391 HydrophobicContact CG1-CG2 3.52Å; V1349-T1391 VanDerWaalsContact CG1-CG2 3.49Å |
| 1350 | E | 90.7 | Very high | 91.3 | Very high | 65 Ų | 65 | 35 Ų | 35 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -85.5 | -0.2 | -178.9 | -66.3 | 179.5 | 157.8 | 0 | 0 | 113.5 | I1223 R1346 R1352 | I1223-E1350 HydrophobicContact CG2-CG 4.16Å; R1346-E1350 HydrophobicContact CG-CG 4.25Å; R1346-E1350 WeakPolarHBondContact CG-OE2 3.35Å; R1346-E1350 IonicContact CZ-OE1 3.09Å; R1346-E1350 VanDerWaalsContact CZ-OE1 3.24Å; R1346-E1350 IonicContact CZ-OE2 3.42Å; R1346-E1350 VanDerWaalsContact NE-CD 3.29Å; R1346-E1350 IonicContact NE-OE1 2.96Å; R1346-E1350 PolarHBondContact NE-OE1 3.1Å; R1346-E1350 VanDerWaalsContact NE-OE1 3.12Å; R1346-E1350 IonicContact NE-OE2 3.07Å; R1346-E1350 PolarHBondContact NE-OE2 3.23Å; R1346-E1350 IonicContact NH2-OE1 2.94Å; R1346-E1350 PolarHBondContact NH2-OE1 2.99Å; R1346-E1350 IonicContact NH2-OE2 3.24Å; R1346-E1350 WeakPolarHBondContact O-CB 3.3Å; R1346-E1350 WeakPolarHBondContact O-CG 3.21Å; R1346-E1350 PolarHBondContact O-N 3.01Å; E1350-R1352 PolarHBondContact O-N 3.19Å |
| 1351 | S | 89.6 | Confident | 91.2 | Very high | 8.2 Ų | 8.2 | 35.1 Ų | 35.1 | 6% | 0.057 | 17% | 0.174 | C | C | . | . | trans | -73.4 | 120.4 | -175.7 | 176.4 | 0 | 0 | 0 | 0 | 113 | L1347 V1349 H1353 L1354 I1355 | L1347-S1351 VanDerWaalsContact O-CB 3.3Å; L1347-S1351 WeakPolarHBondContact O-CB 3.39Å; L1347-S1351 PolarHBondContact O-N 3.23Å; L1347-S1351 VanDerWaalsContact O-N 3.14Å; V1349-S1351 VanDerWaalsContact C-N 3.32Å; V1349-S1351 PolarHBondContact O-N 3.27Å; S1351-H1353 PolarHBondContact O-N 2.94Å; S1351-H1353 VanDerWaalsContact O-N 3.15Å; S1351-H1353 PolarHBondContact OG-N 3.03Å; S1351-L1354 PolarHBondContact O-N 3.14Å; S1351-L1354 PolarHBondContact OG-N 3.07Å; S1351-I1355 WeakPolarHBondContact O-CG1 3.31Å; S1351-I1355 PolarHBondContact O-N 2.95Å | ||
| 1352 | R | 87.6 | Confident | 91 | Very high | 155.4 Ų | 155.4 | 35.2 Ų | 35.2 | 59% | 0.586 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -33.5 | 171.4 | 23.2 | 178 | 174.4 | 160.8 | -2.4 | 114 | A1169 A1170 D1171 E1350 | A1169-R1352 PolarHBondContact O-NH2 3.05Å; A1170-R1352 PolarHBondContact O-NH2 3.24Å; A1170-R1352 VanDerWaalsContact O-NH2 3.11Å; D1171-R1352 IonicContact OD1-CZ 3.53Å; D1171-R1352 IonicContact OD1-NH1 3.37Å; D1171-R1352 PolarHBondContact OD1-NH1 3.24Å; D1171-R1352 IonicContact OD1-NH2 3.31Å; D1171-R1352 PolarHBondContact OD1-NH2 3.02Å; E1350-R1352 PolarHBondContact O-N 3.19Å |
| 1353 | H | 86.1 | Confident | 90.7 | Very high | 32.2 Ų | 32.2 | 37.1 Ų | 37.1 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -24.1 | -177.9 | -65 | -67.7 | 0 | 0 | 0 | 113.2 | L1168 A1170 L1172 S1177 S1351 | L1168-H1353 PolarHBondContact O-CD2 3.04Å; A1170-H1353 PolarHBondContact O-NE2 3.25Å; L1172-H1353 HydrophobicContact CD1-CB 4.46Å; S1177-H1353 PolarHBondContact OG-ND1 3.2Å; S1177-H1353 VanDerWaalsContact OG-ND1 3.11Å; S1351-H1353 PolarHBondContact O-N 2.94Å; S1351-H1353 VanDerWaalsContact O-N 3.15Å; S1351-H1353 PolarHBondContact OG-N 3.03Å |
| 1354 | L | 88 | Confident | 90.4 | Very high | 2.4 Ų | 2.4 | 35.1 Ų | 35.1 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -19.6 | -178.4 | -59.8 | 179.5 | 0 | 0 | 0 | 113.1 | L1168 V1180 A1181 L1191 L1348 S1351 P1356 S1357 L1358 | L1168-L1354 HydrophobicContact CD2-CD1 4.1Å; L1168-L1354 HydrophobicContact CD2-CG 4.45Å; V1180-L1354 HydrophobicContact CG1-CD2 4.43Å; A1181-L1354 HydrophobicContact CB-CD2 3.78Å; L1191-L1354 HydrophobicContact CD1-CD1 4.32Å; L1191-L1354 HydrophobicContact CD1-CD2 4.48Å; L1348-L1354 HydrophobicContact CB-CD1 4.28Å; L1348-L1354 HydrophobicContact CD2-CD1 3.6Å; S1351-L1354 PolarHBondContact O-N 3.14Å; S1351-L1354 PolarHBondContact OG-N 3.07Å; L1354-P1356 VanDerWaalsContact C-CD 3.48Å; L1354-P1356 VanDerWaalsContact C-N 3.34Å; L1354-S1357 CarbonylContact O-C 3.44Å; L1354-S1357 WeakPolarHBondContact O-CA 3.4Å; L1354-S1357 PolarHBondContact O-N 2.82Å; L1354-L1358 PolarHBondContact O-N 2.94Å |
| 1355 | I | 87.7 | Confident | 90 | Very high | 65.4 Ų | 65.4 | 38.6 Ų | 38.6 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -46.1 | -47.8 | 175.2 | -78.6 | 167.2 | 0 | 0 | 0 | 113 | F1224 S1351 S1357 L1358 | F1224-I1355 HydrophobicContact CE1-CD1 4.11Å; F1224-I1355 HydrophobicContact CE1-CG1 4.43Å; S1351-I1355 WeakPolarHBondContact O-CG1 3.31Å; S1351-I1355 PolarHBondContact O-N 2.95Å; I1355-S1357 PolarHBondContact O-N 3.23Å; I1355-S1357 VanDerWaalsContact O-N 3.14Å; I1355-L1358 VanDerWaalsContact O-CB 3.29Å; I1355-L1358 WeakPolarHBondContact O-CB 3.35Å; I1355-L1358 PolarHBondContact O-N 2.95Å; I1355-L1358 VanDerWaalsContact O-N 3.11Å |
| 1356 | P | 85.3 | Confident | 89.4 | Confident | 99 Ų | 99 | 39.1 Ų | 39.1 | 64% | 0.643 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -63.6 | -22.9 | 177.9 | -23.2 | 35 | 0 | 0 | 0 | 114.5 | L1354 | L1354-P1356 VanDerWaalsContact C-CD 3.48Å; L1354-P1356 VanDerWaalsContact C-N 3.34Å |
| 1357 | S | 87.1 | Confident | 88.7 | Confident | 16.4 Ų | 16.4 | 39.1 Ų | 39.1 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -103.5 | 2.4 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | L1354 I1355 I1359 P1360 L1361 | L1354-S1357 CarbonylContact O-C 3.44Å; L1354-S1357 WeakPolarHBondContact O-CA 3.4Å; L1354-S1357 PolarHBondContact O-N 2.82Å; I1355-S1357 PolarHBondContact O-N 3.23Å; I1355-S1357 VanDerWaalsContact O-N 3.14Å; S1357-I1359 PolarHBondContact O-N 3.12Å; S1357-P1360 WeakPolarHBondContact O-CD 3.41Å; S1357-L1361 WeakPolarHBondContact O-CB 3.31Å; S1357-L1361 VanDerWaalsContact O-CG 3.3Å; S1357-L1361 WeakPolarHBondContact O-CG 3.39Å; S1357-L1361 PolarHBondContact O-N 2.99Å |
| 1358 | L | 90.2 | Very high | 88.1 | Confident | 5.2 Ų | 5.2 | 40.3 Ų | 40.3 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.3 | -36.9 | -169 | -175.6 | 56.2 | 0 | 0 | 0 | 112.5 | L1192 V1349 L1354 I1355 L1361 L1362 I1395 | L1192-L1358 HydrophobicContact CD1-CD1 4.06Å; V1349-L1358 HydrophobicContact CG1-CD2 4.46Å; V1349-L1358 HydrophobicContact CG2-CD1 4.5Å; L1354-L1358 PolarHBondContact O-N 2.94Å; I1355-L1358 VanDerWaalsContact O-CB 3.29Å; I1355-L1358 WeakPolarHBondContact O-CB 3.35Å; I1355-L1358 PolarHBondContact O-N 2.95Å; I1355-L1358 VanDerWaalsContact O-N 3.11Å; L1358-L1361 PolarHBondContact O-N 3.1Å; L1358-L1362 HydrophobicContact CD1-CD1 3.95Å; L1358-L1362 HydrophobicContact CD1-CG 4.1Å; L1358-L1362 HydrophobicContact CG-CD1 3.87Å; L1358-L1362 HydrophobicContact CG-CG 4.46Å; L1358-L1362 WeakPolarHBondContact O-CB 3.32Å; L1358-L1362 VanDerWaalsContact O-CG 3.27Å; L1358-L1362 WeakPolarHBondContact O-CG 3.43Å; L1358-L1362 PolarHBondContact O-N 3.26Å; L1358-I1395 HydrophobicContact CD2-CD1 3.68Å; L1358-I1395 HydrophobicContact CG-CD1 4.05Å |
| 1359 | I | 89.7 | Confident | 87.5 | Confident | 68.8 Ų | 68.8 | 41.8 Ų | 41.8 | 35% | 0.353 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -52.5 | 174.2 | -68.3 | 172.4 | 0 | 0 | 0 | 110.9 | S1357 L1361 L1362 T1363 I1395 L1413 F1415 | S1357-I1359 PolarHBondContact O-N 3.12Å; I1359-L1361 VanDerWaalsContact C-N 3.3Å; I1359-L1361 PolarHBondContact O-N 3.13Å; I1359-L1362 PolarHBondContact O-N 3.28Å; I1359-T1363 HydrophobicContact CG2-CG2 4.42Å; I1359-T1363 WeakPolarHBondContact O-CB 3.33Å; I1359-T1363 WeakPolarHBondContact O-CG2 3.35Å; I1359-T1363 PolarHBondContact O-N 3.2Å; I1359-T1363 PolarHBondContact O-OG1 3.05Å; I1359-I1395 HydrophobicContact CD1-CG2 3.96Å; I1359-I1395 HydrophobicContact CG1-CG2 3.98Å; I1359-L1413 HydrophobicContact CG2-CD1 3.94Å; I1359-L1413 HydrophobicContact CG2-CD2 4.24Å; I1359-F1415 HydrophobicContact CB-CE1 4.42Å; I1359-F1415 HydrophobicContact CG1-CE1 4.35Å; I1359-F1415 HydrophobicContact CG1-CZ 4.22Å; I1359-F1415 HydrophobicContact CG2-CE1 4.09Å; I1359-F1415 HydrophobicContact CG2-CZ 3.98Å |
| 1360 | P | 88.5 | Confident | 87.3 | Confident | 66 Ų | 66 | 42 Ų | 42 | 43% | 0.429 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -52.5 | -42.1 | 169 | -30 | 34.3 | 0 | 0 | 0 | 114.3 | S1357 L1362 T1363 A1364 | S1357-P1360 WeakPolarHBondContact O-CD 3.41Å; P1360-L1362 VanDerWaalsContact C-N 3.34Å; P1360-L1362 PolarHBondContact O-N 3.1Å; P1360-T1363 PolarHBondContact O-N 3.22Å; P1360-T1363 PolarHBondContact O-OG1 2.87Å; P1360-A1364 WeakPolarHBondContact O-CB 3.38Å; P1360-A1364 PolarHBondContact O-N 3.21Å |
| 1361 | L | 91.4 | Very high | 87.3 | Confident | 9.6 Ų | 9.6 | 38.9 Ų | 38.9 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -32.6 | 179.7 | -76.1 | 170 | 0 | 0 | 0 | 113.5 | A1181 N1190 L1192 S1357 L1358 I1359 P1372 | A1181-L1361 WeakPolarHBondContact O-CD2 3.34Å; N1190-L1361 HydrophobicContact CB-CD2 3.87Å; N1190-L1361 WeakPolarHBondContact ND2-CD2 3.38Å; N1190-L1361 PolarHBondContact ND2-O 3.02Å; L1192-L1361 HydrophobicContact CD1-CB 3.78Å; L1192-L1361 HydrophobicContact CG-CB 4.27Å; S1357-L1361 WeakPolarHBondContact O-CB 3.31Å; S1357-L1361 VanDerWaalsContact O-CG 3.3Å; S1357-L1361 WeakPolarHBondContact O-CG 3.39Å; S1357-L1361 PolarHBondContact O-N 2.99Å; L1358-L1361 PolarHBondContact O-N 3.1Å; I1359-L1361 VanDerWaalsContact C-N 3.3Å; I1359-L1361 PolarHBondContact O-N 3.13Å; L1361-P1372 WeakPolarHBondContact O-CG 3.43Å |
| 1362 | L | 91.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -84.3 | -26.6 | 178.3 | -71.8 | 168.2 | 0 | 0 | 0 | 113.7 | L1192 L1358 I1359 P1360 T1371 P1372 L1388 I1392 I1395 F1415 | L1192-L1362 HydrophobicContact CD1-CD2 3.67Å; L1192-L1362 HydrophobicContact CD1-CG 3.93Å; L1358-L1362 HydrophobicContact CD1-CD1 3.95Å; L1358-L1362 HydrophobicContact CD1-CG 4.1Å; L1358-L1362 HydrophobicContact CG-CD1 3.87Å; L1358-L1362 HydrophobicContact CG-CG 4.46Å; L1358-L1362 WeakPolarHBondContact O-CB 3.32Å; L1358-L1362 VanDerWaalsContact O-CG 3.27Å; L1358-L1362 WeakPolarHBondContact O-CG 3.43Å; L1358-L1362 PolarHBondContact O-N 3.26Å; I1359-L1362 PolarHBondContact O-N 3.28Å; P1360-L1362 VanDerWaalsContact C-N 3.34Å; P1360-L1362 PolarHBondContact O-N 3.1Å; L1362-T1371 WeakPolarHBondContact O-CB 3.31Å; L1362-P1372 WeakPolarHBondContact O-CD 3.43Å; L1362-L1388 HydrophobicContact CD2-CD2 4.04Å; L1362-I1392 HydrophobicContact CD1-CG1 4.06Å; L1362-I1392 HydrophobicContact CD2-CG1 4.48Å; L1362-I1395 HydrophobicContact CD1-CD1 3.9Å; L1362-F1415 HydrophobicContact CB-CD1 4.11Å; L1362-F1415 HydrophobicContact CB-CE1 4.3Å |
| 1363 | T | 90.1 | Very high | 87.9 | Confident | 40.2 Ų | 40.2 | 31.2 Ų | 31.2 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -96.7 | -18.7 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | I1359 P1360 L1413 F1415 | I1359-T1363 HydrophobicContact CG2-CG2 4.42Å; I1359-T1363 WeakPolarHBondContact O-CB 3.33Å; I1359-T1363 WeakPolarHBondContact O-CG2 3.35Å; I1359-T1363 PolarHBondContact O-N 3.2Å; I1359-T1363 PolarHBondContact O-OG1 3.05Å; P1360-T1363 PolarHBondContact O-N 3.22Å; P1360-T1363 PolarHBondContact O-OG1 2.87Å; T1363-L1413 HydrophobicContact CG2-CD2 4.45Å; T1363-F1415 HydrophobicContact CG2-CD1 3.59Å; T1363-F1415 VanDerWaalsContact CG2-CD1 3.48Å; T1363-F1415 HydrophobicContact CG2-CE1 3.66Å; T1363-F1415 HydrophobicContact CG2-CG 4.19Å; T1363-F1415 HydrophobicContact CG2-CZ 4.3Å |
| 1364 | A | 88.3 | Confident | 88.3 | Confident | 38.8 Ų | 38.8 | 30 Ų | 30 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | trans | -56.1 | 148.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1193 P1360 T1371 | H1193-A1364 PolarHBondContact CE1-O 3.18Å; H1193-A1364 VanDerWaalsContact CE1-O 3.26Å; P1360-A1364 WeakPolarHBondContact O-CB 3.38Å; P1360-A1364 PolarHBondContact O-N 3.21Å; A1364-T1371 WeakPolarHBondContact O-CA 3.34Å | ||
| 1365 | R | 85.8 | Confident | 88.5 | Confident | 74.6 Ų | 74.6 | 30.3 Ų | 30.3 | 28% | 0.282 | 17% | 0.171 | S | C | . | . | trans | -121.1 | 142.7 | -175.8 | -51.7 | -178 | -155 | 168.2 | 6.1 | 111.6 | D1369 L1370 T1371 P1418 S1420 | R1365-D1369 VanDerWaalsContact CD-O 3.29Å; R1365-D1369 WeakPolarHBondContact CD-O 3.34Å; R1365-D1369 WeakPolarHBondContact CG-O 3.38Å; R1365-L1370 CarbonylContact C-O 3.49Å; R1365-L1370 VanDerWaalsContact CA-O 3.29Å; R1365-L1370 WeakPolarHBondContact CA-O 3.36Å; R1365-T1371 HydrophobicContact CG-CG2 4.36Å; R1365-P1418 VanDerWaalsContact CZ-CB 3.47Å; R1365-P1418 VanDerWaalsContact NH2-CB 3.29Å; R1365-S1420 PolarHBondContact NH1-O 3.19Å; R1365-S1420 PolarHBondContact NH1-OG 3.04Å; R1365-S1420 PolarHBondContact NH2-OG 3.3Å | ||
| 1366 | N | 84.9 | Confident | 88.9 | Confident | 10.6 Ų | 10.6 | 27.2 Ų | 27.2 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | trans | -73.8 | -180 | 170.7 | 79 | -8.6 | 0 | 0 | 0 | 111.7 | G1187 R1189 E1368 D1369 L1370 | G1187-N1366 WeakPolarHBondContact O-CA 3.36Å; G1187-N1366 WeakPolarHBondContact O-CB 3.34Å; R1189-N1366 HydrophobicContact CG-CB 4.34Å; N1366-E1368 PolarHBondContact ND2-OE2 3.01Å; N1366-E1368 PolarHBondContact O-N 3.19Å; N1366-E1368 VanDerWaalsContact O-N 3.1Å; N1366-E1368 WeakPolarHBondContact OD1-CA 3.31Å; N1366-E1368 VanDerWaalsContact OD1-CB 3.32Å; N1366-E1368 WeakPolarHBondContact OD1-CB 3.41Å; N1366-E1368 PolarHBondContact OD1-N 3.02Å; N1366-D1369 PolarHBondContact O-N 3.09Å; N1366-D1369 PolarHBondContact OD1-N 2.96Å; N1366-L1370 PolarHBondContact N-O 3.27Å; N1366-L1370 WeakPolarHBondContact OD1-CB 3.19Å; N1366-L1370 PolarHBondContact OD1-N 3.17Å; N1366-L1370 PolarHBondContact OD1-O 3.3Å | ||
| 1367 | T | 79.8 | Confident | 89.4 | Confident | 28.6 Ų | 28.6 | 22.6 Ų | 22.6 | 18% | 0.175 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -5.2 | 176.2 | 45.4 | 0 | 0 | 0 | 0 | 115.7 | V1042 A1046 L1078 G1187 R1188 | V1042-T1367 HydrophobicContact CG1-CG2 4.08Å; A1046-T1367 HydrophobicContact CB-CG2 4.18Å; L1078-T1367 HydrophobicContact CD2-CG2 3.65Å; G1187-T1367 VanDerWaalsContact CA-OG1 3.25Å; G1187-T1367 WeakPolarHBondContact CA-OG1 3.36Å; G1187-T1367 PolarHBondContact O-N 3.23Å; G1187-T1367 PolarHBondContact O-OG1 3.12Å; R1188-T1367 HydrophobicContact CB-CG2 4.33Å; R1188-T1367 HydrophobicContact CG-CG2 4.2Å |
| 1368 | E | 79.7 | Confident | 89.7 | Confident | 55.6 Ų | 55.6 | 23.7 Ų | 23.7 | 26% | 0.26 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.4 | 174.4 | -50 | -177.1 | 111.9 | 0 | 0 | 112.5 | N1094 N1366 L1370 K1378 K1422 | N1094-E1368 PolarHBondContact ND2-OE1 3.47Å; N1366-E1368 PolarHBondContact ND2-OE2 3.01Å; N1366-E1368 PolarHBondContact O-N 3.19Å; N1366-E1368 VanDerWaalsContact O-N 3.1Å; N1366-E1368 WeakPolarHBondContact OD1-CA 3.31Å; N1366-E1368 VanDerWaalsContact OD1-CB 3.32Å; N1366-E1368 WeakPolarHBondContact OD1-CB 3.41Å; N1366-E1368 PolarHBondContact OD1-N 3.02Å; E1368-L1370 VanDerWaalsContact C-N 3.32Å; E1368-L1370 HydrophobicContact CB-CD1 4.18Å; E1368-L1370 HydrophobicContact CB-CG 4.11Å; E1368-L1370 WeakPolarHBondContact OE2-CD1 3.31Å; E1368-K1378 IonicContact OE1-NZ 2.83Å; E1368-K1378 PolarHBondContact OE1-NZ 3.09Å; E1368-K1378 IonicContact OE2-NZ 3.55Å; E1368-K1378 PolarHBondContact OE2-NZ 3.09Å; E1368-K1422 PolarHBondContact O-NZ 3.18Å |
| 1369 | D | 83 | Confident | 89.9 | Confident | 34.6 Ų | 34.6 | 25.5 Ų | 25.5 | 19% | 0.185 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 70.6 | 12.8 | -171.9 | -59.5 | -66.9 | 0 | 0 | 0 | 115.8 | R1365 N1366 H1421 K1422 | R1365-D1369 VanDerWaalsContact CD-O 3.29Å; R1365-D1369 WeakPolarHBondContact CD-O 3.34Å; R1365-D1369 WeakPolarHBondContact CG-O 3.38Å; N1366-D1369 PolarHBondContact O-N 3.09Å; N1366-D1369 PolarHBondContact OD1-N 2.96Å; D1369-H1421 PolarHBondContact O-CD2 3.02Å; D1369-H1421 VanDerWaalsContact O-CD2 3.23Å; D1369-H1421 PolarHBondContact O-NE2 2.88Å; D1369-H1421 VanDerWaalsContact O-NE2 3.13Å; D1369-K1422 IonicContact OD2-NZ 3.2Å; D1369-K1422 PolarHBondContact OD2-NZ 3.32Å |
| 1370 | L | 87.6 | Confident | 90.2 | Very high | 3.6 Ų | 3.6 | 22.6 Ų | 22.6 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | trans | -90 | 140.8 | -178.1 | -55 | 175.1 | 0 | 0 | 0 | 112.5 | H1193 R1365 N1366 E1368 M1374 L1375 K1378 D1425 | H1193-L1370 PolarHBondContact NE2-O 3.13Å; H1193-L1370 VanDerWaalsContact NE2-O 3.09Å; R1365-L1370 CarbonylContact C-O 3.49Å; R1365-L1370 VanDerWaalsContact CA-O 3.29Å; R1365-L1370 WeakPolarHBondContact CA-O 3.36Å; N1366-L1370 PolarHBondContact N-O 3.27Å; N1366-L1370 WeakPolarHBondContact OD1-CB 3.19Å; N1366-L1370 PolarHBondContact OD1-N 3.17Å; N1366-L1370 PolarHBondContact OD1-O 3.3Å; E1368-L1370 VanDerWaalsContact C-N 3.32Å; E1368-L1370 HydrophobicContact CB-CD1 4.18Å; E1368-L1370 HydrophobicContact CB-CG 4.11Å; E1368-L1370 WeakPolarHBondContact OE2-CD1 3.31Å; L1370-M1374 HydrophobicContact CB-CB 4.17Å; L1370-M1374 HydrophobicContact CD2-CB 4.11Å; L1370-M1374 HydrophobicContact CD2-CE 4.21Å; L1370-L1375 HydrophobicContact CD1-CD1 4.45Å; L1370-K1378 HydrophobicContact CD1-CB 4.46Å; L1370-K1378 HydrophobicContact CD1-CD 3.41Å; L1370-K1378 VanDerWaalsContact CD1-CD 3.41Å; L1370-D1425 HydrophobicContact CD2-CB 4.4Å | ||
| 1371 | T | 92.1 | Very high | 90.5 | Very high | 0.2 Ų | 0.2 | 19.5 Ų | 19.5 | 0% | 0.001 | 10% | 0.102 | C | C | . | . | trans | -80.8 | 169.9 | 167.2 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | L1362 A1364 R1365 F1373 M1374 L1375 F1415 P1418 | L1362-T1371 WeakPolarHBondContact O-CB 3.31Å; A1364-T1371 WeakPolarHBondContact O-CA 3.34Å; R1365-T1371 HydrophobicContact CG-CG2 4.36Å; T1371-F1373 VanDerWaalsContact C-N 3.25Å; T1371-F1373 PolarHBondContact O-N 3.09Å; T1371-M1374 HydrophobicContact CG2-SD 4Å; T1371-M1374 PolarHBondContact O-N 3.15Å; T1371-M1374 VanDerWaalsContact O-N 3.14Å; T1371-M1374 WeakPolarHBondContact OG1-CG 3.35Å; T1371-M1374 PolarHBondContact OG1-N 2.96Å; T1371-M1374 PolarHBondContact OG1-SD 3.14Å; T1371-L1375 WeakPolarHBondContact O-CB 3.38Å; T1371-L1375 PolarHBondContact O-N 3.03Å; T1371-F1415 PolarHBondContact OG1-O 3.03Å; T1371-P1418 HydrophobicContact CG2-CG 4.06Å | ||
| 1372 | P | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -34.2 | 177 | -22.7 | 32.7 | 0 | 0 | 0 | 113.4 | L1192 H1193 V1196 L1361 L1362 A1376 L1388 | L1192-P1372 HydrophobicContact CB-CB 4.03Å; L1192-P1372 HydrophobicContact CB-CG 3.87Å; H1193-P1372 VanDerWaalsContact CE1-CD 3.49Å; H1193-P1372 WeakPolarHBondContact CE1-CD 3.34Å; V1196-P1372 HydrophobicContact CG2-CB 4.26Å; L1361-P1372 WeakPolarHBondContact O-CG 3.43Å; L1362-P1372 WeakPolarHBondContact O-CD 3.43Å; P1372-A1376 WeakPolarHBondContact O-CB 3.24Å; P1372-A1376 PolarHBondContact O-N 3.16Å; P1372-L1388 HydrophobicContact CB-CD1 4.42Å |
| 1373 | F | 95.5 | Very high | 91 | Very high | 1.6 Ų | 1.6 | 19.2 Ų | 19.2 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 176.1 | 171.9 | -102.9 | 0 | 0 | 0 | 112 | T1371 L1375 A1376 I1377 A1385 L1388 Y1389 I1392 F1416 P1427 L1512 L1516 | T1371-F1373 VanDerWaalsContact C-N 3.25Å; T1371-F1373 PolarHBondContact O-N 3.09Å; F1373-L1375 VanDerWaalsContact C-N 3.33Å; F1373-L1375 PolarHBondContact O-N 3.11Å; F1373-A1376 WeakPolarHBondContact O-CB 3.39Å; F1373-A1376 PolarHBondContact O-N 3.06Å; F1373-I1377 HydrophobicContact CD1-CD1 4.43Å; F1373-I1377 HydrophobicContact CE1-CD1 3.71Å; F1373-I1377 HydrophobicContact CE2-CD1 4.23Å; F1373-I1377 HydrophobicContact CZ-CD1 3.59Å; F1373-I1377 HydrophobicContact CZ-CG1 4.5Å; F1373-I1377 PolarHBondContact O-N 3.06Å; F1373-A1385 HydrophobicContact CD2-CB 4.34Å; F1373-A1385 WeakPolarHBondContact CD2-O 3.38Å; F1373-A1385 HydrophobicContact CE2-CB 4.15Å; F1373-A1385 VanDerWaalsContact CE2-O 3.28Å; F1373-A1385 WeakPolarHBondContact CE2-O 3.33Å; F1373-L1388 HydrophobicContact CD2-CB 4.18Å; F1373-Y1389 HydrophobicContact CZ-CD2 4.45Å; F1373-I1392 HydrophobicContact CB-CD1 4.38Å; F1373-F1416 AromaticContact CD1-CD1 3.75Å; F1373-F1416 HydrophobicContact CD1-CD1 3.75Å; F1373-F1416 HydrophobicContact CD1-CE1 4.48Å; F1373-F1416 HydrophobicContact CE1-CB 4.44Å; F1373-F1416 AromaticContact CE1-CD1 3.65Å; F1373-F1416 HydrophobicContact CE1-CD1 3.65Å; F1373-F1416 HydrophobicContact CE1-CE1 4.42Å; F1373-F1416 HydrophobicContact CE1-CG 4.49Å; F1373-F1416 HydrophobicContact CG-CD1 4.27Å; F1373-F1416 HydrophobicContact CZ-CD1 4.09Å; F1373-F1416 HydrophobicContact CZ-CE1 4.46Å; F1373-P1427 HydrophobicContact CD1-CG 4.49Å; F1373-P1427 HydrophobicContact CE1-CB 4.03Å; F1373-P1427 HydrophobicContact CE1-CG 3.91Å; F1373-L1512 HydrophobicContact CE2-CD1 4.05Å; F1373-L1512 HydrophobicContact CZ-CD1 4.17Å; F1373-L1516 HydrophobicContact CE1-CD2 4.26Å; F1373-L1516 HydrophobicContact CZ-CD1 4.15Å; F1373-L1516 HydrophobicContact CZ-CD2 3.92Å; F1373-L1516 HydrophobicContact CZ-CG 4.43Å |
| 1374 | M | 93.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.03 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68 | -39 | -180 | -59.3 | 169.9 | 83.3 | 0 | 0 | 111.1 | L1370 T1371 A1376 I1377 K1378 F1416 H1421 D1425 | L1370-M1374 HydrophobicContact CB-CB 4.17Å; L1370-M1374 HydrophobicContact CD2-CB 4.11Å; L1370-M1374 HydrophobicContact CD2-CE 4.21Å; T1371-M1374 HydrophobicContact CG2-SD 4Å; T1371-M1374 PolarHBondContact O-N 3.15Å; T1371-M1374 VanDerWaalsContact O-N 3.14Å; T1371-M1374 WeakPolarHBondContact OG1-CG 3.35Å; T1371-M1374 PolarHBondContact OG1-N 2.96Å; T1371-M1374 PolarHBondContact OG1-SD 3.14Å; M1374-A1376 VanDerWaalsContact C-N 3.33Å; M1374-A1376 PolarHBondContact O-N 3.09Å; M1374-I1377 PolarHBondContact O-N 3.19Å; M1374-K1378 PolarHBondContact O-N 3.35Å; M1374-F1416 WeakPolarHBondContact CE-O 3.45Å; M1374-F1416 WeakPolarHBondContact CG-O 3.36Å; M1374-H1421 WeakPolarHBondContact CE-CE1 3.29Å; M1374-H1421 VanDerWaalsContact CE-NE2 3.31Å; M1374-H1421 WeakPolarHBondContact CE-NE2 3.43Å; M1374-D1425 HydrophobicContact CE-CB 4.42Å; M1374-D1425 VanDerWaalsContact CE-O 3.32Å; M1374-D1425 WeakPolarHBondContact CE-O 3.38Å |
| 1375 | L | 93.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.052 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 171.8 | -179.1 | 62.7 | 0 | 0 | 0 | 111.5 | H1193 V1196 L1370 T1371 F1373 I1377 K1378 I1379 | H1193-L1375 HydrophobicContact CB-CD2 4.05Å; V1196-L1375 HydrophobicContact CG1-CB 4.35Å; V1196-L1375 HydrophobicContact CG1-CD2 4.21Å; V1196-L1375 HydrophobicContact CG1-CG 4.07Å; L1370-L1375 HydrophobicContact CD1-CD1 4.45Å; T1371-L1375 WeakPolarHBondContact O-CB 3.38Å; T1371-L1375 PolarHBondContact O-N 3.03Å; F1373-L1375 VanDerWaalsContact C-N 3.33Å; F1373-L1375 PolarHBondContact O-N 3.11Å; L1375-I1377 VanDerWaalsContact C-N 3.3Å; L1375-I1377 PolarHBondContact O-N 3.25Å; L1375-K1378 PolarHBondContact O-N 3.06Å; L1375-K1378 VanDerWaalsContact O-N 3.15Å; L1375-I1379 HydrophobicContact CD1-CG2 3.94Å; L1375-I1379 HydrophobicContact CG-CD1 4.4Å; L1375-I1379 HydrophobicContact CG-CG2 4.5Å; L1375-I1379 VanDerWaalsContact O-CG1 3.31Å; L1375-I1379 WeakPolarHBondContact O-CG1 3.38Å; L1375-I1379 PolarHBondContact O-N 3.08Å |
| 1376 | A | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.8 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1196 P1372 F1373 M1374 R1380 A1381 V1384 A1385 L1388 | V1196-A1376 HydrophobicContact CG1-CB 3.65Å; V1196-A1376 HydrophobicContact CG2-CB 4.46Å; P1372-A1376 WeakPolarHBondContact O-CB 3.24Å; P1372-A1376 PolarHBondContact O-N 3.16Å; F1373-A1376 WeakPolarHBondContact O-CB 3.39Å; F1373-A1376 PolarHBondContact O-N 3.06Å; M1374-A1376 VanDerWaalsContact C-N 3.33Å; M1374-A1376 PolarHBondContact O-N 3.09Å; A1376-R1380 PolarHBondContact O-N 3.08Å; A1376-A1381 WeakPolarHBondContact O-CA 3.42Å; A1376-A1381 PolarHBondContact O-N 3.13Å; A1376-V1384 HydrophobicContact CB-CG1 3.98Å; A1376-A1385 HydrophobicContact CB-CB 3.79Å; A1376-L1388 HydrophobicContact CB-CD1 4.47Å |
| 1377 | I | 96 | Very high | 92.6 | Very high | 1.8 Ų | 1.8 | 13.7 Ų | 13.7 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.1 | -49.2 | 172.3 | -67.6 | 175.1 | 0 | 0 | 0 | 110.6 | F1373 M1374 L1375 I1379 R1380 A1385 P1427 Q1430 L1431 N1434 L1512 L1516 | F1373-I1377 HydrophobicContact CD1-CD1 4.43Å; F1373-I1377 HydrophobicContact CE1-CD1 3.71Å; F1373-I1377 HydrophobicContact CE2-CD1 4.23Å; F1373-I1377 HydrophobicContact CZ-CD1 3.59Å; F1373-I1377 HydrophobicContact CZ-CG1 4.5Å; F1373-I1377 PolarHBondContact O-N 3.06Å; M1374-I1377 PolarHBondContact O-N 3.19Å; L1375-I1377 VanDerWaalsContact C-N 3.3Å; L1375-I1377 PolarHBondContact O-N 3.25Å; I1377-I1379 VanDerWaalsContact C-N 3.34Å; I1377-I1379 PolarHBondContact O-N 3.34Å; I1377-R1380 PolarHBondContact O-N 3Å; I1377-A1385 HydrophobicContact CG1-CB 3.83Å; I1377-P1427 HydrophobicContact CD1-CB 3.76Å; I1377-Q1430 HydrophobicContact CG2-CB 4.15Å; I1377-Q1430 HydrophobicContact CG2-CG 4.06Å; I1377-L1431 HydrophobicContact CD1-CD1 4.4Å; I1377-L1431 HydrophobicContact CD1-CG 4.37Å; I1377-L1431 HydrophobicContact CG2-CD2 4.02Å; I1377-L1431 HydrophobicContact CG2-CG 3.89Å; I1377-N1434 PolarHBondContact O-ND2 3.17Å; I1377-L1512 HydrophobicContact CD1-CD2 4.12Å; I1377-L1512 HydrophobicContact CG1-CD2 3.99Å; I1377-L1516 HydrophobicContact CD1-CD1 4.36Å |
| 1378 | K | 93.2 | Very high | 93.3 | Very high | 39.4 Ų | 39.4 | 12.3 Ų | 12.3 | 17% | 0.171 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.3 | -45.8 | -178.9 | 179.9 | 174 | 173.7 | 179.4 | 0 | 112.5 | E1368 L1370 M1374 L1375 R1380 N1434 | E1368-K1378 IonicContact OE1-NZ 2.83Å; E1368-K1378 PolarHBondContact OE1-NZ 3.09Å; E1368-K1378 IonicContact OE2-NZ 3.55Å; E1368-K1378 PolarHBondContact OE2-NZ 3.09Å; L1370-K1378 HydrophobicContact CD1-CB 4.46Å; L1370-K1378 HydrophobicContact CD1-CD 3.41Å; L1370-K1378 VanDerWaalsContact CD1-CD 3.41Å; M1374-K1378 PolarHBondContact O-N 3.35Å; L1375-K1378 PolarHBondContact O-N 3.06Å; L1375-K1378 VanDerWaalsContact O-N 3.15Å; K1378-R1380 PolarHBondContact O-N 3.17Å; K1378-N1434 PolarHBondContact O-ND2 3.24Å |
| 1379 | I | 93.1 | Very high | 94 | Very high | 43.4 Ų | 43.4 | 10.3 Ų | 10.3 | 22% | 0.223 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 11.2 | 178.4 | 74.7 | -165.8 | 0 | 0 | 0 | 113.8 | V1196 A1200 P1201 L1375 I1377 A1381 | V1196-I1379 HydrophobicContact CG1-CD1 3.6Å; V1196-I1379 VanDerWaalsContact O-CD1 3.3Å; V1196-I1379 WeakPolarHBondContact O-CD1 3.35Å; A1200-I1379 HydrophobicContact CB-CB 4.08Å; A1200-I1379 HydrophobicContact CB-CD1 4.04Å; A1200-I1379 HydrophobicContact CB-CG1 4.02Å; P1201-I1379 WeakPolarHBondContact CD-O 3.36Å; L1375-I1379 HydrophobicContact CD1-CG2 3.94Å; L1375-I1379 HydrophobicContact CG-CD1 4.4Å; L1375-I1379 HydrophobicContact CG-CG2 4.5Å; L1375-I1379 VanDerWaalsContact O-CG1 3.31Å; L1375-I1379 WeakPolarHBondContact O-CG1 3.38Å; L1375-I1379 PolarHBondContact O-N 3.08Å; I1377-I1379 VanDerWaalsContact C-N 3.34Å; I1377-I1379 PolarHBondContact O-N 3.34Å; I1379-A1381 VanDerWaalsContact C-N 3.25Å; I1379-A1381 HydrophobicContact CD1-CB 4.28Å; I1379-A1381 HydrophobicContact CG1-CB 3.86Å; I1379-A1381 PolarHBondContact O-N 3.26Å; I1379-A1381 VanDerWaalsContact O-N 3.16Å |
| 1380 | R | 96.1 | Very high | 94.4 | Very high | 8.8 Ų | 8.8 | 10.9 Ų | 10.9 | 3% | 0.033 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 24.6 | 176.2 | -50 | -176.9 | 177.3 | -145.5 | -6.7 | 114.6 | A1376 I1377 K1378 Y1382 N1434 D1435 Q1499 S1500 I1502 S1503 | A1376-R1380 PolarHBondContact O-N 3.08Å; I1377-R1380 PolarHBondContact O-N 3Å; K1378-R1380 PolarHBondContact O-N 3.17Å; R1380-Y1382 VanDerWaalsContact C-N 3.25Å; R1380-Y1382 HydrophobicContact CB-CD2 4.37Å; R1380-Y1382 HydrophobicContact CB-CE1 4.37Å; R1380-Y1382 HydrophobicContact CB-CE2 3.88Å; R1380-Y1382 WeakPolarHBondContact CD-OH 3.36Å; R1380-Y1382 HydrophobicContact CG-CE1 4.45Å; R1380-Y1382 HydrophobicContact CG-CE2 4.21Å; R1380-Y1382 WeakPolarHBondContact CG-OH 3.43Å; R1380-Y1382 WeakPolarHBondContact O-CD2 3.35Å; R1380-Y1382 PolarHBondContact O-N 3.22Å; R1380-Y1382 VanDerWaalsContact O-N 3.1Å; R1380-N1434 HydrophobicContact CG-CB 4.44Å; R1380-N1434 VanDerWaalsContact CZ-O 3.3Å; R1380-N1434 PolarHBondContact NE-O 3Å; R1380-N1434 PolarHBondContact NH1-O 2.99Å; R1380-N1434 VanDerWaalsContact NH1-O 3.15Å; R1380-N1434 VanDerWaalsContact NH2-C 3.33Å; R1380-N1434 PolarHBondContact NH2-O 3.03Å; R1380-N1434 VanDerWaalsContact NH2-O 3.12Å; R1380-D1435 PolarHBondContact NH1-O 3.02Å; R1380-D1435 PolarHBondContact NH2-O 3.25Å; R1380-Q1499 PolarHBondContact NE-O 3.09Å; R1380-Q1499 VanDerWaalsContact NE-O 3.17Å; R1380-Q1499 PolarHBondContact NH1-O 3.39Å; R1380-S1500 PolarHBondContact NH2-OG 3.08Å; R1380-I1502 WeakPolarHBondContact CD-O 3.39Å; R1380-I1502 PolarHBondContact NE-O 2.86Å; R1380-I1502 PolarHBondContact NH1-O 3.21Å; R1380-I1502 VanDerWaalsContact NH1-O 3.08Å; R1380-S1503 VanDerWaalsContact CD-O 3.24Å; R1380-S1503 WeakPolarHBondContact CD-O 3.48Å; R1380-S1503 PolarHBondContact NH1-O 3.23Å |
| 1381 | A | 95.6 | Very high | 94.5 | Very high | 0.4 Ų | 0.4 | 10.7 Ų | 10.7 | 0% | 0.003 | 5% | 0.05 | C | C | . | . | trans | -84.2 | 54.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1199 A1376 I1379 S1383 V1384 A1385 | C1199-A1381 HydrophobicContact CB-CB 4.48Å; A1376-A1381 WeakPolarHBondContact O-CA 3.42Å; A1376-A1381 PolarHBondContact O-N 3.13Å; I1379-A1381 VanDerWaalsContact C-N 3.25Å; I1379-A1381 HydrophobicContact CD1-CB 4.28Å; I1379-A1381 HydrophobicContact CG1-CB 3.86Å; I1379-A1381 PolarHBondContact O-N 3.26Å; I1379-A1381 VanDerWaalsContact O-N 3.16Å; A1381-S1383 VanDerWaalsContact C-N 3.33Å; A1381-S1383 PolarHBondContact O-N 3.31Å; A1381-S1383 VanDerWaalsContact O-N 3.16Å; A1381-V1384 HydrophobicContact CB-CB 4.29Å; A1381-V1384 WeakPolarHBondContact O-CA 3.42Å; A1381-V1384 WeakPolarHBondContact O-CB 3.35Å; A1381-V1384 PolarHBondContact O-N 3.17Å; A1381-A1385 PolarHBondContact O-N 3.05Å; A1381-A1385 VanDerWaalsContact O-N 3.08Å | ||
| 1382 | Y | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.6 | -34.7 | -166.3 | -54.5 | -57.5 | 0 | 0 | 0 | 115 | R1380 V1384 A1385 R1386 L1431 N1434 F1505 R1509 | R1380-Y1382 VanDerWaalsContact C-N 3.25Å; R1380-Y1382 HydrophobicContact CB-CD2 4.37Å; R1380-Y1382 HydrophobicContact CB-CE1 4.37Å; R1380-Y1382 HydrophobicContact CB-CE2 3.88Å; R1380-Y1382 WeakPolarHBondContact CD-OH 3.36Å; R1380-Y1382 HydrophobicContact CG-CE1 4.45Å; R1380-Y1382 HydrophobicContact CG-CE2 4.21Å; R1380-Y1382 WeakPolarHBondContact CG-OH 3.43Å; R1380-Y1382 WeakPolarHBondContact O-CD2 3.35Å; R1380-Y1382 PolarHBondContact O-N 3.22Å; R1380-Y1382 VanDerWaalsContact O-N 3.1Å; Y1382-V1384 VanDerWaalsContact C-N 3.28Å; Y1382-V1384 PolarHBondContact O-N 3.26Å; Y1382-A1385 PolarHBondContact O-N 2.9Å; Y1382-R1386 WeakPolarHBondContact O-CB 3.38Å; Y1382-R1386 PolarHBondContact O-N 3.24Å; Y1382-L1431 HydrophobicContact CD1-CD2 3.78Å; Y1382-L1431 HydrophobicContact CE1-CD2 3.63Å; Y1382-N1434 VanDerWaalsContact OH-CB 3.26Å; Y1382-N1434 WeakPolarHBondContact OH-CB 3.28Å; Y1382-N1434 PolarHBondContact OH-ND2 3.1Å; Y1382-F1505 WeakPolarHBondContact CD2-O 3.34Å; Y1382-R1509 HydrophobicContact CD1-CB 4.33Å; Y1382-R1509 HydrophobicContact CD1-CG 4.13Å; Y1382-R1509 HydrophobicContact CD2-CB 3.69Å; Y1382-R1509 HydrophobicContact CD2-CG 4.01Å; Y1382-R1509 HydrophobicContact CE1-CB 4.48Å; Y1382-R1509 HydrophobicContact CE1-CG 3.93Å; Y1382-R1509 HydrophobicContact CE2-CB 3.93Å; Y1382-R1509 HydrophobicContact CE2-CG 3.78Å; Y1382-R1509 HydrophobicContact CG-CB 3.89Å; Y1382-R1509 HydrophobicContact CG-CG 4.16Å |
| 1383 | S | 96.2 | Very high | 94 | Very high | 4.8 Ų | 4.8 | 14.1 Ų | 14.1 | 3% | 0.034 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 175 | -42.6 | 0 | 0 | 0 | 0 | 112.5 | A1381 F1387 P1508 | A1381-S1383 VanDerWaalsContact C-N 3.33Å; A1381-S1383 PolarHBondContact O-N 3.31Å; A1381-S1383 VanDerWaalsContact O-N 3.16Å; S1383-F1387 PolarHBondContact O-N 3.05Å; S1383-F1387 VanDerWaalsContact O-N 3.13Å; S1383-P1508 WeakPolarHBondContact OG-CG 3.4Å |
| 1384 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -74.8 | -41.1 | 176.2 | 155.6 | 0 | 0 | 0 | 0 | 110.8 | V1196 C1199 L1219 Y1342 L1345 A1376 A1381 Y1382 R1386 F1387 L1388 | V1196-V1384 HydrophobicContact CG2-CG1 3.93Å; C1199-V1384 HydrophobicContact CB-CG2 3.84Å; L1219-V1384 HydrophobicContact CD1-CG2 4.15Å; Y1342-V1384 HydrophobicContact CD2-CG2 4.35Å; Y1342-V1384 HydrophobicContact CE1-CG2 4.28Å; Y1342-V1384 HydrophobicContact CE2-CG2 4.06Å; Y1342-V1384 HydrophobicContact CG-CG2 4.49Å; L1345-V1384 HydrophobicContact CD2-CB 4.15Å; L1345-V1384 HydrophobicContact CD2-CG1 3.43Å; L1345-V1384 VanDerWaalsContact CD2-CG1 3.43Å; L1345-V1384 HydrophobicContact CD2-CG2 3.8Å; A1376-V1384 HydrophobicContact CB-CG1 3.98Å; A1381-V1384 HydrophobicContact CB-CB 4.29Å; A1381-V1384 WeakPolarHBondContact O-CA 3.42Å; A1381-V1384 WeakPolarHBondContact O-CB 3.35Å; A1381-V1384 PolarHBondContact O-N 3.17Å; Y1382-V1384 VanDerWaalsContact C-N 3.28Å; Y1382-V1384 PolarHBondContact O-N 3.26Å; V1384-R1386 VanDerWaalsContact C-N 3.32Å; V1384-R1386 PolarHBondContact O-N 2.99Å; V1384-F1387 PolarHBondContact O-N 3Å; V1384-L1388 HydrophobicContact CG1-CD1 4.19Å; V1384-L1388 WeakPolarHBondContact O-CG 3.32Å; V1384-L1388 PolarHBondContact O-N 3.1Å |
| 1385 | A | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1373 A1376 I1377 A1381 Y1382 L1388 Y1389 L1512 | F1373-A1385 HydrophobicContact CD2-CB 4.34Å; F1373-A1385 WeakPolarHBondContact CD2-O 3.38Å; F1373-A1385 HydrophobicContact CE2-CB 4.15Å; F1373-A1385 VanDerWaalsContact CE2-O 3.28Å; F1373-A1385 WeakPolarHBondContact CE2-O 3.33Å; A1376-A1385 HydrophobicContact CB-CB 3.79Å; I1377-A1385 HydrophobicContact CG1-CB 3.83Å; A1381-A1385 PolarHBondContact O-N 3.05Å; A1381-A1385 VanDerWaalsContact O-N 3.08Å; Y1382-A1385 PolarHBondContact O-N 2.9Å; A1385-L1388 PolarHBondContact O-N 3Å; A1385-Y1389 WeakPolarHBondContact O-CB 3.35Å; A1385-Y1389 PolarHBondContact O-N 2.98Å; A1385-L1512 HydrophobicContact CB-CD2 3.45Å; A1385-L1512 VanDerWaalsContact CB-CD2 3.45Å |
| 1386 | R | 95.3 | Very high | 92.3 | Very high | 39.6 Ų | 39.6 | 18.8 Ų | 18.8 | 15% | 0.149 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 171.5 | 179.9 | -174.4 | 133.3 | -156.1 | 6.1 | 112.2 | E1216 Y1382 V1384 L1388 Y1389 D1390 E1511 K1515 | E1216-R1386 IonicContact OE1-CZ 3.05Å; E1216-R1386 VanDerWaalsContact OE1-CZ 3.25Å; E1216-R1386 IonicContact OE1-NH1 3.51Å; E1216-R1386 PolarHBondContact OE1-NH1 3.12Å; E1216-R1386 IonicContact OE1-NH2 3.11Å; E1216-R1386 PolarHBondContact OE1-NH2 3.25Å; Y1382-R1386 WeakPolarHBondContact O-CB 3.38Å; Y1382-R1386 PolarHBondContact O-N 3.24Å; V1384-R1386 VanDerWaalsContact C-N 3.32Å; V1384-R1386 PolarHBondContact O-N 2.99Å; R1386-L1388 VanDerWaalsContact C-N 3.32Å; R1386-L1388 PolarHBondContact O-N 3.04Å; R1386-Y1389 WeakPolarHBondContact O-CB 3.38Å; R1386-Y1389 PolarHBondContact O-N 3.29Å; R1386-Y1389 VanDerWaalsContact O-N 3.11Å; R1386-D1390 WeakPolarHBondContact CG-OD2 3.45Å; R1386-D1390 IonicContact NE-OD2 3.18Å; R1386-D1390 PolarHBondContact O-N 3.08Å; R1386-E1511 VanDerWaalsContact CD-OE1 3.26Å; R1386-E1511 WeakPolarHBondContact CD-OE1 3.48Å; R1386-E1511 WeakPolarHBondContact CD-OE2 3.37Å; R1386-E1511 IonicContact CZ-OE1 3.22Å; R1386-E1511 IonicContact CZ-OE2 3.12Å; R1386-E1511 VanDerWaalsContact CZ-OE2 3.24Å; R1386-E1511 IonicContact NE-OE1 3.01Å; R1386-E1511 PolarHBondContact NE-OE1 3.42Å; R1386-E1511 IonicContact NE-OE2 2.92Å; R1386-E1511 PolarHBondContact NE-OE2 2.9Å; R1386-E1511 VanDerWaalsContact NE-OE2 3.15Å; R1386-E1511 IonicContact NH1-OE1 3.73Å; R1386-E1511 IonicContact NH1-OE2 2.84Å; R1386-E1511 PolarHBondContact NH1-OE2 3.09Å; R1386-E1511 VanDerWaalsContact NH2-CD 3.35Å; R1386-E1511 IonicContact NH2-OE1 3.24Å; R1386-E1511 PolarHBondContact NH2-OE1 3.4Å; R1386-E1511 IonicContact NH2-OE2 2.95Å; R1386-E1511 PolarHBondContact NH2-OE2 3.11Å; R1386-K1515 HydrophobicContact CG-CD 4.45Å |
| 1387 | F | 95.2 | Very high | 91.3 | Very high | 9.2 Ų | 9.2 | 24.3 Ų | 24.3 | 4% | 0.04 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 177.7 | 172.8 | -100.6 | 0 | 0 | 0 | 112.2 | L1219 I1223 L1345 R1346 V1349 S1383 V1384 Y1389 D1390 T1391 | L1219-F1387 HydrophobicContact CB-CB 4.36Å; L1219-F1387 HydrophobicContact CB-CD2 3.93Å; L1219-F1387 HydrophobicContact CB-CG 4.27Å; L1219-F1387 HydrophobicContact CD1-CB 4Å; L1219-F1387 HydrophobicContact CD1-CG 4.4Å; L1219-F1387 HydrophobicContact CD2-CB 4.48Å; L1219-F1387 HydrophobicContact CD2-CD1 4.16Å; L1219-F1387 HydrophobicContact CD2-CD2 4.16Å; L1219-F1387 HydrophobicContact CD2-CE1 4.44Å; L1219-F1387 HydrophobicContact CD2-CE2 4.42Å; L1219-F1387 HydrophobicContact CD2-CG 4.02Å; L1219-F1387 HydrophobicContact CG-CB 4.49Å; L1219-F1387 HydrophobicContact CG-CD2 4.48Å; L1219-F1387 HydrophobicContact CG-CG 4.45Å; L1219-F1387 WeakPolarHBondContact O-CD2 3.27Å; I1223-F1387 HydrophobicContact CD1-CD2 4.39Å; I1223-F1387 HydrophobicContact CD1-CE2 3.76Å; I1223-F1387 HydrophobicContact CD1-CZ 4.2Å; I1223-F1387 HydrophobicContact CG1-CE2 4.1Å; L1345-F1387 HydrophobicContact CD2-CD1 4.19Å; L1345-F1387 HydrophobicContact CD2-CE1 4.46Å; R1346-F1387 HydrophobicContact CB-CZ 4.29Å; R1346-F1387 HydrophobicContact CG-CE2 4.49Å; R1346-F1387 HydrophobicContact CG-CZ 4.19Å; V1349-F1387 HydrophobicContact CB-CE1 4.34Å; V1349-F1387 HydrophobicContact CB-CZ 4.47Å; V1349-F1387 HydrophobicContact CG1-CE1 4.41Å; V1349-F1387 HydrophobicContact CG1-CZ 4.3Å; V1349-F1387 HydrophobicContact CG2-CE1 4.17Å; S1383-F1387 PolarHBondContact O-N 3.05Å; S1383-F1387 VanDerWaalsContact O-N 3.13Å; V1384-F1387 PolarHBondContact O-N 3Å; F1387-Y1389 VanDerWaalsContact C-N 3.35Å; F1387-Y1389 PolarHBondContact O-N 3.42Å; F1387-D1390 PolarHBondContact O-N 3.18Å; F1387-T1391 WeakPolarHBondContact O-CB 3.4Å; F1387-T1391 PolarHBondContact O-N 3.13Å; F1387-T1391 PolarHBondContact O-OG1 3.25Å |
| 1388 | L | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | 175.3 | -70 | 175.3 | 0 | 0 | 0 | 112.5 | V1196 V1349 L1362 P1372 F1373 A1376 V1384 A1385 R1386 T1391 I1392 | V1196-L1388 HydrophobicContact CG2-CD1 3.79Å; V1349-L1388 HydrophobicContact CG2-CD2 4.47Å; L1362-L1388 HydrophobicContact CD2-CD2 4.04Å; P1372-L1388 HydrophobicContact CB-CD1 4.42Å; F1373-L1388 HydrophobicContact CD2-CB 4.18Å; A1376-L1388 HydrophobicContact CB-CD1 4.47Å; V1384-L1388 HydrophobicContact CG1-CD1 4.19Å; V1384-L1388 WeakPolarHBondContact O-CG 3.32Å; V1384-L1388 PolarHBondContact O-N 3.1Å; A1385-L1388 PolarHBondContact O-N 3Å; R1386-L1388 VanDerWaalsContact C-N 3.32Å; R1386-L1388 PolarHBondContact O-N 3.04Å; L1388-T1391 WeakPolarHBondContact O-CB 3.4Å; L1388-T1391 PolarHBondContact O-N 3.16Å; L1388-I1392 WeakPolarHBondContact O-CB 3.38Å; L1388-I1392 VanDerWaalsContact O-CD1 3.31Å; L1388-I1392 WeakPolarHBondContact O-CD1 3.3Å; L1388-I1392 VanDerWaalsContact O-CG1 3.24Å; L1388-I1392 WeakPolarHBondContact O-CG1 3.37Å; L1388-I1392 PolarHBondContact O-N 3.1Å |
| 1389 | Y | 93.3 | Very high | 87.8 | Confident | 13.4 Ų | 13.4 | 29.9 Ų | 29.9 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 173.6 | 176.8 | -87.3 | 0 | 0 | 0 | 111.7 | F1373 A1385 R1386 F1387 T1391 I1392 R1393 F1416 L1512 K1515 L1516 T1520 | F1373-Y1389 HydrophobicContact CZ-CD2 4.45Å; A1385-Y1389 WeakPolarHBondContact O-CB 3.35Å; A1385-Y1389 PolarHBondContact O-N 2.98Å; R1386-Y1389 WeakPolarHBondContact O-CB 3.38Å; R1386-Y1389 PolarHBondContact O-N 3.29Å; R1386-Y1389 VanDerWaalsContact O-N 3.11Å; F1387-Y1389 VanDerWaalsContact C-N 3.35Å; F1387-Y1389 PolarHBondContact O-N 3.42Å; Y1389-T1391 VanDerWaalsContact C-N 3.3Å; Y1389-T1391 PolarHBondContact O-N 3.05Å; Y1389-I1392 PolarHBondContact O-N 3.08Å; Y1389-R1393 HydrophobicContact CD1-CG 4.17Å; Y1389-R1393 HydrophobicContact CE1-CG 3.71Å; Y1389-R1393 HydrophobicContact CE2-CG 4.47Å; Y1389-R1393 WeakPolarHBondContact O-CB 3.37Å; Y1389-R1393 WeakPolarHBondContact O-CG 3.34Å; Y1389-R1393 PolarHBondContact O-N 3.22Å; Y1389-F1416 HydrophobicContact CD2-CD1 4.33Å; Y1389-F1416 AromaticContact CD2-CE1 3.5Å; Y1389-F1416 HydrophobicContact CD2-CE1 3.5Å; Y1389-F1416 VanDerWaalsContact CD2-CE1 3.45Å; Y1389-F1416 HydrophobicContact CD2-CE2 4.45Å; Y1389-F1416 AromaticContact CD2-CZ 3.62Å; Y1389-F1416 HydrophobicContact CD2-CZ 3.62Å; Y1389-F1416 HydrophobicContact CE2-CE1 4.09Å; Y1389-F1416 HydrophobicContact CE2-CE2 4.3Å; Y1389-F1416 AromaticContact CE2-CZ 3.8Å; Y1389-F1416 HydrophobicContact CE2-CZ 3.8Å; Y1389-F1416 HydrophobicContact CG-CE1 4.35Å; Y1389-F1416 HydrophobicContact CG-CZ 4.45Å; Y1389-L1512 HydrophobicContact CG-CD1 4.4Å; Y1389-K1515 HydrophobicContact CD1-CB 4.21Å; Y1389-K1515 HydrophobicContact CD1-CD 3.93Å; Y1389-K1515 HydrophobicContact CE1-CB 3.82Å; Y1389-K1515 HydrophobicContact CE1-CD 4Å; Y1389-K1515 HydrophobicContact CE1-CG 4.25Å; Y1389-K1515 PolarHBondContact OH-O 3.2Å; Y1389-L1516 HydrophobicContact CD2-CD2 3.95Å; Y1389-L1516 HydrophobicContact CE2-CD2 3.94Å; Y1389-L1516 HydrophobicContact CE2-CG 4.47Å; Y1389-T1520 HydrophobicContact CE2-CG2 4.18Å |
| 1390 | D | 91.7 | Very high | 85.8 | Confident | 45.8 Ų | 45.8 | 36.6 Ų | 36.6 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 178.8 | -65.5 | -37 | 0 | 0 | 0 | 111.2 | R1386 F1387 R1393 C1394 K1515 | R1386-D1390 WeakPolarHBondContact CG-OD2 3.45Å; R1386-D1390 IonicContact NE-OD2 3.18Å; R1386-D1390 PolarHBondContact O-N 3.08Å; F1387-D1390 PolarHBondContact O-N 3.18Å; D1390-R1393 PolarHBondContact O-N 3.05Å; D1390-C1394 PolarHBondContact O-N 3.2Å; D1390-C1394 VanDerWaalsContact O-N 3.15Å; D1390-C1394 PolarHBondContact O-SG 2.96Å; D1390-C1394 VanDerWaalsContact O-SG 3.39Å; D1390-K1515 VanDerWaalsContact CG-NZ 3.26Å; D1390-K1515 WeakPolarHBondContact OD1-CE 3.46Å; D1390-K1515 IonicContact OD1-NZ 3.18Å; D1390-K1515 PolarHBondContact OD1-NZ 3.13Å; D1390-K1515 IonicContact OD2-NZ 2.87Å; D1390-K1515 PolarHBondContact OD2-NZ 3.26Å |
| 1391 | T | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -51.7 | 171.7 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | I1223 V1349 F1387 L1388 Y1389 R1393 C1394 I1395 | I1223-T1391 WeakPolarHBondContact CD1-OG1 3.33Å; V1349-T1391 HydrophobicContact CG1-CG2 3.52Å; V1349-T1391 VanDerWaalsContact CG1-CG2 3.49Å; F1387-T1391 WeakPolarHBondContact O-CB 3.4Å; F1387-T1391 PolarHBondContact O-N 3.13Å; F1387-T1391 PolarHBondContact O-OG1 3.25Å; L1388-T1391 WeakPolarHBondContact O-CB 3.4Å; L1388-T1391 PolarHBondContact O-N 3.16Å; Y1389-T1391 VanDerWaalsContact C-N 3.3Å; Y1389-T1391 PolarHBondContact O-N 3.05Å; T1391-R1393 VanDerWaalsContact C-N 3.29Å; T1391-R1393 PolarHBondContact O-N 3.27Å; T1391-C1394 PolarHBondContact O-N 3.12Å; T1391-C1394 VanDerWaalsContact O-N 3.15Å; T1391-I1395 HydrophobicContact CG2-CD1 3.91Å; T1391-I1395 WeakPolarHBondContact O-CG1 3.34Å; T1391-I1395 PolarHBondContact O-N 3.14Å |
| 1392 | I | 89.6 | Confident | 80.7 | Confident | 0.6 Ų | 0.6 | 46.1 Ų | 46.1 | 0% | 0.003 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -41 | -179.4 | -70 | 157.9 | 0 | 0 | 0 | 110.3 | L1362 F1373 L1388 Y1389 C1394 I1395 S1396 F1415 F1416 | L1362-I1392 HydrophobicContact CD1-CG1 4.06Å; L1362-I1392 HydrophobicContact CD2-CG1 4.48Å; F1373-I1392 HydrophobicContact CB-CD1 4.38Å; L1388-I1392 WeakPolarHBondContact O-CB 3.38Å; L1388-I1392 VanDerWaalsContact O-CD1 3.31Å; L1388-I1392 WeakPolarHBondContact O-CD1 3.3Å; L1388-I1392 VanDerWaalsContact O-CG1 3.24Å; L1388-I1392 WeakPolarHBondContact O-CG1 3.37Å; L1388-I1392 PolarHBondContact O-N 3.1Å; Y1389-I1392 PolarHBondContact O-N 3.08Å; I1392-C1394 PolarHBondContact O-N 3.08Å; I1392-I1395 PolarHBondContact O-N 3.11Å; I1392-I1395 VanDerWaalsContact O-N 3.15Å; I1392-S1396 WeakPolarHBondContact O-CB 3.43Å; I1392-S1396 PolarHBondContact O-N 3.13Å; I1392-S1396 PolarHBondContact O-OG 3.03Å; I1392-F1415 HydrophobicContact CD1-CB 4.13Å; I1392-F1415 HydrophobicContact CD1-CD1 4.45Å; I1392-F1415 HydrophobicContact CG1-CB 4.43Å; I1392-F1415 HydrophobicContact CG1-CD1 4.23Å; I1392-F1415 HydrophobicContact CG1-CG 4.43Å; I1392-F1415 HydrophobicContact CG2-CB 3.74Å; I1392-F1415 HydrophobicContact CG2-CD1 4.05Å; I1392-F1415 HydrophobicContact CG2-CD2 3.91Å; I1392-F1415 HydrophobicContact CG2-CE2 4.43Å; I1392-F1415 HydrophobicContact CG2-CG 3.65Å; I1392-F1416 HydrophobicContact CB-CE1 4.2Å; I1392-F1416 HydrophobicContact CB-CZ 3.97Å; I1392-F1416 HydrophobicContact CD1-CD1 4.33Å; I1392-F1416 HydrophobicContact CD1-CE1 3.7Å; I1392-F1416 HydrophobicContact CD1-CZ 4.32Å; I1392-F1416 HydrophobicContact CG2-CE1 4Å; I1392-F1416 HydrophobicContact CG2-CE2 4.02Å; I1392-F1416 HydrophobicContact CG2-CZ 3.47Å; I1392-F1416 VanDerWaalsContact CG2-CZ 3.41Å |
| 1393 | R | 86.1 | Confident | 78.1 | Confident | 72.2 Ų | 72.2 | 52.5 Ų | 52.5 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 174.3 | -108.2 | -115.8 | 76.3 | 120.2 | -2.3 | 112 | Y1389 D1390 T1391 I1395 S1396 E1397 G1519 L1719 | Y1389-R1393 HydrophobicContact CD1-CG 4.17Å; Y1389-R1393 HydrophobicContact CE1-CG 3.71Å; Y1389-R1393 HydrophobicContact CE2-CG 4.47Å; Y1389-R1393 WeakPolarHBondContact O-CB 3.37Å; Y1389-R1393 WeakPolarHBondContact O-CG 3.34Å; Y1389-R1393 PolarHBondContact O-N 3.22Å; D1390-R1393 PolarHBondContact O-N 3.05Å; T1391-R1393 VanDerWaalsContact C-N 3.29Å; T1391-R1393 PolarHBondContact O-N 3.27Å; R1393-I1395 VanDerWaalsContact C-N 3.31Å; R1393-I1395 PolarHBondContact O-N 3.14Å; R1393-S1396 PolarHBondContact NH2-OG 3.13Å; R1393-S1396 CarbonylContact O-C 3.6Å; R1393-S1396 WeakPolarHBondContact O-CA 3.19Å; R1393-S1396 VanDerWaalsContact O-CB 3.31Å; R1393-S1396 WeakPolarHBondContact O-CB 3.26Å; R1393-S1396 PolarHBondContact O-N 3.09Å; R1393-E1397 WeakPolarHBondContact CD-OE1 3.45Å; R1393-E1397 HydrophobicContact CG-CG 4.39Å; R1393-E1397 WeakPolarHBondContact CG-OE1 3.37Å; R1393-E1397 IonicContact CZ-OE1 3.03Å; R1393-E1397 IonicContact CZ-OE2 3.4Å; R1393-E1397 IonicContact NE-OE1 3.17Å; R1393-E1397 VanDerWaalsContact NH1-CD 3.31Å; R1393-E1397 IonicContact NH1-OE1 2.65Å; R1393-E1397 PolarHBondContact NH1-OE1 2.86Å; R1393-E1397 IonicContact NH1-OE2 3.64Å; R1393-E1397 PolarHBondContact NH1-OE2 3.05Å; R1393-E1397 VanDerWaalsContact NH1-OE2 3.14Å; R1393-E1397 WeakPolarHBondContact O-CB 3.26Å; R1393-E1397 VanDerWaalsContact O-CG 3.32Å; R1393-E1397 WeakPolarHBondContact O-CG 3.32Å; R1393-E1397 PolarHBondContact O-N 3.11Å; R1393-G1519 PolarHBondContact NH1-O 3.27Å; R1393-L1719 HydrophobicContact CB-CD1 4.05Å; R1393-L1719 HydrophobicContact CG-CD1 3.87Å |
| 1394 | C | 85.8 | Confident | 75.6 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 177.8 | -104.7 | 0 | 0 | 0 | 0 | 113 | F1224 D1390 T1391 I1392 E1397 S1398 | F1224-C1394 HydrophobicContact CD2-CB 4.37Å; F1224-C1394 HydrophobicContact CE2-CB 4.24Å; D1390-C1394 PolarHBondContact O-N 3.2Å; D1390-C1394 VanDerWaalsContact O-N 3.15Å; D1390-C1394 PolarHBondContact O-SG 2.96Å; D1390-C1394 VanDerWaalsContact O-SG 3.39Å; T1391-C1394 PolarHBondContact O-N 3.12Å; T1391-C1394 VanDerWaalsContact O-N 3.15Å; I1392-C1394 PolarHBondContact O-N 3.08Å; C1394-E1397 PolarHBondContact O-N 3.08Å; C1394-S1398 PolarHBondContact O-N 3.2Å; C1394-S1398 PolarHBondContact O-OG 3.28Å |
| 1395 | I | 83.4 | Confident | 72.8 | Confident | 28.4 Ų | 28.4 | 64.6 Ų | 64.6 | 15% | 0.146 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 174.5 | -64.5 | 165.5 | 0 | 0 | 0 | 111 | L1358 I1359 L1362 T1391 I1392 R1393 E1397 S1398 | L1358-I1395 HydrophobicContact CD2-CD1 3.68Å; L1358-I1395 HydrophobicContact CG-CD1 4.05Å; I1359-I1395 HydrophobicContact CD1-CG2 3.96Å; I1359-I1395 HydrophobicContact CG1-CG2 3.98Å; L1362-I1395 HydrophobicContact CD1-CD1 3.9Å; T1391-I1395 HydrophobicContact CG2-CD1 3.91Å; T1391-I1395 WeakPolarHBondContact O-CG1 3.34Å; T1391-I1395 PolarHBondContact O-N 3.14Å; I1392-I1395 PolarHBondContact O-N 3.11Å; I1392-I1395 VanDerWaalsContact O-N 3.15Å; R1393-I1395 VanDerWaalsContact C-N 3.31Å; R1393-I1395 PolarHBondContact O-N 3.14Å; I1395-E1397 VanDerWaalsContact C-N 3.27Å; I1395-E1397 PolarHBondContact O-N 3.21Å; I1395-S1398 PolarHBondContact O-N 2.92Å; I1395-S1398 VanDerWaalsContact O-N 3.12Å; I1395-S1398 PolarHBondContact O-OG 3.14Å; I1395-S1398 VanDerWaalsContact O-OG 3.13Å |
| 1396 | S | 77.6 | Confident | 70.1 | Confident | 40.8 Ų | 40.8 | 74.9 Ų | 74.9 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -24.2 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | I1392 R1393 F1718 L1719 | I1392-S1396 WeakPolarHBondContact O-CB 3.43Å; I1392-S1396 PolarHBondContact O-N 3.13Å; I1392-S1396 PolarHBondContact O-OG 3.03Å; R1393-S1396 PolarHBondContact NH2-OG 3.13Å; R1393-S1396 CarbonylContact O-C 3.6Å; R1393-S1396 WeakPolarHBondContact O-CA 3.19Å; R1393-S1396 VanDerWaalsContact O-CB 3.31Å; R1393-S1396 WeakPolarHBondContact O-CB 3.26Å; R1393-S1396 PolarHBondContact O-N 3.09Å; S1396-F1718 WeakPolarHBondContact O-CB 3.45Å; S1396-L1719 VanDerWaalsContact CB-CD1 3.42Å |
| 1397 | E | 74.2 | Confident | 67.4 | Low | 114.8 Ų | 114.8 | 76.6 Ų | 76.6 | 54% | 0.536 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -92.1 | -7.5 | -176.9 | -74.8 | 166.4 | -162.1 | 0 | 0 | 113.5 | R1393 C1394 I1395 P1399 L1719 | R1393-E1397 WeakPolarHBondContact CD-OE1 3.45Å; R1393-E1397 HydrophobicContact CG-CG 4.39Å; R1393-E1397 WeakPolarHBondContact CG-OE1 3.37Å; R1393-E1397 IonicContact CZ-OE1 3.03Å; R1393-E1397 IonicContact CZ-OE2 3.4Å; R1393-E1397 IonicContact NE-OE1 3.17Å; R1393-E1397 VanDerWaalsContact NH1-CD 3.31Å; R1393-E1397 IonicContact NH1-OE1 2.65Å; R1393-E1397 PolarHBondContact NH1-OE1 2.86Å; R1393-E1397 IonicContact NH1-OE2 3.64Å; R1393-E1397 PolarHBondContact NH1-OE2 3.05Å; R1393-E1397 VanDerWaalsContact NH1-OE2 3.14Å; R1393-E1397 WeakPolarHBondContact O-CB 3.26Å; R1393-E1397 VanDerWaalsContact O-CG 3.32Å; R1393-E1397 WeakPolarHBondContact O-CG 3.32Å; R1393-E1397 PolarHBondContact O-N 3.11Å; C1394-E1397 PolarHBondContact O-N 3.08Å; I1395-E1397 VanDerWaalsContact C-N 3.27Å; I1395-E1397 PolarHBondContact O-N 3.21Å; E1397-P1399 VanDerWaalsContact O-CD 3.27Å; E1397-P1399 WeakPolarHBondContact O-CD 3.33Å; E1397-L1719 HydrophobicContact CG-CD1 4.14Å |
| 1398 | S | 63 | Low | 64.6 | Low | 56.2 Ų | 56.2 | 81.6 Ų | 81.6 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | trans | -101.3 | 100.8 | -176.6 | 67 | 0 | 0 | 0 | 0 | 113.3 | C1394 I1395 E1400 | C1394-S1398 PolarHBondContact O-N 3.2Å; C1394-S1398 PolarHBondContact O-OG 3.28Å; I1395-S1398 PolarHBondContact O-N 2.92Å; I1395-S1398 VanDerWaalsContact O-N 3.12Å; I1395-S1398 PolarHBondContact O-OG 3.14Å; I1395-S1398 VanDerWaalsContact O-OG 3.13Å; S1398-E1400 VanDerWaalsContact C-N 3.31Å; S1398-E1400 PolarHBondContact O-N 2.87Å | ||
| 1399 | P | 52.8 | Low | 62 | Low | 103.2 Ų | 103.2 | 86.7 Ų | 86.7 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -78.3 | -17.5 | -176 | 12.4 | -9.5 | 0 | 0 | 0 | 114.8 | E1397 N1401 S1402 | E1397-P1399 VanDerWaalsContact O-CD 3.27Å; E1397-P1399 WeakPolarHBondContact O-CD 3.33Å; P1399-N1401 VanDerWaalsContact C-N 3.31Å; P1399-N1401 PolarHBondContact O-N 2.94Å; P1399-S1402 PolarHBondContact O-OG 3.15Å |
| 1400 | E | 51.5 | Low | 59.8 | Low | 183 Ų | 183 | 89.9 Ų | 89.9 | 86% | 0.855 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -89.5 | -3.1 | -164.5 | -59.5 | -172.5 | 153.9 | 0 | 0 | 115.1 | S1398 S1402 | S1398-E1400 VanDerWaalsContact C-N 3.31Å; S1398-E1400 PolarHBondContact O-N 2.87Å; E1400-S1402 VanDerWaalsContact C-N 3.32Å; E1400-S1402 PolarHBondContact O-N 3.24Å |
| 1401 | N | 44.4 | Very low | 57.8 | Low | 116.2 Ų | 116.2 | 91 Ų | 91 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -93 | 13.8 | 177.1 | -92.4 | -18.2 | 0 | 0 | 0 | 113.8 | P1399 T1403 | P1399-N1401 VanDerWaalsContact C-N 3.31Å; P1399-N1401 PolarHBondContact O-N 2.94Å; N1401-T1403 VanDerWaalsContact C-N 3.32Å; N1401-T1403 PolarHBondContact O-N 3.23Å |
| 1402 | S | 40.2 | Very low | 55.9 | Low | 93.4 Ų | 93.4 | 93.6 Ų | 93.6 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | trans | -78.1 | 67.6 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | P1399 E1400 V1404 | P1399-S1402 PolarHBondContact O-OG 3.15Å; E1400-S1402 VanDerWaalsContact C-N 3.32Å; E1400-S1402 PolarHBondContact O-N 3.24Å; S1402-V1404 PolarHBondContact O-N 3.03Å | ||
| 1403 | T | 42.4 | Very low | 54.4 | Low | 133.8 Ų | 133.8 | 96.5 Ų | 96.5 | 82% | 0.821 | 54% | 0.544 | S | S | * | . | trans | -101.1 | 19.5 | 166.5 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | N1401 | N1401-T1403 VanDerWaalsContact C-N 3.32Å; N1401-T1403 PolarHBondContact O-N 3.23Å | ||
| 1404 | V | 44 | Very low | 53.5 | Low | 100.8 Ų | 100.8 | 96.2 Ų | 96.2 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | trans | -125.3 | 75.1 | -175.6 | -154.4 | 0 | 0 | 0 | 0 | 109.7 | S1402 Y1406 V1407 | S1402-V1404 PolarHBondContact O-N 3.03Å; V1404-Y1406 PolarHBondContact O-N 2.93Å; V1404-V1407 HydrophobicContact CG1-CG2 4.31Å | ||
| 1405 | D | 36.6 | Very low | 52.9 | Low | 157.4 Ų | 157.4 | 94.6 Ų | 94.6 | 84% | 0.842 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 24.3 | -175.8 | -100.9 | -24.8 | 0 | 0 | 0 | 114.6 | ||
| 1406 | Y | 39.8 | Very low | 52.7 | Low | 216.6 Ų | 216.6 | 93.8 Ų | 93.8 | 85% | 0.849 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | 23.8 | -166.5 | -88.9 | -81.9 | 0 | 0 | 0 | 115.3 | V1404 | V1404-Y1406 PolarHBondContact O-N 2.93Š|
| 1407 | V | 39.8 | Very low | 52.5 | Low | 76 Ų | 76 | 92.6 Ų | 92.6 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | trans | -130.9 | 100 | 162.4 | -172.6 | 0 | 0 | 0 | 0 | 110 | V1404 D1409 P1410 L1413 | V1404-V1407 HydrophobicContact CG1-CG2 4.31Å; V1407-D1409 PolarHBondContact O-N 3.28Å; V1407-D1409 VanDerWaalsContact O-N 3.17Å; V1407-P1410 HydrophobicContact CB-CB 4.38Å; V1407-P1410 HydrophobicContact CB-CG 4.28Å; V1407-P1410 HydrophobicContact CG1-CB 3.95Å; V1407-P1410 HydrophobicContact CG1-CG 4.23Å; V1407-L1413 HydrophobicContact CG1-CD1 3.95Å; V1407-L1413 HydrophobicContact CG1-CD2 4.33Å; V1407-L1413 HydrophobicContact CG1-CG 3.93Å | ||
| 1408 | S | 34.8 | Very low | 52.3 | Low | 113.6 Ų | 113.6 | 87.4 Ų | 87.4 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -75.7 | 86.1 | 170.3 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Y2080 | S1408-Y2080 PolarHBondContact O-OH 3.49Å; S1408-Y2080 VanDerWaalsContact O-OH 3.12Å |
| 1409 | D | 41.6 | Very low | 52.1 | Low | 108.2 Ų | 108.2 | 89.7 Ų | 89.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | trans | 106.5 | 105.2 | 174.9 | -152.6 | -6.5 | 0 | 0 | 0 | 114.4 | V1407 S1411 S1412 | V1407-D1409 PolarHBondContact O-N 3.28Å; V1407-D1409 VanDerWaalsContact O-N 3.17Å; D1409-S1411 VanDerWaalsContact C-N 3.29Å; D1409-S1411 PolarHBondContact O-N 3.07Å; D1409-S1411 WeakPolarHBondContact OD1-CA 3.5Å; D1409-S1411 VanDerWaalsContact OD1-CB 3.24Å; D1409-S1411 WeakPolarHBondContact OD1-CB 3.27Å; D1409-S1411 PolarHBondContact OD1-N 3.15Å; D1409-S1411 PolarHBondContact OD1-OG 3.2Å; D1409-S1411 PolarHBondContact OD2-OG 3.17Å; D1409-S1411 VanDerWaalsContact OD2-OG 3.08Å; D1409-S1412 WeakPolarHBondContact O-CB 3.32Å; D1409-S1412 PolarHBondContact O-N 2.81Å; D1409-S1412 VanDerWaalsContact O-N 3.08Å; D1409-S1412 PolarHBondContact O-OG 3.34Å | ||
| 1410 | P | 46 | Very low | 52.2 | Low | 80.6 Ų | 80.6 | 87.3 Ų | 87.3 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | trans | -72.8 | 44.1 | -177.4 | 21.2 | -22.1 | 0 | 0 | 0 | 112.7 | V1407 S1412 L1413 F1718 | V1407-P1410 HydrophobicContact CB-CB 4.38Å; V1407-P1410 HydrophobicContact CB-CG 4.28Å; V1407-P1410 HydrophobicContact CG1-CB 3.95Å; V1407-P1410 HydrophobicContact CG1-CG 4.23Å; P1410-S1412 VanDerWaalsContact C-N 3.26Å; P1410-S1412 PolarHBondContact O-N 3.08Å; P1410-L1413 PolarHBondContact O-N 3.41Å; P1410-L1413 VanDerWaalsContact O-N 3.14Å; P1410-F1718 HydrophobicContact CG-CE1 3.84Å; P1410-F1718 HydrophobicContact CG-CZ 4.17Å | ||
| 1411 | S | 50.5 | Low | 52.9 | Low | 68.8 Ų | 68.8 | 80 Ų | 80 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | trans | -63.3 | 24.6 | 177.9 | 76.9 | 0 | 0 | 0 | 0 | 113.2 | D1409 L1413 D1414 F1415 F1718 | D1409-S1411 VanDerWaalsContact C-N 3.29Å; D1409-S1411 PolarHBondContact O-N 3.07Å; D1409-S1411 WeakPolarHBondContact OD1-CA 3.5Å; D1409-S1411 VanDerWaalsContact OD1-CB 3.24Å; D1409-S1411 WeakPolarHBondContact OD1-CB 3.27Å; D1409-S1411 PolarHBondContact OD1-N 3.15Å; D1409-S1411 PolarHBondContact OD1-OG 3.2Å; D1409-S1411 PolarHBondContact OD2-OG 3.17Å; D1409-S1411 VanDerWaalsContact OD2-OG 3.08Å; S1411-L1413 VanDerWaalsContact C-N 3.28Å; S1411-L1413 PolarHBondContact O-N 3.17Å; S1411-D1414 PolarHBondContact O-N 2.95Å; S1411-D1414 VanDerWaalsContact O-N 3.12Å; S1411-F1415 WeakPolarHBondContact O-CD2 3.4Å; S1411-F1415 VanDerWaalsContact O-CE2 3.29Å; S1411-F1415 WeakPolarHBondContact O-CE2 3.34Å; S1411-F1718 WeakPolarHBondContact OG-CE1 3.35Å | ||
| 1412 | S | 51 | Low | 54.4 | Low | 54.8 Ų | 54.8 | 79.7 Ų | 79.7 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -72 | -13.9 | 178.3 | 63.4 | 0 | 0 | 0 | 0 | 114 | D1409 P1410 D1414 F1416 | D1409-S1412 WeakPolarHBondContact O-CB 3.32Å; D1409-S1412 PolarHBondContact O-N 2.81Å; D1409-S1412 VanDerWaalsContact O-N 3.08Å; D1409-S1412 PolarHBondContact O-OG 3.34Å; P1410-S1412 VanDerWaalsContact C-N 3.26Å; P1410-S1412 PolarHBondContact O-N 3.08Å; S1412-D1414 VanDerWaalsContact C-N 3.33Å; S1412-D1414 PolarHBondContact O-N 3.26Å; S1412-F1416 VanDerWaalsContact O-CD2 3.32Å; S1412-F1416 WeakPolarHBondContact O-CD2 3.27Å |
| 1413 | L | 57.8 | Low | 56.3 | Low | 61.2 Ų | 61.2 | 79.6 Ų | 79.6 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | trans | -77.7 | 4.5 | 175.7 | -67.2 | 172.9 | 0 | 0 | 0 | 112.1 | I1359 T1363 V1407 P1410 S1411 F1415 F1416 S1417 L1522 | I1359-L1413 HydrophobicContact CG2-CD1 3.94Å; I1359-L1413 HydrophobicContact CG2-CD2 4.24Å; T1363-L1413 HydrophobicContact CG2-CD2 4.45Å; V1407-L1413 HydrophobicContact CG1-CD1 3.95Å; V1407-L1413 HydrophobicContact CG1-CD2 4.33Å; V1407-L1413 HydrophobicContact CG1-CG 3.93Å; P1410-L1413 PolarHBondContact O-N 3.41Å; P1410-L1413 VanDerWaalsContact O-N 3.14Å; S1411-L1413 VanDerWaalsContact C-N 3.28Å; S1411-L1413 PolarHBondContact O-N 3.17Å; L1413-F1415 VanDerWaalsContact C-N 3.27Å; L1413-F1415 HydrophobicContact CB-CD2 4.19Å; L1413-F1415 HydrophobicContact CB-CE2 3.72Å; L1413-F1415 HydrophobicContact CB-CZ 4.18Å; L1413-F1415 HydrophobicContact CD1-CE2 4.06Å; L1413-F1415 HydrophobicContact CD1-CZ 4.14Å; L1413-F1415 WeakPolarHBondContact O-CD2 3.25Å; L1413-F1415 WeakPolarHBondContact O-CE2 3.23Å; L1413-F1415 PolarHBondContact O-N 2.98Å; L1413-F1415 VanDerWaalsContact O-N 3.11Å; L1413-F1416 PolarHBondContact O-N 3.01Å; L1413-S1417 CarbonylContact O-C 3.39Å; L1413-S1417 VanDerWaalsContact O-C 3.3Å; L1413-S1417 PolarHBondContact O-N 3.02Å; L1413-L1522 HydrophobicContact CD2-CD2 4.19Å | ||
| 1414 | D | 66.6 | Low | 58.2 | Low | 64.4 Ų | 64.4 | 75 Ų | 75 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | trans | -66.5 | 17.8 | -179.6 | -108.9 | -26.2 | 0 | 0 | 0 | 113.3 | S1411 S1412 F1416 S1417 P1418 A1419 | S1411-D1414 PolarHBondContact O-N 2.95Å; S1411-D1414 VanDerWaalsContact O-N 3.12Å; S1412-D1414 VanDerWaalsContact C-N 3.33Å; S1412-D1414 PolarHBondContact O-N 3.26Å; D1414-F1416 PolarHBondContact O-N 2.94Å; D1414-F1416 PolarHBondContact OD1-N 2.6Å; D1414-S1417 PolarHBondContact OD1-N 2.93Å; D1414-P1418 VanDerWaalsContact CB-CA 3.41Å; D1414-P1418 HydrophobicContact CB-CB 4.37Å; D1414-P1418 WeakPolarHBondContact O-CG 3.47Å; D1414-P1418 WeakPolarHBondContact OD1-CA 3.37Å; D1414-P1418 VanDerWaalsContact OD1-CB 3.31Å; D1414-P1418 WeakPolarHBondContact OD1-CB 3.41Å; D1414-A1419 PolarHBondContact OD1-N 3.01Å; D1414-A1419 PolarHBondContact OD2-N 3.48Å; D1414-A1419 VanDerWaalsContact OD2-N 3.1Å | ||
| 1415 | F | 73.3 | Confident | 60 | Low | 14.6 Ų | 14.6 | 71.2 Ų | 71.2 | 6% | 0.064 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -69.4 | -28.9 | 172.3 | -65.8 | -85.7 | 0 | 0 | 0 | 113.4 | I1359 L1362 T1363 T1371 I1392 S1411 L1413 | I1359-F1415 HydrophobicContact CB-CE1 4.42Å; I1359-F1415 HydrophobicContact CG1-CE1 4.35Å; I1359-F1415 HydrophobicContact CG1-CZ 4.22Å; I1359-F1415 HydrophobicContact CG2-CE1 4.09Å; I1359-F1415 HydrophobicContact CG2-CZ 3.98Å; L1362-F1415 HydrophobicContact CB-CD1 4.11Å; L1362-F1415 HydrophobicContact CB-CE1 4.3Å; T1363-F1415 HydrophobicContact CG2-CD1 3.59Å; T1363-F1415 VanDerWaalsContact CG2-CD1 3.48Å; T1363-F1415 HydrophobicContact CG2-CE1 3.66Å; T1363-F1415 HydrophobicContact CG2-CG 4.19Å; T1363-F1415 HydrophobicContact CG2-CZ 4.3Å; T1371-F1415 PolarHBondContact OG1-O 3.03Å; I1392-F1415 HydrophobicContact CD1-CB 4.13Å; I1392-F1415 HydrophobicContact CD1-CD1 4.45Å; I1392-F1415 HydrophobicContact CG1-CB 4.43Å; I1392-F1415 HydrophobicContact CG1-CD1 4.23Å; I1392-F1415 HydrophobicContact CG1-CG 4.43Å; I1392-F1415 HydrophobicContact CG2-CB 3.74Å; I1392-F1415 HydrophobicContact CG2-CD1 4.05Å; I1392-F1415 HydrophobicContact CG2-CD2 3.91Å; I1392-F1415 HydrophobicContact CG2-CE2 4.43Å; I1392-F1415 HydrophobicContact CG2-CG 3.65Å; S1411-F1415 WeakPolarHBondContact O-CD2 3.4Å; S1411-F1415 VanDerWaalsContact O-CE2 3.29Å; S1411-F1415 WeakPolarHBondContact O-CE2 3.34Å; L1413-F1415 VanDerWaalsContact C-N 3.27Å; L1413-F1415 HydrophobicContact CB-CD2 4.19Å; L1413-F1415 HydrophobicContact CB-CE2 3.72Å; L1413-F1415 HydrophobicContact CB-CZ 4.18Å; L1413-F1415 HydrophobicContact CD1-CE2 4.06Å; L1413-F1415 HydrophobicContact CD1-CZ 4.14Å; L1413-F1415 WeakPolarHBondContact O-CD2 3.25Å; L1413-F1415 WeakPolarHBondContact O-CE2 3.23Å; L1413-F1415 PolarHBondContact O-N 2.98Å; L1413-F1415 VanDerWaalsContact O-N 3.11Å |
| 1416 | F | 79 | Confident | 62.6 | Low | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.053 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -36.1 | -167.3 | -59.1 | -58.4 | 0 | 0 | 0 | 113.7 | F1373 M1374 Y1389 I1392 S1412 L1413 D1414 P1427 T1520 L1522 | F1373-F1416 AromaticContact CD1-CD1 3.75Å; F1373-F1416 HydrophobicContact CD1-CD1 3.75Å; F1373-F1416 HydrophobicContact CD1-CE1 4.48Å; F1373-F1416 HydrophobicContact CE1-CB 4.44Å; F1373-F1416 AromaticContact CE1-CD1 3.65Å; F1373-F1416 HydrophobicContact CE1-CD1 3.65Å; F1373-F1416 HydrophobicContact CE1-CE1 4.42Å; F1373-F1416 HydrophobicContact CE1-CG 4.49Å; F1373-F1416 HydrophobicContact CG-CD1 4.27Å; F1373-F1416 HydrophobicContact CZ-CD1 4.09Å; F1373-F1416 HydrophobicContact CZ-CE1 4.46Å; M1374-F1416 WeakPolarHBondContact CE-O 3.45Å; M1374-F1416 WeakPolarHBondContact CG-O 3.36Å; Y1389-F1416 HydrophobicContact CD2-CD1 4.33Å; Y1389-F1416 AromaticContact CD2-CE1 3.5Å; Y1389-F1416 HydrophobicContact CD2-CE1 3.5Å; Y1389-F1416 VanDerWaalsContact CD2-CE1 3.45Å; Y1389-F1416 HydrophobicContact CD2-CE2 4.45Å; Y1389-F1416 AromaticContact CD2-CZ 3.62Å; Y1389-F1416 HydrophobicContact CD2-CZ 3.62Å; Y1389-F1416 HydrophobicContact CE2-CE1 4.09Å; Y1389-F1416 HydrophobicContact CE2-CE2 4.3Å; Y1389-F1416 AromaticContact CE2-CZ 3.8Å; Y1389-F1416 HydrophobicContact CE2-CZ 3.8Å; Y1389-F1416 HydrophobicContact CG-CE1 4.35Å; Y1389-F1416 HydrophobicContact CG-CZ 4.45Å; I1392-F1416 HydrophobicContact CB-CE1 4.2Å; I1392-F1416 HydrophobicContact CB-CZ 3.97Å; I1392-F1416 HydrophobicContact CD1-CD1 4.33Å; I1392-F1416 HydrophobicContact CD1-CE1 3.7Å; I1392-F1416 HydrophobicContact CD1-CZ 4.32Å; I1392-F1416 HydrophobicContact CG2-CE1 4Å; I1392-F1416 HydrophobicContact CG2-CE2 4.02Å; I1392-F1416 HydrophobicContact CG2-CZ 3.47Å; I1392-F1416 VanDerWaalsContact CG2-CZ 3.41Å; S1412-F1416 VanDerWaalsContact O-CD2 3.32Å; S1412-F1416 WeakPolarHBondContact O-CD2 3.27Å; L1413-F1416 PolarHBondContact O-N 3.01Å; D1414-F1416 PolarHBondContact O-N 2.94Å; D1414-F1416 PolarHBondContact OD1-N 2.6Å; F1416-P1427 WeakPolarHBondContact O-CD 3.32Å; F1416-P1427 WeakPolarHBondContact O-CG 3.38Å; F1416-T1520 HydrophobicContact CD2-CG2 4.21Å; F1416-T1520 HydrophobicContact CE2-CG2 4.35Å; F1416-L1522 HydrophobicContact CB-CD1 4.42Å |
| 1417 | S | 72.5 | Confident | 65.1 | Low | 15.4 Ų | 15.4 | 53.6 Ų | 53.6 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -156.6 | 79.8 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | L1413 D1414 A1419 H1421 L1522 | L1413-S1417 CarbonylContact O-C 3.39Å; L1413-S1417 VanDerWaalsContact O-C 3.3Å; L1413-S1417 PolarHBondContact O-N 3.02Å; D1414-S1417 PolarHBondContact OD1-N 2.93Å; S1417-A1419 PolarHBondContact O-N 3.39Å; S1417-H1421 PolarHBondContact OG-CE1 3.35Å; S1417-H1421 PolarHBondContact OG-ND1 3.14Å; S1417-H1421 PolarHBondContact OG-NE2 3.36Å; S1417-L1522 VanDerWaalsContact CB-CD2 3.45Å |
| 1418 | P | 71.1 | Confident | 67.7 | Low | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | trans | -56.1 | 146.9 | -176 | 2.6 | -6.7 | 0 | 0 | 0 | 113.8 | R1365 T1371 D1414 S1420 H1421 | R1365-P1418 VanDerWaalsContact CZ-CB 3.47Å; R1365-P1418 VanDerWaalsContact NH2-CB 3.29Å; T1371-P1418 HydrophobicContact CG2-CG 4.06Å; D1414-P1418 VanDerWaalsContact CB-CA 3.41Å; D1414-P1418 HydrophobicContact CB-CB 4.37Å; D1414-P1418 WeakPolarHBondContact O-CG 3.47Å; D1414-P1418 WeakPolarHBondContact OD1-CA 3.37Å; D1414-P1418 VanDerWaalsContact OD1-CB 3.31Å; D1414-P1418 WeakPolarHBondContact OD1-CB 3.41Å; P1418-S1420 VanDerWaalsContact C-N 3.33Å; P1418-S1420 CarbonylContact O-C 3.57Å; P1418-S1420 PolarHBondContact O-N 3.04Å; P1418-S1420 VanDerWaalsContact O-N 3.14Å; P1418-H1421 HydrophobicContact CG-CB 4.36Å; P1418-H1421 WeakPolarHBondContact O-CB 3.4Å; P1418-H1421 PolarHBondContact O-N 3.08Å; P1418-H1421 PolarHBondContact O-ND1 2.79Å | ||
| 1419 | A | 59.5 | Low | 70.5 | Confident | 104.4 Ų | 104.4 | 44.7 Ų | 44.7 | 86% | 0.863 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116 | D1414 S1417 H1421 | D1414-A1419 PolarHBondContact OD1-N 3.01Å; D1414-A1419 PolarHBondContact OD2-N 3.48Å; D1414-A1419 VanDerWaalsContact OD2-N 3.1Å; S1417-A1419 PolarHBondContact O-N 3.39Å; A1419-H1421 VanDerWaalsContact C-N 3.31Å; A1419-H1421 PolarHBondContact O-N 3.07Å |
| 1420 | S | 54.3 | Low | 73 | Confident | 52.2 Ų | 52.2 | 40 Ų | 40 | 37% | 0.365 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 40.6 | 179.3 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | H1020 R1365 P1418 | H1020-S1420 PolarHBondContact CE1-O 3.16Å; H1020-S1420 VanDerWaalsContact CE1-O 3.24Å; H1020-S1420 PolarHBondContact CE1-OG 2.75Å; H1020-S1420 WeakPolarHBondContact NE2-CB 3.47Å; H1020-S1420 PolarHBondContact NE2-O 2.78Å; H1020-S1420 VanDerWaalsContact NE2-O 3.07Å; R1365-S1420 PolarHBondContact NH1-O 3.19Å; R1365-S1420 PolarHBondContact NH1-OG 3.04Å; R1365-S1420 PolarHBondContact NH2-OG 3.3Å; P1418-S1420 VanDerWaalsContact C-N 3.33Å; P1418-S1420 CarbonylContact O-C 3.57Å; P1418-S1420 PolarHBondContact O-N 3.04Å; P1418-S1420 VanDerWaalsContact O-N 3.14Å |
| 1421 | H | 66.2 | Low | 75.4 | Confident | 29.8 Ų | 29.8 | 36.2 Ų | 36.2 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -115.2 | 156.8 | -170.5 | 177.2 | -89.9 | 0 | 0 | 0 | 113.4 | D1369 M1374 S1417 P1418 A1419 L1423 D1425 S1426 | D1369-H1421 PolarHBondContact O-CD2 3.02Å; D1369-H1421 VanDerWaalsContact O-CD2 3.23Å; D1369-H1421 PolarHBondContact O-NE2 2.88Å; D1369-H1421 VanDerWaalsContact O-NE2 3.13Å; M1374-H1421 WeakPolarHBondContact CE-CE1 3.29Å; M1374-H1421 VanDerWaalsContact CE-NE2 3.31Å; M1374-H1421 WeakPolarHBondContact CE-NE2 3.43Å; S1417-H1421 PolarHBondContact OG-CE1 3.35Å; S1417-H1421 PolarHBondContact OG-ND1 3.14Å; S1417-H1421 PolarHBondContact OG-NE2 3.36Å; P1418-H1421 HydrophobicContact CG-CB 4.36Å; P1418-H1421 WeakPolarHBondContact O-CB 3.4Å; P1418-H1421 PolarHBondContact O-N 3.08Å; P1418-H1421 PolarHBondContact O-ND1 2.79Å; A1419-H1421 VanDerWaalsContact C-N 3.31Å; A1419-H1421 PolarHBondContact O-N 3.07Å; H1421-L1423 PolarHBondContact O-N 3.34Å; H1421-D1425 VanDerWaalsContact CE1-C 3.46Å; H1421-D1425 WeakPolarHBondContact CE1-CB 3.38Å; H1421-D1425 PolarHBondContact CE1-O 3.06Å; H1421-D1425 IonicContact CE1-OD2 3.62Å; H1421-D1425 WeakPolarHBondContact ND1-CB 3.31Å; H1421-D1425 WeakPolarHBondContact NE2-CB 3.03Å; H1421-S1426 PolarHBondContact NE2-N 3.33Å |
| 1422 | K | 76.2 | Confident | 77.5 | Confident | 110.4 Ų | 110.4 | 32.9 Ų | 32.9 | 48% | 0.48 | 19% | 0.192 | S | C | . | . | trans | -73.3 | 129.6 | 178.8 | -63.6 | 161.4 | -169.1 | 147.9 | 0 | 110 | E1368 D1369 D1424 D1425 | E1368-K1422 PolarHBondContact O-NZ 3.18Å; D1369-K1422 IonicContact OD2-NZ 3.2Å; D1369-K1422 PolarHBondContact OD2-NZ 3.32Å; K1422-D1424 VanDerWaalsContact C-N 3.27Å; K1422-D1424 PolarHBondContact O-N 2.85Å; K1422-D1424 VanDerWaalsContact O-N 3.08Å; K1422-D1425 HydrophobicContact CB-CB 4.29Å; K1422-D1425 WeakPolarHBondContact CB-OD2 3.38Å; K1422-D1425 WeakPolarHBondContact CD-OD2 3.44Å; K1422-D1425 PolarHBondContact O-N 3.09Å; K1422-D1425 VanDerWaalsContact O-N 3.11Å | ||
| 1423 | L | 78.9 | Confident | 79.6 | Confident | 89.8 Ų | 89.8 | 30.8 Ų | 30.8 | 47% | 0.47 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -53.2 | -42.3 | -178 | -66.1 | 179 | 0 | 0 | 0 | 113.6 | H1421 D1425 S1426 R1526 A1528 | H1421-L1423 PolarHBondContact O-N 3.34Å; L1423-D1425 VanDerWaalsContact C-N 3.27Å; L1423-D1425 PolarHBondContact O-N 3.12Å; L1423-D1425 VanDerWaalsContact O-N 3.15Å; L1423-S1426 VanDerWaalsContact O-CB 3.28Å; L1423-S1426 WeakPolarHBondContact O-CB 3.35Å; L1423-S1426 PolarHBondContact O-N 3.05Å; L1423-S1426 VanDerWaalsContact O-N 3.15Å; L1423-R1526 WeakPolarHBondContact CB-O 3.33Å; L1423-A1528 HydrophobicContact CB-CB 4.43Å |
| 1424 | D | 81.7 | Confident | 81.4 | Confident | 37 Ų | 37 | 27.9 Ų | 27.9 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -70.3 | -10.8 | 179.2 | -86.6 | -5.2 | 0 | 0 | 0 | 114.7 | K1422 Y1433 K1475 N1527 A1528 | K1422-D1424 VanDerWaalsContact C-N 3.27Å; K1422-D1424 PolarHBondContact O-N 2.85Å; K1422-D1424 VanDerWaalsContact O-N 3.08Å; D1424-Y1433 HydrophobicContact CB-CE2 4.19Å; D1424-Y1433 WeakPolarHBondContact O-CE2 3.25Å; D1424-Y1433 PolarHBondContact OD1-OH 3.01Å; D1424-K1475 VanDerWaalsContact C-NZ 3.32Å; D1424-K1475 PolarHBondContact O-NZ 3.21Å; D1424-N1527 WeakPolarHBondContact OD1-CB 3.31Å; D1424-A1528 HydrophobicContact CB-CB 4.3Å; D1424-A1528 VanDerWaalsContact CG-CB 3.45Å; D1424-A1528 VanDerWaalsContact OD1-CB 3.27Å; D1424-A1528 WeakPolarHBondContact OD1-CB 3.32Å; D1424-A1528 PolarHBondContact OD1-N 2.9Å; D1424-A1528 VanDerWaalsContact OD2-CB 3.32Å; D1424-A1528 WeakPolarHBondContact OD2-CB 3.34Å |
| 1425 | D | 83.5 | Confident | 82.8 | Confident | 21.4 Ų | 21.4 | 24.9 Ų | 24.9 | 11% | 0.114 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -97.4 | 4.4 | 176.4 | -70.6 | -72.3 | 0 | 0 | 0 | 112.2 | L1370 M1374 H1421 K1422 L1423 K1475 | L1370-D1425 HydrophobicContact CD2-CB 4.4Å; M1374-D1425 HydrophobicContact CE-CB 4.42Å; M1374-D1425 VanDerWaalsContact CE-O 3.32Å; M1374-D1425 WeakPolarHBondContact CE-O 3.38Å; H1421-D1425 VanDerWaalsContact CE1-C 3.46Å; H1421-D1425 WeakPolarHBondContact CE1-CB 3.38Å; H1421-D1425 PolarHBondContact CE1-O 3.06Å; H1421-D1425 IonicContact CE1-OD2 3.62Å; H1421-D1425 WeakPolarHBondContact ND1-CB 3.31Å; H1421-D1425 WeakPolarHBondContact NE2-CB 3.03Å; K1422-D1425 HydrophobicContact CB-CB 4.29Å; K1422-D1425 WeakPolarHBondContact CB-OD2 3.38Å; K1422-D1425 WeakPolarHBondContact CD-OD2 3.44Å; K1422-D1425 PolarHBondContact O-N 3.09Å; K1422-D1425 VanDerWaalsContact O-N 3.11Å; L1423-D1425 VanDerWaalsContact C-N 3.27Å; L1423-D1425 PolarHBondContact O-N 3.12Å; L1423-D1425 VanDerWaalsContact O-N 3.15Å; D1425-K1475 VanDerWaalsContact CG-NZ 3.32Å; D1425-K1475 IonicContact OD1-NZ 2.88Å; D1425-K1475 PolarHBondContact OD1-NZ 3Å; D1425-K1475 WeakPolarHBondContact OD2-CE 3.4Å; D1425-K1475 IonicContact OD2-NZ 3.56Å; D1425-K1475 PolarHBondContact OD2-NZ 3.24Å |
| 1426 | S | 89.6 | Confident | 83.9 | Confident | 2.2 Ų | 2.2 | 24.7 Ų | 24.7 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | trans | -53.3 | 133 | 172.5 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | H1421 L1423 L1428 F1429 Q1430 | H1421-S1426 PolarHBondContact NE2-N 3.33Å; L1423-S1426 VanDerWaalsContact O-CB 3.28Å; L1423-S1426 WeakPolarHBondContact O-CB 3.35Å; L1423-S1426 PolarHBondContact O-N 3.05Å; L1423-S1426 VanDerWaalsContact O-N 3.15Å; S1426-L1428 VanDerWaalsContact C-N 3.3Å; S1426-L1428 PolarHBondContact O-N 3.11Å; S1426-L1428 VanDerWaalsContact O-N 3.13Å; S1426-F1429 PolarHBondContact O-N 3.18Å; S1426-F1429 VanDerWaalsContact O-N 3.1Å; S1426-Q1430 WeakPolarHBondContact O-CB 3.33Å; S1426-Q1430 PolarHBondContact O-N 3.17Å | ||
| 1427 | P | 93.3 | Very high | 84.7 | Confident | 1.8 Ų | 1.8 | 24.1 Ų | 24.1 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -50.1 | -41.1 | -176.7 | -32.4 | 35.9 | 0 | 0 | 0 | 115.6 | F1373 I1377 F1416 L1431 L1516 L1522 | F1373-P1427 HydrophobicContact CD1-CG 4.49Å; F1373-P1427 HydrophobicContact CE1-CB 4.03Å; F1373-P1427 HydrophobicContact CE1-CG 3.91Å; I1377-P1427 HydrophobicContact CD1-CB 3.76Å; F1416-P1427 WeakPolarHBondContact O-CD 3.32Å; F1416-P1427 WeakPolarHBondContact O-CG 3.38Å; P1427-L1431 WeakPolarHBondContact O-CB 3.34Å; P1427-L1431 WeakPolarHBondContact O-CD1 3.42Å; P1427-L1431 VanDerWaalsContact O-CG 3.29Å; P1427-L1431 WeakPolarHBondContact O-CG 3.34Å; P1427-L1431 PolarHBondContact O-N 2.89Å; P1427-L1516 HydrophobicContact CB-CD1 3.81Å; P1427-L1516 HydrophobicContact CB-CD2 4.43Å; P1427-L1522 HydrophobicContact CB-CD1 4.08Å; P1427-L1522 HydrophobicContact CG-CD1 3.96Å |
| 1428 | L | 93.8 | Very high | 85.8 | Confident | 1.4 Ų | 1.4 | 23.4 Ų | 23.4 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67 | -47.4 | 178.7 | -73.2 | 176.8 | 0 | 0 | 0 | 111.5 | S1426 L1431 C1432 F1513 L1516 L1517 L1522 I1523 L1533 | S1426-L1428 VanDerWaalsContact C-N 3.3Å; S1426-L1428 PolarHBondContact O-N 3.11Å; S1426-L1428 VanDerWaalsContact O-N 3.13Å; L1428-L1431 PolarHBondContact O-N 2.8Å; L1428-C1432 PolarHBondContact O-N 3.14Å; L1428-C1432 VanDerWaalsContact O-N 3.16Å; L1428-C1432 PolarHBondContact O-SG 3.06Å; L1428-F1513 HydrophobicContact CD2-CD2 3.85Å; L1428-F1513 HydrophobicContact CD2-CE2 3.89Å; L1428-L1516 HydrophobicContact CD2-CB 3.58Å; L1428-L1516 HydrophobicContact CD2-CD1 4.36Å; L1428-L1516 HydrophobicContact CG-CB 4.25Å; L1428-L1517 HydrophobicContact CD1-CD1 4.45Å; L1428-L1517 HydrophobicContact CD2-CB 4.46Å; L1428-L1522 HydrophobicContact CD1-CB 3.73Å; L1428-L1522 HydrophobicContact CG-CB 4.22Å; L1428-I1523 HydrophobicContact CD1-CB 4.34Å; L1428-L1533 HydrophobicContact CB-CD2 4.08Å; L1428-L1533 HydrophobicContact CD1-CD2 4.23Å |
| 1429 | F | 94.2 | Very high | 87 | Confident | 1.6 Ų | 1.6 | 23.3 Ų | 23.3 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.4 | -78.1 | -74 | 0 | 0 | 0 | 111.7 | S1426 L1431 C1432 Y1433 N1525 N1527 E1531 L1533 Y1536 | S1426-F1429 PolarHBondContact O-N 3.18Å; S1426-F1429 VanDerWaalsContact O-N 3.1Å; F1429-L1431 VanDerWaalsContact C-N 3.32Å; F1429-L1431 PolarHBondContact O-N 2.94Å; F1429-C1432 CarbonylContact O-C 3.48Å; F1429-C1432 WeakPolarHBondContact O-CA 3.19Å; F1429-C1432 PolarHBondContact O-N 3.03Å; F1429-Y1433 HydrophobicContact CB-CD2 4.48Å; F1429-Y1433 HydrophobicContact CB-CE1 4.35Å; F1429-Y1433 HydrophobicContact CB-CE2 3.99Å; F1429-Y1433 HydrophobicContact CD1-CE1 4.12Å; F1429-Y1433 AromaticContact CD1-CZ 3.98Å; F1429-Y1433 WeakPolarHBondContact O-CB 3.45Å; F1429-Y1433 VanDerWaalsContact O-CD1 3.28Å; F1429-Y1433 WeakPolarHBondContact O-CD1 3.34Å; F1429-Y1433 WeakPolarHBondContact O-CD2 3.45Å; F1429-Y1433 PolarHBondContact O-N 3.01Å; F1429-N1525 WeakPolarHBondContact CE2-O 3.41Å; F1429-N1527 HydrophobicContact CD1-CB 3.92Å; F1429-N1527 HydrophobicContact CD2-CB 4.37Å; F1429-N1527 HydrophobicContact CE1-CB 3.7Å; F1429-N1527 HydrophobicContact CE2-CB 4.17Å; F1429-N1527 HydrophobicContact CG-CB 4.26Å; F1429-N1527 HydrophobicContact CZ-CB 3.83Å; F1429-E1531 WeakPolarHBondContact CZ-O 3.36Å; F1429-L1533 HydrophobicContact CD1-CD1 3.64Å; F1429-L1533 HydrophobicContact CE1-CB 4.15Å; F1429-L1533 HydrophobicContact CE1-CD1 3.59Å; F1429-L1533 HydrophobicContact CE1-CG 4.49Å; F1429-L1533 HydrophobicContact CG-CD1 4.17Å; F1429-L1533 HydrophobicContact CZ-CB 3.94Å; F1429-L1533 HydrophobicContact CZ-CD1 4.08Å; F1429-Y1536 HydrophobicContact CE1-CG 4.48Å |
| 1430 | Q | 93.8 | Very high | 88.7 | Confident | 10.2 Ų | 10.2 | 18.3 Ų | 18.3 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -35.2 | 179 | -166.9 | 63.4 | 49.1 | 0 | 0 | 112.2 | I1377 S1426 C1432 Y1433 N1434 | I1377-Q1430 HydrophobicContact CG2-CB 4.15Å; I1377-Q1430 HydrophobicContact CG2-CG 4.06Å; S1426-Q1430 WeakPolarHBondContact O-CB 3.33Å; S1426-Q1430 PolarHBondContact O-N 3.17Å; Q1430-C1432 VanDerWaalsContact C-N 3.31Å; Q1430-C1432 PolarHBondContact O-N 2.98Å; Q1430-Y1433 PolarHBondContact O-N 3Å; Q1430-N1434 PolarHBondContact NE2-OD1 3.06Å; Q1430-N1434 WeakPolarHBondContact O-CB 3.37Å; Q1430-N1434 PolarHBondContact O-N 3.27Å; Q1430-N1434 VanDerWaalsContact O-N 3.14Å; Q1430-N1434 PolarHBondContact O-OD1 3.05Å |
| 1431 | L | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 169.6 | -80.1 | 167.3 | 0 | 0 | 0 | 112.2 | I1377 Y1382 P1427 L1428 F1429 R1509 L1512 F1513 L1516 F1606 | I1377-L1431 HydrophobicContact CD1-CD1 4.4Å; I1377-L1431 HydrophobicContact CD1-CG 4.37Å; I1377-L1431 HydrophobicContact CG2-CD2 4.02Å; I1377-L1431 HydrophobicContact CG2-CG 3.89Å; Y1382-L1431 HydrophobicContact CD1-CD2 3.78Å; Y1382-L1431 HydrophobicContact CE1-CD2 3.63Å; P1427-L1431 WeakPolarHBondContact O-CB 3.34Å; P1427-L1431 WeakPolarHBondContact O-CD1 3.42Å; P1427-L1431 VanDerWaalsContact O-CG 3.29Å; P1427-L1431 WeakPolarHBondContact O-CG 3.34Å; P1427-L1431 PolarHBondContact O-N 2.89Å; L1428-L1431 PolarHBondContact O-N 2.8Å; F1429-L1431 VanDerWaalsContact C-N 3.32Å; F1429-L1431 PolarHBondContact O-N 2.94Å; L1431-R1509 HydrophobicContact CD2-CG 3.87Å; L1431-R1509 PolarHBondContact O-NE 2.87Å; L1431-R1509 VanDerWaalsContact O-NE 3.16Å; L1431-R1509 PolarHBondContact O-NH2 3.09Å; L1431-L1512 HydrophobicContact CD1-CD2 4.36Å; L1431-L1512 HydrophobicContact CD1-CG 4.16Å; L1431-L1512 HydrophobicContact CD2-CD2 4.37Å; L1431-F1513 HydrophobicContact CB-CD2 4.48Å; L1431-F1513 HydrophobicContact CD1-CB 4.27Å; L1431-F1513 HydrophobicContact CD1-CD2 4.48Å; L1431-L1516 HydrophobicContact CD1-CD1 3.61Å; L1431-F1606 HydrophobicContact CB-CZ 4.39Å; L1431-F1606 VanDerWaalsContact O-CE1 3.28Å; L1431-F1606 WeakPolarHBondContact O-CE1 3.33Å |
| 1432 | C | 95.8 | Very high | 91.9 | Very high | 0.2 Ų | 0.2 | 16 Ų | 16 | 0% | 0.001 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -84 | -13.1 | 178 | -58 | 0 | 0 | 0 | 0 | 114.5 | L1428 F1429 Q1430 N1434 F1513 L1533 Y1536 L1537 F1606 | L1428-C1432 PolarHBondContact O-N 3.14Å; L1428-C1432 VanDerWaalsContact O-N 3.16Å; L1428-C1432 PolarHBondContact O-SG 3.06Å; F1429-C1432 CarbonylContact O-C 3.48Å; F1429-C1432 WeakPolarHBondContact O-CA 3.19Å; F1429-C1432 PolarHBondContact O-N 3.03Å; Q1430-C1432 VanDerWaalsContact C-N 3.31Å; Q1430-C1432 PolarHBondContact O-N 2.98Å; C1432-N1434 VanDerWaalsContact C-N 3.31Å; C1432-N1434 PolarHBondContact O-N 3.46Å; C1432-F1513 WeakPolarHBondContact SG-CE2 3.35Å; C1432-L1533 HydrophobicContact CB-CD1 4.47Å; C1432-Y1536 HydrophobicContact CB-CD1 4.38Å; C1432-Y1536 HydrophobicContact CB-CE1 3.81Å; C1432-Y1536 PolarHBondContact O-OH 3.06Å; C1432-L1537 HydrophobicContact CB-CD2 4.09Å; C1432-F1606 HydrophobicContact CB-CE1 4.45Å |
| 1433 | Y | 95.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 10.7 Ų | 10.7 | 4% | 0.039 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -87.6 | -27 | 172.1 | -64.3 | -14.8 | 0 | 0 | 0 | 112.2 | D1424 F1429 Q1430 D1435 V1472 N1527 Y1536 | D1424-Y1433 HydrophobicContact CB-CE2 4.19Å; D1424-Y1433 WeakPolarHBondContact O-CE2 3.25Å; D1424-Y1433 PolarHBondContact OD1-OH 3.01Å; F1429-Y1433 HydrophobicContact CB-CD2 4.48Å; F1429-Y1433 HydrophobicContact CB-CE1 4.35Å; F1429-Y1433 HydrophobicContact CB-CE2 3.99Å; F1429-Y1433 HydrophobicContact CD1-CE1 4.12Å; F1429-Y1433 AromaticContact CD1-CZ 3.98Å; F1429-Y1433 WeakPolarHBondContact O-CB 3.45Å; F1429-Y1433 VanDerWaalsContact O-CD1 3.28Å; F1429-Y1433 WeakPolarHBondContact O-CD1 3.34Å; F1429-Y1433 WeakPolarHBondContact O-CD2 3.45Å; F1429-Y1433 PolarHBondContact O-N 3.01Å; Q1430-Y1433 PolarHBondContact O-N 3Å; Y1433-D1435 PolarHBondContact O-N 3.1Å; Y1433-V1472 VanDerWaalsContact O-CG2 3.3Å; Y1433-V1472 WeakPolarHBondContact O-CG2 3.41Å; Y1433-N1527 WeakPolarHBondContact OH-CB 3.4Å; Y1433-N1527 PolarHBondContact OH-ND2 3.34Å; Y1433-Y1536 HydrophobicContact CD1-CE1 4.14Å; Y1433-Y1536 AromaticContact CD1-CE2 3.89Å; Y1433-Y1536 HydrophobicContact CD1-CE2 4Å; Y1433-Y1536 AromaticContact CD1-CZ 3.62Å; Y1433-Y1536 WeakPolarHBondContact CD1-OH 3.37Å; Y1433-Y1536 HydrophobicContact CE1-CD1 4.43Å; Y1433-Y1536 AromaticContact CE1-CD2 3.98Å; Y1433-Y1536 HydrophobicContact CE1-CD2 4.06Å; Y1433-Y1536 AromaticContact CE1-CE1 3.99Å; Y1433-Y1536 HydrophobicContact CE1-CE1 4.13Å; Y1433-Y1536 AromaticContact CE1-CE2 3.58Å; Y1433-Y1536 HydrophobicContact CE1-CE2 3.58Å; Y1433-Y1536 VanDerWaalsContact CE1-CE2 3.47Å; Y1433-Y1536 HydrophobicContact CE1-CG 4.45Å; Y1433-Y1536 AromaticContact CE1-CZ 3.64Å |
| 1434 | N | 95.6 | Very high | 93.3 | Very high | 0.4 Ų | 0.4 | 9.7 Ų | 9.7 | 0% | 0.002 | 5% | 0.054 | C | C | . | . | trans | -74.8 | 35.3 | -175.9 | -79.2 | -4.5 | 0 | 0 | 0 | 115.5 | I1377 K1378 R1380 Y1382 Q1430 C1432 R1509 | I1377-N1434 PolarHBondContact O-ND2 3.17Å; K1378-N1434 PolarHBondContact O-ND2 3.24Å; R1380-N1434 HydrophobicContact CG-CB 4.44Å; R1380-N1434 VanDerWaalsContact CZ-O 3.3Å; R1380-N1434 PolarHBondContact NE-O 3Å; R1380-N1434 PolarHBondContact NH1-O 2.99Å; R1380-N1434 VanDerWaalsContact NH1-O 3.15Å; R1380-N1434 VanDerWaalsContact NH2-C 3.33Å; R1380-N1434 PolarHBondContact NH2-O 3.03Å; R1380-N1434 VanDerWaalsContact NH2-O 3.12Å; Y1382-N1434 VanDerWaalsContact OH-CB 3.26Å; Y1382-N1434 WeakPolarHBondContact OH-CB 3.28Å; Y1382-N1434 PolarHBondContact OH-ND2 3.1Å; Q1430-N1434 PolarHBondContact NE2-OD1 3.06Å; Q1430-N1434 WeakPolarHBondContact O-CB 3.37Å; Q1430-N1434 PolarHBondContact O-N 3.27Å; Q1430-N1434 VanDerWaalsContact O-N 3.14Å; Q1430-N1434 PolarHBondContact O-OD1 3.05Å; C1432-N1434 VanDerWaalsContact C-N 3.31Å; C1432-N1434 PolarHBondContact O-N 3.46Å; N1434-R1509 VanDerWaalsContact C-NH2 3.26Å; N1434-R1509 VanDerWaalsContact O-CZ 3.29Å; N1434-R1509 PolarHBondContact O-NH1 3.17Å; N1434-R1509 PolarHBondContact O-NH2 3.02Å; N1434-R1509 VanDerWaalsContact O-NH2 3.15Å | ||
| 1435 | D | 96 | Very high | 93.8 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -73 | 170.2 | 167.9 | -81 | -13 | 0 | 0 | 0 | 111.8 | R1380 Y1433 E1468 R1509 Q1544 P1604 | R1380-D1435 PolarHBondContact NH1-O 3.02Å; R1380-D1435 PolarHBondContact NH2-O 3.25Å; Y1433-D1435 PolarHBondContact O-N 3.1Å; D1435-E1468 HydrophobicContact CB-CG 4.06Å; D1435-R1509 IonicContact OD1-CZ 3.4Å; D1435-R1509 VanDerWaalsContact OD1-CZ 3.26Å; D1435-R1509 IonicContact OD1-NH1 3.22Å; D1435-R1509 PolarHBondContact OD1-NH1 2.99Å; D1435-R1509 IonicContact OD1-NH2 3.11Å; D1435-R1509 PolarHBondContact OD1-NH2 3.34Å; D1435-Q1544 PolarHBondContact OD2-NE2 3.03Å; D1435-P1604 HydrophobicContact CB-CB 3.91Å; D1435-P1604 HydrophobicContact CB-CG 4.13Å |
| 1436 | T | 95.5 | Very high | 94.2 | Very high | 9.2 Ų | 9.2 | 16.9 Ų | 16.9 | 6% | 0.056 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 148.7 | -178.7 | 45.4 | 0 | 0 | 0 | 0 | 112.4 | T1440 E1468 S1500 L1601 | T1436-T1440 WeakPolarHBondContact CB-OG1 3.37Å; T1436-T1440 PolarHBondContact OG1-OG1 2.99Å; T1436-E1468 WeakPolarHBondContact O-CG 3.28Å; T1436-S1500 CarbonylContact C-O 3.36Å; T1436-S1500 VanDerWaalsContact CA-O 3.28Å; T1436-S1500 WeakPolarHBondContact CA-O 3.31Å; T1436-L1601 HydrophobicContact CG2-CD1 4.24Å |
| 1437 | C | 96.4 | Very high | 94.4 | Very high | 0.2 Ų | 0.2 | 17.2 Ų | 17.2 | 0% | 0.001 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 139.6 | 172.5 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | F1439 T1440 C1469 C1490 S1500 L1501 | C1437-F1439 PolarHBondContact O-N 3.09Å; C1437-F1439 VanDerWaalsContact O-N 3.12Å; C1437-F1439 VanDerWaalsContact SG-CB 3.6Å; C1437-F1439 PolarHBondContact SG-N 2.89Å; C1437-T1440 HydrophobicContact CB-CG2 4.33Å; C1437-T1440 WeakPolarHBondContact O-CB 3.27Å; C1437-T1440 WeakPolarHBondContact O-CG2 3.28Å; C1437-T1440 PolarHBondContact O-N 3.23Å; C1437-T1440 VanDerWaalsContact O-N 3.07Å; C1437-T1440 PolarHBondContact O-OG1 3.01Å; C1437-C1469 PolarHBondContact SG-SG 3.09Å; C1437-C1490 PolarHBondContact SG-SG 3.16Å; C1437-S1500 PolarHBondContact N-O 3.08Å; C1437-L1501 HydrophobicContact CB-CD2 4.34Å |
| 1438 | S | 95.9 | Very high | 94.4 | Very high | 0.8 Ų | 0.8 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35 | 179.2 | 69.8 | 0 | 0 | 0 | 0 | 113 | T1440 W1441 T1442 Q1449 C1466 C1490 | S1438-T1440 PolarHBondContact O-N 2.98Å; S1438-T1440 VanDerWaalsContact O-N 3.11Å; S1438-W1441 PolarHBondContact O-N 3.31Å; S1438-W1441 VanDerWaalsContact O-N 3.1Å; S1438-T1442 WeakPolarHBondContact O-CG2 3.36Å; S1438-T1442 PolarHBondContact O-N 3.1Å; S1438-T1442 PolarHBondContact O-OG1 3.18Å; S1438-T1442 VanDerWaalsContact O-OG1 3.05Å; S1438-Q1449 VanDerWaalsContact CB-OE1 3.24Å; S1438-Q1449 PolarHBondContact OG-NE2 3.07Å; S1438-Q1449 PolarHBondContact OG-OE1 3.24Å; S1438-Q1449 VanDerWaalsContact OG-OE1 3.09Å; S1438-C1466 PolarHBondContact N-SG 3.02Å; S1438-C1466 VanDerWaalsContact N-SG 3.42Å; S1438-C1466 WeakPolarHBondContact OG-CB 3.34Å; S1438-C1490 VanDerWaalsContact OG-CB 3.28Å; S1438-C1490 WeakPolarHBondContact OG-CB 3.26Å |
| 1439 | F | 95.6 | Very high | 94.4 | Very high | 2.6 Ų | 2.6 | 25.6 Ų | 25.6 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.2 | -31.6 | 176.6 | -167.2 | -92.6 | 0 | 0 | 0 | 113.1 | C1437 W1441 T1442 G1443 Y1489 C1490 W1493 E1596 P1597 H1599 | C1437-F1439 PolarHBondContact O-N 3.09Å; C1437-F1439 VanDerWaalsContact O-N 3.12Å; C1437-F1439 VanDerWaalsContact SG-CB 3.6Å; C1437-F1439 PolarHBondContact SG-N 2.89Å; F1439-W1441 PolarHBondContact O-N 3.26Å; F1439-W1441 VanDerWaalsContact O-N 3.14Å; F1439-T1442 WeakPolarHBondContact CA-OG1 3.3Å; F1439-T1442 PolarHBondContact N-OG1 3.47Å; F1439-T1442 PolarHBondContact O-N 2.99Å; F1439-G1443 VanDerWaalsContact CD2-O 3.28Å; F1439-G1443 WeakPolarHBondContact CD2-O 3.38Å; F1439-G1443 VanDerWaalsContact CE2-C 3.46Å; F1439-G1443 VanDerWaalsContact CE2-O 3.28Å; F1439-G1443 WeakPolarHBondContact CE2-O 3.29Å; F1439-G1443 WeakPolarHBondContact O-CA 3.37Å; F1439-G1443 PolarHBondContact O-N 3.13Å; F1439-Y1489 AromaticContact CD2-CD2 3.82Å; F1439-Y1489 HydrophobicContact CD2-CD2 3.82Å; F1439-Y1489 AromaticContact CE2-CD2 3.89Å; F1439-Y1489 HydrophobicContact CE2-CD2 3.89Å; F1439-Y1489 HydrophobicContact CE2-CE2 4.26Å; F1439-C1490 HydrophobicContact CB-CB 4.37Å; F1439-W1493 AromaticContact CD1-CD1 3.96Å; F1439-W1493 AromaticContact CD1-NE1 3.94Å; F1439-W1493 AromaticContact CD2-NE1 3.74Å; F1439-W1493 AromaticContact CE1-NE1 3.79Å; F1439-W1493 HydrophobicContact CE2-CZ2 4.46Å; F1439-W1493 AromaticContact CE2-NE1 3.57Å; F1439-W1493 AromaticContact CG-CD1 3.87Å; F1439-W1493 AromaticContact CG-NE1 3.92Å; F1439-W1493 AromaticContact CZ-CE2 3.93Å; F1439-W1493 HydrophobicContact CZ-CZ2 4.16Å; F1439-W1493 AromaticContact CZ-NE1 3.6Å; F1439-E1596 HydrophobicContact CE1-CG 4.11Å; F1439-E1596 HydrophobicContact CZ-CG 3.86Å; F1439-P1597 HydrophobicContact CD1-CB 4.28Å; F1439-P1597 HydrophobicContact CD1-CG 4.39Å; F1439-P1597 HydrophobicContact CE1-CB 4.2Å; F1439-P1597 HydrophobicContact CE1-CG 4.24Å; F1439-H1599 HydrophobicContact CD1-CB 4.35Å; F1439-H1599 HydrophobicContact CE1-CB 4.2Å; F1439-H1599 VanDerWaalsContact O-CB 3.26Å; F1439-H1599 WeakPolarHBondContact O-CB 3.34Å |
| 1440 | T | 94.8 | Very high | 94.4 | Very high | 0.2 Ų | 0.2 | 28.3 Ų | 28.3 | 0% | 0.001 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.8 | -12.3 | -178.2 | 73 | 0 | 0 | 0 | 0 | 114.1 | T1436 C1437 S1438 L1501 H1599 L1601 | T1436-T1440 WeakPolarHBondContact CB-OG1 3.37Å; T1436-T1440 PolarHBondContact OG1-OG1 2.99Å; C1437-T1440 HydrophobicContact CB-CG2 4.33Å; C1437-T1440 WeakPolarHBondContact O-CB 3.27Å; C1437-T1440 WeakPolarHBondContact O-CG2 3.28Å; C1437-T1440 PolarHBondContact O-N 3.23Å; C1437-T1440 VanDerWaalsContact O-N 3.07Å; C1437-T1440 PolarHBondContact O-OG1 3.01Å; S1438-T1440 PolarHBondContact O-N 2.98Å; S1438-T1440 VanDerWaalsContact O-N 3.11Å; T1440-L1501 HydrophobicContact CG2-CD2 3.93Å; T1440-H1599 CarbonylContact C-O 3.54Å; T1440-H1599 CarbonylContact O-C 3.48Å; T1440-H1599 WeakPolarHBondContact O-CA 3.38Å; T1440-L1601 HydrophobicContact CG2-CD1 4.29Å; T1440-L1601 WeakPolarHBondContact O-CA 3.4Å; T1440-L1601 VanDerWaalsContact O-CB 3.22Å; T1440-L1601 WeakPolarHBondContact O-CB 3.35Å; T1440-L1601 PolarHBondContact O-N 3.16Å |
| 1441 | W | 94.3 | Very high | 94.4 | Very high | 15.2 Ų | 15.2 | 28 Ų | 28 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -132.9 | -4.3 | 178.8 | 62.2 | -95.6 | 0 | 0 | 0 | 113.9 | S1438 F1439 I1447 E1547 Q1548 H1551 L1601 P1603 | S1438-W1441 PolarHBondContact O-N 3.31Å; S1438-W1441 VanDerWaalsContact O-N 3.1Å; F1439-W1441 PolarHBondContact O-N 3.26Å; F1439-W1441 VanDerWaalsContact O-N 3.14Å; W1441-I1447 HydrophobicContact CH2-CD1 3.54Å; W1441-I1447 VanDerWaalsContact CH2-CD1 3.48Å; W1441-I1447 HydrophobicContact CZ2-CD1 4.34Å; W1441-I1447 HydrophobicContact CZ3-CD1 3.95Å; W1441-E1547 HydrophobicContact CH2-CB 4.27Å; W1441-Q1548 HydrophobicContact CH2-CG 4.13Å; W1441-Q1548 HydrophobicContact CZ2-CG 4.2Å; W1441-Q1548 HydrophobicContact CZ3-CG 4.48Å; W1441-H1551 HydrophobicContact CE3-CB 3.91Å; W1441-H1551 AromaticContact CE3-ND1 3.8Å; W1441-H1551 HydrophobicContact CZ3-CB 3.98Å; W1441-H1551 PolarHBondContact O-CD2 2.82Å; W1441-H1551 PolarHBondContact O-CE1 2.99Å; W1441-H1551 PolarHBondContact O-ND1 2.69Å; W1441-L1601 WeakPolarHBondContact CA-O 3.47Å; W1441-L1601 WeakPolarHBondContact CB-O 3.18Å; W1441-P1603 HydrophobicContact CB-CB 4.42Å; W1441-P1603 HydrophobicContact CB-CG 3.96Å; W1441-P1603 HydrophobicContact CD2-CB 3.81Å; W1441-P1603 HydrophobicContact CD2-CG 3.7Å; W1441-P1603 HydrophobicContact CE3-CB 4.23Å; W1441-P1603 HydrophobicContact CE3-CG 3.73Å; W1441-P1603 HydrophobicContact CG-CB 3.9Å; W1441-P1603 HydrophobicContact CG-CG 3.83Å; W1441-P1603 HydrophobicContact CZ3-CG 4.4Å |
| 1442 | T | 94 | Very high | 94.4 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -103.8 | -28.8 | 168.5 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | S1438 F1439 D1445 I1447 | S1438-T1442 WeakPolarHBondContact O-CG2 3.36Å; S1438-T1442 PolarHBondContact O-N 3.1Å; S1438-T1442 PolarHBondContact O-OG1 3.18Å; S1438-T1442 VanDerWaalsContact O-OG1 3.05Å; F1439-T1442 WeakPolarHBondContact CA-OG1 3.3Å; F1439-T1442 PolarHBondContact N-OG1 3.47Å; F1439-T1442 PolarHBondContact O-N 2.99Å; T1442-D1445 WeakPolarHBondContact O-CB 3.38Å; T1442-D1445 PolarHBondContact O-N 3.14Å; T1442-D1445 VanDerWaalsContact O-N 3.12Å; T1442-I1447 HydrophobicContact CG2-CD1 3.58Å; T1442-I1447 HydrophobicContact CG2-CG1 3.9Å; T1442-I1447 HydrophobicContact CG2-CG2 3.97Å |
| 1443 | G | 92.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | -139.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1439 D1445 Y1489 | F1439-G1443 VanDerWaalsContact CD2-O 3.28Å; F1439-G1443 WeakPolarHBondContact CD2-O 3.38Å; F1439-G1443 VanDerWaalsContact CE2-C 3.46Å; F1439-G1443 VanDerWaalsContact CE2-O 3.28Å; F1439-G1443 WeakPolarHBondContact CE2-O 3.29Å; F1439-G1443 WeakPolarHBondContact O-CA 3.37Å; F1439-G1443 PolarHBondContact O-N 3.13Å; G1443-D1445 VanDerWaalsContact C-N 3.3Å; G1443-D1445 PolarHBondContact O-N 2.8Å; G1443-Y1489 WeakPolarHBondContact O-CB 3.4Å |
| 1444 | P | 92 | Very high | 94.2 | Very high | 67.6 Ų | 67.6 | 30.9 Ų | 30.9 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.7 | 177 | 32.3 | -35.8 | 0 | 0 | 0 | 115.2 | H1446 Y1489 | P1444-H1446 PolarHBondContact O-N 3.16Å; P1444-H1446 PolarHBondContact O-ND1 2.95Å; P1444-Y1489 VanDerWaalsContact O-CD1 3.25Å; P1444-Y1489 WeakPolarHBondContact O-CD1 3.4Å |
| 1445 | D | 91.3 | Very high | 93.9 | Very high | 85.8 Ų | 85.8 | 36.2 Ų | 36.2 | 46% | 0.459 | 17% | 0.169 | S | C | . | . | trans | -66.3 | 121 | 177.1 | -97.4 | 10.1 | 0 | 0 | 0 | 110.3 | T1442 G1443 I1447 R1552 | T1442-D1445 WeakPolarHBondContact O-CB 3.38Å; T1442-D1445 PolarHBondContact O-N 3.14Å; T1442-D1445 VanDerWaalsContact O-N 3.12Å; G1443-D1445 VanDerWaalsContact C-N 3.3Å; G1443-D1445 PolarHBondContact O-N 2.8Å; D1445-I1447 PolarHBondContact O-N 2.98Å; D1445-R1552 IonicContact OD2-NH1 3.1Å; D1445-R1552 PolarHBondContact OD2-NH1 3.21Å | ||
| 1446 | H | 92.7 | Very high | 93.4 | Very high | 124 Ų | 124 | 37.3 Ų | 37.3 | 57% | 0.574 | 18% | 0.175 | S | C | * | . | trans | -71.6 | 118.1 | 176.1 | -69.8 | 49.3 | 0 | 0 | 0 | 110.6 | P1444 Y1489 | P1444-H1446 PolarHBondContact O-N 3.16Å; P1444-H1446 PolarHBondContact O-ND1 2.95Å; H1446-Y1489 AromaticContact CE1-CD1 3.62Å; H1446-Y1489 AromaticContact CE1-CE1 3.52Å; H1446-Y1489 VanDerWaalsContact CE1-CE1 3.46Å; H1446-Y1489 WeakPolarHBondContact CE1-CE1 3.31Å; H1446-Y1489 AromaticContact ND1-CD1 3.56Å; H1446-Y1489 AromaticContact ND1-CE1 3.9Å | ||
| 1447 | I | 93.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 161 | 175.4 | 63.6 | 159.4 | 0 | 0 | 0 | 111.5 | W1441 T1442 D1445 Q1449 T1487 A1488 Q1550 | W1441-I1447 HydrophobicContact CH2-CD1 3.54Å; W1441-I1447 VanDerWaalsContact CH2-CD1 3.48Å; W1441-I1447 HydrophobicContact CZ2-CD1 4.34Å; W1441-I1447 HydrophobicContact CZ3-CD1 3.95Å; T1442-I1447 HydrophobicContact CG2-CD1 3.58Å; T1442-I1447 HydrophobicContact CG2-CG1 3.9Å; T1442-I1447 HydrophobicContact CG2-CG2 3.97Å; D1445-I1447 PolarHBondContact O-N 2.98Å; I1447-Q1449 HydrophobicContact CD1-CB 3.95Å; I1447-Q1449 HydrophobicContact CD1-CG 4.2Å; I1447-Q1449 HydrophobicContact CG1-CB 4.14Å; I1447-Q1449 HydrophobicContact CG1-CG 3.98Å; I1447-Q1449 PolarHBondContact O-N 2.94Å; I1447-T1487 VanDerWaalsContact O-CA 3.28Å; I1447-T1487 WeakPolarHBondContact O-CA 3.31Å; I1447-A1488 PolarHBondContact N-O 3.17Å; I1447-A1488 PolarHBondContact O-N 3.15Å; I1447-Q1550 HydrophobicContact CB-CB 4.4Å; I1447-Q1550 HydrophobicContact CG2-CB 4.14Å |
| 1448 | R | 93.7 | Very high | 92.5 | Very high | 169.8 Ų | 169.8 | 39.8 Ų | 39.8 | 64% | 0.641 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 111.7 | 165.2 | -70.7 | 175.9 | -95.7 | -115.1 | -3.1 | 109.8 | P1486 T1487 Q1550 | R1448-P1486 VanDerWaalsContact CA-O 3.29Å; R1448-P1486 WeakPolarHBondContact CA-O 3.35Å; R1448-P1486 WeakPolarHBondContact CG-O 3.44Å; R1448-T1487 HydrophobicContact CB-CG2 4.48Å; R1448-T1487 HydrophobicContact CG-CG2 3.5Å; R1448-T1487 VanDerWaalsContact CG-CG2 3.48Å; R1448-Q1550 VanDerWaalsContact CB-OE1 3.29Å; R1448-Q1550 VanDerWaalsContact N-OE1 3.12Å; R1448-Q1550 PolarHBondContact O-NE2 3.25Å |
| 1449 | Q | 93.4 | Very high | 92.3 | Very high | 9.8 Ų | 9.8 | 39.7 Ų | 39.7 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | trans | -148.4 | 167.7 | 178.8 | 64 | 178 | -41 | 0 | 0 | 110.5 | S1438 I1447 I1451 P1486 A1488 E1547 | S1438-Q1449 VanDerWaalsContact CB-OE1 3.24Å; S1438-Q1449 PolarHBondContact OG-NE2 3.07Å; S1438-Q1449 PolarHBondContact OG-OE1 3.24Å; S1438-Q1449 VanDerWaalsContact OG-OE1 3.09Å; I1447-Q1449 HydrophobicContact CD1-CB 3.95Å; I1447-Q1449 HydrophobicContact CD1-CG 4.2Å; I1447-Q1449 HydrophobicContact CG1-CB 4.14Å; I1447-Q1449 HydrophobicContact CG1-CG 3.98Å; I1447-Q1449 PolarHBondContact O-N 2.94Å; Q1449-I1451 HydrophobicContact CG-CD1 3.52Å; Q1449-I1451 VanDerWaalsContact CG-CD1 3.49Å; Q1449-I1451 HydrophobicContact CG-CG1 3.98Å; Q1449-I1451 PolarHBondContact O-N 3.08Å; Q1449-P1486 PolarHBondContact N-O 3.1Å; Q1449-A1488 PolarHBondContact NE2-O 3.11Å; Q1449-E1547 VanDerWaalsContact CA-OE1 3.26Å; Q1449-E1547 WeakPolarHBondContact CA-OE1 3.41Å; Q1449-E1547 HydrophobicContact CB-CG 3.94Å; Q1449-E1547 VanDerWaalsContact CB-OE1 3.3Å; Q1449-E1547 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 1450 | D | 93.4 | Very high | 92 | Very high | 56.6 Ų | 56.6 | 43.3 Ų | 43.3 | 30% | 0.303 | 22% | 0.216 | S | C | . | . | trans | -76.3 | 113.3 | 174.5 | -66.4 | -28.2 | 0 | 0 | 0 | 110.3 | F1452 T1467 L1481 R1543 R1546 E1547 | D1450-F1452 HydrophobicContact CB-CE2 4.26Å; D1450-T1467 WeakPolarHBondContact CB-OG1 3.42Å; D1450-T1467 PolarHBondContact O-OG1 3.15Å; D1450-L1481 HydrophobicContact CB-CD1 3.97Å; D1450-R1543 VanDerWaalsContact OD2-CD 3.27Å; D1450-R1543 WeakPolarHBondContact OD2-CD 3.38Å; D1450-R1546 IonicContact OD1-NH2 3.2Å; D1450-R1546 PolarHBondContact OD1-NH2 3.49Å; D1450-R1546 VanDerWaalsContact OD1-NH2 3.08Å; D1450-R1546 IonicContact OD2-NH2 3.41Å; D1450-R1546 PolarHBondContact OD2-NH2 3.09Å; D1450-E1547 PolarHBondContact N-OE1 3.29Å; D1450-E1547 VanDerWaalsContact N-OE1 3.12Å | ||
| 1451 | I | 94.8 | Very high | 91.6 | Very high | 4.2 Ų | 4.2 | 50.1 Ų | 50.1 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138 | -171.4 | -67.1 | -64.5 | 0 | 0 | 0 | 111.9 | Q1449 C1464 L1481 K1482 A1488 | Q1449-I1451 HydrophobicContact CG-CD1 3.52Å; Q1449-I1451 VanDerWaalsContact CG-CD1 3.49Å; Q1449-I1451 HydrophobicContact CG-CG1 3.98Å; Q1449-I1451 PolarHBondContact O-N 3.08Å; I1451-C1464 HydrophobicContact CG2-CB 3.53Å; I1451-C1464 VanDerWaalsContact CG2-SG 3.59Å; I1451-L1481 WeakPolarHBondContact O-CD1 3.39Å; I1451-K1482 HydrophobicContact CG2-CB 4.37Å; I1451-K1482 HydrophobicContact CG2-CD 4.32Å; I1451-K1482 WeakPolarHBondContact O-CB 3.48Å; I1451-K1482 PolarHBondContact O-N 3.25Å; I1451-A1488 HydrophobicContact CD1-CB 3.87Å; I1451-A1488 HydrophobicContact CG1-CB 4.09Å |
| 1452 | F | 95.1 | Very high | 91.4 | Very high | 30.2 Ų | 30.2 | 54 Ų | 54 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.8 | -176.7 | -65.2 | -103.9 | 0 | 0 | 0 | 112.7 | D1450 C1464 C1465 T1467 A1470 R1480 L1481 | D1450-F1452 HydrophobicContact CB-CE2 4.26Å; F1452-C1464 WeakPolarHBondContact O-CA 3.17Å; F1452-C1464 WeakPolarHBondContact O-CB 3.43Å; F1452-C1465 WeakPolarHBondContact CB-O 3.43Å; F1452-C1465 PolarHBondContact N-O 3.09Å; F1452-C1465 PolarHBondContact O-N 3.07Å; F1452-C1465 PolarHBondContact O-SG 2.86Å; F1452-C1465 VanDerWaalsContact O-SG 3.38Å; F1452-T1467 HydrophobicContact CE2-CG2 4.06Å; F1452-T1467 WeakPolarHBondContact CE2-OG1 3.4Å; F1452-T1467 HydrophobicContact CZ-CG2 4.31Å; F1452-A1470 HydrophobicContact CB-CB 4.24Å; F1452-A1470 HydrophobicContact CD1-CB 3.95Å; F1452-A1470 HydrophobicContact CD2-CB 3.91Å; F1452-A1470 HydrophobicContact CE1-CB 4.32Å; F1452-A1470 HydrophobicContact CE2-CB 4.29Å; F1452-A1470 HydrophobicContact CG-CB 3.76Å; F1452-A1470 HydrophobicContact CZ-CB 4.44Å; F1452-R1480 CarbonylContact C-O 3.5Å; F1452-R1480 VanDerWaalsContact CA-O 3.24Å; F1452-R1480 WeakPolarHBondContact CA-O 3.37Å; F1452-R1480 VanDerWaalsContact CD1-C 3.49Å; F1452-L1481 HydrophobicContact CD1-CB 4.32Å; F1452-L1481 HydrophobicContact CD2-CD1 4.31Å; F1452-L1481 HydrophobicContact CE1-CB 3.98Å; F1452-L1481 HydrophobicContact CE1-CD1 4.13Å; F1452-L1481 HydrophobicContact CE2-CD1 3.8Å; F1452-L1481 HydrophobicContact CZ-CB 4.37Å; F1452-L1481 HydrophobicContact CZ-CD1 3.69Å |
| 1453 | E | 93.6 | Very high | 91.3 | Very high | 41.4 Ų | 41.4 | 54.7 Ų | 54.7 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 141.9 | 161.7 | 64 | 177.4 | -124.9 | 0 | 0 | 109.3 | R1455 L1459 C1479 R1480 | E1453-R1455 IonicContact OE1-CZ 3.11Å; E1453-R1455 VanDerWaalsContact OE1-CZ 3.24Å; E1453-R1455 IonicContact OE1-NE 3Å; E1453-R1455 PolarHBondContact OE1-NE 3.2Å; E1453-R1455 IonicContact OE1-NH2 3.13Å; E1453-R1455 PolarHBondContact OE1-NH2 3.17Å; E1453-L1459 CarbonylContact C-O 3.56Å; E1453-L1459 WeakPolarHBondContact CA-O 3.35Å; E1453-C1479 CarbonylContact O-C 3.47Å; E1453-C1479 VanDerWaalsContact O-CA 3.28Å; E1453-C1479 WeakPolarHBondContact O-CA 3.18Å; E1453-C1479 PolarHBondContact O-SG 3.25Å; E1453-R1480 HydrophobicContact CG-CB 4.2Å; E1453-R1480 PolarHBondContact N-O 2.97Å; E1453-R1480 PolarHBondContact O-N 3.3Å |
| 1454 | C | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 97.1 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | T1456 C1457 G1458 L1459 H1474 D1478 C1479 | C1454-T1456 VanDerWaalsContact C-N 3.31Å; C1454-T1456 PolarHBondContact O-N 3.02Å; C1454-C1457 HydrophobicContact CB-CB 4.29Å; C1454-C1457 PolarHBondContact O-N 3Å; C1454-C1457 VanDerWaalsContact O-N 3.07Å; C1454-C1457 VanDerWaalsContact SG-SG 3.66Å; C1454-G1458 PolarHBondContact O-N 3.05Å; C1454-G1458 VanDerWaalsContact O-N 3.14Å; C1454-L1459 HydrophobicContact CB-CB 4.12Å; C1454-L1459 HydrophobicContact CB-CD1 4.31Å; C1454-L1459 PolarHBondContact N-O 2.98Å; C1454-L1459 PolarHBondContact O-N 3.17Å; C1454-L1459 VanDerWaalsContact O-N 3.1Å; C1454-H1474 PolarHBondContact SG-ND1 2.81Å; C1454-D1478 WeakPolarHBondContact CA-O 3.31Å; C1454-C1479 HydrophobicContact CB-CB 4.27Å |
| 1455 | R | 89.8 | Confident | 91.6 | Very high | 112.6 Ų | 112.6 | 51.6 Ų | 51.6 | 43% | 0.425 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -65.3 | -36.5 | -172.3 | -58.9 | -176.7 | 176.6 | -154.4 | -7.7 | 111.9 | E1453 C1457 G1458 M1460 D1478 | E1453-R1455 IonicContact OE1-CZ 3.11Å; E1453-R1455 VanDerWaalsContact OE1-CZ 3.24Å; E1453-R1455 IonicContact OE1-NE 3Å; E1453-R1455 PolarHBondContact OE1-NE 3.2Å; E1453-R1455 IonicContact OE1-NH2 3.13Å; E1453-R1455 PolarHBondContact OE1-NH2 3.17Å; R1455-C1457 VanDerWaalsContact C-N 3.29Å; R1455-C1457 PolarHBondContact O-N 3.02Å; R1455-C1457 VanDerWaalsContact O-N 3.12Å; R1455-G1458 PolarHBondContact O-N 3.21Å; R1455-M1460 HydrophobicContact CB-SD 4.21Å; R1455-M1460 HydrophobicContact CG-CG 4.48Å; R1455-M1460 HydrophobicContact CG-SD 3.93Å; R1455-D1478 HydrophobicContact CB-CB 4.4Å; R1455-D1478 WeakPolarHBondContact CD-OD2 3.35Å; R1455-D1478 PolarHBondContact N-O 3.09Å |
| 1456 | T | 84.4 | Confident | 91.8 | Very high | 25 Ų | 25 | 47.5 Ų | 47.5 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59.1 | -29.4 | 173.2 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | H1089 I1091 C1454 H1477 D1478 | H1089-T1456 WeakPolarHBondContact O-CA 3.4Å; I1091-T1456 HydrophobicContact CB-CG2 3.88Å; I1091-T1456 WeakPolarHBondContact O-CG2 3.35Å; C1454-T1456 VanDerWaalsContact C-N 3.31Å; C1454-T1456 PolarHBondContact O-N 3.02Å; T1456-H1477 HydrophobicContact CG2-CB 4.16Å; T1456-D1478 PolarHBondContact OG1-N 3.12Å |
| 1457 | C | 86.9 | Confident | 92 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -105 | -0.5 | -177.5 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | C1454 R1455 L1459 H1474 H1477 | C1454-C1457 HydrophobicContact CB-CB 4.29Å; C1454-C1457 PolarHBondContact O-N 3Å; C1454-C1457 VanDerWaalsContact O-N 3.07Å; C1454-C1457 VanDerWaalsContact SG-SG 3.66Å; R1455-C1457 VanDerWaalsContact C-N 3.29Å; R1455-C1457 PolarHBondContact O-N 3.02Å; R1455-C1457 VanDerWaalsContact O-N 3.12Å; C1457-L1459 HydrophobicContact CB-CD1 4.4Å; C1457-L1459 HydrophobicContact CB-CG 4.29Å; C1457-L1459 PolarHBondContact O-N 2.96Å; C1457-H1474 VanDerWaalsContact SG-CE1 3.58Å; C1457-H1474 PolarHBondContact SG-ND1 3.06Å; C1457-H1474 VanDerWaalsContact SG-ND1 3.39Å; C1457-H1477 PolarHBondContact SG-CE1 3.09Å; C1457-H1477 PolarHBondContact SG-ND1 3.1Å |
| 1458 | G | 88 | Confident | 92.1 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 19.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1454 R1455 M1460 | C1454-G1458 PolarHBondContact O-N 3.05Å; C1454-G1458 VanDerWaalsContact O-N 3.14Å; R1455-G1458 PolarHBondContact O-N 3.21Å; G1458-M1460 VanDerWaalsContact C-N 3.31Å; G1458-M1460 PolarHBondContact O-N 2.97Å; G1458-M1460 VanDerWaalsContact O-N 3.12Å |
| 1459 | L | 90.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 83.9 | 168.8 | -67.3 | 173.7 | 0 | 0 | 0 | 107.9 | E1453 C1454 C1457 L1463 C1465 H1474 D1491 C1492 K1495 | E1453-L1459 CarbonylContact C-O 3.56Å; E1453-L1459 WeakPolarHBondContact CA-O 3.35Å; C1454-L1459 HydrophobicContact CB-CB 4.12Å; C1454-L1459 HydrophobicContact CB-CD1 4.31Å; C1454-L1459 PolarHBondContact N-O 2.98Å; C1454-L1459 PolarHBondContact O-N 3.17Å; C1454-L1459 VanDerWaalsContact O-N 3.1Å; C1457-L1459 HydrophobicContact CB-CD1 4.4Å; C1457-L1459 HydrophobicContact CB-CG 4.29Å; C1457-L1459 PolarHBondContact O-N 2.96Å; L1459-L1463 CarbonylContact C-O 3.55Å; L1459-L1463 HydrophobicContact CD2-CB 3.99Å; L1459-C1465 HydrophobicContact CD1-CB 3.98Å; L1459-H1474 WeakPolarHBondContact CD1-NE2 3.38Å; L1459-D1491 HydrophobicContact CD2-CB 4.41Å; L1459-C1492 HydrophobicContact CD1-CB 4.13Å; L1459-K1495 HydrophobicContact CD2-CB 3.91Å; L1459-K1495 HydrophobicContact CD2-CG 3.73Å; L1459-K1495 HydrophobicContact CG-CB 4.42Å |
| 1460 | M | 89.3 | Confident | 92.3 | Very high | 78 Ų | 78 | 33.9 Ų | 33.9 | 38% | 0.384 | 19% | 0.19 | S | C | . | . | trans | -135.9 | 171.6 | -177.8 | -60.2 | -171.4 | -59.2 | 0 | 0 | 110.4 | R1455 G1458 S1462 L1463 | R1455-M1460 HydrophobicContact CB-SD 4.21Å; R1455-M1460 HydrophobicContact CG-CG 4.48Å; R1455-M1460 HydrophobicContact CG-SD 3.93Å; G1458-M1460 VanDerWaalsContact C-N 3.31Å; G1458-M1460 PolarHBondContact O-N 2.97Å; G1458-M1460 VanDerWaalsContact O-N 3.12Å; M1460-S1462 PolarHBondContact O-N 2.99Å; M1460-L1463 CarbonylContact C-O 3.51Å; M1460-L1463 PolarHBondContact N-O 3.16Å; M1460-L1463 VanDerWaalsContact N-O 3.15Å; M1460-L1463 PolarHBondContact O-N 3.17Å | ||
| 1461 | D | 87 | Confident | 92.2 | Very high | 142.4 Ų | 142.4 | 33.6 Ų | 33.6 | 76% | 0.761 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -101.2 | -179.6 | -56.6 | -46.6 | 0 | 0 | 0 | 113.3 | K1482 | D1461-K1482 PolarHBondContact O-NZ 3.15Š|
| 1462 | S | 89.3 | Confident | 92.1 | Very high | 98 Ų | 98 | 34 Ų | 34 | 69% | 0.685 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -30.8 | 174.3 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | M1460 | M1460-S1462 PolarHBondContact O-N 2.99Š|
| 1463 | L | 92.4 | Very high | 92 | Very high | 32.2 Ų | 32.2 | 33.4 Ų | 33.4 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | trans | -85.4 | 133.9 | -172.6 | -62.2 | 170.6 | 0 | 0 | 0 | 111.1 | L1459 M1460 D1491 K1495 | L1459-L1463 CarbonylContact C-O 3.55Å; L1459-L1463 HydrophobicContact CD2-CB 3.99Å; M1460-L1463 CarbonylContact C-O 3.51Å; M1460-L1463 PolarHBondContact N-O 3.16Å; M1460-L1463 VanDerWaalsContact N-O 3.15Å; M1460-L1463 PolarHBondContact O-N 3.17Å; L1463-D1491 WeakPolarHBondContact CA-OD2 3.32Å; L1463-D1491 HydrophobicContact CB-CB 4.42Å; L1463-D1491 HydrophobicContact CD2-CB 3.75Å; L1463-K1495 HydrophobicContact CD1-CD 4.32Å; L1463-K1495 HydrophobicContact CD1-CG 4.22Å | ||
| 1464 | C | 94.2 | Very high | 91.8 | Very high | 1.6 Ų | 1.6 | 31.5 Ų | 31.5 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | trans | -153.6 | 176.4 | -171.5 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | I1451 F1452 Y1489 D1491 C1492 | I1451-C1464 HydrophobicContact CG2-CB 3.53Å; I1451-C1464 VanDerWaalsContact CG2-SG 3.59Å; F1452-C1464 WeakPolarHBondContact O-CA 3.17Å; F1452-C1464 WeakPolarHBondContact O-CB 3.43Å; C1464-Y1489 PolarHBondContact SG-O 3.1Å; C1464-Y1489 VanDerWaalsContact SG-O 3.37Å; C1464-D1491 PolarHBondContact N-OD2 3.08Å; C1464-D1491 PolarHBondContact O-N 3.23Å; C1464-D1491 PolarHBondContact SG-OD2 2.95Å; C1464-D1491 VanDerWaalsContact SG-OD2 3.35Å; C1464-C1492 PolarHBondContact O-N 3.17Å | ||
| 1465 | C | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.5 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | F1452 L1459 C1469 H1474 C1490 C1492 | F1452-C1465 WeakPolarHBondContact CB-O 3.43Å; F1452-C1465 PolarHBondContact N-O 3.09Å; F1452-C1465 PolarHBondContact O-N 3.07Å; F1452-C1465 PolarHBondContact O-SG 2.86Å; F1452-C1465 VanDerWaalsContact O-SG 3.38Å; L1459-C1465 HydrophobicContact CD1-CB 3.98Å; C1465-C1469 HydrophobicContact CB-CB 3.82Å; C1465-H1474 PolarHBondContact SG-CD2 3.19Å; C1465-H1474 PolarHBondContact SG-NE2 3.22Å; C1465-H1474 VanDerWaalsContact SG-NE2 3.41Å; C1465-C1490 VanDerWaalsContact CA-SG 3.57Å; C1465-C1492 HydrophobicContact CB-CB 4.08Å |
| 1466 | C | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 167.3 | 175.3 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | S1438 E1468 C1469 A1470 C1490 | S1438-C1466 PolarHBondContact N-SG 3.02Å; S1438-C1466 VanDerWaalsContact N-SG 3.42Å; S1438-C1466 WeakPolarHBondContact OG-CB 3.34Å; C1466-E1468 VanDerWaalsContact C-N 3.28Å; C1466-E1468 PolarHBondContact O-N 3.3Å; C1466-E1468 VanDerWaalsContact O-N 3.16Å; C1466-E1468 PolarHBondContact SG-OE2 2.9Å; C1466-C1469 WeakPolarHBondContact O-CB 3.35Å; C1466-C1469 PolarHBondContact O-N 3.01Å; C1466-C1469 VanDerWaalsContact O-N 3.15Å; C1466-C1469 VanDerWaalsContact SG-SG 3.64Å; C1466-A1470 PolarHBondContact O-N 3.17Å; C1466-C1490 HydrophobicContact CB-CB 4.03Å; C1466-C1490 PolarHBondContact N-SG 3.06Å; C1466-C1490 VanDerWaalsContact N-SG 3.39Å; C1466-C1490 VanDerWaalsContact SG-SG 3.65Å |
| 1467 | T | 96 | Very high | 91.3 | Very high | 4.6 Ų | 4.6 | 33.4 Ų | 33.4 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52.1 | -39.3 | -179.8 | -56.5 | 0 | 0 | 0 | 0 | 114 | D1450 F1452 C1469 A1470 R1471 | D1450-T1467 WeakPolarHBondContact CB-OG1 3.42Å; D1450-T1467 PolarHBondContact O-OG1 3.15Å; F1452-T1467 HydrophobicContact CE2-CG2 4.06Å; F1452-T1467 WeakPolarHBondContact CE2-OG1 3.4Å; F1452-T1467 HydrophobicContact CZ-CG2 4.31Å; T1467-C1469 VanDerWaalsContact C-N 3.35Å; T1467-A1470 PolarHBondContact O-N 3.28Å; T1467-R1471 VanDerWaalsContact CG2-CZ 3.44Å; T1467-R1471 VanDerWaalsContact CG2-NH1 3.34Å; T1467-R1471 VanDerWaalsContact CG2-NH2 3.29Å; T1467-R1471 WeakPolarHBondContact O-CG 3.26Å; T1467-R1471 PolarHBondContact O-N 3.12Å; T1467-R1471 VanDerWaalsContact O-N 3.15Å |
| 1468 | E | 96.1 | Very high | 91.4 | Very high | 9.6 Ų | 9.6 | 34.3 Ų | 34.3 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.7 | -38.2 | -179.6 | -67.7 | 67.3 | -148.4 | 0 | 0 | 111.4 | D1435 T1436 C1466 A1470 R1471 V1472 S1500 R1543 Q1544 | D1435-E1468 HydrophobicContact CB-CG 4.06Å; T1436-E1468 WeakPolarHBondContact O-CG 3.28Å; C1466-E1468 VanDerWaalsContact C-N 3.28Å; C1466-E1468 PolarHBondContact O-N 3.3Å; C1466-E1468 VanDerWaalsContact O-N 3.16Å; C1466-E1468 PolarHBondContact SG-OE2 2.9Å; E1468-A1470 VanDerWaalsContact C-N 3.33Å; E1468-A1470 PolarHBondContact O-N 3.45Å; E1468-R1471 PolarHBondContact O-N 2.83Å; E1468-R1471 IonicContact OE1-NH1 2.85Å; E1468-V1472 WeakPolarHBondContact O-CB 3.24Å; E1468-V1472 WeakPolarHBondContact O-CG2 3.33Å; E1468-V1472 PolarHBondContact O-N 3Å; E1468-V1472 VanDerWaalsContact O-N 3.12Å; E1468-S1500 PolarHBondContact O-OG 3.33Å; E1468-R1543 IonicContact OE1-CZ 3.11Å; E1468-R1543 IonicContact OE1-NE 3.38Å; E1468-R1543 IonicContact OE1-NH2 3.12Å; E1468-R1543 PolarHBondContact OE1-NH2 3.19Å; E1468-Q1544 PolarHBondContact OE1-NE2 2.84Å |
| 1469 | C | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.3 | -37.9 | 172.3 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | C1437 C1465 C1466 T1467 R1471 V1472 C1473 H1474 C1490 C1492 C1498 | C1437-C1469 PolarHBondContact SG-SG 3.09Å; C1465-C1469 HydrophobicContact CB-CB 3.82Å; C1466-C1469 WeakPolarHBondContact O-CB 3.35Å; C1466-C1469 PolarHBondContact O-N 3.01Å; C1466-C1469 VanDerWaalsContact O-N 3.15Å; C1466-C1469 VanDerWaalsContact SG-SG 3.64Å; T1467-C1469 VanDerWaalsContact C-N 3.35Å; C1469-R1471 VanDerWaalsContact C-N 3.31Å; C1469-R1471 PolarHBondContact O-N 3.29Å; C1469-V1472 PolarHBondContact O-N 3.07Å; C1469-C1473 HydrophobicContact CB-CB 4.42Å; C1469-C1473 WeakPolarHBondContact O-CA 3.23Å; C1469-C1473 WeakPolarHBondContact O-CB 3.42Å; C1469-C1473 PolarHBondContact O-N 3.12Å; C1469-H1474 PolarHBondContact O-CD2 3.05Å; C1469-H1474 VanDerWaalsContact O-CD2 3.28Å; C1469-H1474 PolarHBondContact O-N 3.07Å; C1469-H1474 VanDerWaalsContact O-N 3.09Å; C1469-C1490 VanDerWaalsContact SG-SG 3.67Å; C1469-C1492 HydrophobicContact CB-CB 4.19Å; C1469-C1498 PolarHBondContact SG-SG 3.25Å |
| 1470 | A | 94.6 | Very high | 91.7 | Very high | 15.2 Ų | 15.2 | 39.4 Ų | 39.4 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1452 C1466 T1467 E1468 H1474 | F1452-A1470 HydrophobicContact CB-CB 4.24Å; F1452-A1470 HydrophobicContact CD1-CB 3.95Å; F1452-A1470 HydrophobicContact CD2-CB 3.91Å; F1452-A1470 HydrophobicContact CE1-CB 4.32Å; F1452-A1470 HydrophobicContact CE2-CB 4.29Å; F1452-A1470 HydrophobicContact CG-CB 3.76Å; F1452-A1470 HydrophobicContact CZ-CB 4.44Å; C1466-A1470 PolarHBondContact O-N 3.17Å; T1467-A1470 PolarHBondContact O-N 3.28Å; E1468-A1470 VanDerWaalsContact C-N 3.33Å; E1468-A1470 PolarHBondContact O-N 3.45Å; A1470-H1474 CarbonylContact O-C 3.48Å |
| 1471 | R | 92.4 | Very high | 91.8 | Very high | 48.6 Ų | 48.6 | 39.8 Ų | 39.8 | 18% | 0.183 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -79 | -31.6 | 178 | -68.8 | 179.3 | -170.4 | 139 | 3.8 | 114.5 | T1467 E1468 C1469 Y1536 C1540 R1543 | T1467-R1471 VanDerWaalsContact CG2-CZ 3.44Å; T1467-R1471 VanDerWaalsContact CG2-NH1 3.34Å; T1467-R1471 VanDerWaalsContact CG2-NH2 3.29Å; T1467-R1471 WeakPolarHBondContact O-CG 3.26Å; T1467-R1471 PolarHBondContact O-N 3.12Å; T1467-R1471 VanDerWaalsContact O-N 3.15Å; E1468-R1471 PolarHBondContact O-N 2.83Å; E1468-R1471 IonicContact OE1-NH1 2.85Å; C1469-R1471 VanDerWaalsContact C-N 3.31Å; C1469-R1471 PolarHBondContact O-N 3.29Å; R1471-Y1536 VanDerWaalsContact NH1-CE2 3.3Å; R1471-Y1536 VanDerWaalsContact NH1-CZ 3.34Å; R1471-Y1536 PolarHBondContact NH1-OH 3.21Å; R1471-C1540 PolarHBondContact NH1-SG 2.96Å; R1471-R1543 VanDerWaalsContact NH1-NH2 3.13Å |
| 1472 | V | 92.7 | Very high | 91.9 | Very high | 13.8 Ų | 13.8 | 35.3 Ų | 35.3 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -105.7 | -58 | -174 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | Y1433 E1468 C1469 H1474 Q1499 S1500 | Y1433-V1472 VanDerWaalsContact O-CG2 3.3Å; Y1433-V1472 WeakPolarHBondContact O-CG2 3.41Å; E1468-V1472 WeakPolarHBondContact O-CB 3.24Å; E1468-V1472 WeakPolarHBondContact O-CG2 3.33Å; E1468-V1472 PolarHBondContact O-N 3Å; E1468-V1472 VanDerWaalsContact O-N 3.12Å; C1469-V1472 PolarHBondContact O-N 3.07Å; V1472-H1474 PolarHBondContact O-N 3.21Å; V1472-Q1499 HydrophobicContact CG1-CB 4.13Å; V1472-S1500 WeakPolarHBondContact CB-OG 3.27Å |
| 1473 | C | 92.4 | Very high | 91.6 | Very high | 17.4 Ų | 17.4 | 39.8 Ų | 39.8 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -23.7 | -172.1 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | C1469 Q1499 | C1469-C1473 HydrophobicContact CB-CB 4.42Å; C1469-C1473 WeakPolarHBondContact O-CA 3.23Å; C1469-C1473 WeakPolarHBondContact O-CB 3.42Å; C1469-C1473 PolarHBondContact O-N 3.12Å; C1473-Q1499 PolarHBondContact SG-N 3Å; C1473-Q1499 VanDerWaalsContact SG-N 3.41Å |
| 1474 | H | 90.4 | Very high | 90.6 | Very high | 2.4 Ų | 2.4 | 43.3 Ų | 43.3 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 24.3 | -177.8 | -50.8 | -58.5 | 0 | 0 | 0 | 112.8 | C1454 C1457 L1459 C1465 C1469 A1470 V1472 G1476 H1477 C1479 C1492 C1496 | C1454-H1474 PolarHBondContact SG-ND1 2.81Å; C1457-H1474 VanDerWaalsContact SG-CE1 3.58Å; C1457-H1474 PolarHBondContact SG-ND1 3.06Å; C1457-H1474 VanDerWaalsContact SG-ND1 3.39Å; L1459-H1474 WeakPolarHBondContact CD1-NE2 3.38Å; C1465-H1474 PolarHBondContact SG-CD2 3.19Å; C1465-H1474 PolarHBondContact SG-NE2 3.22Å; C1465-H1474 VanDerWaalsContact SG-NE2 3.41Å; C1469-H1474 PolarHBondContact O-CD2 3.05Å; C1469-H1474 VanDerWaalsContact O-CD2 3.28Å; C1469-H1474 PolarHBondContact O-N 3.07Å; C1469-H1474 VanDerWaalsContact O-N 3.09Å; A1470-H1474 CarbonylContact O-C 3.48Å; V1472-H1474 PolarHBondContact O-N 3.21Å; H1474-G1476 PolarHBondContact O-N 2.94Å; H1474-G1476 VanDerWaalsContact O-N 3.13Å; H1474-H1477 HydrophobicContact CB-CB 4.15Å; H1474-H1477 AromaticContact ND1-ND1 3.79Å; H1474-H1477 VanDerWaalsContact O-CB 3.3Å; H1474-H1477 WeakPolarHBondContact O-CB 3.37Å; H1474-H1477 PolarHBondContact O-N 3.04Å; H1474-C1479 HydrophobicContact CB-CB 4.14Å; H1474-C1492 PolarHBondContact NE2-SG 3.22Å; H1474-C1492 VanDerWaalsContact NE2-SG 3.44Å; H1474-C1496 PolarHBondContact CE1-SG 2.82Å |
| 1475 | K | 87.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 46 Ų | 46 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 114.1 | 178.6 | -166.2 | 176.5 | -170.3 | 175.4 | 0 | 110.1 | D1424 D1425 H1477 | D1424-K1475 VanDerWaalsContact C-NZ 3.32Å; D1424-K1475 PolarHBondContact O-NZ 3.21Å; D1425-K1475 VanDerWaalsContact CG-NZ 3.32Å; D1425-K1475 IonicContact OD1-NZ 2.88Å; D1425-K1475 PolarHBondContact OD1-NZ 3Å; D1425-K1475 WeakPolarHBondContact OD2-CE 3.4Å; D1425-K1475 IonicContact OD2-NZ 3.56Å; D1425-K1475 PolarHBondContact OD2-NZ 3.24Å; K1475-H1477 VanDerWaalsContact C-N 3.34Å |
| 1476 | G | 82.6 | Confident | 88.4 | Confident | 81.6 Ų | 81.6 | 49.9 Ų | 49.9 | 84% | 0.841 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1474 | H1474-G1476 PolarHBondContact O-N 2.94Å; H1474-G1476 VanDerWaalsContact O-N 3.13Å |
| 1477 | H | 86.6 | Confident | 88.1 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -87.9 | 167.6 | 173.4 | -64.5 | -162.3 | 0 | 0 | 0 | 111.2 | T1456 C1457 H1474 K1475 C1479 | T1456-H1477 HydrophobicContact CG2-CB 4.16Å; C1457-H1477 PolarHBondContact SG-CE1 3.09Å; C1457-H1477 PolarHBondContact SG-ND1 3.1Å; H1474-H1477 HydrophobicContact CB-CB 4.15Å; H1474-H1477 AromaticContact ND1-ND1 3.79Å; H1474-H1477 VanDerWaalsContact O-CB 3.3Å; H1474-H1477 WeakPolarHBondContact O-CB 3.37Å; H1474-H1477 PolarHBondContact O-N 3.04Å; K1475-H1477 VanDerWaalsContact C-N 3.34Å; H1477-C1479 HydrophobicContact CB-CB 4.45Å; H1477-C1479 PolarHBondContact O-N 3.06Å |
| 1478 | D | 89.7 | Confident | 88 | Confident | 43.6 Ų | 43.6 | 53.5 Ų | 53.5 | 23% | 0.233 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -76 | 77.1 | 168.4 | -168.8 | 17.7 | 0 | 0 | 0 | 110.2 | C1454 R1455 T1456 R1480 | C1454-D1478 WeakPolarHBondContact CA-O 3.31Å; R1455-D1478 HydrophobicContact CB-CB 4.4Å; R1455-D1478 WeakPolarHBondContact CD-OD2 3.35Å; R1455-D1478 PolarHBondContact N-O 3.09Å; T1456-D1478 PolarHBondContact OG1-N 3.12Å; D1478-R1480 VanDerWaalsContact CG-NH2 3.29Å; D1478-R1480 IonicContact OD1-CZ 3.11Å; D1478-R1480 VanDerWaalsContact OD1-CZ 3.26Å; D1478-R1480 IonicContact OD1-NE 3.24Å; D1478-R1480 PolarHBondContact OD1-NE 3.17Å; D1478-R1480 IonicContact OD1-NH2 3.42Å; D1478-R1480 PolarHBondContact OD1-NH2 3.08Å; D1478-R1480 IonicContact OD2-CZ 2.91Å; D1478-R1480 IonicContact OD2-NE 3.28Å; D1478-R1480 IonicContact OD2-NH2 2.72Å; D1478-R1480 PolarHBondContact OD2-NH2 3.23Å |
| 1479 | C | 91.5 | Very high | 87.9 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.9 | -173.6 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | E1453 C1454 H1474 H1477 | E1453-C1479 CarbonylContact O-C 3.47Å; E1453-C1479 VanDerWaalsContact O-CA 3.28Å; E1453-C1479 WeakPolarHBondContact O-CA 3.18Å; E1453-C1479 PolarHBondContact O-SG 3.25Å; C1454-C1479 HydrophobicContact CB-CB 4.27Å; H1474-C1479 HydrophobicContact CB-CB 4.14Å; H1477-C1479 HydrophobicContact CB-CB 4.45Å; H1477-C1479 PolarHBondContact O-N 3.06Å |
| 1480 | R | 92.4 | Very high | 87.9 | Confident | 110.6 Ų | 110.6 | 55.6 Ų | 55.6 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.5 | -167.6 | -56.2 | -174.6 | -169.7 | -152.1 | 3.9 | 112.1 | F1452 E1453 D1478 K1482 E1959 | F1452-R1480 CarbonylContact C-O 3.5Å; F1452-R1480 VanDerWaalsContact CA-O 3.24Å; F1452-R1480 WeakPolarHBondContact CA-O 3.37Å; F1452-R1480 VanDerWaalsContact CD1-C 3.49Å; E1453-R1480 HydrophobicContact CG-CB 4.2Å; E1453-R1480 PolarHBondContact N-O 2.97Å; E1453-R1480 PolarHBondContact O-N 3.3Å; D1478-R1480 VanDerWaalsContact CG-NH2 3.29Å; D1478-R1480 IonicContact OD1-CZ 3.11Å; D1478-R1480 VanDerWaalsContact OD1-CZ 3.26Å; D1478-R1480 IonicContact OD1-NE 3.24Å; D1478-R1480 PolarHBondContact OD1-NE 3.17Å; D1478-R1480 IonicContact OD1-NH2 3.42Å; D1478-R1480 PolarHBondContact OD1-NH2 3.08Å; D1478-R1480 IonicContact OD2-CZ 2.91Å; D1478-R1480 IonicContact OD2-NE 3.28Å; D1478-R1480 IonicContact OD2-NH2 2.72Å; D1478-R1480 PolarHBondContact OD2-NH2 3.23Å; R1480-K1482 PolarHBondContact O-N 3.04Å; R1480-E1959 WeakPolarHBondContact CD-OE2 3.33Å; R1480-E1959 IonicContact CZ-OE2 3.56Å; R1480-E1959 PolarHBondContact NH1-O 3.45Å; R1480-E1959 VanDerWaalsContact NH1-O 3.08Å; R1480-E1959 IonicContact NH1-OE2 2.88Å; R1480-E1959 PolarHBondContact NH1-OE2 3.06Å; R1480-E1959 PolarHBondContact NH2-O 3.16Å; R1480-E1959 VanDerWaalsContact NH2-O 3.14Å |
| 1481 | L | 92 | Very high | 87.9 | Confident | 88.2 Ų | 88.2 | 55.2 Ų | 55.2 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.2 | 177.6 | -175.1 | 75.4 | 0 | 0 | 0 | 110.8 | D1450 I1451 F1452 R1483 | D1450-L1481 HydrophobicContact CB-CD1 3.97Å; I1451-L1481 WeakPolarHBondContact O-CD1 3.39Å; F1452-L1481 HydrophobicContact CD1-CB 4.32Å; F1452-L1481 HydrophobicContact CD2-CD1 4.31Å; F1452-L1481 HydrophobicContact CE1-CB 3.98Å; F1452-L1481 HydrophobicContact CE1-CD1 4.13Å; F1452-L1481 HydrophobicContact CE2-CD1 3.8Å; F1452-L1481 HydrophobicContact CZ-CB 4.37Å; F1452-L1481 HydrophobicContact CZ-CD1 3.69Å; L1481-R1483 PolarHBondContact O-N 3.02Å |
| 1482 | K | 89.7 | Confident | 88 | Confident | 46.2 Ų | 46.2 | 52.8 Ų | 52.8 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | trans | -83.9 | 106.2 | -178.5 | -169.6 | -176.1 | 179.7 | -174.9 | 0 | 110.1 | I1451 D1461 R1480 T1484 S1485 | I1451-K1482 HydrophobicContact CG2-CB 4.37Å; I1451-K1482 HydrophobicContact CG2-CD 4.32Å; I1451-K1482 WeakPolarHBondContact O-CB 3.48Å; I1451-K1482 PolarHBondContact O-N 3.25Å; D1461-K1482 PolarHBondContact O-NZ 3.15Å; R1480-K1482 PolarHBondContact O-N 3.04Å; K1482-T1484 VanDerWaalsContact C-N 3.27Å; K1482-T1484 WeakPolarHBondContact CE-O 3.36Å; K1482-T1484 WeakPolarHBondContact CG-O 3.4Å; K1482-T1484 PolarHBondContact O-N 3.16Å; K1482-S1485 WeakPolarHBondContact CD-OG 3.49Å; K1482-S1485 WeakPolarHBondContact CE-OG 3.41Å; K1482-S1485 PolarHBondContact NZ-OG 3.19Å; K1482-S1485 VanDerWaalsContact NZ-OG 3.09Å | ||
| 1483 | R | 82.8 | Confident | 87.9 | Confident | 192.6 Ų | 192.6 | 54 Ų | 54 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | trans | -73.6 | -16.9 | -174.5 | -66.5 | -178.2 | 178.9 | 173.2 | -1.3 | 115.1 | L1481 T1948 M1951 I1955 | L1481-R1483 PolarHBondContact O-N 3.02Å; R1483-T1948 HydrophobicContact CB-CG2 4.03Å; R1483-T1948 PolarHBondContact NH1-O 3.49Å; R1483-M1951 PolarHBondContact NH1-O 3.35Å; R1483-M1951 VanDerWaalsContact NH1-O 3.16Å; R1483-M1951 PolarHBondContact NH2-O 3Å; R1483-I1955 VanDerWaalsContact NH2-CD1 3.29Å | ||
| 1484 | T | 71.1 | Confident | 87.8 | Confident | 106 Ų | 106 | 56.6 Ų | 56.6 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -104.1 | 95.3 | -173.6 | 49 | 0 | 0 | 0 | 0 | 112.2 | K1482 | K1482-T1484 VanDerWaalsContact C-N 3.27Å; K1482-T1484 WeakPolarHBondContact CE-O 3.36Å; K1482-T1484 WeakPolarHBondContact CG-O 3.4Å; K1482-T1484 PolarHBondContact O-N 3.16Å |
| 1485 | S | 69.1 | Low | 87.6 | Confident | 57.6 Ų | 57.6 | 61.9 Ų | 61.9 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | trans | 85.6 | 84.3 | -177.8 | -16.1 | 0 | 0 | 0 | 0 | 112.7 | K1482 T1487 | K1482-S1485 WeakPolarHBondContact CD-OG 3.49Å; K1482-S1485 WeakPolarHBondContact CE-OG 3.41Å; K1482-S1485 PolarHBondContact NZ-OG 3.19Å; K1482-S1485 VanDerWaalsContact NZ-OG 3.09Å; S1485-T1487 PolarHBondContact O-N 3.18Å; S1485-T1487 VanDerWaalsContact O-N 3.12Å | ||
| 1486 | P | 74.1 | Confident | 87.5 | Confident | 83.2 Ų | 83.2 | 60.9 Ų | 60.9 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | trans | -75.5 | 3.7 | -179 | 33.2 | -37.5 | 0 | 0 | 0 | 114 | R1448 Q1449 | R1448-P1486 VanDerWaalsContact CA-O 3.29Å; R1448-P1486 WeakPolarHBondContact CA-O 3.35Å; R1448-P1486 WeakPolarHBondContact CG-O 3.44Å; Q1449-P1486 PolarHBondContact N-O 3.1Å | ||
| 1487 | T | 90.9 | Very high | 87.6 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 110 | -179.8 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | I1447 R1448 S1485 | I1447-T1487 VanDerWaalsContact O-CA 3.28Å; I1447-T1487 WeakPolarHBondContact O-CA 3.31Å; R1448-T1487 HydrophobicContact CB-CG2 4.48Å; R1448-T1487 HydrophobicContact CG-CG2 3.5Å; R1448-T1487 VanDerWaalsContact CG-CG2 3.48Å; S1485-T1487 PolarHBondContact O-N 3.18Å; S1485-T1487 VanDerWaalsContact O-N 3.12Å |
| 1488 | A | 92.7 | Very high | 87.8 | Confident | 14.6 Ų | 14.6 | 60.2 Ų | 60.2 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 169.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1447 Q1449 I1451 | I1447-A1488 PolarHBondContact N-O 3.17Å; I1447-A1488 PolarHBondContact O-N 3.15Å; Q1449-A1488 PolarHBondContact NE2-O 3.11Å; I1451-A1488 HydrophobicContact CD1-CB 3.87Å; I1451-A1488 HydrophobicContact CG1-CB 4.09Å |
| 1489 | Y | 94.1 | Very high | 87.9 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | trans | -95.8 | -160 | 162.9 | 60.9 | -88.7 | 0 | 0 | 0 | 109.8 | F1439 G1443 P1444 H1446 C1464 D1491 | F1439-Y1489 AromaticContact CD2-CD2 3.82Å; F1439-Y1489 HydrophobicContact CD2-CD2 3.82Å; F1439-Y1489 AromaticContact CE2-CD2 3.89Å; F1439-Y1489 HydrophobicContact CE2-CD2 3.89Å; F1439-Y1489 HydrophobicContact CE2-CE2 4.26Å; G1443-Y1489 WeakPolarHBondContact O-CB 3.4Å; P1444-Y1489 VanDerWaalsContact O-CD1 3.25Å; P1444-Y1489 WeakPolarHBondContact O-CD1 3.4Å; H1446-Y1489 AromaticContact CE1-CD1 3.62Å; H1446-Y1489 AromaticContact CE1-CE1 3.52Å; H1446-Y1489 VanDerWaalsContact CE1-CE1 3.46Å; H1446-Y1489 WeakPolarHBondContact CE1-CE1 3.31Å; H1446-Y1489 AromaticContact ND1-CD1 3.56Å; H1446-Y1489 AromaticContact ND1-CE1 3.9Å; C1464-Y1489 PolarHBondContact SG-O 3.1Å; C1464-Y1489 VanDerWaalsContact SG-O 3.37Å; Y1489-D1491 WeakPolarHBondContact CE2-OD1 3.35Å; Y1489-D1491 VanDerWaalsContact CZ-OD1 3.3Å; Y1489-D1491 PolarHBondContact OH-OD1 3.18Å | ||
| 1490 | C | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -121.3 | 112.8 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | C1437 S1438 F1439 C1465 C1466 C1469 C1492 | C1437-C1490 PolarHBondContact SG-SG 3.16Å; S1438-C1490 VanDerWaalsContact OG-CB 3.28Å; S1438-C1490 WeakPolarHBondContact OG-CB 3.26Å; F1439-C1490 HydrophobicContact CB-CB 4.37Å; C1465-C1490 VanDerWaalsContact CA-SG 3.57Å; C1466-C1490 HydrophobicContact CB-CB 4.03Å; C1466-C1490 PolarHBondContact N-SG 3.06Å; C1466-C1490 VanDerWaalsContact N-SG 3.39Å; C1466-C1490 VanDerWaalsContact SG-SG 3.65Å; C1469-C1490 VanDerWaalsContact SG-SG 3.67Å; C1490-C1492 VanDerWaalsContact C-N 3.32Å; C1490-C1492 PolarHBondContact O-N 3.11Å; C1490-C1492 VanDerWaalsContact SG-CB 3.54Å; C1490-C1492 WeakPolarHBondContact SG-CB 3.44Å | ||
| 1491 | D | 94.7 | Very high | 88.1 | Confident | 6.8 Ų | 6.8 | 57 Ų | 57 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | trans | -89.8 | 6.3 | -176.4 | -39.4 | -86 | 0 | 0 | 0 | 113.5 | L1459 L1463 C1464 Y1489 W1493 E1494 | L1459-D1491 HydrophobicContact CD2-CB 4.41Å; L1463-D1491 WeakPolarHBondContact CA-OD2 3.32Å; L1463-D1491 HydrophobicContact CB-CB 4.42Å; L1463-D1491 HydrophobicContact CD2-CB 3.75Å; C1464-D1491 PolarHBondContact N-OD2 3.08Å; C1464-D1491 PolarHBondContact O-N 3.23Å; C1464-D1491 PolarHBondContact SG-OD2 2.95Å; C1464-D1491 VanDerWaalsContact SG-OD2 3.35Å; Y1489-D1491 WeakPolarHBondContact CE2-OD1 3.35Å; Y1489-D1491 VanDerWaalsContact CZ-OD1 3.3Å; Y1489-D1491 PolarHBondContact OH-OD1 3.18Å; D1491-W1493 PolarHBondContact O-N 3.07Å; D1491-E1494 WeakPolarHBondContact O-CB 3.42Å; D1491-E1494 PolarHBondContact O-N 3.17Å | ||
| 1492 | C | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.8 | -31.1 | -174 | -179.8 | 0 | 0 | 0 | 0 | 113.5 | L1459 C1464 C1465 C1469 H1474 C1490 E1494 K1495 C1496 C1498 | L1459-C1492 HydrophobicContact CD1-CB 4.13Å; C1464-C1492 PolarHBondContact O-N 3.17Å; C1465-C1492 HydrophobicContact CB-CB 4.08Å; C1469-C1492 HydrophobicContact CB-CB 4.19Å; H1474-C1492 PolarHBondContact NE2-SG 3.22Å; H1474-C1492 VanDerWaalsContact NE2-SG 3.44Å; C1490-C1492 VanDerWaalsContact C-N 3.32Å; C1490-C1492 PolarHBondContact O-N 3.11Å; C1490-C1492 VanDerWaalsContact SG-CB 3.54Å; C1490-C1492 WeakPolarHBondContact SG-CB 3.44Å; C1492-E1494 PolarHBondContact O-N 3.18Å; C1492-K1495 PolarHBondContact O-N 2.97Å; C1492-C1496 VanDerWaalsContact C-SG 3.57Å; C1492-C1496 WeakPolarHBondContact CA-SG 3.19Å; C1492-C1496 WeakPolarHBondContact CB-SG 3.36Å; C1492-C1496 CarbonylContact O-C 3.32Å; C1492-C1496 WeakPolarHBondContact O-CA 3.46Å; C1492-C1496 WeakPolarHBondContact O-CB 3.36Å; C1492-C1496 PolarHBondContact O-N 3.15Å; C1492-C1496 VanDerWaalsContact O-O 3.11Å; C1492-C1496 PolarHBondContact O-SG 3.28Å; C1492-C1496 WeakPolarHBondContact SG-CB 3.32Å; C1492-C1496 CovalentContact SG-SG 2.06Å; C1492-C1496 PolarHBondContact SG-SG 2.71Å; C1492-C1498 HydrophobicContact CB-CB 4.39Å; C1492-C1498 VanDerWaalsContact SG-SG 3.62Å |
| 1493 | W | 92.3 | Very high | 88.1 | Confident | 38.4 Ų | 38.4 | 53.6 Ų | 53.6 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73 | -21.7 | 179.7 | 67.4 | -93.4 | 0 | 0 | 0 | 114.2 | F1439 D1491 K1495 C1498 L1501 P1594 E1596 P1597 | F1439-W1493 AromaticContact CD1-CD1 3.96Å; F1439-W1493 AromaticContact CD1-NE1 3.94Å; F1439-W1493 AromaticContact CD2-NE1 3.74Å; F1439-W1493 AromaticContact CE1-NE1 3.79Å; F1439-W1493 HydrophobicContact CE2-CZ2 4.46Å; F1439-W1493 AromaticContact CE2-NE1 3.57Å; F1439-W1493 AromaticContact CG-CD1 3.87Å; F1439-W1493 AromaticContact CG-NE1 3.92Å; F1439-W1493 AromaticContact CZ-CE2 3.93Å; F1439-W1493 HydrophobicContact CZ-CZ2 4.16Å; F1439-W1493 AromaticContact CZ-NE1 3.6Å; D1491-W1493 PolarHBondContact O-N 3.07Å; W1493-K1495 VanDerWaalsContact C-N 3.33Å; W1493-K1495 PolarHBondContact O-N 2.91Å; W1493-C1498 HydrophobicContact CB-CB 4.16Å; W1493-L1501 HydrophobicContact CB-CD1 4.11Å; W1493-P1594 HydrophobicContact CE3-CB 4.32Å; W1493-P1594 HydrophobicContact CE3-CG 4.29Å; W1493-P1594 HydrophobicContact CZ3-CB 4.05Å; W1493-P1594 HydrophobicContact CZ3-CG 3.9Å; W1493-E1596 HydrophobicContact CH2-CB 4.18Å; W1493-E1596 HydrophobicContact CH2-CG 4.14Å; W1493-E1596 HydrophobicContact CZ2-CG 4.04Å; W1493-P1597 HydrophobicContact CB-CG 3.9Å; W1493-P1597 VanDerWaalsContact CD2-CD 3.42Å; W1493-P1597 HydrophobicContact CD2-CG 3.7Å; W1493-P1597 VanDerWaalsContact CE3-CD 3.47Å; W1493-P1597 HydrophobicContact CE3-CG 4.03Å; W1493-P1597 HydrophobicContact CG-CG 3.63Å |
| 1494 | E | 90.5 | Very high | 88.6 | Confident | 72.8 Ų | 72.8 | 44.5 Ų | 44.5 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76.8 | -25.7 | 177.7 | -65.2 | -166 | -178.1 | 0 | 0 | 113.3 | D1491 C1492 | D1491-E1494 WeakPolarHBondContact O-CB 3.42Å; D1491-E1494 PolarHBondContact O-N 3.17Å; C1492-E1494 PolarHBondContact O-N 3.18Å |
| 1495 | K | 85.9 | Confident | 89.6 | Confident | 113 Ų | 113 | 40 Ų | 40 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -117 | -18.8 | -176 | -57.8 | -56.6 | 176.5 | -156.5 | 0 | 114.3 | L1459 L1463 C1492 W1493 | L1459-K1495 HydrophobicContact CD2-CB 3.91Å; L1459-K1495 HydrophobicContact CD2-CG 3.73Å; L1459-K1495 HydrophobicContact CG-CB 4.42Å; L1463-K1495 HydrophobicContact CD1-CD 4.32Å; L1463-K1495 HydrophobicContact CD1-CG 4.22Å; C1492-K1495 PolarHBondContact O-N 2.97Å; W1493-K1495 VanDerWaalsContact C-N 3.33Å; W1493-K1495 PolarHBondContact O-N 2.91Å |
| 1496 | C | 84.6 | Confident | 90.8 | Very high | 31.2 Ų | 31.2 | 40.1 Ų | 40.1 | 21% | 0.211 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -139.5 | 153.8 | -174.2 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | H1474 C1492 C1498 | H1474-C1496 PolarHBondContact CE1-SG 2.82Å; C1492-C1496 VanDerWaalsContact C-SG 3.57Å; C1492-C1496 WeakPolarHBondContact CA-SG 3.19Å; C1492-C1496 WeakPolarHBondContact CB-SG 3.36Å; C1492-C1496 CarbonylContact O-C 3.32Å; C1492-C1496 WeakPolarHBondContact O-CA 3.46Å; C1492-C1496 WeakPolarHBondContact O-CB 3.36Å; C1492-C1496 PolarHBondContact O-N 3.15Å; C1492-C1496 VanDerWaalsContact O-O 3.11Å; C1492-C1496 PolarHBondContact O-SG 3.28Å; C1492-C1496 WeakPolarHBondContact SG-CB 3.32Å; C1492-C1496 CovalentContact SG-SG 2.06Å; C1492-C1496 PolarHBondContact SG-SG 2.71Å; C1496-C1498 VanDerWaalsContact C-N 3.27Å; C1496-C1498 PolarHBondContact O-N 3.11Å |
| 1497 | C | 84.4 | Confident | 91.7 | Very high | 98.4 Ų | 98.4 | 39.3 Ų | 39.3 | 67% | 0.665 | 22% | 0.215 | S | C | * | . | trans | -68.8 | 82.9 | 168.9 | -19.8 | 0 | 0 | 0 | 0 | 110 | Q1499 | C1497-Q1499 PolarHBondContact O-N 3.14Š| ||
| 1498 | C | 91.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 8% | 0.081 | 20% | 0.197 | C | C | . | . | trans | -67 | 94.4 | -171.9 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | C1469 C1492 W1493 C1496 S1500 L1501 | C1469-C1498 PolarHBondContact SG-SG 3.25Å; C1492-C1498 HydrophobicContact CB-CB 4.39Å; C1492-C1498 VanDerWaalsContact SG-SG 3.62Å; W1493-C1498 HydrophobicContact CB-CB 4.16Å; C1496-C1498 VanDerWaalsContact C-N 3.27Å; C1496-C1498 PolarHBondContact O-N 3.11Å; C1498-S1500 PolarHBondContact O-N 3.24Å; C1498-S1500 VanDerWaalsContact O-N 3.11Å; C1498-L1501 HydrophobicContact CB-CD1 3.98Å; C1498-L1501 HydrophobicContact CB-CG 3.93Å; C1498-L1501 WeakPolarHBondContact O-CG 3.38Å; C1498-L1501 PolarHBondContact O-N 3.07Å; C1498-L1501 VanDerWaalsContact O-N 3.15Å | ||
| 1499 | Q | 90.7 | Very high | 92.1 | Very high | 87.6 Ų | 87.6 | 35.9 Ų | 35.9 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -59.7 | -22.8 | -179.9 | -59.9 | -179.6 | 7.7 | 0 | 0 | 113.2 | R1380 V1472 C1473 C1497 L1501 I1502 | R1380-Q1499 PolarHBondContact NE-O 3.09Å; R1380-Q1499 VanDerWaalsContact NE-O 3.17Å; R1380-Q1499 PolarHBondContact NH1-O 3.39Å; V1472-Q1499 HydrophobicContact CG1-CB 4.13Å; C1473-Q1499 PolarHBondContact SG-N 3Å; C1473-Q1499 VanDerWaalsContact SG-N 3.41Å; C1497-Q1499 PolarHBondContact O-N 3.14Å; Q1499-L1501 VanDerWaalsContact C-N 3.28Å; Q1499-L1501 PolarHBondContact O-N 2.97Å; Q1499-I1502 PolarHBondContact O-N 3.22Å |
| 1500 | S | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -83.3 | 3.7 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 114.8 | R1380 T1436 C1437 E1468 V1472 C1498 I1502 | R1380-S1500 PolarHBondContact NH2-OG 3.08Å; T1436-S1500 CarbonylContact C-O 3.36Å; T1436-S1500 VanDerWaalsContact CA-O 3.28Å; T1436-S1500 WeakPolarHBondContact CA-O 3.31Å; C1437-S1500 PolarHBondContact N-O 3.08Å; E1468-S1500 PolarHBondContact O-OG 3.33Å; V1472-S1500 WeakPolarHBondContact CB-OG 3.27Å; C1498-S1500 PolarHBondContact O-N 3.24Å; C1498-S1500 VanDerWaalsContact O-N 3.11Å; S1500-I1502 VanDerWaalsContact C-N 3.31Å; S1500-I1502 PolarHBondContact O-N 3.38Å |
| 1501 | L | 93.7 | Very high | 92.1 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -73 | -23 | 174 | -67.3 | 173.7 | 0 | 0 | 0 | 113.7 | N1204 C1437 T1440 W1493 C1498 Q1499 P1597 | N1204-L1501 PolarHBondContact ND2-O 3.26Å; C1437-L1501 HydrophobicContact CB-CD2 4.34Å; T1440-L1501 HydrophobicContact CG2-CD2 3.93Å; W1493-L1501 HydrophobicContact CB-CD1 4.11Å; C1498-L1501 HydrophobicContact CB-CD1 3.98Å; C1498-L1501 HydrophobicContact CB-CG 3.93Å; C1498-L1501 WeakPolarHBondContact O-CG 3.38Å; C1498-L1501 PolarHBondContact O-N 3.07Å; C1498-L1501 VanDerWaalsContact O-N 3.15Å; Q1499-L1501 VanDerWaalsContact C-N 3.28Å; Q1499-L1501 PolarHBondContact O-N 2.97Å; L1501-P1597 HydrophobicContact CD1-CB 4.02Å; L1501-P1597 HydrophobicContact CD1-CG 3.78Å; L1501-P1597 HydrophobicContact CD2-CB 3.86Å; L1501-P1597 HydrophobicContact CD2-CG 4.05Å; L1501-P1597 HydrophobicContact CG-CB 4.47Å |
| 1502 | I | 92.1 | Very high | 92.2 | Very high | 44.6 Ų | 44.6 | 38.4 Ų | 38.4 | 23% | 0.229 | 21% | 0.205 | C | C | . | . | trans | -105 | 125.1 | -175.1 | -57.2 | 169.2 | 0 | 0 | 0 | 109.4 | P1201 Q1202 N1204 T1207 R1380 Q1499 S1500 | P1201-I1502 HydrophobicContact CB-CG2 3.98Å; P1201-I1502 HydrophobicContact CG-CG2 3.84Å; Q1202-I1502 VanDerWaalsContact O-CD1 3.31Å; Q1202-I1502 WeakPolarHBondContact O-CD1 3.41Å; N1204-I1502 WeakPolarHBondContact OD1-CA 3.37Å; T1207-I1502 HydrophobicContact CG2-CG2 4.29Å; R1380-I1502 WeakPolarHBondContact CD-O 3.39Å; R1380-I1502 PolarHBondContact NE-O 2.86Å; R1380-I1502 PolarHBondContact NH1-O 3.21Å; R1380-I1502 VanDerWaalsContact NH1-O 3.08Å; Q1499-I1502 PolarHBondContact O-N 3.22Å; S1500-I1502 VanDerWaalsContact C-N 3.31Å; S1500-I1502 PolarHBondContact O-N 3.38Å | ||
| 1503 | S | 91 | Very high | 92.3 | Very high | 18.4 Ų | 18.4 | 38.4 Ų | 38.4 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | trans | -75.3 | -40.3 | -174.8 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | N1204 T1207 R1380 Q1506 | N1204-S1503 WeakPolarHBondContact OD1-CB 3.42Å; N1204-S1503 PolarHBondContact OD1-N 3.11Å; N1204-S1503 PolarHBondContact OD1-OG 3.07Å; T1207-S1503 PolarHBondContact OG1-OG 3.26Å; R1380-S1503 VanDerWaalsContact CD-O 3.24Å; R1380-S1503 WeakPolarHBondContact CD-O 3.48Å; R1380-S1503 PolarHBondContact NH1-O 3.23Å; S1503-Q1506 PolarHBondContact O-NE2 3.06Å | ||
| 1504 | G | 92.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | 76 | 167.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1506 | G1504-Q1506 PolarHBondContact O-N 3.16Å; G1504-Q1506 VanDerWaalsContact O-N 3.15Å; G1504-Q1506 PolarHBondContact O-NE2 2.99Å | ||
| 1505 | F | 93 | Very high | 92.5 | Very high | 12.4 Ų | 12.4 | 41 Ų | 41 | 5% | 0.054 | 21% | 0.214 | C | C | . | . | trans | -71.2 | 111.3 | -179.2 | -78.7 | -75.3 | 0 | 0 | 0 | 111.8 | E1206 T1207 W1211 L1212 L1215 Y1382 A1507 P1508 R1509 | E1206-F1505 WeakPolarHBondContact O-CE1 3.33Å; E1206-F1505 WeakPolarHBondContact O-CZ 3.38Å; T1207-F1505 VanDerWaalsContact C-CE1 3.46Å; T1207-F1505 VanDerWaalsContact CA-CE1 3.49Å; T1207-F1505 VanDerWaalsContact O-CD1 3.25Å; T1207-F1505 WeakPolarHBondContact O-CD1 3.33Å; T1207-F1505 WeakPolarHBondContact O-CE1 3.38Å; W1211-F1505 HydrophobicContact CB-CE1 4.11Å; W1211-F1505 HydrophobicContact CB-CZ 3.94Å; L1212-F1505 HydrophobicContact CB-CD1 3.88Å; L1212-F1505 HydrophobicContact CB-CE1 3.75Å; L1212-F1505 HydrophobicContact CB-CZ 4.33Å; L1212-F1505 HydrophobicContact CD1-CB 4.45Å; L1212-F1505 HydrophobicContact CD1-CD1 4.26Å; L1212-F1505 HydrophobicContact CD1-CD2 4.22Å; L1212-F1505 HydrophobicContact CD1-CE2 4.43Å; L1212-F1505 HydrophobicContact CD1-CG 4.09Å; L1212-F1505 HydrophobicContact CD2-CD1 4.44Å; L1212-F1505 HydrophobicContact CG-CD1 4.44Å; L1215-F1505 HydrophobicContact CD1-CE2 3.98Å; L1215-F1505 HydrophobicContact CD1-CZ 3.9Å; Y1382-F1505 WeakPolarHBondContact CD2-O 3.34Å; F1505-A1507 HydrophobicContact CE1-CB 3.86Å; F1505-A1507 HydrophobicContact CE2-CB 4.46Å; F1505-A1507 HydrophobicContact CZ-CB 3.69Å; F1505-A1507 PolarHBondContact O-N 3.1Å; F1505-P1508 HydrophobicContact CB-CG 4.03Å; F1505-P1508 HydrophobicContact CD1-CG 3.67Å; F1505-P1508 HydrophobicContact CE1-CG 3.95Å; F1505-P1508 WeakPolarHBondContact O-CD 3.19Å; F1505-R1509 PolarHBondContact O-N 3.02Å | ||
| 1506 | Q | 93.9 | Very high | 92.8 | Very high | 59.4 Ų | 59.4 | 35.7 Ų | 35.7 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.3 | -34 | -171.7 | -59.7 | -53.8 | -61.6 | 0 | 0 | 114.2 | S1503 G1504 R1509 H1510 | S1503-Q1506 PolarHBondContact O-NE2 3.06Å; G1504-Q1506 PolarHBondContact O-N 3.16Å; G1504-Q1506 VanDerWaalsContact O-N 3.15Å; G1504-Q1506 PolarHBondContact O-NE2 2.99Å; Q1506-R1509 VanDerWaalsContact O-CB 3.27Å; Q1506-R1509 WeakPolarHBondContact O-CB 3.39Å; Q1506-R1509 PolarHBondContact O-N 3.08Å; Q1506-R1509 VanDerWaalsContact O-N 3.12Å; Q1506-R1509 VanDerWaalsContact OE1-CD 3.27Å; Q1506-H1510 PolarHBondContact O-N 3.09Å; Q1506-H1510 VanDerWaalsContact O-N 3.09Å; Q1506-H1510 PolarHBondContact O-ND1 3.18Å |
| 1507 | A | 93.8 | Very high | 93.2 | Very high | 66 Ų | 66 | 34.3 Ų | 34.3 | 55% | 0.545 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -48.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F1505 R1509 H1510 E1511 | F1505-A1507 HydrophobicContact CE1-CB 3.86Å; F1505-A1507 HydrophobicContact CE2-CB 4.46Å; F1505-A1507 HydrophobicContact CZ-CB 3.69Å; F1505-A1507 PolarHBondContact O-N 3.1Å; A1507-R1509 VanDerWaalsContact C-N 3.28Å; A1507-R1509 PolarHBondContact O-N 3.13Å; A1507-H1510 PolarHBondContact O-N 3.3Å; A1507-E1511 PolarHBondContact O-N 3.06Å; A1507-E1511 VanDerWaalsContact O-N 3.12Å |
| 1508 | P | 94.9 | Very high | 93.3 | Very high | 5.2 Ų | 5.2 | 31.4 Ų | 31.4 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -28.3 | 169.7 | -25.8 | 35 | 0 | 0 | 0 | 114.6 | L1212 S1383 F1505 L1512 | L1212-P1508 HydrophobicContact CD1-CG 3.97Å; L1212-P1508 HydrophobicContact CD2-CG 4.33Å; S1383-P1508 WeakPolarHBondContact OG-CG 3.4Å; F1505-P1508 HydrophobicContact CB-CG 4.03Å; F1505-P1508 HydrophobicContact CD1-CG 3.67Å; F1505-P1508 HydrophobicContact CE1-CG 3.95Å; F1505-P1508 WeakPolarHBondContact O-CD 3.19Å; P1508-L1512 VanDerWaalsContact O-CB 3.24Å; P1508-L1512 WeakPolarHBondContact O-CB 3.3Å; P1508-L1512 PolarHBondContact O-N 3.07Å |
| 1509 | R | 96.8 | Very high | 92.9 | Very high | 3.6 Ų | 3.6 | 31.9 Ų | 31.9 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.5 | -166.2 | -170.4 | 174.7 | -167.2 | -3.1 | 111.2 | Y1382 L1431 N1434 D1435 F1505 Q1506 A1507 F1513 F1606 | Y1382-R1509 HydrophobicContact CD1-CB 4.33Å; Y1382-R1509 HydrophobicContact CD1-CG 4.13Å; Y1382-R1509 HydrophobicContact CD2-CB 3.69Å; Y1382-R1509 HydrophobicContact CD2-CG 4.01Å; Y1382-R1509 HydrophobicContact CE1-CB 4.48Å; Y1382-R1509 HydrophobicContact CE1-CG 3.93Å; Y1382-R1509 HydrophobicContact CE2-CB 3.93Å; Y1382-R1509 HydrophobicContact CE2-CG 3.78Å; Y1382-R1509 HydrophobicContact CG-CB 3.89Å; Y1382-R1509 HydrophobicContact CG-CG 4.16Å; L1431-R1509 HydrophobicContact CD2-CG 3.87Å; L1431-R1509 PolarHBondContact O-NE 2.87Å; L1431-R1509 VanDerWaalsContact O-NE 3.16Å; L1431-R1509 PolarHBondContact O-NH2 3.09Å; N1434-R1509 VanDerWaalsContact C-NH2 3.26Å; N1434-R1509 VanDerWaalsContact O-CZ 3.29Å; N1434-R1509 PolarHBondContact O-NH1 3.17Å; N1434-R1509 PolarHBondContact O-NH2 3.02Å; N1434-R1509 VanDerWaalsContact O-NH2 3.15Å; D1435-R1509 IonicContact OD1-CZ 3.4Å; D1435-R1509 VanDerWaalsContact OD1-CZ 3.26Å; D1435-R1509 IonicContact OD1-NH1 3.22Å; D1435-R1509 PolarHBondContact OD1-NH1 2.99Å; D1435-R1509 IonicContact OD1-NH2 3.11Å; D1435-R1509 PolarHBondContact OD1-NH2 3.34Å; F1505-R1509 PolarHBondContact O-N 3.02Å; Q1506-R1509 VanDerWaalsContact O-CB 3.27Å; Q1506-R1509 WeakPolarHBondContact O-CB 3.39Å; Q1506-R1509 PolarHBondContact O-N 3.08Å; Q1506-R1509 VanDerWaalsContact O-N 3.12Å; Q1506-R1509 VanDerWaalsContact OE1-CD 3.27Å; A1507-R1509 VanDerWaalsContact C-N 3.28Å; A1507-R1509 PolarHBondContact O-N 3.13Å; R1509-F1513 WeakPolarHBondContact O-CB 3.29Å; R1509-F1513 PolarHBondContact O-N 3.04Å; R1509-F1513 VanDerWaalsContact O-N 3.08Å; R1509-F1606 HydrophobicContact CB-CD2 4.41Å; R1509-F1606 HydrophobicContact CB-CE2 4.23Å; R1509-F1606 HydrophobicContact CG-CD2 3.92Å; R1509-F1606 HydrophobicContact CG-CE2 3.57Å; R1509-F1606 HydrophobicContact CG-CZ 4.05Å; R1509-F1606 VanDerWaalsContact NH1-CB 3.25Å |
| 1510 | H | 95.3 | Very high | 92.7 | Very high | 45.4 Ų | 45.4 | 28.4 Ų | 28.4 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.2 | -44.3 | 177 | -66.3 | 92.2 | 0 | 0 | 0 | 112.3 | Q1506 A1507 L1512 F1513 Y1514 F1606 D1609 | Q1506-H1510 PolarHBondContact O-N 3.09Å; Q1506-H1510 VanDerWaalsContact O-N 3.09Å; Q1506-H1510 PolarHBondContact O-ND1 3.18Å; A1507-H1510 PolarHBondContact O-N 3.3Å; H1510-L1512 PolarHBondContact O-N 2.88Å; H1510-F1513 PolarHBondContact O-N 3.06Å; H1510-Y1514 PolarHBondContact O-N 3.01Å; H1510-F1606 AromaticContact CD2-CD2 3.68Å; H1510-F1606 AromaticContact CD2-CE2 3.93Å; H1510-F1606 AromaticContact CE1-CD2 3.7Å; H1510-F1606 AromaticContact NE2-CD2 3.43Å; H1510-F1606 WeakPolarHBondContact NE2-CD2 3.35Å; H1510-D1609 IonicContact CE1-OD2 2.62Å; H1510-D1609 WeakPolarHBondContact NE2-CB 3.44Å; H1510-D1609 IonicContact NE2-OD2 3.04Å; H1510-D1609 PolarHBondContact NE2-OD2 3.25Å |
| 1511 | E | 95.2 | Very high | 92.3 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 30% | 0.304 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.5 | -166.8 | -166 | 142 | 0 | 0 | 111.7 | R1386 A1507 F1513 Y1514 K1515 | R1386-E1511 VanDerWaalsContact CD-OE1 3.26Å; R1386-E1511 WeakPolarHBondContact CD-OE1 3.48Å; R1386-E1511 WeakPolarHBondContact CD-OE2 3.37Å; R1386-E1511 IonicContact CZ-OE1 3.22Å; R1386-E1511 IonicContact CZ-OE2 3.12Å; R1386-E1511 VanDerWaalsContact CZ-OE2 3.24Å; R1386-E1511 IonicContact NE-OE1 3.01Å; R1386-E1511 PolarHBondContact NE-OE1 3.42Å; R1386-E1511 IonicContact NE-OE2 2.92Å; R1386-E1511 PolarHBondContact NE-OE2 2.9Å; R1386-E1511 VanDerWaalsContact NE-OE2 3.15Å; R1386-E1511 IonicContact NH1-OE1 3.73Å; R1386-E1511 IonicContact NH1-OE2 2.84Å; R1386-E1511 PolarHBondContact NH1-OE2 3.09Å; R1386-E1511 VanDerWaalsContact NH2-CD 3.35Å; R1386-E1511 IonicContact NH2-OE1 3.24Å; R1386-E1511 PolarHBondContact NH2-OE1 3.4Å; R1386-E1511 IonicContact NH2-OE2 2.95Å; R1386-E1511 PolarHBondContact NH2-OE2 3.11Å; A1507-E1511 PolarHBondContact O-N 3.06Å; A1507-E1511 VanDerWaalsContact O-N 3.12Å; E1511-F1513 VanDerWaalsContact C-N 3.35Å; E1511-F1513 PolarHBondContact O-N 3.06Å; E1511-Y1514 PolarHBondContact O-N 3.13Å; E1511-K1515 HydrophobicContact CG-CD 4.42Å; E1511-K1515 WeakPolarHBondContact O-CB 3.42Å; E1511-K1515 WeakPolarHBondContact O-CG 3.35Å; E1511-K1515 PolarHBondContact O-N 2.99Å; E1511-K1515 WeakPolarHBondContact OE1-CE 3.44Å; E1511-K1515 IonicContact OE1-NZ 3.03Å; E1511-K1515 PolarHBondContact OE1-NZ 3.23Å |
| 1512 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 177.1 | -179.4 | 60.4 | 0 | 0 | 0 | 112.1 | F1373 I1377 A1385 Y1389 L1431 P1508 H1510 K1515 L1516 | F1373-L1512 HydrophobicContact CE2-CD1 4.05Å; F1373-L1512 HydrophobicContact CZ-CD1 4.17Å; I1377-L1512 HydrophobicContact CD1-CD2 4.12Å; I1377-L1512 HydrophobicContact CG1-CD2 3.99Å; A1385-L1512 HydrophobicContact CB-CD2 3.45Å; A1385-L1512 VanDerWaalsContact CB-CD2 3.45Å; Y1389-L1512 HydrophobicContact CG-CD1 4.4Å; L1431-L1512 HydrophobicContact CD1-CD2 4.36Å; L1431-L1512 HydrophobicContact CD1-CG 4.16Å; L1431-L1512 HydrophobicContact CD2-CD2 4.37Å; P1508-L1512 VanDerWaalsContact O-CB 3.24Å; P1508-L1512 WeakPolarHBondContact O-CB 3.3Å; P1508-L1512 PolarHBondContact O-N 3.07Å; H1510-L1512 PolarHBondContact O-N 2.88Å; L1512-K1515 PolarHBondContact O-N 3.07Å; L1512-L1516 HydrophobicContact CD1-CD1 4.18Å; L1512-L1516 HydrophobicContact CD1-CG 4.2Å; L1512-L1516 HydrophobicContact CG-CD1 4.06Å; L1512-L1516 HydrophobicContact CG-CG 4.46Å; L1512-L1516 WeakPolarHBondContact O-CB 3.39Å; L1512-L1516 WeakPolarHBondContact O-CG 3.41Å; L1512-L1516 PolarHBondContact O-N 3.2Å |
| 1513 | F | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 173.1 | -179.3 | -97.9 | 0 | 0 | 0 | 111.2 | L1428 L1431 C1432 R1509 H1510 E1511 K1515 L1516 L1517 L1533 L1537 F1606 A1610 L1613 | L1428-F1513 HydrophobicContact CD2-CD2 3.85Å; L1428-F1513 HydrophobicContact CD2-CE2 3.89Å; L1431-F1513 HydrophobicContact CB-CD2 4.48Å; L1431-F1513 HydrophobicContact CD1-CB 4.27Å; L1431-F1513 HydrophobicContact CD1-CD2 4.48Å; C1432-F1513 WeakPolarHBondContact SG-CE2 3.35Å; R1509-F1513 WeakPolarHBondContact O-CB 3.29Å; R1509-F1513 PolarHBondContact O-N 3.04Å; R1509-F1513 VanDerWaalsContact O-N 3.08Å; H1510-F1513 PolarHBondContact O-N 3.06Å; E1511-F1513 VanDerWaalsContact C-N 3.35Å; E1511-F1513 PolarHBondContact O-N 3.06Å; F1513-K1515 PolarHBondContact O-N 3.11Å; F1513-L1516 PolarHBondContact O-N 2.91Å; F1513-L1517 HydrophobicContact CE1-CD2 4.05Å; F1513-L1517 HydrophobicContact CZ-CD2 4.5Å; F1513-L1517 VanDerWaalsContact O-CB 3.23Å; F1513-L1517 WeakPolarHBondContact O-CB 3.34Å; F1513-L1517 PolarHBondContact O-N 3.11Å; F1513-L1533 HydrophobicContact CE2-CD2 4.07Å; F1513-L1533 HydrophobicContact CZ-CD2 4.14Å; F1513-L1537 HydrophobicContact CZ-CD1 4.35Å; F1513-F1606 HydrophobicContact CB-CE2 4.4Å; F1513-F1606 HydrophobicContact CB-CZ 4.03Å; F1513-F1606 HydrophobicContact CD2-CZ 4.14Å; F1513-F1606 HydrophobicContact CG-CZ 4.09Å; F1513-A1610 HydrophobicContact CD1-CB 4.08Å; F1513-A1610 HydrophobicContact CE1-CB 3.73Å; F1513-A1610 VanDerWaalsContact CE1-O 3.31Å; F1513-A1610 WeakPolarHBondContact CE1-O 3.41Å; F1513-A1610 HydrophobicContact CE2-CB 4.28Å; F1513-A1610 HydrophobicContact CG-CB 4.4Å; F1513-A1610 HydrophobicContact CZ-CB 3.85Å; F1513-L1613 HydrophobicContact CD1-CD1 4.44Å; F1513-L1613 HydrophobicContact CE1-CB 4.35Å |
| 1514 | Y | 94.4 | Very high | 91.7 | Very high | 125.8 Ų | 125.8 | 34.2 Ų | 34.2 | 49% | 0.493 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61 | -43.7 | 176.6 | 179 | -94.4 | 0 | 0 | 0 | 112.7 | H1510 E1511 L1516 L1517 S1518 L1613 | H1510-Y1514 PolarHBondContact O-N 3.01Å; E1511-Y1514 PolarHBondContact O-N 3.13Å; Y1514-L1516 VanDerWaalsContact C-N 3.34Å; Y1514-L1516 PolarHBondContact O-N 2.86Å; Y1514-L1517 PolarHBondContact O-N 3.12Å; Y1514-L1517 VanDerWaalsContact O-N 3.14Å; Y1514-S1518 WeakPolarHBondContact O-CB 3.36Å; Y1514-S1518 PolarHBondContact O-N 3.1Å; Y1514-S1518 PolarHBondContact O-OG 3.23Å; Y1514-L1613 HydrophobicContact CD2-CD2 4.36Å |
| 1515 | K | 93.1 | Very high | 91.4 | Very high | 41.8 Ų | 41.8 | 37 Ų | 37 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.5 | -80.1 | -176.6 | 173.9 | -177.5 | 0 | 112.4 | R1386 Y1389 D1390 E1511 L1512 F1513 S1518 G1519 | R1386-K1515 HydrophobicContact CG-CD 4.45Å; Y1389-K1515 HydrophobicContact CD1-CB 4.21Å; Y1389-K1515 HydrophobicContact CD1-CD 3.93Å; Y1389-K1515 HydrophobicContact CE1-CB 3.82Å; Y1389-K1515 HydrophobicContact CE1-CD 4Å; Y1389-K1515 HydrophobicContact CE1-CG 4.25Å; Y1389-K1515 PolarHBondContact OH-O 3.2Å; D1390-K1515 VanDerWaalsContact CG-NZ 3.26Å; D1390-K1515 WeakPolarHBondContact OD1-CE 3.46Å; D1390-K1515 IonicContact OD1-NZ 3.18Å; D1390-K1515 PolarHBondContact OD1-NZ 3.13Å; D1390-K1515 IonicContact OD2-NZ 2.87Å; D1390-K1515 PolarHBondContact OD2-NZ 3.26Å; E1511-K1515 HydrophobicContact CG-CD 4.42Å; E1511-K1515 WeakPolarHBondContact O-CB 3.42Å; E1511-K1515 WeakPolarHBondContact O-CG 3.35Å; E1511-K1515 PolarHBondContact O-N 2.99Å; E1511-K1515 WeakPolarHBondContact OE1-CE 3.44Å; E1511-K1515 IonicContact OE1-NZ 3.03Å; E1511-K1515 PolarHBondContact OE1-NZ 3.23Å; L1512-K1515 PolarHBondContact O-N 3.07Å; F1513-K1515 PolarHBondContact O-N 3.11Å; K1515-S1518 PolarHBondContact O-N 2.89Å; K1515-S1518 PolarHBondContact O-OG 3.08Å; K1515-G1519 WeakPolarHBondContact O-CA 3.35Å; K1515-G1519 PolarHBondContact O-N 3.13Å |
| 1516 | L | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.9 | -74.2 | 167.3 | 0 | 0 | 0 | 111.9 | F1373 I1377 Y1389 P1427 L1428 L1431 L1512 F1513 Y1514 S1518 T1520 L1522 | F1373-L1516 HydrophobicContact CE1-CD2 4.26Å; F1373-L1516 HydrophobicContact CZ-CD1 4.15Å; F1373-L1516 HydrophobicContact CZ-CD2 3.92Å; F1373-L1516 HydrophobicContact CZ-CG 4.43Å; I1377-L1516 HydrophobicContact CD1-CD1 4.36Å; Y1389-L1516 HydrophobicContact CD2-CD2 3.95Å; Y1389-L1516 HydrophobicContact CE2-CD2 3.94Å; Y1389-L1516 HydrophobicContact CE2-CG 4.47Å; P1427-L1516 HydrophobicContact CB-CD1 3.81Å; P1427-L1516 HydrophobicContact CB-CD2 4.43Å; L1428-L1516 HydrophobicContact CD2-CB 3.58Å; L1428-L1516 HydrophobicContact CD2-CD1 4.36Å; L1428-L1516 HydrophobicContact CG-CB 4.25Å; L1431-L1516 HydrophobicContact CD1-CD1 3.61Å; L1512-L1516 HydrophobicContact CD1-CD1 4.18Å; L1512-L1516 HydrophobicContact CD1-CG 4.2Å; L1512-L1516 HydrophobicContact CG-CD1 4.06Å; L1512-L1516 HydrophobicContact CG-CG 4.46Å; L1512-L1516 WeakPolarHBondContact O-CB 3.39Å; L1512-L1516 WeakPolarHBondContact O-CG 3.41Å; L1512-L1516 PolarHBondContact O-N 3.2Å; F1513-L1516 PolarHBondContact O-N 2.91Å; Y1514-L1516 VanDerWaalsContact C-N 3.34Å; Y1514-L1516 PolarHBondContact O-N 2.86Å; L1516-S1518 VanDerWaalsContact C-N 3.33Å; L1516-S1518 PolarHBondContact O-N 3.06Å; L1516-T1520 HydrophobicContact CD2-CG2 4.01Å; L1516-T1520 WeakPolarHBondContact O-CB 3.41Å; L1516-T1520 PolarHBondContact O-N 3.13Å; L1516-T1520 VanDerWaalsContact O-N 3.11Å; L1516-T1520 PolarHBondContact O-OG1 3.15Å; L1516-L1522 HydrophobicContact CD2-CD1 4.07Å |
| 1517 | L | 91.6 | Very high | 91 | Very high | 3.2 Ų | 3.2 | 37.3 Ų | 37.3 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | -178.6 | -176.6 | 69.9 | 0 | 0 | 0 | 112.9 | L1428 F1513 Y1514 I1523 A1614 C1617 A1620 | L1428-L1517 HydrophobicContact CD1-CD1 4.45Å; L1428-L1517 HydrophobicContact CD2-CB 4.46Å; F1513-L1517 HydrophobicContact CE1-CD2 4.05Å; F1513-L1517 HydrophobicContact CZ-CD2 4.5Å; F1513-L1517 VanDerWaalsContact O-CB 3.23Å; F1513-L1517 WeakPolarHBondContact O-CB 3.34Å; F1513-L1517 PolarHBondContact O-N 3.11Å; Y1514-L1517 PolarHBondContact O-N 3.12Å; Y1514-L1517 VanDerWaalsContact O-N 3.14Å; L1517-I1523 HydrophobicContact CD1-CB 4.3Å; L1517-I1523 HydrophobicContact CD1-CD1 3.75Å; L1517-I1523 HydrophobicContact CD1-CG1 4Å; L1517-A1614 HydrophobicContact CD2-CB 4.42Å; L1517-C1617 HydrophobicContact CD2-CB 3.8Å; L1517-C1617 HydrophobicContact CG-CB 4.14Å; L1517-A1620 HydrophobicContact CD1-CB 4.05Å |
| 1518 | S | 86.8 | Confident | 90.6 | Very high | 37.4 Ų | 37.4 | 37.2 Ų | 37.2 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -92.4 | -27 | -179.5 | 58.6 | 0 | 0 | 0 | 0 | 114 | Y1514 K1515 L1516 C1722 | Y1514-S1518 WeakPolarHBondContact O-CB 3.36Å; Y1514-S1518 PolarHBondContact O-N 3.1Å; Y1514-S1518 PolarHBondContact O-OG 3.23Å; K1515-S1518 PolarHBondContact O-N 2.89Å; K1515-S1518 PolarHBondContact O-OG 3.08Å; L1516-S1518 VanDerWaalsContact C-N 3.33Å; L1516-S1518 PolarHBondContact O-N 3.06Å; S1518-C1722 PolarHBondContact O-SG 3.18Å |
| 1519 | G | 83 | Confident | 90.1 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -105.8 | -0.5 | -173 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1393 K1515 | R1393-G1519 PolarHBondContact NH1-O 3.27Å; K1515-G1519 WeakPolarHBondContact O-CA 3.35Å; K1515-G1519 PolarHBondContact O-N 3.13Å |
| 1520 | T | 86.7 | Confident | 89.6 | Confident | 13.6 Ų | 13.6 | 45.3 Ų | 45.3 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | trans | -139.1 | 155.9 | -179 | 75.7 | 0 | 0 | 0 | 0 | 112.5 | Y1389 F1416 L1516 L1522 C1722 | Y1389-T1520 HydrophobicContact CE2-CG2 4.18Å; F1416-T1520 HydrophobicContact CD2-CG2 4.21Å; F1416-T1520 HydrophobicContact CE2-CG2 4.35Å; L1516-T1520 HydrophobicContact CD2-CG2 4.01Å; L1516-T1520 WeakPolarHBondContact O-CB 3.41Å; L1516-T1520 PolarHBondContact O-N 3.13Å; L1516-T1520 VanDerWaalsContact O-N 3.11Å; L1516-T1520 PolarHBondContact O-OG1 3.15Å; T1520-L1522 VanDerWaalsContact C-N 3.27Å; T1520-L1522 HydrophobicContact CG2-CD1 4.45Å; T1520-L1522 PolarHBondContact O-N 3.14Å; T1520-L1522 VanDerWaalsContact O-N 3.13Å; T1520-L1522 WeakPolarHBondContact OG1-CB 3.36Å; T1520-L1522 WeakPolarHBondContact OG1-CD1 3.38Å; T1520-L1522 VanDerWaalsContact OG1-CG 3.26Å; T1520-L1522 WeakPolarHBondContact OG1-CG 3.39Å; T1520-L1522 PolarHBondContact OG1-N 3.05Å; T1520-C1722 VanDerWaalsContact C-SG 3.57Å; T1520-C1722 PolarHBondContact N-SG 3.02Å; T1520-C1722 VanDerWaalsContact N-SG 3.44Å; T1520-C1722 PolarHBondContact O-SG 2.92Å | ||
| 1521 | K | 85.3 | Confident | 89.3 | Confident | 112.4 Ų | 112.4 | 44 Ų | 44 | 49% | 0.489 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -80.9 | 10 | 173.6 | -62.7 | -167.6 | 174.8 | -168.3 | 0 | 113.8 | I1523 H1524 D1723 | K1521-I1523 PolarHBondContact O-N 3.04Å; K1521-I1523 VanDerWaalsContact O-N 3.09Å; K1521-H1524 PolarHBondContact O-CD2 3.07Å; K1521-H1524 PolarHBondContact O-N 3.15Å; K1521-D1723 WeakPolarHBondContact CE-OD2 3.37Å; K1521-D1723 IonicContact NZ-OD2 3.21Å; K1521-D1723 PolarHBondContact NZ-OD2 2.97Å |
| 1522 | L | 88 | Confident | 89.3 | Confident | 5.4 Ų | 5.4 | 40.9 Ų | 40.9 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -61.3 | -20.2 | -177.7 | -64.5 | 176.9 | 0 | 0 | 0 | 114 | L1413 F1416 S1417 P1427 L1428 L1516 T1520 H1524 N1525 | L1413-L1522 HydrophobicContact CD2-CD2 4.19Å; F1416-L1522 HydrophobicContact CB-CD1 4.42Å; S1417-L1522 VanDerWaalsContact CB-CD2 3.45Å; P1427-L1522 HydrophobicContact CB-CD1 4.08Å; P1427-L1522 HydrophobicContact CG-CD1 3.96Å; L1428-L1522 HydrophobicContact CD1-CB 3.73Å; L1428-L1522 HydrophobicContact CG-CB 4.22Å; L1516-L1522 HydrophobicContact CD2-CD1 4.07Å; T1520-L1522 VanDerWaalsContact C-N 3.27Å; T1520-L1522 HydrophobicContact CG2-CD1 4.45Å; T1520-L1522 PolarHBondContact O-N 3.14Å; T1520-L1522 VanDerWaalsContact O-N 3.13Å; T1520-L1522 WeakPolarHBondContact OG1-CB 3.36Å; T1520-L1522 WeakPolarHBondContact OG1-CD1 3.38Å; T1520-L1522 VanDerWaalsContact OG1-CG 3.26Å; T1520-L1522 WeakPolarHBondContact OG1-CG 3.39Å; T1520-L1522 PolarHBondContact OG1-N 3.05Å; L1522-H1524 VanDerWaalsContact C-N 3.28Å; L1522-H1524 PolarHBondContact O-N 3.34Å; L1522-N1525 WeakPolarHBondContact O-CB 3.46Å; L1522-N1525 PolarHBondContact O-N 3.17Å |
| 1523 | I | 89.9 | Confident | 89.2 | Confident | 2.2 Ų | 2.2 | 41 Ų | 41 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -65.5 | -27.9 | 179.3 | -171.2 | 55.8 | 0 | 0 | 0 | 113.3 | L1428 L1517 K1521 N1525 H1532 L1533 L1534 A1620 | L1428-I1523 HydrophobicContact CD1-CB 4.34Å; L1517-I1523 HydrophobicContact CD1-CB 4.3Å; L1517-I1523 HydrophobicContact CD1-CD1 3.75Å; L1517-I1523 HydrophobicContact CD1-CG1 4Å; K1521-I1523 PolarHBondContact O-N 3.04Å; K1521-I1523 VanDerWaalsContact O-N 3.09Å; I1523-N1525 VanDerWaalsContact C-N 3.26Å; I1523-N1525 PolarHBondContact O-N 3.12Å; I1523-H1532 PolarHBondContact O-CD2 3.24Å; I1523-H1532 VanDerWaalsContact O-CD2 3.3Å; I1523-H1532 PolarHBondContact O-NE2 3.12Å; I1523-H1532 VanDerWaalsContact O-NE2 3.1Å; I1523-L1533 HydrophobicContact CD1-CB 3.9Å; I1523-L1533 HydrophobicContact CD1-CD2 3.65Å; I1523-L1533 HydrophobicContact CD1-CG 4.39Å; I1523-L1534 HydrophobicContact CD1-CD1 4.3Å; I1523-A1620 HydrophobicContact CD1-CB 3.93Å; I1523-A1620 HydrophobicContact CG1-CB 3.68Å |
| 1524 | H | 86.8 | Confident | 89.3 | Confident | 94.8 Ų | 94.8 | 41 Ų | 41 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -73.2 | -16.3 | 177.8 | -59.8 | -84.9 | 0 | 0 | 0 | 112.9 | K1521 L1522 | K1521-H1524 PolarHBondContact O-CD2 3.07Å; K1521-H1524 PolarHBondContact O-N 3.15Å; L1522-H1524 VanDerWaalsContact C-N 3.28Å; L1522-H1524 PolarHBondContact O-N 3.34Å |
| 1525 | N | 86.2 | Confident | 89.3 | Confident | 59.6 Ų | 59.6 | 35 Ų | 35 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | trans | -74.4 | 141.9 | 179.8 | -63.8 | -8.8 | 0 | 0 | 0 | 110.6 | F1429 L1522 I1523 | F1429-N1525 WeakPolarHBondContact CE2-O 3.41Å; L1522-N1525 WeakPolarHBondContact O-CB 3.46Å; L1522-N1525 PolarHBondContact O-N 3.17Å; I1523-N1525 VanDerWaalsContact C-N 3.26Å; I1523-N1525 PolarHBondContact O-N 3.12Å | ||
| 1526 | R | 89.6 | Confident | 89.4 | Confident | 76.6 Ų | 76.6 | 33.4 Ų | 33.4 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | trans | -95.7 | 158.5 | 172.5 | -58.1 | 178.6 | -162 | -163 | 6.1 | 110.1 | L1423 G1530 E1531 L1627 D1628 Q1661 | L1423-R1526 WeakPolarHBondContact CB-O 3.33Å; R1526-G1530 VanDerWaalsContact CD-O 3.3Å; R1526-G1530 WeakPolarHBondContact CD-O 3.36Å; R1526-E1531 CarbonylContact C-O 3.55Å; R1526-E1531 VanDerWaalsContact CA-O 3.29Å; R1526-E1531 WeakPolarHBondContact CA-O 3.27Å; R1526-L1627 HydrophobicContact CG-CD1 4.39Å; R1526-L1627 VanDerWaalsContact NH2-CD1 3.33Å; R1526-L1627 PolarHBondContact NH2-O 2.91Å; R1526-D1628 IonicContact CZ-OD1 2.86Å; R1526-D1628 VanDerWaalsContact CZ-OD1 3.23Å; R1526-D1628 IonicContact CZ-OD2 3.69Å; R1526-D1628 IonicContact NH1-OD1 2.87Å; R1526-D1628 PolarHBondContact NH1-OD1 3.1Å; R1526-D1628 IonicContact NH1-OD2 3.13Å; R1526-D1628 PolarHBondContact NH1-OD2 3.22Å; R1526-D1628 VanDerWaalsContact NH1-OD2 3.1Å; R1526-D1628 IonicContact NH2-OD1 3.06Å; R1526-D1628 PolarHBondContact NH2-OD1 3.06Å; R1526-D1628 IonicContact NH2-OD2 3.19Å; R1526-D1628 PolarHBondContact NH2-OD2 3.06Å; R1526-D1628 VanDerWaalsContact NH2-OD2 3.15Å; R1526-Q1661 VanDerWaalsContact NH1-NE2 3.1Å | ||
| 1527 | N | 89 | Confident | 89.6 | Confident | 1.4 Ų | 1.4 | 33.4 Ų | 33.4 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | trans | -76.8 | 177.3 | 171.5 | 76.1 | 9.1 | 0 | 0 | 0 | 111.9 | D1424 F1429 Y1433 R1529 G1530 E1531 | D1424-N1527 WeakPolarHBondContact OD1-CB 3.31Å; F1429-N1527 HydrophobicContact CD1-CB 3.92Å; F1429-N1527 HydrophobicContact CD2-CB 4.37Å; F1429-N1527 HydrophobicContact CE1-CB 3.7Å; F1429-N1527 HydrophobicContact CE2-CB 4.17Å; F1429-N1527 HydrophobicContact CG-CB 4.26Å; F1429-N1527 HydrophobicContact CZ-CB 3.83Å; Y1433-N1527 WeakPolarHBondContact OH-CB 3.4Å; Y1433-N1527 PolarHBondContact OH-ND2 3.34Å; N1527-R1529 PolarHBondContact O-N 3.21Å; N1527-R1529 VanDerWaalsContact O-N 3.12Å; N1527-R1529 VanDerWaalsContact OD1-CA 3.3Å; N1527-R1529 WeakPolarHBondContact OD1-CA 3.36Å; N1527-R1529 VanDerWaalsContact OD1-CB 3.27Å; N1527-R1529 WeakPolarHBondContact OD1-CB 3.38Å; N1527-R1529 PolarHBondContact OD1-N 3.09Å; N1527-G1530 WeakPolarHBondContact O-CA 3.36Å; N1527-G1530 PolarHBondContact O-N 3.33Å; N1527-G1530 PolarHBondContact OD1-N 3.03Å; N1527-E1531 PolarHBondContact N-O 3.17Å; N1527-E1531 PolarHBondContact ND2-OE2 3.08Å; N1527-E1531 VanDerWaalsContact ND2-OE2 3.08Å; N1527-E1531 WeakPolarHBondContact OD1-CB 3.36Å; N1527-E1531 PolarHBondContact OD1-N 3.18Å | ||
| 1528 | A | 84.6 | Confident | 89.9 | Confident | 65.8 Ų | 65.8 | 33.3 Ų | 33.3 | 54% | 0.544 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1423 D1424 G1530 | L1423-A1528 HydrophobicContact CB-CB 4.43Å; D1424-A1528 HydrophobicContact CB-CB 4.3Å; D1424-A1528 VanDerWaalsContact CG-CB 3.45Å; D1424-A1528 VanDerWaalsContact OD1-CB 3.27Å; D1424-A1528 WeakPolarHBondContact OD1-CB 3.32Å; D1424-A1528 PolarHBondContact OD1-N 2.9Å; D1424-A1528 VanDerWaalsContact OD2-CB 3.32Å; D1424-A1528 WeakPolarHBondContact OD2-CB 3.34Å; A1528-G1530 VanDerWaalsContact C-N 3.3Å |
| 1529 | R | 84.6 | Confident | 90.2 | Very high | 151.8 Ų | 151.8 | 34 Ų | 34 | 57% | 0.573 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.7 | 169.6 | -54.8 | -177.6 | -169.8 | -138.8 | -5.2 | 112.6 | N1527 E1531 R1831 | N1527-R1529 PolarHBondContact O-N 3.21Å; N1527-R1529 VanDerWaalsContact O-N 3.12Å; N1527-R1529 VanDerWaalsContact OD1-CA 3.3Å; N1527-R1529 WeakPolarHBondContact OD1-CA 3.36Å; N1527-R1529 VanDerWaalsContact OD1-CB 3.27Å; N1527-R1529 WeakPolarHBondContact OD1-CB 3.38Å; N1527-R1529 PolarHBondContact OD1-N 3.09Å; R1529-E1531 VanDerWaalsContact C-N 3.29Å; R1529-E1531 HydrophobicContact CB-CG 4.13Å; R1529-E1531 IonicContact CZ-OE2 3.13Å; R1529-E1531 IonicContact NE-OE2 3.36Å; R1529-E1531 PolarHBondContact NE-OE2 2.85Å; R1529-E1531 IonicContact NH2-OE2 2.71Å; R1529-E1531 PolarHBondContact NH2-OE2 3.44Å; R1529-E1531 PolarHBondContact O-N 2.96Å; R1529-R1831 PolarHBondContact O-NH2 3.08Å |
| 1530 | G | 85.9 | Confident | 90.9 | Very high | 26.4 Ų | 26.4 | 32.9 Ų | 32.9 | 27% | 0.272 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 75 | 6.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1526 N1527 A1528 Q1661 | R1526-G1530 VanDerWaalsContact CD-O 3.3Å; R1526-G1530 WeakPolarHBondContact CD-O 3.36Å; N1527-G1530 WeakPolarHBondContact O-CA 3.36Å; N1527-G1530 PolarHBondContact O-N 3.33Å; N1527-G1530 PolarHBondContact OD1-N 3.03Å; A1528-G1530 VanDerWaalsContact C-N 3.3Å; G1530-Q1661 PolarHBondContact O-NE2 2.94Å; G1530-Q1661 PolarHBondContact O-OE1 3.31Å |
| 1531 | E | 90.4 | Very high | 91.3 | Very high | 18.4 Ų | 18.4 | 32.5 Ų | 32.5 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | trans | -82.7 | 136.6 | -174.9 | -56.2 | 172.8 | 133.9 | 0 | 0 | 111.7 | F1429 R1526 N1527 R1529 L1535 K1539 R1831 | F1429-E1531 WeakPolarHBondContact CZ-O 3.36Å; R1526-E1531 CarbonylContact C-O 3.55Å; R1526-E1531 VanDerWaalsContact CA-O 3.29Å; R1526-E1531 WeakPolarHBondContact CA-O 3.27Å; N1527-E1531 PolarHBondContact N-O 3.17Å; N1527-E1531 PolarHBondContact ND2-OE2 3.08Å; N1527-E1531 VanDerWaalsContact ND2-OE2 3.08Å; N1527-E1531 WeakPolarHBondContact OD1-CB 3.36Å; N1527-E1531 PolarHBondContact OD1-N 3.18Å; R1529-E1531 VanDerWaalsContact C-N 3.29Å; R1529-E1531 HydrophobicContact CB-CG 4.13Å; R1529-E1531 IonicContact CZ-OE2 3.13Å; R1529-E1531 IonicContact NE-OE2 3.36Å; R1529-E1531 PolarHBondContact NE-OE2 2.85Å; R1529-E1531 IonicContact NH2-OE2 2.71Å; R1529-E1531 PolarHBondContact NH2-OE2 3.44Å; R1529-E1531 PolarHBondContact O-N 2.96Å; E1531-L1535 HydrophobicContact CB-CD2 4.32Å; E1531-L1535 HydrophobicContact CG-CD2 4.33Å; E1531-K1539 IonicContact OE1-NZ 3.13Å; E1531-K1539 PolarHBondContact OE1-NZ 3.3Å; E1531-R1831 VanDerWaalsContact CD-NH2 3.25Å; E1531-R1831 IonicContact OE1-CZ 3.18Å; E1531-R1831 VanDerWaalsContact OE1-CZ 3.24Å; E1531-R1831 IonicContact OE1-NE 2.79Å; E1531-R1831 IonicContact OE1-NH1 2.72Å; E1531-R1831 PolarHBondContact OE1-NH1 3.3Å; E1531-R1831 IonicContact OE1-NH2 3.11Å; E1531-R1831 PolarHBondContact OE1-NH2 3.05Å | ||
| 1532 | H | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -72.3 | 153.9 | 166.5 | -176.9 | -112 | 0 | 0 | 0 | 111.5 | I1523 L1534 L1535 Y1536 S1623 M1624 L1627 | I1523-H1532 PolarHBondContact O-CD2 3.24Å; I1523-H1532 VanDerWaalsContact O-CD2 3.3Å; I1523-H1532 PolarHBondContact O-NE2 3.12Å; I1523-H1532 VanDerWaalsContact O-NE2 3.1Å; H1532-L1534 VanDerWaalsContact C-N 3.32Å; H1532-L1534 PolarHBondContact O-N 3.13Å; H1532-L1535 WeakPolarHBondContact O-CB 3.4Å; H1532-L1535 PolarHBondContact O-N 3.13Å; H1532-L1535 VanDerWaalsContact O-N 3.12Å; H1532-Y1536 PolarHBondContact O-N 3.15Å; H1532-Y1536 VanDerWaalsContact O-N 3.12Å; H1532-S1623 PolarHBondContact CE1-OG 3.05Å; H1532-S1623 VanDerWaalsContact CE1-OG 3.3Å; H1532-S1623 PolarHBondContact NE2-OG 3.26Å; H1532-M1624 HydrophobicContact CB-SD 3.89Å; H1532-M1624 PolarHBondContact CE1-N 3.19Å; H1532-M1624 WeakPolarHBondContact ND1-CB 3.41Å; H1532-M1624 PolarHBondContact ND1-SD 2.98Å; H1532-L1627 HydrophobicContact CB-CD1 4.26Å; H1532-L1627 HydrophobicContact CB-CD2 3.88Å | ||
| 1533 | L | 95 | Very high | 92 | Very high | 1.4 Ų | 1.4 | 28.9 Ų | 28.9 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -40.4 | -172.7 | -173.7 | 66.5 | 0 | 0 | 0 | 113.2 | L1428 F1429 C1432 F1513 I1523 L1535 Y1536 L1537 | L1428-L1533 HydrophobicContact CB-CD2 4.08Å; L1428-L1533 HydrophobicContact CD1-CD2 4.23Å; F1429-L1533 HydrophobicContact CD1-CD1 3.64Å; F1429-L1533 HydrophobicContact CE1-CB 4.15Å; F1429-L1533 HydrophobicContact CE1-CD1 3.59Å; F1429-L1533 HydrophobicContact CE1-CG 4.49Å; F1429-L1533 HydrophobicContact CG-CD1 4.17Å; F1429-L1533 HydrophobicContact CZ-CB 3.94Å; F1429-L1533 HydrophobicContact CZ-CD1 4.08Å; C1432-L1533 HydrophobicContact CB-CD1 4.47Å; F1513-L1533 HydrophobicContact CE2-CD2 4.07Å; F1513-L1533 HydrophobicContact CZ-CD2 4.14Å; I1523-L1533 HydrophobicContact CD1-CB 3.9Å; I1523-L1533 HydrophobicContact CD1-CD2 3.65Å; I1523-L1533 HydrophobicContact CD1-CG 4.39Å; L1533-L1535 VanDerWaalsContact C-N 3.34Å; L1533-L1535 PolarHBondContact O-N 3.06Å; L1533-Y1536 HydrophobicContact CD1-CD1 4.47Å; L1533-Y1536 PolarHBondContact O-N 3.36Å; L1533-L1537 HydrophobicContact CD1-CD1 4.4Å; L1533-L1537 HydrophobicContact CD1-CG 4.45Å; L1533-L1537 HydrophobicContact CD2-CD1 4.45Å; L1533-L1537 HydrophobicContact CG-CD1 3.96Å; L1533-L1537 HydrophobicContact CG-CG 4.4Å; L1533-L1537 WeakPolarHBondContact O-CB 3.33Å; L1533-L1537 VanDerWaalsContact O-CG 3.31Å; L1533-L1537 WeakPolarHBondContact O-CG 3.33Å; L1533-L1537 PolarHBondContact O-N 2.98Å |
| 1534 | L | 96.5 | Very high | 92.3 | Very high | 0.4 Ų | 0.4 | 29.2 Ų | 29.2 | 0% | 0.002 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -36.1 | 177.5 | -83 | 137.6 | 0 | 0 | 0 | 112.7 | I1523 H1532 L1537 A1538 F1611 A1614 L1615 A1620 M1624 F1665 | I1523-L1534 HydrophobicContact CD1-CD1 4.3Å; H1532-L1534 VanDerWaalsContact C-N 3.32Å; H1532-L1534 PolarHBondContact O-N 3.13Å; L1534-L1537 PolarHBondContact O-N 2.94Å; L1534-A1538 WeakPolarHBondContact O-CB 3.4Å; L1534-A1538 PolarHBondContact O-N 3.23Å; L1534-F1611 HydrophobicContact CB-CE2 4.38Å; L1534-F1611 HydrophobicContact CD2-CD2 3.68Å; L1534-F1611 HydrophobicContact CD2-CE2 3.65Å; L1534-F1611 HydrophobicContact CG-CE2 4.3Å; L1534-F1611 VanDerWaalsContact O-CE2 3.31Å; L1534-F1611 WeakPolarHBondContact O-CE2 3.45Å; L1534-A1614 HydrophobicContact CD1-CB 3.85Å; L1534-A1614 HydrophobicContact CD2-CB 3.44Å; L1534-A1614 VanDerWaalsContact CD2-CB 3.44Å; L1534-A1614 HydrophobicContact CG-CB 4.34Å; L1534-L1615 HydrophobicContact CD1-CD2 4.07Å; L1534-L1615 HydrophobicContact CD2-CD2 3.72Å; L1534-L1615 HydrophobicContact CD2-CG 3.97Å; L1534-L1615 HydrophobicContact CG-CD2 4.44Å; L1534-A1620 HydrophobicContact CD1-CB 4.21Å; L1534-A1620 VanDerWaalsContact CD1-O 3.31Å; L1534-A1620 WeakPolarHBondContact CD1-O 3.34Å; L1534-M1624 HydrophobicContact CB-CB 4.33Å; L1534-M1624 HydrophobicContact CB-CG 4.08Å; L1534-M1624 HydrophobicContact CB-SD 3.99Å; L1534-M1624 HydrophobicContact CD1-CB 3.82Å; L1534-M1624 HydrophobicContact CD1-CG 4.27Å; L1534-M1624 HydrophobicContact CD2-CB 3.84Å; L1534-M1624 HydrophobicContact CD2-CG 4.16Å; L1534-F1665 HydrophobicContact CB-CD2 4.37Å; L1534-F1665 HydrophobicContact CB-CE2 3.91Å; L1534-F1665 HydrophobicContact CB-CZ 4.44Å; L1534-F1665 HydrophobicContact CD2-CE2 4.48Å; L1534-F1665 HydrophobicContact CD2-CZ 4.2Å |
| 1535 | L | 95.4 | Very high | 92.6 | Very high | 0.4 Ų | 0.4 | 26.9 Ų | 26.9 | 0% | 0.002 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.8 | -43.9 | 175 | 177 | 60.5 | 0 | 0 | 0 | 111.3 | E1531 H1532 L1533 L1537 K1539 M1624 Q1661 D1664 F1665 | E1531-L1535 HydrophobicContact CB-CD2 4.32Å; E1531-L1535 HydrophobicContact CG-CD2 4.33Å; H1532-L1535 WeakPolarHBondContact O-CB 3.4Å; H1532-L1535 PolarHBondContact O-N 3.13Å; H1532-L1535 VanDerWaalsContact O-N 3.12Å; L1533-L1535 VanDerWaalsContact C-N 3.34Å; L1533-L1535 PolarHBondContact O-N 3.06Å; L1535-L1537 PolarHBondContact O-N 3.31Å; L1535-K1539 HydrophobicContact CD1-CD 4.34Å; L1535-K1539 HydrophobicContact CD1-CG 4.46Å; L1535-K1539 HydrophobicContact CG-CD 4.5Å; L1535-K1539 WeakPolarHBondContact O-CG 3.29Å; L1535-K1539 PolarHBondContact O-N 3.06Å; L1535-K1539 VanDerWaalsContact O-N 3.17Å; L1535-M1624 HydrophobicContact CB-SD 4.24Å; L1535-Q1661 HydrophobicContact CD2-CB 4.23Å; L1535-Q1661 HydrophobicContact CD2-CG 4.29Å; L1535-D1664 HydrophobicContact CD1-CB 4.11Å; L1535-D1664 HydrophobicContact CD2-CB 4.45Å; L1535-F1665 HydrophobicContact CB-CB 4.47Å; L1535-F1665 HydrophobicContact CD1-CB 4.02Å |
| 1536 | Y | 95.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 173.2 | 168.7 | -93.9 | 0 | 0 | 0 | 111.6 | F1429 C1432 Y1433 R1471 H1532 L1533 K1539 C1540 | F1429-Y1536 HydrophobicContact CE1-CG 4.48Å; C1432-Y1536 HydrophobicContact CB-CD1 4.38Å; C1432-Y1536 HydrophobicContact CB-CE1 3.81Å; C1432-Y1536 PolarHBondContact O-OH 3.06Å; Y1433-Y1536 HydrophobicContact CD1-CE1 4.14Å; Y1433-Y1536 AromaticContact CD1-CE2 3.89Å; Y1433-Y1536 HydrophobicContact CD1-CE2 4Å; Y1433-Y1536 AromaticContact CD1-CZ 3.62Å; Y1433-Y1536 WeakPolarHBondContact CD1-OH 3.37Å; Y1433-Y1536 HydrophobicContact CE1-CD1 4.43Å; Y1433-Y1536 AromaticContact CE1-CD2 3.98Å; Y1433-Y1536 HydrophobicContact CE1-CD2 4.06Å; Y1433-Y1536 AromaticContact CE1-CE1 3.99Å; Y1433-Y1536 HydrophobicContact CE1-CE1 4.13Å; Y1433-Y1536 AromaticContact CE1-CE2 3.58Å; Y1433-Y1536 HydrophobicContact CE1-CE2 3.58Å; Y1433-Y1536 VanDerWaalsContact CE1-CE2 3.47Å; Y1433-Y1536 HydrophobicContact CE1-CG 4.45Å; Y1433-Y1536 AromaticContact CE1-CZ 3.64Å; R1471-Y1536 VanDerWaalsContact NH1-CE2 3.3Å; R1471-Y1536 VanDerWaalsContact NH1-CZ 3.34Å; R1471-Y1536 PolarHBondContact NH1-OH 3.21Å; H1532-Y1536 PolarHBondContact O-N 3.15Å; H1532-Y1536 VanDerWaalsContact O-N 3.12Å; L1533-Y1536 HydrophobicContact CD1-CD1 4.47Å; L1533-Y1536 PolarHBondContact O-N 3.36Å; Y1536-K1539 PolarHBondContact O-N 3.04Å; Y1536-C1540 HydrophobicContact CE1-CB 4.15Å; Y1536-C1540 HydrophobicContact CE2-CB 4.5Å; Y1536-C1540 VanDerWaalsContact O-CB 3.28Å; Y1536-C1540 WeakPolarHBondContact O-CB 3.38Å; Y1536-C1540 PolarHBondContact O-N 3.08Å; Y1536-C1540 PolarHBondContact OH-SG 3.38Å |
| 1537 | L | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | -177.7 | -75.8 | 173.4 | 0 | 0 | 0 | 112.2 | C1432 F1513 L1533 L1534 L1535 K1539 C1540 M1541 A1607 A1610 F1611 A1614 | C1432-L1537 HydrophobicContact CB-CD2 4.09Å; F1513-L1537 HydrophobicContact CZ-CD1 4.35Å; L1533-L1537 HydrophobicContact CD1-CD1 4.4Å; L1533-L1537 HydrophobicContact CD1-CG 4.45Å; L1533-L1537 HydrophobicContact CD2-CD1 4.45Å; L1533-L1537 HydrophobicContact CG-CD1 3.96Å; L1533-L1537 HydrophobicContact CG-CG 4.4Å; L1533-L1537 WeakPolarHBondContact O-CB 3.33Å; L1533-L1537 VanDerWaalsContact O-CG 3.31Å; L1533-L1537 WeakPolarHBondContact O-CG 3.33Å; L1533-L1537 PolarHBondContact O-N 2.98Å; L1534-L1537 PolarHBondContact O-N 2.94Å; L1535-L1537 PolarHBondContact O-N 3.31Å; L1537-K1539 PolarHBondContact O-N 3.08Å; L1537-C1540 WeakPolarHBondContact O-CB 3.26Å; L1537-C1540 PolarHBondContact O-N 3.18Å; L1537-C1540 VanDerWaalsContact O-N 3.14Å; L1537-M1541 WeakPolarHBondContact O-CB 3.37Å; L1537-M1541 PolarHBondContact O-N 2.91Å; L1537-A1607 HydrophobicContact CD2-CB 4.38Å; L1537-A1610 HydrophobicContact CD1-CB 4.42Å; L1537-A1610 HydrophobicContact CD2-CB 4.28Å; L1537-F1611 HydrophobicContact CB-CB 4.01Å; L1537-F1611 HydrophobicContact CB-CD2 3.57Å; L1537-F1611 HydrophobicContact CB-CE2 4.32Å; L1537-F1611 HydrophobicContact CB-CG 4.01Å; L1537-F1611 HydrophobicContact CD1-CB 4.48Å; L1537-F1611 HydrophobicContact CD1-CD2 4.45Å; L1537-A1614 HydrophobicContact CD1-CB 4.24Å |
| 1538 | A | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.9 | -51.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1534 C1540 M1541 E1542 F1611 F1665 T1668 | L1534-A1538 WeakPolarHBondContact O-CB 3.4Å; L1534-A1538 PolarHBondContact O-N 3.23Å; A1538-C1540 VanDerWaalsContact C-N 3.29Å; A1538-C1540 PolarHBondContact O-N 2.91Å; A1538-M1541 PolarHBondContact O-N 2.97Å; A1538-E1542 WeakPolarHBondContact O-CB 3.38Å; A1538-E1542 PolarHBondContact O-N 3.1Å; A1538-F1611 HydrophobicContact CB-CE1 4.06Å; A1538-F1611 HydrophobicContact CB-CE2 4.01Å; A1538-F1611 HydrophobicContact CB-CZ 3.53Å; A1538-F1665 HydrophobicContact CB-CD2 4.32Å; A1538-F1665 HydrophobicContact CB-CE2 4.46Å; A1538-T1668 HydrophobicContact CB-CG2 3.79Å |
| 1539 | K | 94.8 | Very high | 93.8 | Very high | 52.2 Ų | 52.2 | 34.1 Ų | 34.1 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -30 | 176.9 | -69.8 | -176.6 | 176.3 | 179.9 | 0 | 113.1 | E1531 L1535 Y1536 L1537 R1543 D1664 T1668 | E1531-K1539 IonicContact OE1-NZ 3.13Å; E1531-K1539 PolarHBondContact OE1-NZ 3.3Å; L1535-K1539 HydrophobicContact CD1-CD 4.34Å; L1535-K1539 HydrophobicContact CD1-CG 4.46Å; L1535-K1539 HydrophobicContact CG-CD 4.5Å; L1535-K1539 WeakPolarHBondContact O-CG 3.29Å; L1535-K1539 PolarHBondContact O-N 3.06Å; L1535-K1539 VanDerWaalsContact O-N 3.17Å; Y1536-K1539 PolarHBondContact O-N 3.04Å; L1537-K1539 PolarHBondContact O-N 3.08Å; K1539-R1543 WeakPolarHBondContact O-CB 3.32Å; K1539-R1543 PolarHBondContact O-N 3.2Å; K1539-R1543 VanDerWaalsContact O-N 3.12Å; K1539-D1664 WeakPolarHBondContact CE-OD1 3.36Å; K1539-D1664 WeakPolarHBondContact CE-OD2 3.45Å; K1539-D1664 IonicContact NZ-OD1 3.11Å; K1539-D1664 PolarHBondContact NZ-OD1 3.18Å; K1539-D1664 IonicContact NZ-OD2 3.2Å; K1539-D1664 PolarHBondContact NZ-OD2 3.02Å; K1539-T1668 HydrophobicContact CG-CG2 4.25Å |
| 1540 | C | 96.1 | Very high | 94.1 | Very high | 0.8 Ų | 0.8 | 29.4 Ų | 29.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.2 | -44.9 | 178 | -159 | 0 | 0 | 0 | 0 | 111.8 | R1471 Y1536 L1537 A1538 E1542 R1543 Q1544 A1607 | R1471-C1540 PolarHBondContact NH1-SG 2.96Å; Y1536-C1540 HydrophobicContact CE1-CB 4.15Å; Y1536-C1540 HydrophobicContact CE2-CB 4.5Å; Y1536-C1540 VanDerWaalsContact O-CB 3.28Å; Y1536-C1540 WeakPolarHBondContact O-CB 3.38Å; Y1536-C1540 PolarHBondContact O-N 3.08Å; Y1536-C1540 PolarHBondContact OH-SG 3.38Å; L1537-C1540 WeakPolarHBondContact O-CB 3.26Å; L1537-C1540 PolarHBondContact O-N 3.18Å; L1537-C1540 VanDerWaalsContact O-N 3.14Å; A1538-C1540 VanDerWaalsContact C-N 3.29Å; A1538-C1540 PolarHBondContact O-N 2.91Å; C1540-E1542 VanDerWaalsContact C-N 3.34Å; C1540-E1542 PolarHBondContact O-N 3.03Å; C1540-R1543 PolarHBondContact O-N 2.98Å; C1540-R1543 PolarHBondContact SG-NH1 3.05Å; C1540-R1543 VanDerWaalsContact SG-NH1 3.4Å; C1540-R1543 PolarHBondContact SG-NH2 3.28Å; C1540-Q1544 WeakPolarHBondContact O-CB 3.39Å; C1540-Q1544 WeakPolarHBondContact O-CG 3.34Å; C1540-Q1544 PolarHBondContact O-N 3.11Å; C1540-A1607 HydrophobicContact CB-CB 4.36Å |
| 1541 | M | 95 | Very high | 94.3 | Very high | 3.6 Ų | 3.6 | 30 Ų | 30 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 174.6 | -177.4 | -173.7 | 67 | 0 | 0 | 111.8 | L1537 A1538 T1545 R1608 F1611 C1673 I1677 | L1537-M1541 WeakPolarHBondContact O-CB 3.37Å; L1537-M1541 PolarHBondContact O-N 2.91Å; A1538-M1541 PolarHBondContact O-N 2.97Å; M1541-T1545 WeakPolarHBondContact O-CB 3.36Å; M1541-T1545 PolarHBondContact O-N 3.18Å; M1541-T1545 PolarHBondContact O-OG1 3.11Å; M1541-R1608 HydrophobicContact CG-CB 4.09Å; M1541-R1608 HydrophobicContact CG-CG 4.41Å; M1541-R1608 HydrophobicContact SD-CB 4.09Å; M1541-R1608 HydrophobicContact SD-CG 3.84Å; M1541-F1611 HydrophobicContact CE-CD1 3.6Å; M1541-F1611 HydrophobicContact CE-CE1 3.68Å; M1541-F1611 HydrophobicContact SD-CD1 3.85Å; M1541-F1611 HydrophobicContact SD-CE1 4.48Å; M1541-C1673 HydrophobicContact CE-CB 3.68Å; M1541-C1673 WeakPolarHBondContact CE-SG 3.43Å; M1541-I1677 HydrophobicContact CE-CD1 3.58Å; M1541-I1677 HydrophobicContact CE-CG1 4.15Å; M1541-I1677 HydrophobicContact CE-CG2 4.4Å; M1541-I1677 HydrophobicContact SD-CD1 4.18Å; M1541-I1677 WeakPolarHBondContact SD-CD1 3.42Å; M1541-I1677 HydrophobicContact SD-CG1 4.36Å |
| 1542 | E | 94.5 | Very high | 94.1 | Very high | 35.6 Ų | 35.6 | 38.1 Ų | 38.1 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -54.8 | 174.1 | -174 | -83.9 | 163.2 | 0 | 0 | 111.4 | A1538 C1540 Q1544 T1545 R1546 T1668 K1672 | A1538-E1542 WeakPolarHBondContact O-CB 3.38Å; A1538-E1542 PolarHBondContact O-N 3.1Å; C1540-E1542 VanDerWaalsContact C-N 3.34Å; C1540-E1542 PolarHBondContact O-N 3.03Å; E1542-Q1544 PolarHBondContact O-N 2.95Å; E1542-T1545 PolarHBondContact O-N 3.01Å; E1542-T1545 VanDerWaalsContact O-N 3.15Å; E1542-R1546 PolarHBondContact O-N 3.25Å; E1542-R1546 VanDerWaalsContact O-N 3.09Å; E1542-R1546 IonicContact OE1-CZ 2.78Å; E1542-R1546 IonicContact OE1-NH1 2.81Å; E1542-R1546 PolarHBondContact OE1-NH1 3.05Å; E1542-R1546 IonicContact OE2-CZ 3.04Å; E1542-R1546 IonicContact OE2-NH1 3.4Å; E1542-R1546 PolarHBondContact OE2-NH1 3.02Å; E1542-R1546 IonicContact OE2-NH2 2.71Å; E1542-T1668 HydrophobicContact CB-CG2 4.48Å; E1542-K1672 HydrophobicContact CB-CB 4.44Å; E1542-K1672 HydrophobicContact CG-CB 3.65Å; E1542-K1672 HydrophobicContact CG-CD 4.01Å; E1542-K1672 HydrophobicContact CG-CG 4.29Å; E1542-K1672 WeakPolarHBondContact OE1-CD 3.29Å; E1542-K1672 IonicContact OE1-NZ 2.75Å; E1542-K1672 PolarHBondContact OE1-NZ 2.94Å |
| 1543 | R | 94.8 | Very high | 93.2 | Very high | 8.4 Ų | 8.4 | 42.4 Ų | 42.4 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 178.7 | -172.8 | -165.2 | 69.2 | -92.1 | 0.5 | 111.1 | D1450 E1468 R1471 K1539 C1540 T1545 R1546 E1547 | D1450-R1543 VanDerWaalsContact OD2-CD 3.27Å; D1450-R1543 WeakPolarHBondContact OD2-CD 3.38Å; E1468-R1543 IonicContact OE1-CZ 3.11Å; E1468-R1543 IonicContact OE1-NE 3.38Å; E1468-R1543 IonicContact OE1-NH2 3.12Å; E1468-R1543 PolarHBondContact OE1-NH2 3.19Å; R1471-R1543 VanDerWaalsContact NH1-NH2 3.13Å; K1539-R1543 WeakPolarHBondContact O-CB 3.32Å; K1539-R1543 PolarHBondContact O-N 3.2Å; K1539-R1543 VanDerWaalsContact O-N 3.12Å; C1540-R1543 PolarHBondContact O-N 2.98Å; C1540-R1543 PolarHBondContact SG-NH1 3.05Å; C1540-R1543 VanDerWaalsContact SG-NH1 3.4Å; C1540-R1543 PolarHBondContact SG-NH2 3.28Å; R1543-T1545 VanDerWaalsContact C-N 3.33Å; R1543-T1545 PolarHBondContact O-N 3.05Å; R1543-R1546 WeakPolarHBondContact O-CB 3.4Å; R1543-R1546 PolarHBondContact O-N 2.82Å; R1543-R1546 VanDerWaalsContact O-N 3.09Å; R1543-E1547 VanDerWaalsContact CD-OE1 3.31Å; R1543-E1547 WeakPolarHBondContact CD-OE1 3.37Å; R1543-E1547 WeakPolarHBondContact CD-OE2 3.32Å; R1543-E1547 VanDerWaalsContact CG-CD 3.48Å; R1543-E1547 HydrophobicContact CG-CG 4.28Å; R1543-E1547 VanDerWaalsContact CG-OE1 3.31Å; R1543-E1547 WeakPolarHBondContact CG-OE1 3.38Å; R1543-E1547 WeakPolarHBondContact CG-OE2 3.33Å; R1543-E1547 IonicContact CZ-OE2 2.74Å; R1543-E1547 IonicContact NE-OE1 2.84Å; R1543-E1547 IonicContact NE-OE2 3.21Å; R1543-E1547 PolarHBondContact NE-OE2 3.22Å; R1543-E1547 WeakPolarHBondContact O-CB 3.43Å; R1543-E1547 WeakPolarHBondContact O-CG 3.32Å; R1543-E1547 PolarHBondContact O-N 3.12Å |
| 1544 | Q | 95.2 | Very high | 91.9 | Very high | 7.6 Ų | 7.6 | 46.6 Ų | 46.6 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 178.4 | -75.6 | 177.2 | -9.9 | 0 | 0 | 111.5 | D1435 E1468 C1540 E1542 R1546 E1547 Q1548 | D1435-Q1544 PolarHBondContact OD2-NE2 3.03Å; E1468-Q1544 PolarHBondContact OE1-NE2 2.84Å; C1540-Q1544 WeakPolarHBondContact O-CB 3.39Å; C1540-Q1544 WeakPolarHBondContact O-CG 3.34Å; C1540-Q1544 PolarHBondContact O-N 3.11Å; E1542-Q1544 PolarHBondContact O-N 2.95Å; Q1544-R1546 VanDerWaalsContact C-N 3.27Å; Q1544-R1546 PolarHBondContact O-N 3.07Å; Q1544-E1547 PolarHBondContact O-N 3.19Å; Q1544-Q1548 WeakPolarHBondContact O-CB 3.39Å; Q1544-Q1548 WeakPolarHBondContact O-CG 3.41Å; Q1544-Q1548 PolarHBondContact O-N 3.08Å |
| 1545 | T | 93.6 | Very high | 90.2 | Very high | 45.8 Ų | 45.8 | 57.3 Ų | 57.3 | 28% | 0.281 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -29.8 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | M1541 E1542 R1543 R1549 | M1541-T1545 WeakPolarHBondContact O-CB 3.36Å; M1541-T1545 PolarHBondContact O-N 3.18Å; M1541-T1545 PolarHBondContact O-OG1 3.11Å; E1542-T1545 PolarHBondContact O-N 3.01Å; E1542-T1545 VanDerWaalsContact O-N 3.15Å; R1543-T1545 VanDerWaalsContact C-N 3.33Å; R1543-T1545 PolarHBondContact O-N 3.05Å; T1545-R1549 WeakPolarHBondContact O-CD 3.43Å; T1545-R1549 WeakPolarHBondContact O-CG 3.38Å; T1545-R1549 PolarHBondContact O-NE 2.95Å; T1545-R1549 VanDerWaalsContact O-NE 3.11Å |
| 1546 | R | 92.4 | Very high | 88.2 | Confident | 106.8 Ų | 106.8 | 67.4 Ų | 67.4 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -75 | -47.7 | 173.3 | -179.8 | 176.2 | 68.2 | -116.7 | 5.7 | 111.8 | D1450 E1542 R1543 Q1544 | D1450-R1546 IonicContact OD1-NH2 3.2Å; D1450-R1546 PolarHBondContact OD1-NH2 3.49Å; D1450-R1546 VanDerWaalsContact OD1-NH2 3.08Å; D1450-R1546 IonicContact OD2-NH2 3.41Å; D1450-R1546 PolarHBondContact OD2-NH2 3.09Å; E1542-R1546 PolarHBondContact O-N 3.25Å; E1542-R1546 VanDerWaalsContact O-N 3.09Å; E1542-R1546 IonicContact OE1-CZ 2.78Å; E1542-R1546 IonicContact OE1-NH1 2.81Å; E1542-R1546 PolarHBondContact OE1-NH1 3.05Å; E1542-R1546 IonicContact OE2-CZ 3.04Å; E1542-R1546 IonicContact OE2-NH1 3.4Å; E1542-R1546 PolarHBondContact OE2-NH1 3.02Å; E1542-R1546 IonicContact OE2-NH2 2.71Å; R1543-R1546 WeakPolarHBondContact O-CB 3.4Å; R1543-R1546 PolarHBondContact O-N 2.82Å; R1543-R1546 VanDerWaalsContact O-N 3.09Å; Q1544-R1546 VanDerWaalsContact C-N 3.27Å; Q1544-R1546 PolarHBondContact O-N 3.07Å |
| 1547 | E | 94.1 | Very high | 85.6 | Confident | 3.2 Ų | 3.2 | 77.3 Ų | 77.3 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70 | -50.3 | -175.6 | -70.7 | 171.1 | 161.8 | 0 | 0 | 111.6 | W1441 Q1449 D1450 R1543 Q1544 R1549 Q1550 | W1441-E1547 HydrophobicContact CH2-CB 4.27Å; Q1449-E1547 VanDerWaalsContact CA-OE1 3.26Å; Q1449-E1547 WeakPolarHBondContact CA-OE1 3.41Å; Q1449-E1547 HydrophobicContact CB-CG 3.94Å; Q1449-E1547 VanDerWaalsContact CB-OE1 3.3Å; Q1449-E1547 WeakPolarHBondContact CB-OE1 3.38Å; D1450-E1547 PolarHBondContact N-OE1 3.29Å; D1450-E1547 VanDerWaalsContact N-OE1 3.12Å; R1543-E1547 VanDerWaalsContact CD-OE1 3.31Å; R1543-E1547 WeakPolarHBondContact CD-OE1 3.37Å; R1543-E1547 WeakPolarHBondContact CD-OE2 3.32Å; R1543-E1547 VanDerWaalsContact CG-CD 3.48Å; R1543-E1547 HydrophobicContact CG-CG 4.28Å; R1543-E1547 VanDerWaalsContact CG-OE1 3.31Å; R1543-E1547 WeakPolarHBondContact CG-OE1 3.38Å; R1543-E1547 WeakPolarHBondContact CG-OE2 3.33Å; R1543-E1547 IonicContact CZ-OE2 2.74Å; R1543-E1547 IonicContact NE-OE1 2.84Å; R1543-E1547 IonicContact NE-OE2 3.21Å; R1543-E1547 PolarHBondContact NE-OE2 3.22Å; R1543-E1547 WeakPolarHBondContact O-CB 3.43Å; R1543-E1547 WeakPolarHBondContact O-CG 3.32Å; R1543-E1547 PolarHBondContact O-N 3.12Å; Q1544-E1547 PolarHBondContact O-N 3.19Å; E1547-R1549 PolarHBondContact O-N 3.11Å; E1547-R1549 VanDerWaalsContact O-N 3.17Å; E1547-Q1550 WeakPolarHBondContact O-CB 3.39Å; E1547-Q1550 PolarHBondContact O-N 3.05Å; E1547-Q1550 PolarHBondContact O-NE2 3.17Å; E1547-Q1550 VanDerWaalsContact O-NE2 3.12Å |
| 1548 | Q | 94.2 | Very high | 82.9 | Confident | 41.2 Ų | 41.2 | 85.3 Ų | 85.3 | 19% | 0.193 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -67.7 | -17 | -174.4 | -63.6 | 177.7 | 4.2 | 0 | 0 | 113.9 | W1441 Q1544 Q1550 H1551 P1603 P1604 | W1441-Q1548 HydrophobicContact CH2-CG 4.13Å; W1441-Q1548 HydrophobicContact CZ2-CG 4.2Å; W1441-Q1548 HydrophobicContact CZ3-CG 4.48Å; Q1544-Q1548 WeakPolarHBondContact O-CB 3.39Å; Q1544-Q1548 WeakPolarHBondContact O-CG 3.41Å; Q1544-Q1548 PolarHBondContact O-N 3.08Å; Q1548-Q1550 PolarHBondContact O-N 2.94Å; Q1548-Q1550 VanDerWaalsContact O-N 3.13Å; Q1548-H1551 VanDerWaalsContact O-CB 3.28Å; Q1548-H1551 WeakPolarHBondContact O-CB 3.34Å; Q1548-H1551 PolarHBondContact O-N 3.18Å; Q1548-P1603 HydrophobicContact CB-CB 4.36Å; Q1548-P1603 VanDerWaalsContact CD-CB 3.44Å; Q1548-P1603 HydrophobicContact CG-CB 3.61Å; Q1548-P1603 HydrophobicContact CG-CG 4.29Å; Q1548-P1604 PolarHBondContact NE2-O 3.25Å |
| 1549 | R | 92.8 | Very high | 80 | Confident | 204.4 Ų | 204.4 | 89.8 Ų | 89.8 | 77% | 0.771 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -61.8 | -13.2 | 169.2 | -77 | 169.5 | -167.5 | -141.2 | 2.7 | 113.5 | T1545 E1547 | T1545-R1549 WeakPolarHBondContact O-CD 3.43Å; T1545-R1549 WeakPolarHBondContact O-CG 3.38Å; T1545-R1549 PolarHBondContact O-NE 2.95Å; T1545-R1549 VanDerWaalsContact O-NE 3.11Å; E1547-R1549 PolarHBondContact O-N 3.11Å; E1547-R1549 VanDerWaalsContact O-N 3.17Å |
| 1550 | Q | 92.2 | Very high | 77.3 | Confident | 53.6 Ų | 53.6 | 92.6 Ų | 92.6 | 25% | 0.25 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -96.4 | -9.2 | 175.2 | -62 | 164.2 | 110.2 | 0 | 0 | 113.1 | I1447 R1448 E1547 Q1548 R1552 | I1447-Q1550 HydrophobicContact CB-CB 4.4Å; I1447-Q1550 HydrophobicContact CG2-CB 4.14Å; R1448-Q1550 VanDerWaalsContact CB-OE1 3.29Å; R1448-Q1550 VanDerWaalsContact N-OE1 3.12Å; R1448-Q1550 PolarHBondContact O-NE2 3.25Å; E1547-Q1550 WeakPolarHBondContact O-CB 3.39Å; E1547-Q1550 PolarHBondContact O-N 3.05Å; E1547-Q1550 PolarHBondContact O-NE2 3.17Å; E1547-Q1550 VanDerWaalsContact O-NE2 3.12Å; Q1548-Q1550 PolarHBondContact O-N 2.94Å; Q1548-Q1550 VanDerWaalsContact O-N 3.13Å; Q1550-R1552 PolarHBondContact O-N 3.35Å |
| 1551 | H | 90.5 | Very high | 74.4 | Confident | 38.6 Ų | 38.6 | 97.2 Ų | 97.2 | 18% | 0.179 | 47% | 0.465 | C | S | . | . | trans | -59.8 | 128.8 | 175.5 | 174 | -166.4 | 0 | 0 | 0 | 110 | W1441 Q1548 P1553 E1602 P1603 | W1441-H1551 HydrophobicContact CE3-CB 3.91Å; W1441-H1551 AromaticContact CE3-ND1 3.8Å; W1441-H1551 HydrophobicContact CZ3-CB 3.98Å; W1441-H1551 PolarHBondContact O-CD2 2.82Å; W1441-H1551 PolarHBondContact O-CE1 2.99Å; W1441-H1551 PolarHBondContact O-ND1 2.69Å; Q1548-H1551 VanDerWaalsContact O-CB 3.28Å; Q1548-H1551 WeakPolarHBondContact O-CB 3.34Å; Q1548-H1551 PolarHBondContact O-N 3.18Å; H1551-P1553 WeakPolarHBondContact NE2-CA 3.29Å; H1551-P1553 WeakPolarHBondContact O-CD 3.37Å; H1551-E1602 IonicContact CE1-OE1 3.02Å; H1551-E1602 PolarHBondContact CE1-OE1 3.16Å; H1551-E1602 VanDerWaalsContact CE1-OE1 3.31Å; H1551-E1602 IonicContact CE1-OE2 2.86Å; H1551-E1602 PolarHBondContact CE1-OE2 3.46Å; H1551-P1603 HydrophobicContact CB-CG 3.96Å | ||
| 1552 | R | 84.3 | Confident | 71.6 | Confident | 188.4 Ų | 188.4 | 102.9 Ų | 102.9 | 71% | 0.711 | 50% | 0.501 | S | S | * | . | trans | -105.8 | 108.3 | 169.8 | -67.3 | -177.7 | 179.3 | 115.7 | 1.9 | 107.5 | D1445 Q1550 S1554 | D1445-R1552 IonicContact OD2-NH1 3.1Å; D1445-R1552 PolarHBondContact OD2-NH1 3.21Å; Q1550-R1552 PolarHBondContact O-N 3.35Å; R1552-S1554 PolarHBondContact O-N 3.11Å | ||
| 1553 | P | 76.6 | Confident | 68.9 | Low | 89.4 Ų | 89.4 | 107.7 Ų | 107.7 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | trans | -51 | 129.5 | 176.2 | -28.3 | 35.3 | 0 | 0 | 0 | 110.5 | H1551 R1555 | H1551-P1553 WeakPolarHBondContact NE2-CA 3.29Å; H1551-P1553 WeakPolarHBondContact O-CD 3.37Å; P1553-R1555 PolarHBondContact O-N 3.3Å | ||
| 1554 | S | 67.2 | Low | 66.3 | Low | 90.6 Ų | 90.6 | 118.3 Ų | 118.3 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | trans | -57.5 | 96.9 | -171.5 | -175.9 | 0 | 0 | 0 | 0 | 111 | R1552 R1556 D1600 | R1552-S1554 PolarHBondContact O-N 3.11Å; S1554-R1556 VanDerWaalsContact C-N 3.25Å; S1554-R1556 PolarHBondContact O-N 2.87Å; S1554-D1600 WeakPolarHBondContact CB-OD1 3.37Å; S1554-D1600 PolarHBondContact OG-OD1 2.92Å | ||
| 1555 | R | 60.5 | Low | 63.3 | Low | 225.2 Ų | 225.2 | 124.6 Ų | 124.6 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | -77.2 | 76.5 | -174.4 | -170 | -172.2 | -67 | -130.9 | 3.1 | 108.7 | P1553 R1557 | P1553-R1555 PolarHBondContact O-N 3.3Å; R1555-R1557 PolarHBondContact O-N 3.07Å | ||
| 1556 | R | 53.5 | Low | 60.6 | Low | 212.4 Ų | 212.4 | 130.1 Ų | 130.1 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | trans | -40.1 | 109.6 | 176.9 | -96.9 | -172.4 | -105.6 | -173.2 | -5.5 | 109.6 | S1554 L1558 | S1554-R1556 VanDerWaalsContact C-N 3.25Å; S1554-R1556 PolarHBondContact O-N 2.87Å; R1556-L1558 VanDerWaalsContact C-N 3.3Å; R1556-L1558 WeakPolarHBondContact O-CD1 3.43Å; R1556-L1558 PolarHBondContact O-N 3.02Å; R1556-L1558 VanDerWaalsContact O-N 3.12Å | ||
| 1557 | R | 41.8 | Very low | 57.9 | Low | 215.2 Ų | 215.2 | 129.4 Ų | 129.4 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | trans | -72.3 | 94.9 | -175.3 | -142.3 | -171.3 | -166.8 | -158.9 | 5.7 | 108.3 | R1555 T1559 | R1555-R1557 PolarHBondContact O-N 3.07Å; R1557-T1559 WeakPolarHBondContact CD-OG1 3.45Å; R1557-T1559 HydrophobicContact CG-CG2 4.37Å; R1557-T1559 WeakPolarHBondContact CG-OG1 3.39Å; R1557-T1559 PolarHBondContact O-N 3.19Å; R1557-T1559 PolarHBondContact O-OG1 3.36Å | ||
| 1558 | L | 40.6 | Very low | 55.2 | Low | 167.6 Ų | 167.6 | 136.6 Ų | 136.6 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | trans | -71.1 | 48.8 | 177.5 | -77.6 | 139.8 | 0 | 0 | 0 | 111.9 | R1556 S1560 | R1556-L1558 VanDerWaalsContact C-N 3.3Å; R1556-L1558 WeakPolarHBondContact O-CD1 3.43Å; R1556-L1558 PolarHBondContact O-N 3.02Å; R1556-L1558 VanDerWaalsContact O-N 3.12Å; L1558-S1560 VanDerWaalsContact C-N 3.28Å; L1558-S1560 PolarHBondContact O-N 3.06Å | ||
| 1559 | T | 35.9 | Very low | 52.4 | Low | 95 Ų | 95 | 140.2 Ų | 140.2 | 58% | 0.583 | 72% | 0.718 | S | S | * | * | trans | -126.1 | 53.1 | -179 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | R1557 | R1557-T1559 WeakPolarHBondContact CD-OG1 3.45Å; R1557-T1559 HydrophobicContact CG-CG2 4.37Å; R1557-T1559 WeakPolarHBondContact CG-OG1 3.39Å; R1557-T1559 PolarHBondContact O-N 3.19Å; R1557-T1559 PolarHBondContact O-OG1 3.36Å | ||
| 1560 | S | 36.9 | Very low | 49.7 | Very low | 110.4 Ų | 110.4 | 138 Ų | 138 | 77% | 0.772 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -150.8 | 44.9 | 159.6 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | L1558 T1562 | L1558-S1560 VanDerWaalsContact C-N 3.28Å; L1558-S1560 PolarHBondContact O-N 3.06Å; S1560-T1562 PolarHBondContact O-N 2.65Å |
| 1561 | A | 35.7 | Very low | 47.2 | Very low | 97.2 Ų | 97.2 | 141.1 Ų | 141.1 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | -97.3 | 60.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1562 | T | 36.6 | Very low | 44.7 | Very low | 124.2 Ų | 124.2 | 144.9 Ų | 144.9 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 56.8 | 176.4 | -43.7 | 0 | 0 | 0 | 0 | 112.3 | S1560 R1564 | S1560-T1562 PolarHBondContact O-N 2.65Å; T1562-R1564 PolarHBondContact O-N 2.81Å | ||
| 1563 | T | 37.5 | Very low | 42.2 | Very low | 136.4 Ų | 136.4 | 142 Ų | 142 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | trans | -116.2 | 98.2 | 159 | 25.7 | 0 | 0 | 0 | 0 | 110.6 | T1565 | T1563-T1565 PolarHBondContact O-N 3.34Š| ||
| 1564 | R | 39.1 | Very low | 40.3 | Very low | 232 Ų | 232 | 143.8 Ų | 143.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -27.4 | 116.3 | 161.8 | -63.6 | 172.3 | 88.5 | 173.8 | 2.3 | 112.9 | T1562 N1566 | T1562-R1564 PolarHBondContact O-N 2.81Å; R1564-N1566 PolarHBondContact O-N 3.02Å | ||
| 1565 | T | 34 | Very low | 38.7 | Very low | 138.8 Ų | 138.8 | 145 Ų | 145 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -18.9 | 128.6 | 151.4 | 48.3 | 0 | 0 | 0 | 0 | 115 | T1563 | T1563-T1565 PolarHBondContact O-N 3.34Š| ||
| 1566 | N | 35.7 | Very low | 37.4 | Very low | 160.8 Ų | 160.8 | 138.8 Ų | 138.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -148.3 | 134.9 | 148.9 | -145.8 | 6.6 | 0 | 0 | 0 | 111 | R1564 | R1564-N1566 PolarHBondContact O-N 3.02Š| ||
| 1567 | S | 35.9 | Very low | 36.5 | Very low | 93.8 Ų | 93.8 | 133.4 Ų | 133.4 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -98.3 | 134.1 | -174.3 | 56.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1568 | N | 37.9 | Very low | 36.1 | Very low | 153.4 Ų | 153.4 | 128.4 Ų | 128.4 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | 149.5 | 144.5 | 144.3 | -88.5 | -9.3 | 0 | 0 | 0 | 116.1 | ||||
| 1569 | C | 35 | Very low | 35.7 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 84.8 | 108.8 | 152.2 | -52.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1570 | N | 35.6 | Very low | 35.3 | Very low | 158.8 Ų | 158.8 | 128.1 Ų | 128.1 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | trans | -8.5 | 148.7 | 149 | -64.1 | -10.2 | 0 | 0 | 0 | 118.1 | ||||
| 1571 | P | 40.8 | Very low | 35 | Very low | 117.4 Ų | 117.4 | 128.3 Ų | 128.3 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 176.3 | -173.7 | 38.3 | -33.9 | 0 | 0 | 0 | 112.4 | ||||
| 1572 | P | 36.9 | Very low | 34.7 | Very low | 119.2 Ų | 119.2 | 129.7 Ų | 129.7 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | -137.7 | 166.2 | 97.1 | 38.5 | -21.7 | 0 | 0 | 0 | 115.7 | |||||
| 1573 | V | 33.2 | Very low | 34.4 | Very low | 127.8 Ų | 127.8 | 135.7 Ų | 135.7 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -9.5 | 148.9 | 168.5 | -101.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1574 | T | 36 | Very low | 33.9 | Very low | 126.2 Ų | 126.2 | 136.8 Ų | 136.8 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | 96.3 | 115.9 | 152 | 48.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1575 | S | 34.4 | Very low | 33.6 | Very low | 115.2 Ų | 115.2 | 131.3 Ų | 131.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | 88.2 | 122.9 | 126.2 | -47.7 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1576 | A | 32.8 | Very low | 33.4 | Very low | 96.2 Ų | 96.2 | 131.6 Ų | 131.6 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -77.9 | 150.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1577 | S | 35 | Very low | 33.1 | Very low | 99.4 Ų | 99.4 | 131.5 Ų | 131.5 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | 156.3 | 113.6 | 118 | 38.1 | 0 | 0 | 0 | 0 | 114.6 | T1579 | S1577-T1579 PolarHBondContact O-N 2.86Å; S1577-T1579 PolarHBondContact O-OG1 3.15Å | |||
| 1578 | S | 32.5 | Very low | 32.7 | Very low | 109.6 Ų | 109.6 | 130.8 Ų | 130.8 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | 44.5 | 110.3 | 130.6 | 63.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1579 | T | 31.4 | Very low | 32.3 | Very low | 130.6 Ų | 130.6 | 128.2 Ų | 128.2 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | -120.2 | 140.4 | 86 | 16 | 0 | 0 | 0 | 0 | 113.5 | S1577 | S1577-T1579 PolarHBondContact O-N 2.86Å; S1577-T1579 PolarHBondContact O-OG1 3.15Å | |||
| 1580 | T | 29.4 | Very low | 32.1 | Very low | 126.4 Ų | 126.4 | 131 Ų | 131 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 1.3 | 114.2 | 164.7 | 51.8 | 0 | 0 | 0 | 0 | 116.9 | N1582 | T1580-N1582 PolarHBondContact O-N 3.12Š| ||
| 1581 | S | 30.5 | Very low | 31.9 | Very low | 113.6 Ų | 113.6 | 131.1 Ų | 131.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -127.6 | 123.2 | 142.4 | 47.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1582 | N | 28.3 | Very low | 31.9 | Very low | 127.4 Ų | 127.4 | 133.2 Ų | 133.2 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | trans | -90.7 | 113 | 177.2 | -156.2 | 45.2 | 0 | 0 | 0 | 112.6 | T1580 E1584 | T1580-N1582 PolarHBondContact O-N 3.12Å; N1582-E1584 PolarHBondContact ND2-OE2 2.88Å; N1582-E1584 VanDerWaalsContact ND2-OE2 3.12Å; N1582-E1584 PolarHBondContact O-N 3.06Å; N1582-E1584 VanDerWaalsContact O-N 3.12Å | ||
| 1583 | W | 29.7 | Very low | 32.3 | Very low | 249 Ų | 249 | 130.2 Ų | 130.2 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -111 | 95 | 164.9 | -81 | 70.2 | 0 | 0 | 0 | 109.7 | P1585 | W1583-P1585 WeakPolarHBondContact O-CD 3.27Š| ||
| 1584 | E | 27.5 | Very low | 33.6 | Very low | 159.4 Ų | 159.4 | 127.7 Ų | 127.7 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | -99.4 | 137.4 | 163 | -83.9 | -178.1 | 122 | 0 | 0 | 110.1 | N1582 N1586 | N1582-E1584 PolarHBondContact ND2-OE2 2.88Å; N1582-E1584 VanDerWaalsContact ND2-OE2 3.12Å; N1582-E1584 PolarHBondContact O-N 3.06Å; N1582-E1584 VanDerWaalsContact O-N 3.12Å; E1584-N1586 PolarHBondContact O-N 3.35Å | ||
| 1585 | P | 32.9 | Very low | 35.6 | Very low | 117.8 Ų | 117.8 | 128.5 Ų | 128.5 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -108.2 | 111.9 | 156.6 | 34.4 | -29.6 | 0 | 0 | 0 | 113 | W1583 N1587 | W1583-P1585 WeakPolarHBondContact O-CD 3.27Å; P1585-N1587 PolarHBondContact O-N 2.99Å | ||
| 1586 | N | 29.6 | Very low | 38.1 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 138.8 | 158.8 | -125.6 | -25.8 | 0 | 0 | 0 | 114.5 | E1584 G1588 | E1584-N1586 PolarHBondContact O-N 3.35Å; N1586-G1588 VanDerWaalsContact C-N 3.33Å; N1586-G1588 PolarHBondContact O-N 3.09Å; N1586-G1588 VanDerWaalsContact O-N 3.08Å | ||
| 1587 | N | 29.1 | Very low | 40.8 | Very low | 157.4 Ų | 157.4 | 124.2 Ų | 124.2 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | trans | 26.6 | 91.9 | 163.3 | -69.5 | -42.9 | 0 | 0 | 0 | 117 | P1585 | P1585-N1587 PolarHBondContact O-N 2.99Š| ||
| 1588 | G | 28.8 | Very low | 43.1 | Very low | 80.8 Ų | 80.8 | 123 Ų | 123 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | trans | -162.6 | 75.6 | 136 | 0 | 0 | 0 | 0 | 0 | 113 | N1586 Q1590 | N1586-G1588 VanDerWaalsContact C-N 3.33Å; N1586-G1588 PolarHBondContact O-N 3.09Å; N1586-G1588 VanDerWaalsContact O-N 3.08Å; G1588-Q1590 PolarHBondContact O-N 3.2Å | ||
| 1589 | A | 29.9 | Very low | 45.8 | Very low | 97.2 Ų | 97.2 | 121.5 Ų | 121.5 | 80% | 0.803 | 69% | 0.685 | S | S | * | * | trans | -103.2 | 142 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1590 | Q | 30.8 | Very low | 48.5 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | trans | -97.7 | 106.6 | -178.8 | -58.9 | 172.7 | -10.2 | 0 | 0 | 113.8 | G1588 L1592 | G1588-Q1590 PolarHBondContact O-N 3.2Å; Q1590-L1592 HydrophobicContact CB-CD1 4.03Å | ||
| 1591 | N | 30.4 | Very low | 51.3 | Low | 160.8 Ų | 160.8 | 116.8 Ų | 116.8 | 86% | 0.86 | 65% | 0.65 | S | S | * | * | trans | -160 | 94.6 | 148.6 | -88.9 | -7.8 | 0 | 0 | 0 | 111 | G1593 | N1591-G1593 VanDerWaalsContact C-N 3.29Å; N1591-G1593 PolarHBondContact O-N 3.17Å; N1591-G1593 VanDerWaalsContact O-N 3.12Å | ||
| 1592 | L | 39.9 | Very low | 54.2 | Low | 160.2 Ų | 160.2 | 116.2 Ų | 116.2 | 84% | 0.839 | 64% | 0.635 | S | S | * | * | trans | -89.7 | 63 | 172.9 | -84.5 | 80.6 | 0 | 0 | 0 | 110.5 | S1269 A1270 Q1590 | S1269-L1592 WeakPolarHBondContact OG-CD2 3.5Å; A1270-L1592 HydrophobicContact CB-CD2 4.39Å; Q1590-L1592 HydrophobicContact CB-CD1 4.03Å | ||
| 1593 | G | 45.3 | Very low | 57.3 | Low | 56.2 Ų | 56.2 | 110.3 Ų | 110.3 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 157.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1591 E1595 | N1591-G1593 VanDerWaalsContact C-N 3.29Å; N1591-G1593 PolarHBondContact O-N 3.17Å; N1591-G1593 VanDerWaalsContact O-N 3.12Å; G1593-E1595 PolarHBondContact O-N 3.16Å |
| 1594 | P | 61.9 | Low | 60.4 | Low | 76.8 Ų | 76.8 | 99.2 Ų | 99.2 | 50% | 0.499 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 143 | 162.2 | 28.3 | -32.5 | 0 | 0 | 0 | 109.8 | W1493 | W1493-P1594 HydrophobicContact CE3-CB 4.32Å; W1493-P1594 HydrophobicContact CE3-CG 4.29Å; W1493-P1594 HydrophobicContact CZ3-CB 4.05Å; W1493-P1594 HydrophobicContact CZ3-CG 3.9Å |
| 1595 | E | 76.9 | Confident | 63.5 | Low | 142.6 Ų | 142.6 | 97.2 Ų | 97.2 | 67% | 0.666 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 132.1 | 178 | -170.5 | 173.4 | 179.6 | 0 | 0 | 109.9 | S1264 R1267 G1593 | S1264-E1595 WeakPolarHBondContact CB-OE2 3.41Å; S1264-E1595 PolarHBondContact OG-OE2 3.36Å; R1267-E1595 WeakPolarHBondContact CD-OE2 3.48Å; R1267-E1595 IonicContact CZ-OE1 3.57Å; R1267-E1595 IonicContact CZ-OE2 3.68Å; R1267-E1595 IonicContact NE-OE2 3.16Å; R1267-E1595 IonicContact NH1-OE1 2.74Å; R1267-E1595 PolarHBondContact NH1-OE1 3.16Å; R1267-E1595 IonicContact NH1-OE2 3.26Å; R1267-E1595 PolarHBondContact NH1-OE2 3.12Å; R1267-E1595 IonicContact NH2-OE2 3.26Å; R1267-E1595 PolarHBondContact NH2-OE2 3.22Å; G1593-E1595 PolarHBondContact O-N 3.16Å |
| 1596 | E | 87.5 | Confident | 66.5 | Low | 99.6 Ų | 99.6 | 91.8 Ų | 91.8 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 130.6 | -176.5 | -167 | -174.4 | 140.7 | 0 | 0 | 111.1 | F1439 W1493 H1599 | F1439-E1596 HydrophobicContact CE1-CG 4.11Å; F1439-E1596 HydrophobicContact CZ-CG 3.86Å; W1493-E1596 HydrophobicContact CH2-CB 4.18Å; W1493-E1596 HydrophobicContact CH2-CG 4.14Å; W1493-E1596 HydrophobicContact CZ2-CG 4.04Å; E1596-H1599 IonicContact OE1-CE1 3.16Å; E1596-H1599 PolarHBondContact OE1-CE1 3.22Å; E1596-H1599 IonicContact OE1-ND1 3.02Å; E1596-H1599 PolarHBondContact OE1-ND1 3.4Å; E1596-H1599 VanDerWaalsContact OE1-ND1 3.14Å |
| 1597 | P | 89.1 | Confident | 69.6 | Low | 21.4 Ų | 21.4 | 84.8 Ų | 84.8 | 14% | 0.139 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 150 | -178.9 | -24.7 | 33.8 | 0 | 0 | 0 | 114.9 | F1439 W1493 L1501 H1599 | F1439-P1597 HydrophobicContact CD1-CB 4.28Å; F1439-P1597 HydrophobicContact CD1-CG 4.39Å; F1439-P1597 HydrophobicContact CE1-CB 4.2Å; F1439-P1597 HydrophobicContact CE1-CG 4.24Å; W1493-P1597 HydrophobicContact CB-CG 3.9Å; W1493-P1597 VanDerWaalsContact CD2-CD 3.42Å; W1493-P1597 HydrophobicContact CD2-CG 3.7Å; W1493-P1597 VanDerWaalsContact CE3-CD 3.47Å; W1493-P1597 HydrophobicContact CE3-CG 4.03Å; W1493-P1597 HydrophobicContact CG-CG 3.63Å; L1501-P1597 HydrophobicContact CD1-CB 4.02Å; L1501-P1597 HydrophobicContact CD1-CG 3.78Å; L1501-P1597 HydrophobicContact CD2-CB 3.86Å; L1501-P1597 HydrophobicContact CD2-CG 4.05Å; L1501-P1597 HydrophobicContact CG-CB 4.47Å; P1597-H1599 PolarHBondContact O-N 3.02Å; P1597-H1599 VanDerWaalsContact O-N 3.11Å; P1597-H1599 PolarHBondContact O-ND1 3.27Å |
| 1598 | D | 84.5 | Confident | 72.8 | Confident | 73.6 Ų | 73.6 | 82.5 Ų | 82.5 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 117 | 166.5 | -68.6 | -38 | 0 | 0 | 0 | 110.1 | K1205 | K1205-D1598 IonicContact NZ-OD1 3.19Å; K1205-D1598 PolarHBondContact NZ-OD1 3.2Å; K1205-D1598 IonicContact NZ-OD2 3.49Å; K1205-D1598 PolarHBondContact NZ-OD2 3.15Å |
| 1599 | H | 88.5 | Confident | 75.9 | Confident | 79 Ų | 79 | 81 Ų | 81 | 37% | 0.366 | 43% | 0.429 | S | S | . | . | trans | -120.9 | 26 | -177.5 | 61.8 | -108.1 | 0 | 0 | 0 | 114.1 | F1439 T1440 E1596 P1597 L1601 | F1439-H1599 HydrophobicContact CD1-CB 4.35Å; F1439-H1599 HydrophobicContact CE1-CB 4.2Å; F1439-H1599 VanDerWaalsContact O-CB 3.26Å; F1439-H1599 WeakPolarHBondContact O-CB 3.34Å; T1440-H1599 CarbonylContact C-O 3.54Å; T1440-H1599 CarbonylContact O-C 3.48Å; T1440-H1599 WeakPolarHBondContact O-CA 3.38Å; E1596-H1599 IonicContact OE1-CE1 3.16Å; E1596-H1599 PolarHBondContact OE1-CE1 3.22Å; E1596-H1599 IonicContact OE1-ND1 3.02Å; E1596-H1599 PolarHBondContact OE1-ND1 3.4Å; E1596-H1599 VanDerWaalsContact OE1-ND1 3.14Å; P1597-H1599 PolarHBondContact O-N 3.02Å; P1597-H1599 VanDerWaalsContact O-N 3.11Å; P1597-H1599 PolarHBondContact O-ND1 3.27Å; H1599-L1601 VanDerWaalsContact C-N 3.32Å; H1599-L1601 PolarHBondContact O-N 3.22Å | ||
| 1600 | D | 87.1 | Confident | 79.1 | Confident | 114.8 Ų | 114.8 | 76.4 Ų | 76.4 | 61% | 0.614 | 39% | 0.39 | S | S | * | . | trans | -96.4 | 14.8 | 178.9 | 65.2 | -32.2 | 0 | 0 | 0 | 114.1 | S1554 | S1554-D1600 WeakPolarHBondContact CB-OD1 3.37Å; S1554-D1600 PolarHBondContact OG-OD1 2.92Å | ||
| 1601 | L | 89 | Confident | 82.3 | Confident | 42.6 Ų | 42.6 | 67.9 Ų | 67.9 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 149.1 | 179.5 | -53.8 | -170.2 | 0 | 0 | 0 | 111.9 | N1204 T1436 T1440 W1441 H1599 | N1204-L1601 HydrophobicContact CB-CD2 4.23Å; T1436-L1601 HydrophobicContact CG2-CD1 4.24Å; T1440-L1601 HydrophobicContact CG2-CD1 4.29Å; T1440-L1601 WeakPolarHBondContact O-CA 3.4Å; T1440-L1601 VanDerWaalsContact O-CB 3.22Å; T1440-L1601 WeakPolarHBondContact O-CB 3.35Å; T1440-L1601 PolarHBondContact O-N 3.16Å; W1441-L1601 WeakPolarHBondContact CA-O 3.47Å; W1441-L1601 WeakPolarHBondContact CB-O 3.18Å; H1599-L1601 VanDerWaalsContact C-N 3.32Å; H1599-L1601 PolarHBondContact O-N 3.22Å |
| 1602 | E | 90.7 | Very high | 85.4 | Confident | 101.6 Ų | 101.6 | 63.2 Ų | 63.2 | 48% | 0.475 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 144.6 | 165 | -118.6 | -34.3 | 156 | 0 | 0 | 110.6 | H1551 R1605 | H1551-E1602 IonicContact CE1-OE1 3.02Å; H1551-E1602 PolarHBondContact CE1-OE1 3.16Å; H1551-E1602 VanDerWaalsContact CE1-OE1 3.31Å; H1551-E1602 IonicContact CE1-OE2 2.86Å; H1551-E1602 PolarHBondContact CE1-OE2 3.46Å; E1602-R1605 VanDerWaalsContact CG-NH2 3.31Å; E1602-R1605 IonicContact OE1-CZ 3.3Å; E1602-R1605 IonicContact OE1-NE 3.8Å; E1602-R1605 PolarHBondContact OE1-NE 3.29Å; E1602-R1605 IonicContact OE1-NH1 3.96Å; E1602-R1605 PolarHBondContact OE1-NH1 3.44Å; E1602-R1605 IonicContact OE1-NH2 3.49Å; E1602-R1605 PolarHBondContact OE1-NH2 3.12Å; E1602-R1605 IonicContact OE2-CZ 3.13Å; E1602-R1605 IonicContact OE2-NE 3.08Å; E1602-R1605 IonicContact OE2-NH1 3.22Å; E1602-R1605 PolarHBondContact OE2-NH1 3.37Å; E1602-R1605 IonicContact OE2-NH2 3.34Å; E1602-R1605 PolarHBondContact OE2-NH2 3.05Å |
| 1603 | P | 94.1 | Very high | 88 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 149.1 | 177.7 | -22.5 | 31 | 0 | 0 | 0 | 113.6 | W1441 Q1548 H1551 R1605 | W1441-P1603 HydrophobicContact CB-CB 4.42Å; W1441-P1603 HydrophobicContact CB-CG 3.96Å; W1441-P1603 HydrophobicContact CD2-CB 3.81Å; W1441-P1603 HydrophobicContact CD2-CG 3.7Å; W1441-P1603 HydrophobicContact CE3-CB 4.23Å; W1441-P1603 HydrophobicContact CE3-CG 3.73Å; W1441-P1603 HydrophobicContact CG-CB 3.9Å; W1441-P1603 HydrophobicContact CG-CG 3.83Å; W1441-P1603 HydrophobicContact CZ3-CG 4.4Å; Q1548-P1603 HydrophobicContact CB-CB 4.36Å; Q1548-P1603 VanDerWaalsContact CD-CB 3.44Å; Q1548-P1603 HydrophobicContact CG-CB 3.61Å; Q1548-P1603 HydrophobicContact CG-CG 4.29Å; H1551-P1603 HydrophobicContact CB-CG 3.96Å; P1603-R1605 WeakPolarHBondContact O-CG 3.41Å; P1603-R1605 PolarHBondContact O-N 3.29Å; P1603-R1605 PolarHBondContact O-NH1 3.4Å |
| 1604 | P | 94.6 | Very high | 90.4 | Very high | 14.4 Ų | 14.4 | 55.6 Ų | 55.6 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 134.4 | -173.8 | 25.6 | -34 | 0 | 0 | 0 | 112.3 | D1435 Q1548 | D1435-P1604 HydrophobicContact CB-CB 3.91Å; D1435-P1604 HydrophobicContact CB-CG 4.13Å; Q1548-P1604 PolarHBondContact NE2-O 3.25Å |
| 1605 | R | 93.9 | Very high | 92 | Very high | 119 Ų | 119 | 51.9 Ų | 51.9 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | trans | -112.5 | -13.9 | -179.1 | -51.6 | -167.8 | -170.9 | -71.9 | 5.1 | 114.1 | E1602 P1603 A1607 R1608 D1609 | E1602-R1605 VanDerWaalsContact CG-NH2 3.31Å; E1602-R1605 IonicContact OE1-CZ 3.3Å; E1602-R1605 IonicContact OE1-NE 3.8Å; E1602-R1605 PolarHBondContact OE1-NE 3.29Å; E1602-R1605 IonicContact OE1-NH1 3.96Å; E1602-R1605 PolarHBondContact OE1-NH1 3.44Å; E1602-R1605 IonicContact OE1-NH2 3.49Å; E1602-R1605 PolarHBondContact OE1-NH2 3.12Å; E1602-R1605 IonicContact OE2-CZ 3.13Å; E1602-R1605 IonicContact OE2-NE 3.08Å; E1602-R1605 IonicContact OE2-NH1 3.22Å; E1602-R1605 PolarHBondContact OE2-NH1 3.37Å; E1602-R1605 IonicContact OE2-NH2 3.34Å; E1602-R1605 PolarHBondContact OE2-NH2 3.05Å; P1603-R1605 WeakPolarHBondContact O-CG 3.41Å; P1603-R1605 PolarHBondContact O-N 3.29Å; P1603-R1605 PolarHBondContact O-NH1 3.4Å; R1605-A1607 VanDerWaalsContact C-N 3.3Å; R1605-A1607 PolarHBondContact O-N 3.28Å; R1605-A1607 VanDerWaalsContact O-N 3.1Å; R1605-R1608 WeakPolarHBondContact O-CB 3.44Å; R1605-R1608 PolarHBondContact O-N 3.25Å; R1605-D1609 PolarHBondContact O-N 3.09Å | ||
| 1606 | F | 96 | Very high | 92.8 | Very high | 2.8 Ų | 2.8 | 48.6 Ų | 48.6 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.3 | -38.5 | -173.1 | 176.3 | -91.8 | 0 | 0 | 0 | 113.8 | L1431 C1432 R1509 H1510 F1513 R1608 D1609 A1610 | L1431-F1606 HydrophobicContact CB-CZ 4.39Å; L1431-F1606 VanDerWaalsContact O-CE1 3.28Å; L1431-F1606 WeakPolarHBondContact O-CE1 3.33Å; C1432-F1606 HydrophobicContact CB-CE1 4.45Å; R1509-F1606 HydrophobicContact CB-CD2 4.41Å; R1509-F1606 HydrophobicContact CB-CE2 4.23Å; R1509-F1606 HydrophobicContact CG-CD2 3.92Å; R1509-F1606 HydrophobicContact CG-CE2 3.57Å; R1509-F1606 HydrophobicContact CG-CZ 4.05Å; R1509-F1606 VanDerWaalsContact NH1-CB 3.25Å; H1510-F1606 AromaticContact CD2-CD2 3.68Å; H1510-F1606 AromaticContact CD2-CE2 3.93Å; H1510-F1606 AromaticContact CE1-CD2 3.7Å; H1510-F1606 AromaticContact NE2-CD2 3.43Å; H1510-F1606 WeakPolarHBondContact NE2-CD2 3.35Å; F1513-F1606 HydrophobicContact CB-CE2 4.4Å; F1513-F1606 HydrophobicContact CB-CZ 4.03Å; F1513-F1606 HydrophobicContact CD2-CZ 4.14Å; F1513-F1606 HydrophobicContact CG-CZ 4.09Å; F1606-R1608 VanDerWaalsContact C-N 3.29Å; F1606-R1608 PolarHBondContact O-N 3.26Å; F1606-D1609 PolarHBondContact O-N 3.01Å; F1606-A1610 HydrophobicContact CD1-CB 4.22Å; F1606-A1610 HydrophobicContact CE1-CB 3.85Å; F1606-A1610 HydrophobicContact CE2-CB 4.47Å; F1606-A1610 HydrophobicContact CZ-CB 4.01Å; F1606-A1610 WeakPolarHBondContact O-CB 3.4Å; F1606-A1610 PolarHBondContact O-N 3.08Å |
| 1607 | A | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -32.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L1537 C1540 R1605 F1611 | L1537-A1607 HydrophobicContact CD2-CB 4.38Å; C1540-A1607 HydrophobicContact CB-CB 4.36Å; R1605-A1607 VanDerWaalsContact C-N 3.3Å; R1605-A1607 PolarHBondContact O-N 3.28Å; R1605-A1607 VanDerWaalsContact O-N 3.1Å; A1607-F1611 WeakPolarHBondContact O-CB 3.31Å; A1607-F1611 PolarHBondContact O-N 3.06Å; A1607-F1611 VanDerWaalsContact O-N 3.11Å |
| 1608 | R | 95 | Very high | 93.2 | Very high | 107.8 Ų | 107.8 | 44 Ų | 44 | 41% | 0.407 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.2 | -52.6 | 170.9 | 175.8 | -171.5 | 128.8 | -167.6 | -5.9 | 110.6 | M1541 R1605 F1606 A1610 F1611 E1612 | M1541-R1608 HydrophobicContact CG-CB 4.09Å; M1541-R1608 HydrophobicContact CG-CG 4.41Å; M1541-R1608 HydrophobicContact SD-CB 4.09Å; M1541-R1608 HydrophobicContact SD-CG 3.84Å; R1605-R1608 WeakPolarHBondContact O-CB 3.44Å; R1605-R1608 PolarHBondContact O-N 3.25Å; F1606-R1608 VanDerWaalsContact C-N 3.29Å; F1606-R1608 PolarHBondContact O-N 3.26Å; R1608-A1610 VanDerWaalsContact C-N 3.27Å; R1608-A1610 PolarHBondContact O-N 3.16Å; R1608-F1611 WeakPolarHBondContact O-CA 3.38Å; R1608-F1611 VanDerWaalsContact O-CB 3.32Å; R1608-F1611 WeakPolarHBondContact O-CB 3.41Å; R1608-F1611 PolarHBondContact O-N 3.18Å; R1608-E1612 WeakPolarHBondContact CD-OE1 3.42Å; R1608-E1612 WeakPolarHBondContact CG-OE1 3.36Å; R1608-E1612 IonicContact CZ-OE1 2.99Å; R1608-E1612 IonicContact NE-OE1 3.14Å; R1608-E1612 PolarHBondContact NE-OE1 3.29Å; R1608-E1612 IonicContact NH2-OE1 3.25Å; R1608-E1612 PolarHBondContact NH2-OE1 2.72Å; R1608-E1612 IonicContact NH2-OE2 3.83Å; R1608-E1612 PolarHBondContact O-N 3.19Å |
| 1609 | D | 95.3 | Very high | 93.5 | Very high | 49.6 Ų | 49.6 | 40.9 Ų | 40.9 | 27% | 0.265 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -36.6 | -174.9 | -58.9 | -23.3 | 0 | 0 | 0 | 111.2 | H1510 R1605 F1606 L1613 | H1510-D1609 IonicContact CE1-OD2 2.62Å; H1510-D1609 WeakPolarHBondContact NE2-CB 3.44Å; H1510-D1609 IonicContact NE2-OD2 3.04Å; H1510-D1609 PolarHBondContact NE2-OD2 3.25Å; R1605-D1609 PolarHBondContact O-N 3.09Å; F1606-D1609 PolarHBondContact O-N 3.01Å; D1609-L1613 WeakPolarHBondContact O-CB 3.43Å; D1609-L1613 WeakPolarHBondContact O-CD1 3.29Å; D1609-L1613 VanDerWaalsContact O-CG 3.27Å; D1609-L1613 WeakPolarHBondContact O-CG 3.39Å; D1609-L1613 PolarHBondContact O-N 3.11Å; D1609-L1613 VanDerWaalsContact O-N 3.12Å |
| 1610 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.5 | -32.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1513 L1537 F1606 R1608 A1614 | F1513-A1610 HydrophobicContact CD1-CB 4.08Å; F1513-A1610 HydrophobicContact CE1-CB 3.73Å; F1513-A1610 VanDerWaalsContact CE1-O 3.31Å; F1513-A1610 WeakPolarHBondContact CE1-O 3.41Å; F1513-A1610 HydrophobicContact CE2-CB 4.28Å; F1513-A1610 HydrophobicContact CG-CB 4.4Å; F1513-A1610 HydrophobicContact CZ-CB 3.85Å; L1537-A1610 HydrophobicContact CD1-CB 4.42Å; L1537-A1610 HydrophobicContact CD2-CB 4.28Å; F1606-A1610 HydrophobicContact CD1-CB 4.22Å; F1606-A1610 HydrophobicContact CE1-CB 3.85Å; F1606-A1610 HydrophobicContact CE2-CB 4.47Å; F1606-A1610 HydrophobicContact CZ-CB 4.01Å; F1606-A1610 WeakPolarHBondContact O-CB 3.4Å; F1606-A1610 PolarHBondContact O-N 3.08Å; R1608-A1610 VanDerWaalsContact C-N 3.27Å; R1608-A1610 PolarHBondContact O-N 3.16Å; A1610-A1614 VanDerWaalsContact O-CB 3.22Å; A1610-A1614 WeakPolarHBondContact O-CB 3.36Å; A1610-A1614 PolarHBondContact O-N 3.11Å |
| 1611 | F | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.5 | -44.5 | 175.2 | -168.3 | -139.2 | 0 | 0 | 0 | 111.5 | L1534 L1537 A1538 M1541 A1607 R1608 L1613 A1614 L1615 F1665 L1669 I1677 | L1534-F1611 HydrophobicContact CB-CE2 4.38Å; L1534-F1611 HydrophobicContact CD2-CD2 3.68Å; L1534-F1611 HydrophobicContact CD2-CE2 3.65Å; L1534-F1611 HydrophobicContact CG-CE2 4.3Å; L1534-F1611 VanDerWaalsContact O-CE2 3.31Å; L1534-F1611 WeakPolarHBondContact O-CE2 3.45Å; L1537-F1611 HydrophobicContact CB-CB 4.01Å; L1537-F1611 HydrophobicContact CB-CD2 3.57Å; L1537-F1611 HydrophobicContact CB-CE2 4.32Å; L1537-F1611 HydrophobicContact CB-CG 4.01Å; L1537-F1611 HydrophobicContact CD1-CB 4.48Å; L1537-F1611 HydrophobicContact CD1-CD2 4.45Å; A1538-F1611 HydrophobicContact CB-CE1 4.06Å; A1538-F1611 HydrophobicContact CB-CE2 4.01Å; A1538-F1611 HydrophobicContact CB-CZ 3.53Å; M1541-F1611 HydrophobicContact CE-CD1 3.6Å; M1541-F1611 HydrophobicContact CE-CE1 3.68Å; M1541-F1611 HydrophobicContact SD-CD1 3.85Å; M1541-F1611 HydrophobicContact SD-CE1 4.48Å; A1607-F1611 WeakPolarHBondContact O-CB 3.31Å; A1607-F1611 PolarHBondContact O-N 3.06Å; A1607-F1611 VanDerWaalsContact O-N 3.11Å; R1608-F1611 WeakPolarHBondContact O-CA 3.38Å; R1608-F1611 VanDerWaalsContact O-CB 3.32Å; R1608-F1611 WeakPolarHBondContact O-CB 3.41Å; R1608-F1611 PolarHBondContact O-N 3.18Å; F1611-L1613 VanDerWaalsContact C-N 3.33Å; F1611-L1613 PolarHBondContact O-N 3.29Å; F1611-A1614 PolarHBondContact O-N 3.22Å; F1611-A1614 VanDerWaalsContact O-N 3.15Å; F1611-L1615 HydrophobicContact CD1-CD1 4.16Å; F1611-L1615 HydrophobicContact CD2-CD1 4.21Å; F1611-L1615 HydrophobicContact CD2-CG 4.24Å; F1611-L1615 HydrophobicContact CE1-CD1 3.94Å; F1611-L1615 HydrophobicContact CE2-CD1 3.98Å; F1611-L1615 HydrophobicContact CE2-CD2 4.19Å; F1611-L1615 HydrophobicContact CE2-CG 4.1Å; F1611-L1615 HydrophobicContact CG-CD1 4.29Å; F1611-L1615 HydrophobicContact CZ-CD1 3.83Å; F1611-L1615 HydrophobicContact CZ-CD2 4.29Å; F1611-L1615 HydrophobicContact CZ-CG 4.42Å; F1611-L1615 VanDerWaalsContact O-CG 3.31Å; F1611-L1615 WeakPolarHBondContact O-CG 3.4Å; F1611-L1615 PolarHBondContact O-N 2.92Å; F1611-F1665 AromaticContact CE2-CE2 3.96Å; F1611-F1665 HydrophobicContact CE2-CE2 3.96Å; F1611-F1665 AromaticContact CZ-CE2 3.94Å; F1611-F1665 HydrophobicContact CZ-CE2 3.94Å; F1611-L1669 HydrophobicContact CE1-CD1 4.44Å; F1611-L1669 HydrophobicContact CZ-CD1 4.43Å; F1611-I1677 HydrophobicContact CD1-CG2 3.72Å; F1611-I1677 HydrophobicContact CE1-CG2 3.5Å; F1611-I1677 VanDerWaalsContact CE1-CG2 3.48Å; F1611-I1677 HydrophobicContact CZ-CG2 4.4Å |
| 1612 | E | 96 | Very high | 94.4 | Very high | 61 Ų | 61 | 31.3 Ų | 31.3 | 29% | 0.285 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 174 | -66.8 | -177.4 | -161.4 | 0 | 0 | 111.2 | R1608 A1614 L1615 D1616 I1677 I1680 | R1608-E1612 WeakPolarHBondContact CD-OE1 3.42Å; R1608-E1612 WeakPolarHBondContact CG-OE1 3.36Å; R1608-E1612 IonicContact CZ-OE1 2.99Å; R1608-E1612 IonicContact NE-OE1 3.14Å; R1608-E1612 PolarHBondContact NE-OE1 3.29Å; R1608-E1612 IonicContact NH2-OE1 3.25Å; R1608-E1612 PolarHBondContact NH2-OE1 2.72Å; R1608-E1612 IonicContact NH2-OE2 3.83Å; R1608-E1612 PolarHBondContact O-N 3.19Å; E1612-A1614 VanDerWaalsContact C-N 3.34Å; E1612-A1614 PolarHBondContact O-N 2.97Å; E1612-L1615 PolarHBondContact O-N 3.16Å; E1612-D1616 PolarHBondContact O-N 3.01Å; E1612-D1616 VanDerWaalsContact O-N 3.1Å; E1612-I1677 HydrophobicContact CG-CD1 3.7Å; E1612-I1677 WeakPolarHBondContact OE1-CD1 3.41Å; E1612-I1680 HydrophobicContact CB-CD1 3.89Å; E1612-I1680 HydrophobicContact CG-CD1 3.69Å |
| 1613 | L | 94.5 | Very high | 94.4 | Very high | 56.2 Ų | 56.2 | 26.7 Ų | 26.7 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 174.7 | -72.3 | 169.9 | 0 | 0 | 0 | 113.4 | F1513 Y1514 D1609 F1611 D1616 C1617 | F1513-L1613 HydrophobicContact CD1-CD1 4.44Å; F1513-L1613 HydrophobicContact CE1-CB 4.35Å; Y1514-L1613 HydrophobicContact CD2-CD2 4.36Å; D1609-L1613 WeakPolarHBondContact O-CB 3.43Å; D1609-L1613 WeakPolarHBondContact O-CD1 3.29Å; D1609-L1613 VanDerWaalsContact O-CG 3.27Å; D1609-L1613 WeakPolarHBondContact O-CG 3.39Å; D1609-L1613 PolarHBondContact O-N 3.11Å; D1609-L1613 VanDerWaalsContact O-N 3.12Å; F1611-L1613 VanDerWaalsContact C-N 3.33Å; F1611-L1613 PolarHBondContact O-N 3.29Å; L1613-D1616 PolarHBondContact O-N 2.85Å; L1613-C1617 PolarHBondContact O-N 3.03Å |
| 1614 | A | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.6 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1517 L1534 L1537 A1610 F1611 E1612 C1617 A1620 | L1517-A1614 HydrophobicContact CD2-CB 4.42Å; L1534-A1614 HydrophobicContact CD1-CB 3.85Å; L1534-A1614 HydrophobicContact CD2-CB 3.44Å; L1534-A1614 VanDerWaalsContact CD2-CB 3.44Å; L1534-A1614 HydrophobicContact CG-CB 4.34Å; L1537-A1614 HydrophobicContact CD1-CB 4.24Å; A1610-A1614 VanDerWaalsContact O-CB 3.22Å; A1610-A1614 WeakPolarHBondContact O-CB 3.36Å; A1610-A1614 PolarHBondContact O-N 3.11Å; F1611-A1614 PolarHBondContact O-N 3.22Å; F1611-A1614 VanDerWaalsContact O-N 3.15Å; E1612-A1614 VanDerWaalsContact C-N 3.34Å; E1612-A1614 PolarHBondContact O-N 2.97Å; A1614-C1617 WeakPolarHBondContact O-CB 3.34Å; A1614-C1617 PolarHBondContact O-N 3.18Å; A1614-C1617 VanDerWaalsContact O-N 3.16Å; A1614-A1620 WeakPolarHBondContact O-CB 3.38Å |
| 1615 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -78.1 | -23.2 | 175.8 | -66.2 | 172.3 | 0 | 0 | 0 | 113.4 | L1534 F1611 E1612 C1617 V1621 F1665 I1677 I1680 L1681 T1684 | L1534-L1615 HydrophobicContact CD1-CD2 4.07Å; L1534-L1615 HydrophobicContact CD2-CD2 3.72Å; L1534-L1615 HydrophobicContact CD2-CG 3.97Å; L1534-L1615 HydrophobicContact CG-CD2 4.44Å; F1611-L1615 HydrophobicContact CD1-CD1 4.16Å; F1611-L1615 HydrophobicContact CD2-CD1 4.21Å; F1611-L1615 HydrophobicContact CD2-CG 4.24Å; F1611-L1615 HydrophobicContact CE1-CD1 3.94Å; F1611-L1615 HydrophobicContact CE2-CD1 3.98Å; F1611-L1615 HydrophobicContact CE2-CD2 4.19Å; F1611-L1615 HydrophobicContact CE2-CG 4.1Å; F1611-L1615 HydrophobicContact CG-CD1 4.29Å; F1611-L1615 HydrophobicContact CZ-CD1 3.83Å; F1611-L1615 HydrophobicContact CZ-CD2 4.29Å; F1611-L1615 HydrophobicContact CZ-CG 4.42Å; F1611-L1615 VanDerWaalsContact O-CG 3.31Å; F1611-L1615 WeakPolarHBondContact O-CG 3.4Å; F1611-L1615 PolarHBondContact O-N 2.92Å; E1612-L1615 PolarHBondContact O-N 3.16Å; L1615-C1617 VanDerWaalsContact C-N 3.29Å; L1615-V1621 HydrophobicContact CD2-CG2 4.45Å; L1615-V1621 VanDerWaalsContact O-CG2 3.31Å; L1615-V1621 WeakPolarHBondContact O-CG2 3.33Å; L1615-F1665 HydrophobicContact CD2-CZ 4.1Å; L1615-I1677 HydrophobicContact CD1-CG2 3.38Å; L1615-I1677 VanDerWaalsContact CD1-CG2 3.4Å; L1615-I1680 HydrophobicContact CB-CB 4.27Å; L1615-I1680 HydrophobicContact CB-CG2 3.68Å; L1615-L1681 HydrophobicContact CD2-CB 4.31Å; L1615-L1681 HydrophobicContact CD2-CD1 4.07Å; L1615-T1684 VanDerWaalsContact O-CB 3.31Å; L1615-T1684 WeakPolarHBondContact O-CB 3.37Å; L1615-T1684 PolarHBondContact O-OG1 3.11Å |
| 1616 | D | 93.8 | Very high | 94.2 | Very high | 73.4 Ų | 73.4 | 22.1 Ų | 22.1 | 39% | 0.393 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -75.7 | -15.2 | 168.1 | -166.8 | 28.3 | 0 | 0 | 0 | 112.6 | E1612 L1613 P1618 I1680 T1684 R1687 | E1612-D1616 PolarHBondContact O-N 3.01Å; E1612-D1616 VanDerWaalsContact O-N 3.1Å; L1613-D1616 PolarHBondContact O-N 2.85Å; D1616-P1618 VanDerWaalsContact O-CD 3.31Å; D1616-P1618 WeakPolarHBondContact O-CD 3.37Å; D1616-I1680 HydrophobicContact CB-CG2 4.42Å; D1616-T1684 WeakPolarHBondContact CA-OG1 3.41Å; D1616-R1687 PolarHBondContact O-NH2 3.26Å; D1616-R1687 IonicContact OD1-CZ 3.11Å; D1616-R1687 IonicContact OD1-NH1 3.02Å; D1616-R1687 PolarHBondContact OD1-NH1 2.94Å; D1616-R1687 IonicContact OD1-NH2 3.27Å; D1616-R1687 PolarHBondContact OD1-NH2 3.21Å |
| 1617 | C | 92.7 | Very high | 93.6 | Very high | 14.4 Ų | 14.4 | 22.8 Ų | 22.8 | 10% | 0.097 | 12% | 0.115 | C | C | . | . | trans | -86.7 | 115.4 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | L1517 L1613 A1614 L1615 A1619 A1620 V1621 | L1517-C1617 HydrophobicContact CD2-CB 3.8Å; L1517-C1617 HydrophobicContact CG-CB 4.14Å; L1613-C1617 PolarHBondContact O-N 3.03Å; A1614-C1617 WeakPolarHBondContact O-CB 3.34Å; A1614-C1617 PolarHBondContact O-N 3.18Å; A1614-C1617 VanDerWaalsContact O-N 3.16Å; L1615-C1617 VanDerWaalsContact C-N 3.29Å; C1617-A1619 VanDerWaalsContact C-N 3.34Å; C1617-A1619 PolarHBondContact O-N 3.25Å; C1617-A1620 HydrophobicContact CB-CB 3.93Å; C1617-A1620 PolarHBondContact O-N 3.13Å; C1617-V1621 PolarHBondContact O-N 3.09Å; C1617-V1621 VanDerWaalsContact O-N 3.1Å | ||
| 1618 | P | 92.3 | Very high | 92.5 | Very high | 10.6 Ų | 10.6 | 24.6 Ų | 24.6 | 7% | 0.069 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | -177.7 | -26.1 | 37.3 | 0 | 0 | 0 | 114 | D1616 A1620 V1621 H1622 T1684 C1688 Y1724 P1725 M1730 | D1616-P1618 VanDerWaalsContact O-CD 3.31Å; D1616-P1618 WeakPolarHBondContact O-CD 3.37Å; P1618-A1620 VanDerWaalsContact C-N 3.33Å; P1618-A1620 PolarHBondContact O-N 2.98Å; P1618-V1621 PolarHBondContact O-N 3.13Å; P1618-H1622 VanDerWaalsContact O-CB 3.27Å; P1618-H1622 WeakPolarHBondContact O-CB 3.34Å; P1618-H1622 PolarHBondContact O-N 3.07Å; P1618-T1684 HydrophobicContact CB-CG2 4.44Å; P1618-T1684 HydrophobicContact CG-CG2 4.27Å; P1618-C1688 VanDerWaalsContact CG-SG 3.55Å; P1618-C1688 WeakPolarHBondContact CG-SG 3.41Å; P1618-Y1724 HydrophobicContact CB-CD1 4.34Å; P1618-Y1724 HydrophobicContact CB-CE1 4.26Å; P1618-Y1724 WeakPolarHBondContact CD-OH 3.42Å; P1618-Y1724 HydrophobicContact CG-CD1 4.31Å; P1618-Y1724 HydrophobicContact CG-CE1 3.99Å; P1618-P1725 HydrophobicContact CB-CG 4.25Å; P1618-M1730 HydrophobicContact CB-CE 4.4Å |
| 1619 | A | 91.1 | Very high | 91.2 | Very high | 8.6 Ų | 8.6 | 22.2 Ų | 22.2 | 7% | 0.071 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1617 H1622 S1623 | C1617-A1619 VanDerWaalsContact C-N 3.34Å; C1617-A1619 PolarHBondContact O-N 3.25Å; A1619-H1622 PolarHBondContact O-N 3.2Å; A1619-S1623 WeakPolarHBondContact O-CB 3.43Å; A1619-S1623 PolarHBondContact O-N 2.96Å; A1619-S1623 PolarHBondContact O-OG 3.12Å; A1619-S1623 VanDerWaalsContact O-OG 3.1Å |
| 1620 | A | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.8 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1517 I1523 L1534 A1614 C1617 P1618 S1623 M1624 | L1517-A1620 HydrophobicContact CD1-CB 4.05Å; I1523-A1620 HydrophobicContact CD1-CB 3.93Å; I1523-A1620 HydrophobicContact CG1-CB 3.68Å; L1534-A1620 HydrophobicContact CD1-CB 4.21Å; L1534-A1620 VanDerWaalsContact CD1-O 3.31Å; L1534-A1620 WeakPolarHBondContact CD1-O 3.34Å; A1614-A1620 WeakPolarHBondContact O-CB 3.38Å; C1617-A1620 HydrophobicContact CB-CB 3.93Å; C1617-A1620 PolarHBondContact O-N 3.13Å; P1618-A1620 VanDerWaalsContact C-N 3.33Å; P1618-A1620 PolarHBondContact O-N 2.98Å; A1620-S1623 WeakPolarHBondContact CA-OG 3.37Å; A1620-S1623 PolarHBondContact O-OG 3.08Å; A1620-S1623 VanDerWaalsContact O-OG 3.1Å; A1620-M1624 PolarHBondContact O-N 3.08Å; A1620-M1624 VanDerWaalsContact O-N 3.11Å |
| 1621 | V | 94.6 | Very high | 86.9 | Confident | 0.8 Ų | 0.8 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 171.8 | 172.4 | 0 | 0 | 0 | 0 | 110 | L1615 C1617 P1618 S1623 M1624 L1625 L1681 T1684 L1685 M1730 | L1615-V1621 HydrophobicContact CD2-CG2 4.45Å; L1615-V1621 VanDerWaalsContact O-CG2 3.31Å; L1615-V1621 WeakPolarHBondContact O-CG2 3.33Å; C1617-V1621 PolarHBondContact O-N 3.09Å; C1617-V1621 VanDerWaalsContact O-N 3.1Å; P1618-V1621 PolarHBondContact O-N 3.13Å; V1621-S1623 PolarHBondContact O-N 3.21Å; V1621-M1624 PolarHBondContact O-N 3.08Å; V1621-L1625 HydrophobicContact CG1-CD1 3.69Å; V1621-L1625 HydrophobicContact CG1-CG 4.3Å; V1621-L1625 WeakPolarHBondContact O-CB 3.33Å; V1621-L1625 VanDerWaalsContact O-CG 3.27Å; V1621-L1625 WeakPolarHBondContact O-CG 3.41Å; V1621-L1625 PolarHBondContact O-N 3.01Å; V1621-L1625 VanDerWaalsContact O-N 3.08Å; V1621-L1681 HydrophobicContact CB-CD1 4.26Å; V1621-L1681 HydrophobicContact CG1-CD1 3.88Å; V1621-L1681 HydrophobicContact CG1-CG 4.47Å; V1621-L1681 HydrophobicContact CG2-CD1 3.7Å; V1621-T1684 HydrophobicContact CB-CG2 4.44Å; V1621-T1684 HydrophobicContact CG2-CG2 4.04Å; V1621-L1685 HydrophobicContact CG1-CD2 3.73Å; V1621-L1685 HydrophobicContact CG1-CG 4.33Å; V1621-M1730 HydrophobicContact CG1-CE 4.42Å |
| 1622 | H | 93.9 | Very high | 84.3 | Confident | 32.4 Ų | 32.4 | 33.1 Ų | 33.1 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 177.6 | -175.4 | -98.5 | 0 | 0 | 0 | 112.5 | P1618 A1619 M1624 L1625 T1626 P1725 M1730 | P1618-H1622 VanDerWaalsContact O-CB 3.27Å; P1618-H1622 WeakPolarHBondContact O-CB 3.34Å; P1618-H1622 PolarHBondContact O-N 3.07Å; A1619-H1622 PolarHBondContact O-N 3.2Å; H1622-M1624 VanDerWaalsContact C-N 3.32Å; H1622-M1624 PolarHBondContact O-N 3.17Å; H1622-L1625 PolarHBondContact O-N 3.31Å; H1622-T1626 WeakPolarHBondContact NE2-CG2 3.32Å; H1622-T1626 WeakPolarHBondContact O-CB 3.32Å; H1622-T1626 PolarHBondContact O-N 3.01Å; H1622-T1626 PolarHBondContact O-OG1 3.21Å; H1622-T1626 VanDerWaalsContact O-OG1 3.13Å; H1622-P1725 HydrophobicContact CB-CB 3.97Å; H1622-P1725 HydrophobicContact CB-CG 3.79Å; H1622-M1730 HydrophobicContact CB-SD 3.86Å |
| 1623 | S | 92.4 | Very high | 81.8 | Confident | 5.2 Ų | 5.2 | 33.5 Ų | 33.5 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -30.2 | -179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | H1532 A1619 A1620 V1621 L1627 | H1532-S1623 PolarHBondContact CE1-OG 3.05Å; H1532-S1623 VanDerWaalsContact CE1-OG 3.3Å; H1532-S1623 PolarHBondContact NE2-OG 3.26Å; A1619-S1623 WeakPolarHBondContact O-CB 3.43Å; A1619-S1623 PolarHBondContact O-N 2.96Å; A1619-S1623 PolarHBondContact O-OG 3.12Å; A1619-S1623 VanDerWaalsContact O-OG 3.1Å; A1620-S1623 WeakPolarHBondContact CA-OG 3.37Å; A1620-S1623 PolarHBondContact O-OG 3.08Å; A1620-S1623 VanDerWaalsContact O-OG 3.1Å; V1621-S1623 PolarHBondContact O-N 3.21Å; S1623-L1627 VanDerWaalsContact O-CA 3.23Å; S1623-L1627 WeakPolarHBondContact O-CA 3.47Å; S1623-L1627 VanDerWaalsContact O-CB 3.3Å; S1623-L1627 WeakPolarHBondContact O-CB 3.35Å; S1623-L1627 WeakPolarHBondContact O-CD1 3.5Å; S1623-L1627 PolarHBondContact O-N 3.19Å |
| 1624 | M | 94 | Very high | 79.3 | Confident | 0.6 Ų | 0.6 | 38.3 Ų | 38.3 | 0% | 0.003 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.7 | -40.8 | 171.2 | -174 | 67.7 | -117.1 | 0 | 0 | 112.5 | H1532 L1534 L1535 A1620 V1621 H1622 L1627 Q1661 F1665 | H1532-M1624 HydrophobicContact CB-SD 3.89Å; H1532-M1624 PolarHBondContact CE1-N 3.19Å; H1532-M1624 WeakPolarHBondContact ND1-CB 3.41Å; H1532-M1624 PolarHBondContact ND1-SD 2.98Å; L1534-M1624 HydrophobicContact CB-CB 4.33Å; L1534-M1624 HydrophobicContact CB-CG 4.08Å; L1534-M1624 HydrophobicContact CB-SD 3.99Å; L1534-M1624 HydrophobicContact CD1-CB 3.82Å; L1534-M1624 HydrophobicContact CD1-CG 4.27Å; L1534-M1624 HydrophobicContact CD2-CB 3.84Å; L1534-M1624 HydrophobicContact CD2-CG 4.16Å; L1535-M1624 HydrophobicContact CB-SD 4.24Å; A1620-M1624 PolarHBondContact O-N 3.08Å; A1620-M1624 VanDerWaalsContact O-N 3.11Å; V1621-M1624 PolarHBondContact O-N 3.08Å; H1622-M1624 VanDerWaalsContact C-N 3.32Å; H1622-M1624 PolarHBondContact O-N 3.17Å; M1624-L1627 HydrophobicContact CE-CD2 3.92Å; M1624-L1627 VanDerWaalsContact O-CB 3.3Å; M1624-L1627 WeakPolarHBondContact O-CB 3.37Å; M1624-Q1661 HydrophobicContact CE-CB 4.4Å; M1624-Q1661 WeakPolarHBondContact CE-O 3.32Å; M1624-F1665 HydrophobicContact CE-CB 3.73Å; M1624-F1665 HydrophobicContact CE-CD1 4.39Å; M1624-F1665 HydrophobicContact CE-CG 4.11Å; M1624-F1665 HydrophobicContact CG-CD1 3.68Å; M1624-F1665 HydrophobicContact CG-CD2 4.31Å; M1624-F1665 HydrophobicContact CG-CE1 3.86Å; M1624-F1665 HydrophobicContact CG-CE2 4.46Å; M1624-F1665 HydrophobicContact CG-CG 3.92Å; M1624-F1665 HydrophobicContact CG-CZ 4.27Å; M1624-F1665 HydrophobicContact SD-CB 4.16Å; M1624-F1665 HydrophobicContact SD-CD1 4.33Å; M1624-F1665 HydrophobicContact SD-CD2 4.22Å; M1624-F1665 HydrophobicContact SD-CG 3.97Å |
| 1625 | L | 94.3 | Very high | 76.7 | Confident | 0.8 Ų | 0.8 | 45.4 Ų | 45.4 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -81.8 | -26.4 | -173.8 | -65.9 | -177.3 | 0 | 0 | 0 | 113.6 | V1621 H1622 L1627 L1662 L1685 A1733 R1736 F1737 | V1621-L1625 HydrophobicContact CG1-CD1 3.69Å; V1621-L1625 HydrophobicContact CG1-CG 4.3Å; V1621-L1625 WeakPolarHBondContact O-CB 3.33Å; V1621-L1625 VanDerWaalsContact O-CG 3.27Å; V1621-L1625 WeakPolarHBondContact O-CG 3.41Å; V1621-L1625 PolarHBondContact O-N 3.01Å; V1621-L1625 VanDerWaalsContact O-N 3.08Å; H1622-L1625 PolarHBondContact O-N 3.31Å; L1625-L1627 VanDerWaalsContact C-N 3.35Å; L1625-L1662 HydrophobicContact CD2-CD1 3.5Å; L1625-L1662 VanDerWaalsContact CD2-CD1 3.49Å; L1625-L1685 HydrophobicContact CD1-CD1 4.36Å; L1625-L1685 HydrophobicContact CD1-CD2 3.95Å; L1625-A1733 HydrophobicContact CB-CB 3.86Å; L1625-A1733 HydrophobicContact CD1-CB 4.21Å; L1625-R1736 WeakPolarHBondContact O-CD 3.39Å; L1625-R1736 PolarHBondContact O-NE 2.98Å; L1625-R1736 PolarHBondContact O-NH1 3.15Å; L1625-F1737 HydrophobicContact CD1-CB 4.01Å; L1625-F1737 HydrophobicContact CD2-CB 3.76Å; L1625-F1737 HydrophobicContact CD2-CD2 3.96Å; L1625-F1737 HydrophobicContact CD2-CG 4.21Å; L1625-F1737 HydrophobicContact CG-CB 4.48Å |
| 1626 | T | 89.6 | Confident | 73.9 | Confident | 40 Ų | 40 | 50 Ų | 50 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -97.8 | 3 | 174.8 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | H1622 D1628 S1629 A1733 R1736 | H1622-T1626 WeakPolarHBondContact NE2-CG2 3.32Å; H1622-T1626 WeakPolarHBondContact O-CB 3.32Å; H1622-T1626 PolarHBondContact O-N 3.01Å; H1622-T1626 PolarHBondContact O-OG1 3.21Å; H1622-T1626 VanDerWaalsContact O-OG1 3.13Å; T1626-D1628 PolarHBondContact O-N 3.14Å; T1626-S1629 VanDerWaalsContact O-CB 3.27Å; T1626-S1629 WeakPolarHBondContact O-CB 3.41Å; T1626-S1629 PolarHBondContact O-N 3.07Å; T1626-S1629 VanDerWaalsContact O-N 3.11Å; T1626-S1629 PolarHBondContact O-OG 2.87Å; T1626-A1733 HydrophobicContact CG2-CB 4.02Å; T1626-R1736 PolarHBondContact O-NH1 3.35Å |
| 1627 | L | 82.5 | Confident | 71 | Confident | 17.4 Ų | 17.4 | 50.8 Ų | 50.8 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 131.2 | -179.2 | -160.8 | 70.4 | 0 | 0 | 0 | 112.3 | R1526 H1532 S1623 M1624 L1625 S1629 Q1661 R1736 | R1526-L1627 HydrophobicContact CG-CD1 4.39Å; R1526-L1627 VanDerWaalsContact NH2-CD1 3.33Å; R1526-L1627 PolarHBondContact NH2-O 2.91Å; H1532-L1627 HydrophobicContact CB-CD1 4.26Å; H1532-L1627 HydrophobicContact CB-CD2 3.88Å; S1623-L1627 VanDerWaalsContact O-CA 3.23Å; S1623-L1627 WeakPolarHBondContact O-CA 3.47Å; S1623-L1627 VanDerWaalsContact O-CB 3.3Å; S1623-L1627 WeakPolarHBondContact O-CB 3.35Å; S1623-L1627 WeakPolarHBondContact O-CD1 3.5Å; S1623-L1627 PolarHBondContact O-N 3.19Å; M1624-L1627 HydrophobicContact CE-CD2 3.92Å; M1624-L1627 VanDerWaalsContact O-CB 3.3Å; M1624-L1627 WeakPolarHBondContact O-CB 3.37Å; L1625-L1627 VanDerWaalsContact C-N 3.35Å; L1627-S1629 VanDerWaalsContact C-N 3.25Å; L1627-S1629 PolarHBondContact O-N 2.96Å; L1627-Q1661 HydrophobicContact CD2-CB 3.87Å; L1627-Q1661 HydrophobicContact CD2-CG 4.42Å; L1627-R1736 VanDerWaalsContact O-CZ 3.28Å; L1627-R1736 PolarHBondContact O-NH1 3.39Å; L1627-R1736 PolarHBondContact O-NH2 2.96Å |
| 1628 | D | 73 | Confident | 68.4 | Low | 37.8 Ų | 37.8 | 55.4 Ų | 55.4 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 31.9 | -179.7 | -55.4 | -53.8 | 0 | 0 | 0 | 114.1 | R1526 T1626 G1657 G1658 Q1661 R1736 H1894 | R1526-D1628 IonicContact CZ-OD1 2.86Å; R1526-D1628 VanDerWaalsContact CZ-OD1 3.23Å; R1526-D1628 IonicContact CZ-OD2 3.69Å; R1526-D1628 IonicContact NH1-OD1 2.87Å; R1526-D1628 PolarHBondContact NH1-OD1 3.1Å; R1526-D1628 IonicContact NH1-OD2 3.13Å; R1526-D1628 PolarHBondContact NH1-OD2 3.22Å; R1526-D1628 VanDerWaalsContact NH1-OD2 3.1Å; R1526-D1628 IonicContact NH2-OD1 3.06Å; R1526-D1628 PolarHBondContact NH2-OD1 3.06Å; R1526-D1628 IonicContact NH2-OD2 3.19Å; R1526-D1628 PolarHBondContact NH2-OD2 3.06Å; R1526-D1628 VanDerWaalsContact NH2-OD2 3.15Å; T1626-D1628 PolarHBondContact O-N 3.14Å; D1628-G1657 CarbonylContact O-C 3.52Å; D1628-G1657 WeakPolarHBondContact O-CA 3.35Å; D1628-G1658 VanDerWaalsContact CB-CA 3.44Å; D1628-G1658 PolarHBondContact O-N 3.24Å; D1628-G1658 VanDerWaalsContact O-N 3.16Å; D1628-Q1661 PolarHBondContact OD2-NE2 3.23Å; D1628-R1736 PolarHBondContact O-NH1 3.24Å; D1628-H1894 IonicContact OD1-CE1 2.77Å; D1628-H1894 PolarHBondContact OD1-CE1 3.18Å; D1628-H1894 IonicContact OD1-ND1 2.81Å; D1628-H1894 PolarHBondContact OD1-ND1 3.48Å; D1628-H1894 IonicContact OD1-NE2 2.68Å |
| 1629 | S | 66.2 | Low | 66 | Low | 57.4 Ų | 57.4 | 61.9 Ų | 61.9 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | trans | -88.5 | 116.4 | 165.3 | -89.1 | 0 | 0 | 0 | 0 | 110.3 | T1626 L1627 S1631 R1736 | T1626-S1629 VanDerWaalsContact O-CB 3.27Å; T1626-S1629 WeakPolarHBondContact O-CB 3.41Å; T1626-S1629 PolarHBondContact O-N 3.07Å; T1626-S1629 VanDerWaalsContact O-N 3.11Å; T1626-S1629 PolarHBondContact O-OG 2.87Å; L1627-S1629 VanDerWaalsContact C-N 3.25Å; L1627-S1629 PolarHBondContact O-N 2.96Å; S1629-S1631 PolarHBondContact O-N 3.03Å; S1629-R1736 PolarHBondContact OG-NH1 3.17Å | ||
| 1630 | N | 54.7 | Low | 63.7 | Low | 67.4 Ų | 67.4 | 68.8 Ų | 68.8 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | trans | -77.9 | 58.2 | -176.6 | -68.2 | -27.7 | 0 | 0 | 0 | 113.6 | D1632 V1633 L1653 S1654 Q1656 | N1630-D1632 PolarHBondContact O-N 3.02Å; N1630-D1632 VanDerWaalsContact O-N 3.14Å; N1630-V1633 HydrophobicContact CB-CG2 4.38Å; N1630-L1653 PolarHBondContact ND2-O 2.91Å; N1630-S1654 VanDerWaalsContact CB-O 3.25Å; N1630-S1654 WeakPolarHBondContact CB-O 3.38Å; N1630-S1654 PolarHBondContact ND2-O 3.23Å; N1630-Q1656 PolarHBondContact ND2-O 3.3Å; N1630-Q1656 VanDerWaalsContact ND2-O 3.13Å | ||
| 1631 | S | 47.4 | Very low | 61.3 | Low | 83.8 Ų | 83.8 | 75.8 Ų | 75.8 | 59% | 0.586 | 42% | 0.418 | S | S | * | . | trans | -71.6 | -37.4 | 177.8 | -158.5 | 0 | 0 | 0 | 0 | 112.7 | S1629 V1633 L1634 | S1629-S1631 PolarHBondContact O-N 3.03Å; S1631-V1633 VanDerWaalsContact C-N 3.27Å; S1631-V1633 PolarHBondContact O-N 3.08Å; S1631-V1633 VanDerWaalsContact O-N 3.12Å; S1631-L1634 PolarHBondContact O-N 3.1Å | ||
| 1632 | D | 41.5 | Very low | 58.6 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 68% | 0.679 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 10 | -163.4 | -74.4 | 1.8 | 0 | 0 | 0 | 114.3 | N1630 L1634 R1892 | N1630-D1632 PolarHBondContact O-N 3.02Å; N1630-D1632 VanDerWaalsContact O-N 3.14Å; D1632-L1634 VanDerWaalsContact C-N 3.3Å; D1632-L1634 PolarHBondContact O-N 2.86Å; D1632-R1892 PolarHBondContact O-NH1 3.35Å; D1632-R1892 PolarHBondContact O-NH2 3Å; D1632-R1892 IonicContact OD2-CZ 3.62Å; D1632-R1892 IonicContact OD2-NH1 2.65Å; D1632-R1892 PolarHBondContact OD2-NH1 3.31Å; D1632-R1892 IonicContact OD2-NH2 3.84Å; D1632-R1892 PolarHBondContact OD2-NH2 2.71Å |
| 1633 | V | 45.3 | Very low | 55.7 | Low | 69 Ų | 69 | 89.6 Ų | 89.6 | 42% | 0.418 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -24 | 180 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | N1630 S1631 D1635 T1636 | N1630-V1633 HydrophobicContact CB-CG2 4.38Å; S1631-V1633 VanDerWaalsContact C-N 3.27Å; S1631-V1633 PolarHBondContact O-N 3.08Å; S1631-V1633 VanDerWaalsContact O-N 3.12Å; V1633-D1635 VanDerWaalsContact C-N 3.35Å; V1633-D1635 PolarHBondContact O-N 2.9Å; V1633-T1636 WeakPolarHBondContact O-CB 3.22Å; V1633-T1636 PolarHBondContact O-N 3.22Å; V1633-T1636 PolarHBondContact O-OG1 3.11Å |
| 1634 | L | 41.9 | Very low | 53.4 | Low | 157.6 Ų | 157.6 | 92.2 Ų | 92.2 | 83% | 0.825 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -87.6 | -20.7 | -179.6 | -66 | 175.8 | 0 | 0 | 0 | 114 | S1631 D1632 T1636 | S1631-L1634 PolarHBondContact O-N 3.1Å; D1632-L1634 VanDerWaalsContact C-N 3.3Å; D1632-L1634 PolarHBondContact O-N 2.86Å; L1634-T1636 VanDerWaalsContact C-N 3.25Å; L1634-T1636 PolarHBondContact O-N 2.95Å |
| 1635 | D | 41.1 | Very low | 51.3 | Low | 149.6 Ų | 149.6 | 101.9 Ų | 101.9 | 80% | 0.8 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 12.8 | 177.9 | -86.3 | -33.8 | 0 | 0 | 0 | 113.6 | V1633 D1637 | V1633-D1635 VanDerWaalsContact C-N 3.35Å; V1633-D1635 PolarHBondContact O-N 2.9Å; D1635-D1637 PolarHBondContact O-N 3.19Å; D1635-D1637 VanDerWaalsContact O-N 3.09Å |
| 1636 | T | 36.2 | Very low | 49.5 | Very low | 95.6 Ų | 95.6 | 105.8 Ų | 105.8 | 59% | 0.587 | 58% | 0.578 | S | S | * | * | trans | -74.2 | 108.1 | 177.2 | -23.7 | 0 | 0 | 0 | 0 | 111 | V1633 L1634 | V1633-T1636 WeakPolarHBondContact O-CB 3.22Å; V1633-T1636 PolarHBondContact O-N 3.22Å; V1633-T1636 PolarHBondContact O-OG1 3.11Å; L1634-T1636 VanDerWaalsContact C-N 3.25Å; L1634-T1636 PolarHBondContact O-N 2.95Å | ||
| 1637 | D | 34.1 | Very low | 48.6 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | trans | -47.9 | 122.7 | 179.1 | -175.5 | -20.3 | 0 | 0 | 0 | 111.7 | D1635 L1639 H1640 | D1635-D1637 PolarHBondContact O-N 3.19Å; D1635-D1637 VanDerWaalsContact O-N 3.09Å; D1637-L1639 PolarHBondContact O-N 2.82Å; D1637-L1639 WeakPolarHBondContact OD1-CB 3.46Å; D1637-L1639 PolarHBondContact OD1-N 3.09Å; D1637-L1639 VanDerWaalsContact OD1-N 3.12Å; D1637-H1640 PolarHBondContact O-N 3.2Å; D1637-H1640 VanDerWaalsContact O-N 3.08Å | ||
| 1638 | P | 37.3 | Very low | 48.3 | Very low | 110.6 Ų | 110.6 | 113.9 Ų | 113.9 | 72% | 0.718 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -58.3 | -14.7 | -174.8 | 13.2 | -22.5 | 0 | 0 | 0 | 114.8 | H1640 Q1641 | P1638-H1640 VanDerWaalsContact C-N 3.28Å; P1638-H1640 PolarHBondContact O-N 3.12Å; P1638-Q1641 PolarHBondContact O-N 3.38Å |
| 1639 | L | 42.7 | Very low | 48.6 | Very low | 148.2 Ų | 148.2 | 116.5 Ų | 116.5 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -67.1 | -19.8 | 174.8 | -74.5 | 164.7 | 0 | 0 | 0 | 114.5 | D1637 | D1637-L1639 PolarHBondContact O-N 2.82Å; D1637-L1639 WeakPolarHBondContact OD1-CB 3.46Å; D1637-L1639 PolarHBondContact OD1-N 3.09Å; D1637-L1639 VanDerWaalsContact OD1-N 3.12Å |
| 1640 | H | 42.8 | Very low | 48.9 | Very low | 153.4 Ų | 153.4 | 119.3 Ų | 119.3 | 71% | 0.71 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -95.4 | -3.1 | -179.2 | -86.9 | -81.9 | 0 | 0 | 0 | 115.3 | D1637 P1638 K1642 | D1637-H1640 PolarHBondContact O-N 3.2Å; D1637-H1640 VanDerWaalsContact O-N 3.08Å; P1638-H1640 VanDerWaalsContact C-N 3.28Å; P1638-H1640 PolarHBondContact O-N 3.12Å; H1640-K1642 VanDerWaalsContact C-N 3.35Å; H1640-K1642 PolarHBondContact O-N 3.12Å |
| 1641 | Q | 41.3 | Very low | 49.9 | Very low | 146.2 Ų | 146.2 | 120 Ų | 120 | 68% | 0.683 | 64% | 0.643 | S | S | * | * | trans | -77.3 | 68.1 | 179.2 | -147.1 | 176.6 | 44.6 | 0 | 0 | 112.6 | P1638 N1643 | P1638-Q1641 PolarHBondContact O-N 3.38Å; Q1641-N1643 PolarHBondContact O-N 3.11Å | ||
| 1642 | K | 37.5 | Very low | 51.3 | Low | 162.4 Ų | 162.4 | 122.3 Ų | 122.3 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -88.6 | 88.3 | -174.5 | -163.5 | 176.5 | -172.6 | 175.9 | 0 | 112.9 | H1640 G1644 R2074 R2075 | H1640-K1642 VanDerWaalsContact C-N 3.35Å; H1640-K1642 PolarHBondContact O-N 3.12Å; K1642-G1644 PolarHBondContact O-N 2.89Å; K1642-R2074 PolarHBondContact NZ-O 2.93Å; K1642-R2075 PolarHBondContact O-NH2 2.98Å | ||
| 1643 | N | 34.3 | Very low | 52.9 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 61 | 59.6 | 168.1 | -66.8 | 38.8 | 0 | 0 | 0 | 116.2 | Q1641 | Q1641-N1643 PolarHBondContact O-N 3.11Š|
| 1644 | G | 44.4 | Very low | 54.1 | Low | 59.2 Ų | 59.2 | 118.9 Ų | 118.9 | 61% | 0.61 | 62% | 0.624 | S | S | * | * | trans | -122.2 | 142.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1642 V1646 | K1642-G1644 PolarHBondContact O-N 2.89Å; G1644-V1646 PolarHBondContact O-N 3.13Å | ||
| 1645 | F | 49 | Very low | 55.6 | Low | 203.8 Ų | 203.8 | 114.8 Ų | 114.8 | 89% | 0.894 | 61% | 0.609 | S | S | * | * | trans | -70 | 122.7 | 170.9 | -128.5 | -93.2 | 0 | 0 | 0 | 108.6 | N1647 | F1645-N1647 VanDerWaalsContact C-N 3.33Å; F1645-N1647 PolarHBondContact O-N 2.94Å; F1645-N1647 VanDerWaalsContact O-N 3.13Å | ||
| 1646 | V | 57.5 | Low | 57.1 | Low | 82.8 Ų | 82.8 | 111.1 Ų | 111.1 | 50% | 0.502 | 59% | 0.587 | S | S | . | * | trans | -70.8 | 105.1 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | G1644 V1651 | G1644-V1646 PolarHBondContact O-N 3.13Å; V1646-V1651 HydrophobicContact CG1-CG2 3.79Å | ||
| 1647 | N | 69.6 | Low | 58.8 | Low | 78.6 Ų | 78.6 | 107.8 Ų | 107.8 | 42% | 0.42 | 57% | 0.572 | S | S | . | * | trans | -73.4 | 134.4 | 174 | -173.4 | 4.3 | 0 | 0 | 0 | 109.2 | F1645 D1649 Q1650 V1651 | F1645-N1647 VanDerWaalsContact C-N 3.33Å; F1645-N1647 PolarHBondContact O-N 2.94Å; F1645-N1647 VanDerWaalsContact O-N 3.13Å; N1647-D1649 PolarHBondContact ND2-OD2 3.18Å; N1647-D1649 PolarHBondContact O-N 3.05Å; N1647-D1649 PolarHBondContact OD1-N 3.1Å; N1647-D1649 VanDerWaalsContact OD1-N 3.12Å; N1647-D1649 PolarHBondContact OD1-OD2 3.15Å; N1647-Q1650 HydrophobicContact CB-CB 4.35Å; N1647-Q1650 WeakPolarHBondContact O-CB 3.41Å; N1647-Q1650 PolarHBondContact O-N 3.12Å; N1647-V1651 PolarHBondContact O-N 3.17Å | ||
| 1648 | E | 77 | Confident | 61 | Low | 148.6 Ų | 148.6 | 104.6 Ų | 104.6 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57 | -37.8 | 176.8 | -62 | -172.4 | 133.8 | 0 | 0 | 111 | Q1650 V1651 F1652 | E1648-Q1650 PolarHBondContact O-N 3.14Å; E1648-V1651 WeakPolarHBondContact O-CB 3.32Å; E1648-V1651 PolarHBondContact O-N 3.17Å; E1648-V1651 VanDerWaalsContact O-N 3.1Å; E1648-F1652 HydrophobicContact CB-CD2 4.46Å; E1648-F1652 HydrophobicContact CB-CE2 4.24Å; E1648-F1652 WeakPolarHBondContact O-CD2 3.28Å; E1648-F1652 PolarHBondContact O-N 3.18Å; E1648-F1652 VanDerWaalsContact O-N 3.1Å |
| 1649 | D | 77.5 | Confident | 63.4 | Low | 92.8 Ų | 92.8 | 100.4 Ų | 100.4 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -54.2 | -38.2 | 173.7 | -60 | -40.3 | 0 | 0 | 0 | 112.3 | N1647 V1651 F1652 L1653 | N1647-D1649 PolarHBondContact ND2-OD2 3.18Å; N1647-D1649 PolarHBondContact O-N 3.05Å; N1647-D1649 PolarHBondContact OD1-N 3.1Å; N1647-D1649 VanDerWaalsContact OD1-N 3.12Å; N1647-D1649 PolarHBondContact OD1-OD2 3.15Å; D1649-V1651 VanDerWaalsContact C-N 3.31Å; D1649-V1651 PolarHBondContact O-N 3.08Å; D1649-F1652 PolarHBondContact O-N 2.99Å; D1649-L1653 HydrophobicContact CB-CD1 4.38Å; D1649-L1653 VanDerWaalsContact O-CB 3.31Å; D1649-L1653 WeakPolarHBondContact O-CB 3.42Å; D1649-L1653 WeakPolarHBondContact O-CD1 3.24Å; D1649-L1653 VanDerWaalsContact O-CG 3.23Å; D1649-L1653 WeakPolarHBondContact O-CG 3.34Å; D1649-L1653 PolarHBondContact O-N 3.11Å |
| 1650 | Q | 74.3 | Confident | 65.4 | Low | 116.8 Ų | 116.8 | 95.4 Ų | 95.4 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | -178.9 | -168.4 | 175.4 | 14.9 | 0 | 0 | 111.4 | N1647 E1648 S1654 | N1647-Q1650 HydrophobicContact CB-CB 4.35Å; N1647-Q1650 WeakPolarHBondContact O-CB 3.41Å; N1647-Q1650 PolarHBondContact O-N 3.12Å; E1648-Q1650 PolarHBondContact O-N 3.14Å; Q1650-S1654 VanDerWaalsContact O-CB 3.26Å; Q1650-S1654 WeakPolarHBondContact O-CB 3.35Å; Q1650-S1654 PolarHBondContact O-N 3.11Å; Q1650-S1654 PolarHBondContact O-OG 3.1Å; Q1650-S1654 VanDerWaalsContact O-OG 3.05Å |
| 1651 | V | 75.8 | Confident | 67.6 | Low | 82 Ų | 82 | 88.8 Ų | 88.8 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | V1646 N1647 E1648 D1649 L1653 S1654 S1655 | V1646-V1651 HydrophobicContact CG1-CG2 3.79Å; N1647-V1651 PolarHBondContact O-N 3.17Å; E1648-V1651 WeakPolarHBondContact O-CB 3.32Å; E1648-V1651 PolarHBondContact O-N 3.17Å; E1648-V1651 VanDerWaalsContact O-N 3.1Å; D1649-V1651 VanDerWaalsContact C-N 3.31Å; D1649-V1651 PolarHBondContact O-N 3.08Å; V1651-L1653 VanDerWaalsContact C-N 3.33Å; V1651-L1653 PolarHBondContact O-N 3.01Å; V1651-S1654 WeakPolarHBondContact CA-OG 3.36Å; V1651-S1654 PolarHBondContact O-N 3.15Å; V1651-S1654 PolarHBondContact O-OG 3.2Å; V1651-S1654 VanDerWaalsContact O-OG 3.12Å; V1651-S1655 WeakPolarHBondContact O-CB 3.36Å; V1651-S1655 PolarHBondContact O-N 3.18Å; V1651-S1655 VanDerWaalsContact O-N 3.07Å |
| 1652 | F | 76.8 | Confident | 70 | Confident | 131.8 Ų | 131.8 | 82 Ų | 82 | 58% | 0.578 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.5 | -44.4 | 176.6 | -70.1 | -63.2 | 0 | 0 | 0 | 112.5 | E1648 D1649 S1655 V1896 | E1648-F1652 HydrophobicContact CB-CD2 4.46Å; E1648-F1652 HydrophobicContact CB-CE2 4.24Å; E1648-F1652 WeakPolarHBondContact O-CD2 3.28Å; E1648-F1652 PolarHBondContact O-N 3.18Å; E1648-F1652 VanDerWaalsContact O-N 3.1Å; D1649-F1652 PolarHBondContact O-N 2.99Å; F1652-S1655 WeakPolarHBondContact O-CB 3.34Å; F1652-S1655 PolarHBondContact O-N 3.32Å; F1652-S1655 PolarHBondContact O-OG 3.15Å; F1652-V1896 HydrophobicContact CD1-CG2 4.29Å; F1652-V1896 HydrophobicContact CD2-CG2 4.22Å; F1652-V1896 HydrophobicContact CE2-CG2 4.46Å; F1652-V1896 HydrophobicContact CG-CG2 4.14Å |
| 1653 | L | 73.7 | Confident | 72.7 | Confident | 90 Ų | 90 | 74.8 Ų | 74.8 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 177.5 | -70.2 | 167.8 | 0 | 0 | 0 | 112.3 | N1630 D1649 V1651 S1655 Q1656 V1896 | N1630-L1653 PolarHBondContact ND2-O 2.91Å; D1649-L1653 HydrophobicContact CB-CD1 4.38Å; D1649-L1653 VanDerWaalsContact O-CB 3.31Å; D1649-L1653 WeakPolarHBondContact O-CB 3.42Å; D1649-L1653 WeakPolarHBondContact O-CD1 3.24Å; D1649-L1653 VanDerWaalsContact O-CG 3.23Å; D1649-L1653 WeakPolarHBondContact O-CG 3.34Å; D1649-L1653 PolarHBondContact O-N 3.11Å; V1651-L1653 VanDerWaalsContact C-N 3.33Å; V1651-L1653 PolarHBondContact O-N 3.01Å; L1653-S1655 VanDerWaalsContact C-N 3.28Å; L1653-S1655 PolarHBondContact O-N 3.28Å; L1653-Q1656 PolarHBondContact O-N 3.24Å; L1653-V1896 HydrophobicContact CD2-CB 3.85Å; L1653-V1896 WeakPolarHBondContact CD2-O 3.22Å |
| 1654 | S | 70.7 | Confident | 75.5 | Confident | 35.6 Ų | 35.6 | 67.4 Ų | 67.4 | 25% | 0.249 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.2 | -25.8 | 177.2 | 66 | 0 | 0 | 0 | 0 | 113.3 | N1630 Q1650 V1651 Q1656 | N1630-S1654 VanDerWaalsContact CB-O 3.25Å; N1630-S1654 WeakPolarHBondContact CB-O 3.38Å; N1630-S1654 PolarHBondContact ND2-O 3.23Å; Q1650-S1654 VanDerWaalsContact O-CB 3.26Å; Q1650-S1654 WeakPolarHBondContact O-CB 3.35Å; Q1650-S1654 PolarHBondContact O-N 3.11Å; Q1650-S1654 PolarHBondContact O-OG 3.1Å; Q1650-S1654 VanDerWaalsContact O-OG 3.05Å; V1651-S1654 WeakPolarHBondContact CA-OG 3.36Å; V1651-S1654 PolarHBondContact O-N 3.15Å; V1651-S1654 PolarHBondContact O-OG 3.2Å; V1651-S1654 VanDerWaalsContact O-OG 3.12Å; S1654-Q1656 VanDerWaalsContact C-N 3.27Å; S1654-Q1656 PolarHBondContact O-N 3.16Å |
| 1655 | S | 73 | Confident | 77.9 | Confident | 71.2 Ų | 71.2 | 64.6 Ų | 64.6 | 50% | 0.498 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.5 | -15.9 | 175.7 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | V1651 F1652 L1653 T1960 | V1651-S1655 WeakPolarHBondContact O-CB 3.36Å; V1651-S1655 PolarHBondContact O-N 3.18Å; V1651-S1655 VanDerWaalsContact O-N 3.07Å; F1652-S1655 WeakPolarHBondContact O-CB 3.34Å; F1652-S1655 PolarHBondContact O-N 3.32Å; F1652-S1655 PolarHBondContact O-OG 3.15Å; L1653-S1655 VanDerWaalsContact C-N 3.28Å; L1653-S1655 PolarHBondContact O-N 3.28Å; S1655-T1960 WeakPolarHBondContact O-CG2 3.29Å |
| 1656 | Q | 73 | Confident | 80.1 | Confident | 71.4 Ų | 71.4 | 54.9 Ų | 54.9 | 33% | 0.334 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 128.1 | -177.1 | -65 | -158.3 | -13.7 | 0 | 0 | 112.3 | N1630 L1653 S1654 V1896 S1898 | N1630-Q1656 PolarHBondContact ND2-O 3.3Å; N1630-Q1656 VanDerWaalsContact ND2-O 3.13Å; L1653-Q1656 PolarHBondContact O-N 3.24Å; S1654-Q1656 VanDerWaalsContact C-N 3.27Å; S1654-Q1656 PolarHBondContact O-N 3.16Å; Q1656-V1896 PolarHBondContact OE1-O 2.84Å; Q1656-S1898 PolarHBondContact NE2-OG 3.3Å; Q1656-S1898 VanDerWaalsContact NE2-OG 3.14Å |
| 1657 | G | 72.7 | Confident | 81.9 | Confident | 27.4 Ų | 27.4 | 51.1 Ų | 51.1 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 127 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1628 T1659 | D1628-G1657 CarbonylContact O-C 3.52Å; D1628-G1657 WeakPolarHBondContact O-CA 3.35Å; G1657-T1659 PolarHBondContact O-N 3.28Å |
| 1658 | G | 79.6 | Confident | 83.1 | Confident | 22.2 Ų | 22.2 | 47.7 Ų | 47.7 | 23% | 0.229 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 130.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1628 R1736 | D1628-G1658 VanDerWaalsContact CB-CA 3.44Å; D1628-G1658 PolarHBondContact O-N 3.24Å; D1628-G1658 VanDerWaalsContact O-N 3.16Å; G1658-R1736 PolarHBondContact O-NH2 3.05Å |
| 1659 | T | 87.6 | Confident | 84 | Confident | 23.8 Ų | 23.8 | 40.6 Ų | 40.6 | 15% | 0.146 | 23% | 0.228 | C | C | . | . | trans | -118.8 | -15.3 | 179.6 | 64 | 0 | 0 | 0 | 0 | 114.4 | G1657 Q1661 L1662 D1663 T1956 E1959 | G1657-T1659 PolarHBondContact O-N 3.28Å; T1659-Q1661 VanDerWaalsContact C-N 3.33Å; T1659-Q1661 PolarHBondContact O-N 2.95Å; T1659-Q1661 VanDerWaalsContact O-N 3.14Å; T1659-L1662 CarbonylContact O-C 3.56Å; T1659-L1662 WeakPolarHBondContact O-CA 3.35Å; T1659-L1662 WeakPolarHBondContact O-CB 3.34Å; T1659-L1662 PolarHBondContact O-N 2.92Å; T1659-D1663 WeakPolarHBondContact CB-OD2 3.28Å; T1659-D1663 PolarHBondContact O-N 3.13Å; T1659-D1663 PolarHBondContact OG1-OD2 3.12Å; T1659-T1956 HydrophobicContact CG2-CG2 4.08Å; T1659-T1956 WeakPolarHBondContact OG1-CG2 3.27Å; T1659-E1959 VanDerWaalsContact CG2-CD 3.45Å; T1659-E1959 VanDerWaalsContact CG2-OE1 3.3Å; T1659-E1959 WeakPolarHBondContact CG2-OE1 3.39Å | ||
| 1660 | N | 85.9 | Confident | 84.8 | Confident | 41.4 Ų | 41.4 | 36.3 Ų | 36.3 | 22% | 0.221 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.8 | -43.7 | -171.8 | 46.1 | 5.2 | 0 | 0 | 0 | 113.7 | L1662 D1663 D1664 F1834 | N1660-L1662 VanDerWaalsContact C-N 3.32Å; N1660-L1662 PolarHBondContact O-N 3.47Å; N1660-D1663 PolarHBondContact O-N 2.81Å; N1660-D1664 VanDerWaalsContact O-CB 3.23Å; N1660-D1664 WeakPolarHBondContact O-CB 3.36Å; N1660-D1664 PolarHBondContact O-N 3.1Å; N1660-F1834 WeakPolarHBondContact ND2-CG 3.45Å |
| 1661 | Q | 88.2 | Confident | 85.7 | Confident | 15.8 Ų | 15.8 | 31.7 Ų | 31.7 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.6 | -30.5 | 176.5 | -65.9 | -153.6 | 64.1 | 0 | 0 | 113.7 | R1526 G1530 L1535 M1624 L1627 D1628 T1659 F1665 R1831 | R1526-Q1661 VanDerWaalsContact NH1-NE2 3.1Å; G1530-Q1661 PolarHBondContact O-NE2 2.94Å; G1530-Q1661 PolarHBondContact O-OE1 3.31Å; L1535-Q1661 HydrophobicContact CD2-CB 4.23Å; L1535-Q1661 HydrophobicContact CD2-CG 4.29Å; M1624-Q1661 HydrophobicContact CE-CB 4.4Å; M1624-Q1661 WeakPolarHBondContact CE-O 3.32Å; L1627-Q1661 HydrophobicContact CD2-CB 3.87Å; L1627-Q1661 HydrophobicContact CD2-CG 4.42Å; D1628-Q1661 PolarHBondContact OD2-NE2 3.23Å; T1659-Q1661 VanDerWaalsContact C-N 3.33Å; T1659-Q1661 PolarHBondContact O-N 2.95Å; T1659-Q1661 VanDerWaalsContact O-N 3.14Å; Q1661-F1665 VanDerWaalsContact O-CB 3.29Å; Q1661-F1665 WeakPolarHBondContact O-CB 3.43Å; Q1661-F1665 PolarHBondContact O-N 3.08Å; Q1661-F1665 VanDerWaalsContact O-N 3.07Å; Q1661-R1831 VanDerWaalsContact OE1-NH1 3.09Å |
| 1662 | L | 92.9 | Very high | 86.5 | Confident | 2.6 Ų | 2.6 | 30.6 Ų | 30.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.4 | -44.9 | 175.4 | 176.6 | 59.3 | 0 | 0 | 0 | 110.1 | L1625 T1659 N1660 F1665 V1666 R1736 | L1625-L1662 HydrophobicContact CD2-CD1 3.5Å; L1625-L1662 VanDerWaalsContact CD2-CD1 3.49Å; T1659-L1662 CarbonylContact O-C 3.56Å; T1659-L1662 WeakPolarHBondContact O-CA 3.35Å; T1659-L1662 WeakPolarHBondContact O-CB 3.34Å; T1659-L1662 PolarHBondContact O-N 2.92Å; N1660-L1662 VanDerWaalsContact C-N 3.32Å; N1660-L1662 PolarHBondContact O-N 3.47Å; L1662-F1665 HydrophobicContact CD1-CD1 4.48Å; L1662-F1665 WeakPolarHBondContact O-CB 3.43Å; L1662-F1665 PolarHBondContact O-N 3.05Å; L1662-V1666 HydrophobicContact CD1-CG2 3.91Å; L1662-V1666 HydrophobicContact CG-CG2 4.45Å; L1662-V1666 WeakPolarHBondContact O-CB 3.31Å; L1662-V1666 VanDerWaalsContact O-CG2 3.3Å; L1662-V1666 WeakPolarHBondContact O-CG2 3.37Å; L1662-V1666 PolarHBondContact O-N 3.16Å; L1662-R1736 HydrophobicContact CD2-CB 4.1Å; L1662-R1736 HydrophobicContact CD2-CG 3.88Å |
| 1663 | D | 92.9 | Very high | 87.2 | Confident | 12.2 Ų | 12.2 | 24.9 Ų | 24.9 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 178.2 | -65.3 | -22 | 0 | 0 | 0 | 111.6 | T1659 N1660 F1665 V1666 F1667 S1740 R1743 Q1952 | T1659-D1663 WeakPolarHBondContact CB-OD2 3.28Å; T1659-D1663 PolarHBondContact O-N 3.13Å; T1659-D1663 PolarHBondContact OG1-OD2 3.12Å; N1660-D1663 PolarHBondContact O-N 2.81Å; D1663-F1665 VanDerWaalsContact C-N 3.33Å; D1663-F1665 PolarHBondContact O-N 3.18Å; D1663-V1666 PolarHBondContact O-N 3.01Å; D1663-F1667 WeakPolarHBondContact O-CB 3.34Å; D1663-F1667 PolarHBondContact O-N 3.07Å; D1663-S1740 WeakPolarHBondContact CA-OG 3.35Å; D1663-S1740 WeakPolarHBondContact OD1-CA 3.26Å; D1663-S1740 VanDerWaalsContact OD1-CB 3.22Å; D1663-S1740 WeakPolarHBondContact OD1-CB 3.37Å; D1663-S1740 PolarHBondContact OD1-OG 3Å; D1663-R1743 VanDerWaalsContact CG-NE 3.31Å; D1663-R1743 VanDerWaalsContact CG-NH2 3.31Å; D1663-R1743 IonicContact OD1-CZ 3.29Å; D1663-R1743 VanDerWaalsContact OD1-CZ 3.28Å; D1663-R1743 IonicContact OD1-NE 3.15Å; D1663-R1743 PolarHBondContact OD1-NE 3.19Å; D1663-R1743 VanDerWaalsContact OD1-NE 3.11Å; D1663-R1743 IonicContact OD1-NH2 3.08Å; D1663-R1743 PolarHBondContact OD1-NH2 3.3Å; D1663-R1743 WeakPolarHBondContact OD2-CD 3.37Å; D1663-R1743 IonicContact OD2-CZ 3.55Å; D1663-R1743 VanDerWaalsContact OD2-CZ 3.32Å; D1663-R1743 IonicContact OD2-NE 3.28Å; D1663-R1743 PolarHBondContact OD2-NE 3.04Å; D1663-R1743 VanDerWaalsContact OD2-NE 3.07Å; D1663-R1743 IonicContact OD2-NH2 3.14Å; D1663-R1743 PolarHBondContact OD2-NH2 2.86Å; D1663-R1743 VanDerWaalsContact OD2-NH2 3.13Å; D1663-Q1952 PolarHBondContact OD2-NE2 3.46Å |
| 1664 | D | 93.3 | Very high | 88.1 | Confident | 4.6 Ų | 4.6 | 22.6 Ų | 22.6 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -43 | 169.9 | -171.3 | 11.2 | 0 | 0 | 0 | 112 | L1535 K1539 N1660 T1668 I1827 R1831 | L1535-D1664 HydrophobicContact CD1-CB 4.11Å; L1535-D1664 HydrophobicContact CD2-CB 4.45Å; K1539-D1664 WeakPolarHBondContact CE-OD1 3.36Å; K1539-D1664 WeakPolarHBondContact CE-OD2 3.45Å; K1539-D1664 IonicContact NZ-OD1 3.11Å; K1539-D1664 PolarHBondContact NZ-OD1 3.18Å; K1539-D1664 IonicContact NZ-OD2 3.2Å; K1539-D1664 PolarHBondContact NZ-OD2 3.02Å; N1660-D1664 VanDerWaalsContact O-CB 3.23Å; N1660-D1664 WeakPolarHBondContact O-CB 3.36Å; N1660-D1664 PolarHBondContact O-N 3.1Å; D1664-T1668 WeakPolarHBondContact O-CB 3.35Å; D1664-T1668 PolarHBondContact O-N 3.26Å; D1664-T1668 VanDerWaalsContact O-N 3.12Å; D1664-T1668 PolarHBondContact O-OG1 3.05Å; D1664-I1827 HydrophobicContact CB-CG2 3.79Å; D1664-R1831 WeakPolarHBondContact OD2-CD 3.4Å; D1664-R1831 IonicContact OD2-CZ 3.84Å; D1664-R1831 IonicContact OD2-NE 2.84Å; D1664-R1831 IonicContact OD2-NH1 3.42Å; D1664-R1831 PolarHBondContact OD2-NH1 3.41Å |
| 1665 | F | 95.3 | Very high | 89 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.9 | -51.4 | 176.1 | 169.9 | -109.1 | 0 | 0 | 0 | 112.6 | L1534 L1535 A1538 F1611 L1615 M1624 Q1661 L1662 D1663 F1667 T1668 L1669 L1681 | L1534-F1665 HydrophobicContact CB-CD2 4.37Å; L1534-F1665 HydrophobicContact CB-CE2 3.91Å; L1534-F1665 HydrophobicContact CB-CZ 4.44Å; L1534-F1665 HydrophobicContact CD2-CE2 4.48Å; L1534-F1665 HydrophobicContact CD2-CZ 4.2Å; L1535-F1665 HydrophobicContact CB-CB 4.47Å; L1535-F1665 HydrophobicContact CD1-CB 4.02Å; A1538-F1665 HydrophobicContact CB-CD2 4.32Å; A1538-F1665 HydrophobicContact CB-CE2 4.46Å; F1611-F1665 AromaticContact CE2-CE2 3.96Å; F1611-F1665 HydrophobicContact CE2-CE2 3.96Å; F1611-F1665 AromaticContact CZ-CE2 3.94Å; F1611-F1665 HydrophobicContact CZ-CE2 3.94Å; L1615-F1665 HydrophobicContact CD2-CZ 4.1Å; M1624-F1665 HydrophobicContact CE-CB 3.73Å; M1624-F1665 HydrophobicContact CE-CD1 4.39Å; M1624-F1665 HydrophobicContact CE-CG 4.11Å; M1624-F1665 HydrophobicContact CG-CD1 3.68Å; M1624-F1665 HydrophobicContact CG-CD2 4.31Å; M1624-F1665 HydrophobicContact CG-CE1 3.86Å; M1624-F1665 HydrophobicContact CG-CE2 4.46Å; M1624-F1665 HydrophobicContact CG-CG 3.92Å; M1624-F1665 HydrophobicContact CG-CZ 4.27Å; M1624-F1665 HydrophobicContact SD-CB 4.16Å; M1624-F1665 HydrophobicContact SD-CD1 4.33Å; M1624-F1665 HydrophobicContact SD-CD2 4.22Å; M1624-F1665 HydrophobicContact SD-CG 3.97Å; Q1661-F1665 VanDerWaalsContact O-CB 3.29Å; Q1661-F1665 WeakPolarHBondContact O-CB 3.43Å; Q1661-F1665 PolarHBondContact O-N 3.08Å; Q1661-F1665 VanDerWaalsContact O-N 3.07Å; L1662-F1665 HydrophobicContact CD1-CD1 4.48Å; L1662-F1665 WeakPolarHBondContact O-CB 3.43Å; L1662-F1665 PolarHBondContact O-N 3.05Å; D1663-F1665 VanDerWaalsContact C-N 3.33Å; D1663-F1665 PolarHBondContact O-N 3.18Å; F1665-F1667 VanDerWaalsContact C-N 3.34Å; F1665-F1667 PolarHBondContact O-N 3.18Å; F1665-T1668 PolarHBondContact O-N 2.98Å; F1665-L1669 HydrophobicContact CE1-CD2 4.28Å; F1665-L1669 HydrophobicContact CZ-CD2 4.15Å; F1665-L1669 WeakPolarHBondContact O-CB 3.33Å; F1665-L1669 PolarHBondContact O-N 3.26Å; F1665-L1681 HydrophobicContact CE1-CD1 4.04Å; F1665-L1681 HydrophobicContact CE1-CD2 4.49Å; F1665-L1681 HydrophobicContact CZ-CD1 4.12Å |
| 1666 | V | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.6 | -35 | -176.9 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L1662 D1663 L1669 I1670 F1737 S1740 V1741 I1744 | L1662-V1666 HydrophobicContact CD1-CG2 3.91Å; L1662-V1666 HydrophobicContact CG-CG2 4.45Å; L1662-V1666 WeakPolarHBondContact O-CB 3.31Å; L1662-V1666 VanDerWaalsContact O-CG2 3.3Å; L1662-V1666 WeakPolarHBondContact O-CG2 3.37Å; L1662-V1666 PolarHBondContact O-N 3.16Å; D1663-V1666 PolarHBondContact O-N 3.01Å; V1666-L1669 PolarHBondContact O-N 2.94Å; V1666-I1670 HydrophobicContact CG1-CD1 3.72Å; V1666-I1670 HydrophobicContact CG1-CG1 4.29Å; V1666-I1670 WeakPolarHBondContact O-CB 3.31Å; V1666-I1670 WeakPolarHBondContact O-CG1 3.39Å; V1666-I1670 PolarHBondContact O-N 2.99Å; V1666-F1737 HydrophobicContact CG1-CD2 4.47Å; V1666-F1737 HydrophobicContact CG1-CE2 4.06Å; V1666-F1737 HydrophobicContact CG2-CD2 3.69Å; V1666-F1737 HydrophobicContact CG2-CE2 3.78Å; V1666-S1740 WeakPolarHBondContact CB-OG 3.38Å; V1666-S1740 WeakPolarHBondContact CG2-OG 3.37Å; V1666-V1741 HydrophobicContact CG1-CB 4.46Å; V1666-V1741 HydrophobicContact CG1-CG2 3.66Å; V1666-I1744 HydrophobicContact CB-CD1 3.81Å; V1666-I1744 HydrophobicContact CG1-CD1 3.59Å |
| 1667 | F | 95.1 | Very high | 91 | Very high | 3.4 Ų | 3.4 | 21.5 Ų | 21.5 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 171.1 | 169.7 | -99.7 | 0 | 0 | 0 | 111 | D1663 F1665 L1669 I1670 C1671 K1672 I1744 A1820 L1823 E1824 I1827 | D1663-F1667 WeakPolarHBondContact O-CB 3.34Å; D1663-F1667 PolarHBondContact O-N 3.07Å; F1665-F1667 VanDerWaalsContact C-N 3.34Å; F1665-F1667 PolarHBondContact O-N 3.18Å; F1667-L1669 VanDerWaalsContact C-N 3.33Å; F1667-L1669 PolarHBondContact O-N 3.09Å; F1667-I1670 PolarHBondContact O-N 3.2Å; F1667-C1671 HydrophobicContact CD2-CB 3.94Å; F1667-C1671 VanDerWaalsContact CD2-SG 3.59Å; F1667-C1671 HydrophobicContact CE2-CB 3.61Å; F1667-C1671 VanDerWaalsContact CE2-SG 3.59Å; F1667-C1671 HydrophobicContact CZ-CB 4.02Å; F1667-C1671 WeakPolarHBondContact O-CA 3.29Å; F1667-C1671 VanDerWaalsContact O-CB 3.25Å; F1667-C1671 WeakPolarHBondContact O-CB 3.34Å; F1667-C1671 PolarHBondContact O-N 3.04Å; F1667-K1672 HydrophobicContact CE1-CD 4.12Å; F1667-K1672 HydrophobicContact CE1-CG 4.37Å; F1667-I1744 HydrophobicContact CB-CD1 4Å; F1667-I1744 HydrophobicContact CB-CG1 4.45Å; F1667-I1744 VanDerWaalsContact N-CD1 3.32Å; F1667-A1820 HydrophobicContact CE2-CB 4.4Å; F1667-A1820 HydrophobicContact CZ-CB 4.44Å; F1667-A1820 VanDerWaalsContact CZ-O 3.24Å; F1667-A1820 WeakPolarHBondContact CZ-O 3.33Å; F1667-L1823 HydrophobicContact CD2-CD2 3.73Å; F1667-L1823 HydrophobicContact CD2-CG 3.91Å; F1667-L1823 HydrophobicContact CE2-CB 4.06Å; F1667-L1823 HydrophobicContact CE2-CD2 3.91Å; F1667-L1823 HydrophobicContact CE2-CG 3.94Å; F1667-E1824 HydrophobicContact CE1-CB 3.75Å; F1667-E1824 HydrophobicContact CE1-CG 4.22Å; F1667-E1824 HydrophobicContact CZ-CB 3.74Å; F1667-I1827 HydrophobicContact CB-CD1 3.53Å; F1667-I1827 HydrophobicContact CD1-CD1 3.97Å; F1667-I1827 HydrophobicContact CD2-CD1 3.97Å; F1667-I1827 HydrophobicContact CG-CD1 3.53Å; F1667-I1827 VanDerWaalsContact CG-CD1 3.48Å |
| 1668 | T | 94.8 | Very high | 92 | Very high | 6.2 Ų | 6.2 | 20.2 Ų | 20.2 | 4% | 0.038 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 177.1 | -56 | 0 | 0 | 0 | 0 | 110.8 | A1538 K1539 E1542 D1664 F1665 I1670 K1672 C1673 | A1538-T1668 HydrophobicContact CB-CG2 3.79Å; K1539-T1668 HydrophobicContact CG-CG2 4.25Å; E1542-T1668 HydrophobicContact CB-CG2 4.48Å; D1664-T1668 WeakPolarHBondContact O-CB 3.35Å; D1664-T1668 PolarHBondContact O-N 3.26Å; D1664-T1668 VanDerWaalsContact O-N 3.12Å; D1664-T1668 PolarHBondContact O-OG1 3.05Å; F1665-T1668 PolarHBondContact O-N 2.98Å; T1668-I1670 PolarHBondContact O-N 2.78Å; T1668-K1672 HydrophobicContact CG2-CB 4.35Å; T1668-K1672 CarbonylContact O-C 3.56Å; T1668-K1672 WeakPolarHBondContact O-CA 3.38Å; T1668-K1672 VanDerWaalsContact O-CB 3.31Å; T1668-K1672 WeakPolarHBondContact O-CB 3.36Å; T1668-K1672 PolarHBondContact O-N 3.16Å; T1668-K1672 VanDerWaalsContact O-N 3.09Å; T1668-C1673 PolarHBondContact O-N 2.98Å; T1668-C1673 PolarHBondContact O-SG 3.06Å; T1668-C1673 VanDerWaalsContact O-SG 3.38Å |
| 1669 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.7 | -177.6 | 62.4 | 0 | 0 | 0 | 113.3 | F1611 F1665 V1666 F1667 C1673 I1677 L1681 F1737 | F1611-L1669 HydrophobicContact CE1-CD1 4.44Å; F1611-L1669 HydrophobicContact CZ-CD1 4.43Å; F1665-L1669 HydrophobicContact CE1-CD2 4.28Å; F1665-L1669 HydrophobicContact CZ-CD2 4.15Å; F1665-L1669 WeakPolarHBondContact O-CB 3.33Å; F1665-L1669 PolarHBondContact O-N 3.26Å; V1666-L1669 PolarHBondContact O-N 2.94Å; F1667-L1669 VanDerWaalsContact C-N 3.33Å; F1667-L1669 PolarHBondContact O-N 3.09Å; L1669-C1673 HydrophobicContact CD1-CB 4.36Å; L1669-C1673 WeakPolarHBondContact O-CB 3.44Å; L1669-I1677 HydrophobicContact CD1-CB 4.41Å; L1669-I1677 HydrophobicContact CD1-CG2 4.02Å; L1669-L1681 HydrophobicContact CD2-CD1 4.1Å; L1669-L1681 HydrophobicContact CD2-CD2 3.52Å; L1669-F1737 HydrophobicContact CD2-CE2 4.47Å |
| 1670 | I | 94.1 | Very high | 93.1 | Very high | 2.6 Ų | 2.6 | 23.4 Ų | 23.4 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -86 | -40.5 | -176.1 | -67.6 | 179.6 | 0 | 0 | 0 | 112.4 | V1666 F1667 T1668 V1741 L1769 L1772 | V1666-I1670 HydrophobicContact CG1-CD1 3.72Å; V1666-I1670 HydrophobicContact CG1-CG1 4.29Å; V1666-I1670 WeakPolarHBondContact O-CB 3.31Å; V1666-I1670 WeakPolarHBondContact O-CG1 3.39Å; V1666-I1670 PolarHBondContact O-N 2.99Å; F1667-I1670 PolarHBondContact O-N 3.2Å; T1668-I1670 PolarHBondContact O-N 2.78Å; I1670-V1741 HydrophobicContact CD1-CB 4.38Å; I1670-V1741 HydrophobicContact CD1-CG1 3.86Å; I1670-V1741 HydrophobicContact CD1-CG2 4.05Å; I1670-L1769 WeakPolarHBondContact O-CD2 3.45Å; I1670-L1772 HydrophobicContact CB-CD2 4.47Å; I1670-L1772 HydrophobicContact CG2-CD2 4.16Å; I1670-L1772 HydrophobicContact CG2-CG 4.45Å; I1670-L1772 WeakPolarHBondContact O-CD2 3.38Å |
| 1671 | C | 92.7 | Very high | 93.6 | Very high | 20.2 Ų | 20.2 | 21.4 Ų | 21.4 | 14% | 0.136 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -96.8 | -13.8 | -169.5 | -59.3 | 0 | 0 | 0 | 0 | 114 | F1667 L1769 A1820 | F1667-C1671 HydrophobicContact CD2-CB 3.94Å; F1667-C1671 VanDerWaalsContact CD2-SG 3.59Å; F1667-C1671 HydrophobicContact CE2-CB 3.61Å; F1667-C1671 VanDerWaalsContact CE2-SG 3.59Å; F1667-C1671 HydrophobicContact CZ-CB 4.02Å; F1667-C1671 WeakPolarHBondContact O-CA 3.29Å; F1667-C1671 VanDerWaalsContact O-CB 3.25Å; F1667-C1671 WeakPolarHBondContact O-CB 3.34Å; F1667-C1671 PolarHBondContact O-N 3.04Å; C1671-L1769 HydrophobicContact CB-CD1 4.38Å; C1671-A1820 HydrophobicContact CB-CB 4.44Å |
| 1672 | K | 92.1 | Very high | 94 | Very high | 58.6 Ų | 58.6 | 20.9 Ų | 20.9 | 26% | 0.255 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | -33.2 | -173.4 | -56.7 | -131.4 | 169.3 | 171.6 | 0 | 115.3 | E1542 F1667 T1668 E1824 | E1542-K1672 HydrophobicContact CB-CB 4.44Å; E1542-K1672 HydrophobicContact CG-CB 3.65Å; E1542-K1672 HydrophobicContact CG-CD 4.01Å; E1542-K1672 HydrophobicContact CG-CG 4.29Å; E1542-K1672 WeakPolarHBondContact OE1-CD 3.29Å; E1542-K1672 IonicContact OE1-NZ 2.75Å; E1542-K1672 PolarHBondContact OE1-NZ 2.94Å; F1667-K1672 HydrophobicContact CE1-CD 4.12Å; F1667-K1672 HydrophobicContact CE1-CG 4.37Å; T1668-K1672 HydrophobicContact CG2-CB 4.35Å; T1668-K1672 CarbonylContact O-C 3.56Å; T1668-K1672 WeakPolarHBondContact O-CA 3.38Å; T1668-K1672 VanDerWaalsContact O-CB 3.31Å; T1668-K1672 WeakPolarHBondContact O-CB 3.36Å; T1668-K1672 PolarHBondContact O-N 3.16Å; T1668-K1672 VanDerWaalsContact O-N 3.09Å; K1672-E1824 WeakPolarHBondContact CE-OE1 3.24Å; K1672-E1824 VanDerWaalsContact CE-OE2 3.24Å; K1672-E1824 WeakPolarHBondContact CE-OE2 3.32Å; K1672-E1824 IonicContact NZ-OE1 3.03Å; K1672-E1824 PolarHBondContact NZ-OE1 3.28Å; K1672-E1824 IonicContact NZ-OE2 2.99Å; K1672-E1824 PolarHBondContact NZ-OE2 3.09Å |
| 1673 | C | 92.6 | Very high | 94 | Very high | 11.8 Ų | 11.8 | 23.8 Ų | 23.8 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -76.5 | 157.8 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | M1541 T1668 L1669 | M1541-C1673 HydrophobicContact CE-CB 3.68Å; M1541-C1673 WeakPolarHBondContact CE-SG 3.43Å; T1668-C1673 PolarHBondContact O-N 2.98Å; T1668-C1673 PolarHBondContact O-SG 3.06Å; T1668-C1673 VanDerWaalsContact O-SG 3.38Å; L1669-C1673 HydrophobicContact CD1-CB 4.36Å; L1669-C1673 WeakPolarHBondContact O-CB 3.44Å |
| 1674 | P | 91.5 | Very high | 94.1 | Very high | 43.6 Ų | 43.6 | 23.2 Ų | 23.2 | 28% | 0.283 | 13% | 0.129 | S | C | . | . | trans | -60.1 | 140.2 | 168 | -20.7 | 32.5 | 0 | 0 | 0 | 111.6 | E1676 I1677 | P1674-E1676 WeakPolarHBondContact CB-OE2 3.3Å; P1674-E1676 PolarHBondContact O-N 3.15Å; P1674-E1676 VanDerWaalsContact O-N 3.15Å; P1674-I1677 HydrophobicContact CB-CD1 4.4Å; P1674-I1677 HydrophobicContact CB-CG1 4.25Å; P1674-I1677 HydrophobicContact CG-CD1 4.29Å; P1674-I1677 HydrophobicContact CG-CG1 4.38Å; P1674-I1677 WeakPolarHBondContact O-CB 3.32Å; P1674-I1677 WeakPolarHBondContact O-CG1 3.41Å; P1674-I1677 PolarHBondContact O-N 3.07Å; P1674-I1677 VanDerWaalsContact O-N 3.12Å | ||
| 1675 | P | 91.2 | Very high | 94.1 | Very high | 34.8 Ų | 34.8 | 23 Ų | 23 | 23% | 0.226 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -29.1 | -174.2 | 25.3 | -35 | 0 | 0 | 0 | 113.3 | I1677 T1678 D1679 L1772 | P1675-I1677 PolarHBondContact O-N 3.15Å; P1675-I1677 VanDerWaalsContact O-N 3.14Å; P1675-T1678 WeakPolarHBondContact O-CA 3.33Å; P1675-T1678 VanDerWaalsContact O-CB 3.29Å; P1675-T1678 WeakPolarHBondContact O-CB 3.39Å; P1675-T1678 PolarHBondContact O-N 3.15Å; P1675-T1678 VanDerWaalsContact O-N 3.12Å; P1675-D1679 PolarHBondContact O-N 3.29Å; P1675-L1772 HydrophobicContact CB-CD1 4.13Å; P1675-L1772 HydrophobicContact CB-CD2 4.29Å |
| 1676 | E | 92.7 | Very high | 94 | Very high | 115.4 Ų | 115.4 | 24.9 Ų | 24.9 | 54% | 0.539 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.2 | -26 | 178.2 | -55.4 | 85.8 | 168.9 | 0 | 0 | 112.5 | P1674 T1678 D1679 I1680 | P1674-E1676 WeakPolarHBondContact CB-OE2 3.3Å; P1674-E1676 PolarHBondContact O-N 3.15Å; P1674-E1676 VanDerWaalsContact O-N 3.15Å; E1676-T1678 VanDerWaalsContact C-N 3.33Å; E1676-D1679 PolarHBondContact O-N 3.24Å; E1676-I1680 PolarHBondContact O-N 3.25Å |
| 1677 | I | 94 | Very high | 93.7 | Very high | 4.4 Ų | 4.4 | 30.1 Ų | 30.1 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.7 | -30.1 | 177.9 | -54.1 | -77.2 | 0 | 0 | 0 | 111 | M1541 F1611 E1612 L1615 L1669 P1674 P1675 D1679 I1680 L1681 | M1541-I1677 HydrophobicContact CE-CD1 3.58Å; M1541-I1677 HydrophobicContact CE-CG1 4.15Å; M1541-I1677 HydrophobicContact CE-CG2 4.4Å; M1541-I1677 HydrophobicContact SD-CD1 4.18Å; M1541-I1677 WeakPolarHBondContact SD-CD1 3.42Å; M1541-I1677 HydrophobicContact SD-CG1 4.36Å; F1611-I1677 HydrophobicContact CD1-CG2 3.72Å; F1611-I1677 HydrophobicContact CE1-CG2 3.5Å; F1611-I1677 VanDerWaalsContact CE1-CG2 3.48Å; F1611-I1677 HydrophobicContact CZ-CG2 4.4Å; E1612-I1677 HydrophobicContact CG-CD1 3.7Å; E1612-I1677 WeakPolarHBondContact OE1-CD1 3.41Å; L1615-I1677 HydrophobicContact CD1-CG2 3.38Å; L1615-I1677 VanDerWaalsContact CD1-CG2 3.4Å; L1669-I1677 HydrophobicContact CD1-CB 4.41Å; L1669-I1677 HydrophobicContact CD1-CG2 4.02Å; P1674-I1677 HydrophobicContact CB-CD1 4.4Å; P1674-I1677 HydrophobicContact CB-CG1 4.25Å; P1674-I1677 HydrophobicContact CG-CD1 4.29Å; P1674-I1677 HydrophobicContact CG-CG1 4.38Å; P1674-I1677 WeakPolarHBondContact O-CB 3.32Å; P1674-I1677 WeakPolarHBondContact O-CG1 3.41Å; P1674-I1677 PolarHBondContact O-N 3.07Å; P1674-I1677 VanDerWaalsContact O-N 3.12Å; P1675-I1677 PolarHBondContact O-N 3.15Å; P1675-I1677 VanDerWaalsContact O-N 3.14Å; I1677-D1679 VanDerWaalsContact C-N 3.33Å; I1677-D1679 PolarHBondContact O-N 2.77Å; I1677-I1680 HydrophobicContact CD1-CD1 4.36Å; I1677-I1680 WeakPolarHBondContact O-CB 3.36Å; I1677-I1680 PolarHBondContact O-N 3.19Å; I1677-L1681 PolarHBondContact O-N 3.02Å |
| 1678 | T | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -37.8 | 171.7 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | P1675 E1676 I1680 L1681 L1682 L1772 V1776 | P1675-T1678 WeakPolarHBondContact O-CA 3.33Å; P1675-T1678 VanDerWaalsContact O-CB 3.29Å; P1675-T1678 WeakPolarHBondContact O-CB 3.39Å; P1675-T1678 PolarHBondContact O-N 3.15Å; P1675-T1678 VanDerWaalsContact O-N 3.12Å; E1676-T1678 VanDerWaalsContact C-N 3.33Å; T1678-I1680 VanDerWaalsContact C-N 3.28Å; T1678-I1680 PolarHBondContact O-N 2.99Å; T1678-L1681 PolarHBondContact O-N 3.17Å; T1678-L1682 HydrophobicContact CG2-CD1 4.15Å; T1678-L1682 HydrophobicContact CG2-CG 4.36Å; T1678-L1682 WeakPolarHBondContact O-CG 3.34Å; T1678-L1682 PolarHBondContact O-N 3.21Å; T1678-L1772 HydrophobicContact CG2-CD1 4.38Å; T1678-V1776 HydrophobicContact CG2-CG2 3.72Å |
| 1679 | D | 94.9 | Very high | 93.1 | Very high | 72.4 Ų | 72.4 | 32.2 Ų | 32.2 | 39% | 0.387 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.6 | -30.4 | 176.8 | -75.3 | -37.7 | 0 | 0 | 0 | 113.3 | P1675 E1676 I1677 L1682 S1683 H1775 | P1675-D1679 PolarHBondContact O-N 3.29Å; E1676-D1679 PolarHBondContact O-N 3.24Å; I1677-D1679 VanDerWaalsContact C-N 3.33Å; I1677-D1679 PolarHBondContact O-N 2.77Å; D1679-L1682 PolarHBondContact O-N 3.15Å; D1679-S1683 VanDerWaalsContact O-CB 3.27Å; D1679-S1683 WeakPolarHBondContact O-CB 3.4Å; D1679-S1683 PolarHBondContact O-N 3.17Å; D1679-H1775 IonicContact OD1-CD2 3.1Å; D1679-H1775 IonicContact OD1-CE1 3.16Å; D1679-H1775 IonicContact OD1-NE2 3.26Å; D1679-H1775 PolarHBondContact OD1-NE2 3.18Å |
| 1680 | I | 95.7 | Very high | 92.5 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 21% | 0.205 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -49.8 | 174.1 | -58.5 | 172.2 | 0 | 0 | 0 | 109.9 | E1612 L1615 D1616 E1676 I1677 T1678 L1682 S1683 T1684 | E1612-I1680 HydrophobicContact CB-CD1 3.89Å; E1612-I1680 HydrophobicContact CG-CD1 3.69Å; L1615-I1680 HydrophobicContact CB-CB 4.27Å; L1615-I1680 HydrophobicContact CB-CG2 3.68Å; D1616-I1680 HydrophobicContact CB-CG2 4.42Å; E1676-I1680 PolarHBondContact O-N 3.25Å; I1677-I1680 HydrophobicContact CD1-CD1 4.36Å; I1677-I1680 WeakPolarHBondContact O-CB 3.36Å; I1677-I1680 PolarHBondContact O-N 3.19Å; T1678-I1680 VanDerWaalsContact C-N 3.28Å; T1678-I1680 PolarHBondContact O-N 2.99Å; I1680-L1682 VanDerWaalsContact C-N 3.35Å; I1680-L1682 PolarHBondContact O-N 3.05Å; I1680-S1683 WeakPolarHBondContact O-CB 3.41Å; I1680-S1683 PolarHBondContact O-N 3.03Å; I1680-S1683 VanDerWaalsContact O-N 3.11Å; I1680-T1684 PolarHBondContact O-N 3.12Å; I1680-T1684 PolarHBondContact O-OG1 3.01Å |
| 1681 | L | 96 | Very high | 91.1 | Very high | 0.8 Ų | 0.8 | 40.4 Ų | 40.4 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 177 | 179 | 131.7 | 0 | 0 | 0 | 111.6 | L1615 V1621 F1665 L1669 I1677 T1678 S1683 T1684 L1685 F1737 | L1615-L1681 HydrophobicContact CD2-CB 4.31Å; L1615-L1681 HydrophobicContact CD2-CD1 4.07Å; V1621-L1681 HydrophobicContact CB-CD1 4.26Å; V1621-L1681 HydrophobicContact CG1-CD1 3.88Å; V1621-L1681 HydrophobicContact CG1-CG 4.47Å; V1621-L1681 HydrophobicContact CG2-CD1 3.7Å; F1665-L1681 HydrophobicContact CE1-CD1 4.04Å; F1665-L1681 HydrophobicContact CE1-CD2 4.49Å; F1665-L1681 HydrophobicContact CZ-CD1 4.12Å; L1669-L1681 HydrophobicContact CD2-CD1 4.1Å; L1669-L1681 HydrophobicContact CD2-CD2 3.52Å; I1677-L1681 PolarHBondContact O-N 3.02Å; T1678-L1681 PolarHBondContact O-N 3.17Å; L1681-S1683 VanDerWaalsContact C-N 3.32Å; L1681-S1683 PolarHBondContact O-N 3.04Å; L1681-T1684 PolarHBondContact O-N 3.21Å; L1681-L1685 HydrophobicContact CD1-CD1 4.27Å; L1681-L1685 HydrophobicContact CD1-CG 4.28Å; L1681-L1685 HydrophobicContact CD2-CD1 3.65Å; L1681-L1685 HydrophobicContact CD2-CG 4.24Å; L1681-L1685 HydrophobicContact CG-CD1 4.39Å; L1681-L1685 WeakPolarHBondContact O-CG 3.35Å; L1681-L1685 PolarHBondContact O-N 3.22Å; L1681-F1737 HydrophobicContact CD1-CE2 4.44Å; L1681-F1737 HydrophobicContact CD2-CD1 4.16Å; L1681-F1737 HydrophobicContact CD2-CD2 4.38Å; L1681-F1737 HydrophobicContact CD2-CE1 3.74Å; L1681-F1737 HydrophobicContact CD2-CE2 3.85Å; L1681-F1737 HydrophobicContact CD2-CG 4.47Å; L1681-F1737 HydrophobicContact CD2-CZ 3.51Å; L1681-F1737 VanDerWaalsContact CD2-CZ 3.47Å |
| 1682 | L | 95.8 | Very high | 88.9 | Confident | 4.2 Ų | 4.2 | 47.2 Ų | 47.2 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 177 | -67.8 | 173.9 | 0 | 0 | 0 | 112.3 | T1678 D1679 I1680 T1684 N1686 F1737 V1776 L1780 | T1678-L1682 HydrophobicContact CG2-CD1 4.15Å; T1678-L1682 HydrophobicContact CG2-CG 4.36Å; T1678-L1682 WeakPolarHBondContact O-CG 3.34Å; T1678-L1682 PolarHBondContact O-N 3.21Å; D1679-L1682 PolarHBondContact O-N 3.15Å; I1680-L1682 VanDerWaalsContact C-N 3.35Å; I1680-L1682 PolarHBondContact O-N 3.05Å; L1682-T1684 VanDerWaalsContact C-N 3.34Å; L1682-N1686 VanDerWaalsContact O-CB 3.28Å; L1682-N1686 WeakPolarHBondContact O-CB 3.3Å; L1682-N1686 PolarHBondContact O-N 2.98Å; L1682-N1686 PolarHBondContact O-ND2 3.16Å; L1682-F1737 HydrophobicContact CD2-CE1 4.17Å; L1682-V1776 HydrophobicContact CD1-CG2 4.08Å; L1682-V1776 HydrophobicContact CD2-CB 4.44Å; L1682-V1776 HydrophobicContact CD2-CG1 4.16Å; L1682-V1776 HydrophobicContact CD2-CG2 4.28Å; L1682-L1780 HydrophobicContact CD2-CD1 3.79Å; L1682-L1780 HydrophobicContact CD2-CG 4.08Å |
| 1683 | S | 94.7 | Very high | 86.6 | Confident | 63.6 Ų | 63.6 | 48.5 Ų | 48.5 | 45% | 0.445 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 174.9 | -174 | 0 | 0 | 0 | 0 | 111.7 | D1679 I1680 L1681 L1685 N1686 R1687 | D1679-S1683 VanDerWaalsContact O-CB 3.27Å; D1679-S1683 WeakPolarHBondContact O-CB 3.4Å; D1679-S1683 PolarHBondContact O-N 3.17Å; I1680-S1683 WeakPolarHBondContact O-CB 3.41Å; I1680-S1683 PolarHBondContact O-N 3.03Å; I1680-S1683 VanDerWaalsContact O-N 3.11Å; L1681-S1683 VanDerWaalsContact C-N 3.32Å; L1681-S1683 PolarHBondContact O-N 3.04Å; S1683-L1685 PolarHBondContact O-N 3.01Å; S1683-N1686 PolarHBondContact O-N 2.92Å; S1683-R1687 VanDerWaalsContact O-CB 3.26Å; S1683-R1687 WeakPolarHBondContact O-CB 3.33Å; S1683-R1687 PolarHBondContact O-N 3.09Å; S1683-R1687 VanDerWaalsContact O-N 3.08Å |
| 1684 | T | 93.4 | Very high | 83.9 | Confident | 0.4 Ų | 0.4 | 53 Ų | 53 | 0% | 0.002 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 112 | L1615 D1616 P1618 V1621 I1680 L1681 L1682 R1687 C1688 | L1615-T1684 VanDerWaalsContact O-CB 3.31Å; L1615-T1684 WeakPolarHBondContact O-CB 3.37Å; L1615-T1684 PolarHBondContact O-OG1 3.11Å; D1616-T1684 WeakPolarHBondContact CA-OG1 3.41Å; P1618-T1684 HydrophobicContact CB-CG2 4.44Å; P1618-T1684 HydrophobicContact CG-CG2 4.27Å; V1621-T1684 HydrophobicContact CB-CG2 4.44Å; V1621-T1684 HydrophobicContact CG2-CG2 4.04Å; I1680-T1684 PolarHBondContact O-N 3.12Å; I1680-T1684 PolarHBondContact O-OG1 3.01Å; L1681-T1684 PolarHBondContact O-N 3.21Å; L1682-T1684 VanDerWaalsContact C-N 3.34Å; T1684-R1687 PolarHBondContact O-N 3.18Å; T1684-R1687 PolarHBondContact OG1-NH2 2.87Å; T1684-C1688 PolarHBondContact O-N 3.29Å; T1684-C1688 VanDerWaalsContact O-N 3.13Å; T1684-C1688 PolarHBondContact O-SG 3.05Å |
| 1685 | L | 94.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 176.7 | -70.7 | -178.9 | 0 | 0 | 0 | 111 | V1621 L1625 L1681 S1683 R1687 C1688 I1689 M1730 A1734 F1737 L1780 | V1621-L1685 HydrophobicContact CG1-CD2 3.73Å; V1621-L1685 HydrophobicContact CG1-CG 4.33Å; L1625-L1685 HydrophobicContact CD1-CD1 4.36Å; L1625-L1685 HydrophobicContact CD1-CD2 3.95Å; L1681-L1685 HydrophobicContact CD1-CD1 4.27Å; L1681-L1685 HydrophobicContact CD1-CG 4.28Å; L1681-L1685 HydrophobicContact CD2-CD1 3.65Å; L1681-L1685 HydrophobicContact CD2-CG 4.24Å; L1681-L1685 HydrophobicContact CG-CD1 4.39Å; L1681-L1685 WeakPolarHBondContact O-CG 3.35Å; L1681-L1685 PolarHBondContact O-N 3.22Å; S1683-L1685 PolarHBondContact O-N 3.01Å; L1685-R1687 VanDerWaalsContact C-N 3.32Å; L1685-R1687 PolarHBondContact O-N 3.29Å; L1685-C1688 PolarHBondContact O-N 3.24Å; L1685-C1688 VanDerWaalsContact O-N 3.12Å; L1685-I1689 HydrophobicContact CB-CD1 4.26Å; L1685-I1689 WeakPolarHBondContact O-CB 3.36Å; L1685-I1689 WeakPolarHBondContact O-CD1 3.32Å; L1685-I1689 VanDerWaalsContact O-CG1 3.25Å; L1685-I1689 WeakPolarHBondContact O-CG1 3.4Å; L1685-I1689 PolarHBondContact O-N 3.23Å; L1685-M1730 HydrophobicContact CD2-CE 3.71Å; L1685-A1734 HydrophobicContact CD1-CB 4.16Å; L1685-A1734 HydrophobicContact CD2-CB 4.3Å; L1685-F1737 HydrophobicContact CD1-CD1 3.91Å; L1685-F1737 HydrophobicContact CD1-CE1 4.33Å; L1685-L1780 HydrophobicContact CB-CD2 4.24Å; L1685-L1780 HydrophobicContact CD1-CD1 3.87Å |
| 1686 | N | 92.1 | Very high | 79.2 | Confident | 40.2 Ų | 40.2 | 59.1 Ų | 59.1 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 179.1 | -82.7 | -61.8 | 0 | 0 | 0 | 112.5 | L1682 S1683 C1688 I1689 I1690 S1779 L1780 | L1682-N1686 VanDerWaalsContact O-CB 3.28Å; L1682-N1686 WeakPolarHBondContact O-CB 3.3Å; L1682-N1686 PolarHBondContact O-N 2.98Å; L1682-N1686 PolarHBondContact O-ND2 3.16Å; S1683-N1686 PolarHBondContact O-N 2.92Å; N1686-C1688 VanDerWaalsContact C-N 3.29Å; N1686-C1688 PolarHBondContact O-N 2.97Å; N1686-I1689 PolarHBondContact O-N 3.22Å; N1686-I1690 HydrophobicContact CB-CD1 4.26Å; N1686-I1690 VanDerWaalsContact O-CB 3.28Å; N1686-I1690 WeakPolarHBondContact O-CB 3.36Å; N1686-I1690 WeakPolarHBondContact O-CD1 3.38Å; N1686-I1690 WeakPolarHBondContact O-CG1 3.31Å; N1686-I1690 PolarHBondContact O-N 3.17Å; N1686-S1779 PolarHBondContact ND2-O 3.03Å; N1686-S1779 PolarHBondContact ND2-OG 3.5Å; N1686-S1779 PolarHBondContact OD1-O 3.19Å; N1686-L1780 WeakPolarHBondContact OD1-CD2 3.49Å |
| 1687 | R | 91.4 | Very high | 76.6 | Confident | 110.4 Ų | 110.4 | 59.3 Ų | 59.3 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.3 | -43 | 175.7 | -179.6 | 176.7 | 63.7 | -156.2 | -5.2 | 112.2 | D1616 S1683 T1684 L1685 S1691 | D1616-R1687 PolarHBondContact O-NH2 3.26Å; D1616-R1687 IonicContact OD1-CZ 3.11Å; D1616-R1687 IonicContact OD1-NH1 3.02Å; D1616-R1687 PolarHBondContact OD1-NH1 2.94Å; D1616-R1687 IonicContact OD1-NH2 3.27Å; D1616-R1687 PolarHBondContact OD1-NH2 3.21Å; S1683-R1687 VanDerWaalsContact O-CB 3.26Å; S1683-R1687 WeakPolarHBondContact O-CB 3.33Å; S1683-R1687 PolarHBondContact O-N 3.09Å; S1683-R1687 VanDerWaalsContact O-N 3.08Å; T1684-R1687 PolarHBondContact O-N 3.18Å; T1684-R1687 PolarHBondContact OG1-NH2 2.87Å; L1685-R1687 VanDerWaalsContact C-N 3.32Å; L1685-R1687 PolarHBondContact O-N 3.29Å; R1687-S1691 VanDerWaalsContact O-CB 3.29Å; R1687-S1691 WeakPolarHBondContact O-CB 3.42Å; R1687-S1691 PolarHBondContact O-N 3.06Å; R1687-S1691 VanDerWaalsContact O-N 3.12Å; R1687-S1691 PolarHBondContact O-OG 3.42Å |
| 1688 | C | 88.9 | Confident | 74 | Confident | 14.2 Ų | 14.2 | 65.7 Ų | 65.7 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -84.4 | -26.1 | -175.5 | -61.1 | 0 | 0 | 0 | 0 | 113.9 | P1618 T1684 L1685 N1686 S1691 S1727 M1730 | P1618-C1688 VanDerWaalsContact CG-SG 3.55Å; P1618-C1688 WeakPolarHBondContact CG-SG 3.41Å; T1684-C1688 PolarHBondContact O-N 3.29Å; T1684-C1688 VanDerWaalsContact O-N 3.13Å; T1684-C1688 PolarHBondContact O-SG 3.05Å; L1685-C1688 PolarHBondContact O-N 3.24Å; L1685-C1688 VanDerWaalsContact O-N 3.12Å; N1686-C1688 VanDerWaalsContact C-N 3.29Å; N1686-C1688 PolarHBondContact O-N 2.97Å; C1688-S1691 WeakPolarHBondContact CA-OG 3.43Å; C1688-S1691 WeakPolarHBondContact O-CB 3.24Å; C1688-S1691 PolarHBondContact O-OG 2.97Å; C1688-S1727 WeakPolarHBondContact O-CB 3.31Å; C1688-M1730 HydrophobicContact CB-CB 4.27Å; C1688-M1730 HydrophobicContact CB-CE 3.81Å; C1688-M1730 HydrophobicContact CB-CG 3.93Å |
| 1689 | I | 88.1 | Confident | 71.3 | Confident | 38.4 Ų | 38.4 | 74.2 Ų | 74.2 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.3 | -42.3 | 174 | -65.8 | 159.6 | 0 | 0 | 0 | 110.4 | L1685 N1686 S1691 S1727 M1730 A1734 L1780 I1783 | L1685-I1689 HydrophobicContact CB-CD1 4.26Å; L1685-I1689 WeakPolarHBondContact O-CB 3.36Å; L1685-I1689 WeakPolarHBondContact O-CD1 3.32Å; L1685-I1689 VanDerWaalsContact O-CG1 3.25Å; L1685-I1689 WeakPolarHBondContact O-CG1 3.4Å; L1685-I1689 PolarHBondContact O-N 3.23Å; N1686-I1689 PolarHBondContact O-N 3.22Å; I1689-S1691 VanDerWaalsContact C-N 3.3Å; I1689-S1691 PolarHBondContact O-N 3.26Å; I1689-S1727 PolarHBondContact O-OG 2.81Å; I1689-M1730 HydrophobicContact CG1-CB 4.44Å; I1689-A1734 HydrophobicContact CD1-CB 3.85Å; I1689-L1780 HydrophobicContact CD1-CD2 4.17Å; I1689-I1783 HydrophobicContact CD1-CD1 3.79Å |
| 1690 | I | 81.9 | Confident | 68.4 | Low | 109.6 Ų | 109.6 | 79.1 Ų | 79.1 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -73.4 | -18.7 | -178.1 | -64.5 | 168.6 | 0 | 0 | 0 | 112.5 | N1686 F1692 | N1686-I1690 HydrophobicContact CB-CD1 4.26Å; N1686-I1690 VanDerWaalsContact O-CB 3.28Å; N1686-I1690 WeakPolarHBondContact O-CB 3.36Å; N1686-I1690 WeakPolarHBondContact O-CD1 3.38Å; N1686-I1690 WeakPolarHBondContact O-CG1 3.31Å; N1686-I1690 PolarHBondContact O-N 3.17Å; I1690-F1692 VanDerWaalsContact C-N 3.34Å; I1690-F1692 VanDerWaalsContact O-CD2 3.27Å; I1690-F1692 WeakPolarHBondContact O-CD2 3.4Å; I1690-F1692 PolarHBondContact O-N 3.13Å |
| 1691 | S | 65.3 | Low | 65.6 | Low | 65.6 Ų | 65.6 | 85.9 Ų | 85.9 | 46% | 0.459 | 43% | 0.431 | S | S | . | . | trans | -77.7 | 76.1 | -178.7 | 42.7 | 0 | 0 | 0 | 0 | 113.4 | R1687 C1688 I1689 | R1687-S1691 VanDerWaalsContact O-CB 3.29Å; R1687-S1691 WeakPolarHBondContact O-CB 3.42Å; R1687-S1691 PolarHBondContact O-N 3.06Å; R1687-S1691 VanDerWaalsContact O-N 3.12Å; R1687-S1691 PolarHBondContact O-OG 3.42Å; C1688-S1691 WeakPolarHBondContact CA-OG 3.43Å; C1688-S1691 WeakPolarHBondContact O-CB 3.24Å; C1688-S1691 PolarHBondContact O-OG 2.97Å; I1689-S1691 VanDerWaalsContact C-N 3.3Å; I1689-S1691 PolarHBondContact O-N 3.26Å | ||
| 1692 | F | 45.2 | Very low | 62.7 | Low | 163.8 Ų | 163.8 | 94.9 Ų | 94.9 | 72% | 0.718 | 47% | 0.47 | S | S | * | . | trans | -66.7 | 129.9 | 169.3 | -75.1 | -86.3 | 0 | 0 | 0 | 111.8 | I1690 S1694 | I1690-F1692 VanDerWaalsContact C-N 3.34Å; I1690-F1692 VanDerWaalsContact O-CD2 3.27Å; I1690-F1692 WeakPolarHBondContact O-CD2 3.4Å; I1690-F1692 PolarHBondContact O-N 3.13Å; F1692-S1694 VanDerWaalsContact C-N 3.3Å; F1692-S1694 PolarHBondContact O-N 3.18Å | ||
| 1693 | P | 45.4 | Very low | 59.8 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | trans | -74.8 | 90.3 | 177.7 | 31.4 | -35.6 | 0 | 0 | 0 | 111.5 | S1695 I1696 | P1693-S1695 PolarHBondContact O-N 3.16Å; P1693-S1695 VanDerWaalsContact O-N 3.07Å; P1693-I1696 HydrophobicContact CB-CD1 4.07Å; P1693-I1696 HydrophobicContact CB-CG1 4.29Å; P1693-I1696 HydrophobicContact CG-CD1 4.05Å; P1693-I1696 HydrophobicContact CG-CG1 4.16Å; P1693-I1696 PolarHBondContact O-N 3.14Å | ||
| 1694 | S | 35.9 | Very low | 56.9 | Low | 108.2 Ų | 108.2 | 105.5 Ų | 105.5 | 76% | 0.757 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 3.1 | 179.8 | 51 | 0 | 0 | 0 | 0 | 114.9 | F1692 | F1692-S1694 VanDerWaalsContact C-N 3.3Å; F1692-S1694 PolarHBondContact O-N 3.18Å |
| 1695 | S | 39.3 | Very low | 54.1 | Low | 67.4 Ų | 67.4 | 113.1 Ų | 113.1 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -94.1 | 1.7 | -177 | -166.4 | 0 | 0 | 0 | 0 | 114.5 | P1693 E1697 E1698 K1699 | P1693-S1695 PolarHBondContact O-N 3.16Å; P1693-S1695 VanDerWaalsContact O-N 3.07Å; S1695-E1697 VanDerWaalsContact C-N 3.32Å; S1695-E1697 PolarHBondContact O-N 3.13Å; S1695-E1697 PolarHBondContact OG-N 3.13Å; S1695-E1698 PolarHBondContact O-N 3.2Å; S1695-E1698 VanDerWaalsContact O-N 3.08Å; S1695-K1699 PolarHBondContact O-N 3.19Å; S1695-K1699 VanDerWaalsContact O-N 3.09Å |
| 1696 | I | 43.2 | Very low | 51.5 | Low | 137.6 Ų | 137.6 | 120.4 Ų | 120.4 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -28.1 | -178.3 | -67.1 | 177.7 | 0 | 0 | 0 | 112.1 | P1693 | P1693-I1696 HydrophobicContact CB-CD1 4.07Å; P1693-I1696 HydrophobicContact CB-CG1 4.29Å; P1693-I1696 HydrophobicContact CG-CD1 4.05Å; P1693-I1696 HydrophobicContact CG-CG1 4.16Å; P1693-I1696 PolarHBondContact O-N 3.14Å |
| 1697 | E | 38 | Very low | 49 | Very low | 119.6 Ų | 119.6 | 124.6 Ų | 124.6 | 56% | 0.559 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -35.4 | 176.9 | -69.3 | -146.1 | 150.6 | 0 | 0 | 114.3 | S1695 K1699 K1700 R1701 | S1695-E1697 VanDerWaalsContact C-N 3.32Å; S1695-E1697 PolarHBondContact O-N 3.13Å; S1695-E1697 PolarHBondContact OG-N 3.13Å; E1697-K1699 VanDerWaalsContact C-N 3.32Å; E1697-K1699 PolarHBondContact O-N 3.16Å; E1697-K1700 WeakPolarHBondContact O-CB 3.44Å; E1697-K1700 PolarHBondContact O-N 3.21Å; E1697-K1700 VanDerWaalsContact O-N 3.11Å; E1697-R1701 WeakPolarHBondContact O-CG 3.32Å; E1697-R1701 PolarHBondContact O-N 3.19Å; E1697-R1701 IonicContact OE2-CZ 2.72Å; E1697-R1701 IonicContact OE2-NE 3.27Å; E1697-R1701 PolarHBondContact OE2-NE 3.1Å; E1697-R1701 IonicContact OE2-NH2 3.02Å; E1697-R1701 PolarHBondContact OE2-NH2 3.16Å |
| 1698 | E | 40.1 | Very low | 46.5 | Very low | 139.6 Ų | 139.6 | 127 Ų | 127 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.5 | -35.6 | -176.3 | -67.9 | -159.2 | 130.1 | 0 | 0 | 112.5 | S1695 K1700 R1701 K1702 | S1695-E1698 PolarHBondContact O-N 3.2Å; S1695-E1698 VanDerWaalsContact O-N 3.08Å; E1698-K1700 PolarHBondContact O-N 3.01Å; E1698-K1700 VanDerWaalsContact O-N 3.13Å; E1698-R1701 PolarHBondContact O-N 3.08Å; E1698-R1701 VanDerWaalsContact O-N 3.14Å; E1698-K1702 PolarHBondContact O-N 3.38Å |
| 1699 | K | 37.3 | Very low | 44 | Very low | 178.6 Ų | 178.6 | 132.1 Ų | 132.1 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.4 | -16.9 | 176.6 | -144.5 | 172 | -172.8 | 177.8 | 0 | 113.1 | S1695 E1697 | S1695-K1699 PolarHBondContact O-N 3.19Å; S1695-K1699 VanDerWaalsContact O-N 3.09Å; E1697-K1699 VanDerWaalsContact C-N 3.32Å; E1697-K1699 PolarHBondContact O-N 3.16Å |
| 1700 | K | 35.5 | Very low | 41.3 | Very low | 174.8 Ų | 174.8 | 134.5 Ų | 134.5 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -97.6 | -24.2 | 177.7 | -161.5 | 170 | -175.5 | 175.2 | 0 | 113.4 | E1697 E1698 K1702 F1703 | E1697-K1700 WeakPolarHBondContact O-CB 3.44Å; E1697-K1700 PolarHBondContact O-N 3.21Å; E1697-K1700 VanDerWaalsContact O-N 3.11Å; E1698-K1700 PolarHBondContact O-N 3.01Å; E1698-K1700 VanDerWaalsContact O-N 3.13Å; K1700-K1702 VanDerWaalsContact C-N 3.31Å; K1700-K1702 PolarHBondContact O-N 2.92Å; K1700-F1703 PolarHBondContact O-N 3.15Å |
| 1701 | R | 36.1 | Very low | 39.1 | Very low | 182.2 Ų | 182.2 | 137 Ų | 137 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 2.3 | 179.2 | -64 | -178.7 | -171.8 | -157 | 6.3 | 114.3 | E1697 E1698 | E1697-R1701 WeakPolarHBondContact O-CG 3.32Å; E1697-R1701 PolarHBondContact O-N 3.19Å; E1697-R1701 IonicContact OE2-CZ 2.72Å; E1697-R1701 IonicContact OE2-NE 3.27Å; E1697-R1701 PolarHBondContact OE2-NE 3.1Å; E1697-R1701 IonicContact OE2-NH2 3.02Å; E1697-R1701 PolarHBondContact OE2-NH2 3.16Å; E1698-R1701 PolarHBondContact O-N 3.08Å; E1698-R1701 VanDerWaalsContact O-N 3.14Å |
| 1702 | K | 34.6 | Very low | 37.6 | Very low | 190.6 Ų | 190.6 | 139.6 Ų | 139.6 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 17.8 | 179 | -144.4 | 173.1 | -175.1 | 176.7 | 0 | 113.8 | E1698 K1700 | E1698-K1702 PolarHBondContact O-N 3.38Å; K1700-K1702 VanDerWaalsContact C-N 3.31Å; K1700-K1702 PolarHBondContact O-N 2.92Å |
| 1703 | F | 36 | Very low | 37.1 | Very low | 193.6 Ų | 193.6 | 137.2 Ų | 137.2 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -128.3 | 32.1 | -179 | -108.9 | -80.9 | 0 | 0 | 0 | 112.2 | K1700 | K1700-F1703 PolarHBondContact O-N 3.15Š|
| 1704 | S | 32.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -140.9 | 63.2 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1705 | D | 35.9 | Very low | 36.2 | Very low | 160.4 Ų | 160.4 | 141.6 Ų | 141.6 | 86% | 0.858 | 75% | 0.745 | S | S | * | * | trans | -145.7 | 114.2 | 156.8 | -159.3 | 7.5 | 0 | 0 | 0 | 108.1 | T1707 | D1705-T1707 PolarHBondContact O-N 3.41Š| ||
| 1706 | D | 38.1 | Very low | 35.8 | Very low | 153.2 Ų | 153.2 | 143 Ų | 143 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -93.4 | 106.4 | -167.5 | -86.8 | -51.6 | 0 | 0 | 0 | 111.6 | ||||
| 1707 | T | 40.9 | Very low | 35.3 | Very low | 128.6 Ų | 128.6 | 140.3 Ų | 140.3 | 79% | 0.789 | 75% | 0.749 | S | S | * | * | trans | -179.4 | 110.4 | 154.8 | -52 | 0 | 0 | 0 | 0 | 113.4 | D1705 | D1705-T1707 PolarHBondContact O-N 3.41Š| ||
| 1708 | L | 38.9 | Very low | 35.3 | Very low | 160.4 Ų | 160.4 | 141.5 Ų | 141.5 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | 171.7 | 150.8 | 146.5 | -81.4 | 170.8 | 0 | 0 | 0 | 111.5 | A1710 | L1708-A1710 HydrophobicContact CD2-CB 4.4Š| ||
| 1709 | P | 36.5 | Very low | 35.3 | Very low | 121.8 Ų | 121.8 | 138.8 Ų | 138.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -91.8 | 157.1 | 173.2 | 23.8 | -16.2 | 0 | 0 | 0 | 113.8 | ||||
| 1710 | A | 31.7 | Very low | 35.5 | Very low | 88.4 Ų | 88.4 | 137.6 Ų | 137.6 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | trans | -85.9 | 130.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1708 T1712 | L1708-A1710 HydrophobicContact CD2-CB 4.4Å; A1710-T1712 PolarHBondContact O-N 3.2Å | ||
| 1711 | D | 33.6 | Very low | 36 | Very low | 161.4 Ų | 161.4 | 135.9 Ų | 135.9 | 86% | 0.863 | 73% | 0.732 | S | S | * | * | trans | -167.6 | 76.1 | 154.8 | -85.7 | -31.8 | 0 | 0 | 0 | 112.1 | ||||
| 1712 | T | 35.1 | Very low | 36.8 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -158.6 | 124.5 | 160.5 | -26.9 | 0 | 0 | 0 | 0 | 112.3 | A1710 N1714 | A1710-T1712 PolarHBondContact O-N 3.2Å; T1712-N1714 PolarHBondContact O-N 3.36Å; T1712-N1714 VanDerWaalsContact O-N 3.08Å | ||
| 1713 | P | 34.7 | Very low | 38 | Very low | 112.4 Ų | 112.4 | 123 Ų | 123 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | trans | -79.6 | 116.9 | 170.1 | 30.7 | -31.5 | 0 | 0 | 0 | 110.9 | N1715 | P1713-N1715 VanDerWaalsContact C-N 3.31Å; P1713-N1715 PolarHBondContact O-N 3.05Å | ||
| 1714 | N | 30.8 | Very low | 39.8 | Very low | 143.6 Ų | 143.6 | 120 Ų | 120 | 77% | 0.768 | 67% | 0.67 | S | S | * | * | trans | -74.1 | 86.5 | -179 | -87.1 | -30.5 | 0 | 0 | 0 | 112.2 | T1712 S1716 | T1712-N1714 PolarHBondContact O-N 3.36Å; T1712-N1714 VanDerWaalsContact O-N 3.08Å; N1714-S1716 PolarHBondContact O-N 2.99Å; N1714-S1716 VanDerWaalsContact O-N 3.16Å | ||
| 1715 | N | 30.7 | Very low | 42.1 | Very low | 141 Ų | 141 | 116 Ų | 116 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | trans | -89.7 | 58.7 | 177 | -107.9 | -1.7 | 0 | 0 | 0 | 112.4 | P1713 F1718 | P1713-N1715 VanDerWaalsContact C-N 3.31Å; P1713-N1715 PolarHBondContact O-N 3.05Å; N1715-F1718 WeakPolarHBondContact OD1-CD2 3.08Å | ||
| 1716 | S | 31.3 | Very low | 44.4 | Very low | 98.2 Ų | 98.2 | 111.8 Ų | 111.8 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | trans | -133 | 48.9 | -177.9 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | N1714 | N1714-S1716 PolarHBondContact O-N 2.99Å; N1714-S1716 VanDerWaalsContact O-N 3.16Å | ||
| 1717 | S | 32.8 | Very low | 46.8 | Very low | 80.6 Ų | 80.6 | 105.9 Ų | 105.9 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | trans | -139.3 | 37.8 | 168.9 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | L1719 K1720 | S1717-L1719 VanDerWaalsContact C-N 3.28Å; S1717-L1719 PolarHBondContact O-N 3.15Å; S1717-L1719 VanDerWaalsContact O-N 3.15Å; S1717-K1720 PolarHBondContact O-N 3.1Å; S1717-K1720 VanDerWaalsContact OG-CE 3.22Å; S1717-K1720 WeakPolarHBondContact OG-CE 3.48Å; S1717-K1720 PolarHBondContact OG-NZ 3.16Å; S1717-K1720 VanDerWaalsContact OG-NZ 3.11Å | ||
| 1718 | F | 37.2 | Very low | 49 | Very low | 143.2 Ų | 143.2 | 103.3 Ų | 103.3 | 63% | 0.628 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -75 | -0.1 | -170.8 | -108.6 | -87.3 | 0 | 0 | 0 | 116.1 | S1396 P1410 S1411 N1715 | S1396-F1718 WeakPolarHBondContact O-CB 3.45Å; P1410-F1718 HydrophobicContact CG-CE1 3.84Å; P1410-F1718 HydrophobicContact CG-CZ 4.17Å; S1411-F1718 WeakPolarHBondContact OG-CE1 3.35Å; N1715-F1718 WeakPolarHBondContact OD1-CD2 3.08Å |
| 1719 | L | 41.4 | Very low | 51.5 | Low | 84.8 Ų | 84.8 | 99.4 Ų | 99.4 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -124.9 | 65.8 | 169.1 | -86.2 | 172.5 | 0 | 0 | 0 | 110.5 | R1393 S1396 E1397 S1717 Q1721 | R1393-L1719 HydrophobicContact CB-CD1 4.05Å; R1393-L1719 HydrophobicContact CG-CD1 3.87Å; S1396-L1719 VanDerWaalsContact CB-CD1 3.42Å; E1397-L1719 HydrophobicContact CG-CD1 4.14Å; S1717-L1719 VanDerWaalsContact C-N 3.28Å; S1717-L1719 PolarHBondContact O-N 3.15Å; S1717-L1719 VanDerWaalsContact O-N 3.15Å; L1719-Q1721 PolarHBondContact O-N 3.09Å; L1719-Q1721 VanDerWaalsContact O-N 3.07Å |
| 1720 | K | 40.9 | Very low | 54.1 | Low | 152.2 Ų | 152.2 | 93.6 Ų | 93.6 | 66% | 0.662 | 51% | 0.514 | S | S | * | . | trans | -74.3 | 96.2 | 170.3 | -105.5 | -176.9 | 169.4 | -174.3 | 0 | 110.8 | S1717 C1722 D1723 | S1717-K1720 PolarHBondContact O-N 3.1Å; S1717-K1720 VanDerWaalsContact OG-CE 3.22Å; S1717-K1720 WeakPolarHBondContact OG-CE 3.48Å; S1717-K1720 PolarHBondContact OG-NZ 3.16Å; S1717-K1720 VanDerWaalsContact OG-NZ 3.11Å; K1720-C1722 PolarHBondContact O-N 3.1Å; K1720-D1723 WeakPolarHBondContact CD-OD1 3.3Å; K1720-D1723 WeakPolarHBondContact CE-OD1 3.5Å; K1720-D1723 IonicContact NZ-OD1 2.91Å; K1720-D1723 PolarHBondContact NZ-OD1 3.25Å | ||
| 1721 | Q | 47 | Very low | 57 | Low | 139.2 Ų | 139.2 | 91.6 Ų | 91.6 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | trans | -43.8 | 117.4 | 157.7 | -172.9 | 173.5 | 11.3 | 0 | 0 | 111.5 | L1719 D1723 Y1724 | L1719-Q1721 PolarHBondContact O-N 3.09Å; L1719-Q1721 VanDerWaalsContact O-N 3.07Å; Q1721-D1723 PolarHBondContact O-N 2.94Å; Q1721-D1723 VanDerWaalsContact O-N 3.1Å; Q1721-Y1724 HydrophobicContact CG-CD2 4.29Å; Q1721-Y1724 HydrophobicContact CG-CE2 4.02Å | ||
| 1722 | C | 51 | Low | 59.8 | Low | 15 Ų | 15 | 88.3 Ų | 88.3 | 10% | 0.101 | 48% | 0.475 | C | S | . | . | trans | -52.1 | 119.7 | 176.7 | -108.5 | 0 | 0 | 0 | 0 | 110 | S1518 T1520 K1720 Y1724 | S1518-C1722 PolarHBondContact O-SG 3.18Å; T1520-C1722 VanDerWaalsContact C-SG 3.57Å; T1520-C1722 PolarHBondContact N-SG 3.02Å; T1520-C1722 VanDerWaalsContact N-SG 3.44Å; T1520-C1722 PolarHBondContact O-SG 2.92Å; K1720-C1722 PolarHBondContact O-N 3.1Å; C1722-Y1724 HydrophobicContact CB-CD2 4.46Å; C1722-Y1724 HydrophobicContact CB-CE2 4.18Å; C1722-Y1724 VanDerWaalsContact O-CD2 3.27Å; C1722-Y1724 WeakPolarHBondContact O-CD2 3.41Å; C1722-Y1724 PolarHBondContact O-N 3.12Å | ||
| 1723 | D | 60.9 | Low | 62.5 | Low | 88 Ų | 88 | 82.6 Ų | 82.6 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | trans | -59.5 | 102.3 | -172.6 | -61.1 | -77.5 | 0 | 0 | 0 | 109.1 | K1521 K1720 Q1721 | K1521-D1723 WeakPolarHBondContact CE-OD2 3.37Å; K1521-D1723 IonicContact NZ-OD2 3.21Å; K1521-D1723 PolarHBondContact NZ-OD2 2.97Å; K1720-D1723 WeakPolarHBondContact CD-OD1 3.3Å; K1720-D1723 WeakPolarHBondContact CE-OD1 3.5Å; K1720-D1723 IonicContact NZ-OD1 2.91Å; K1720-D1723 PolarHBondContact NZ-OD1 3.25Å; Q1721-D1723 PolarHBondContact O-N 2.94Å; Q1721-D1723 VanDerWaalsContact O-N 3.1Å | ||
| 1724 | Y | 73.3 | Confident | 65.4 | Low | 129 Ų | 129 | 77.2 Ų | 77.2 | 51% | 0.506 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 127.1 | -172.5 | -98.8 | -101.1 | 0 | 0 | 0 | 109.1 | P1618 Q1721 C1722 N1726 | P1618-Y1724 HydrophobicContact CB-CD1 4.34Å; P1618-Y1724 HydrophobicContact CB-CE1 4.26Å; P1618-Y1724 WeakPolarHBondContact CD-OH 3.42Å; P1618-Y1724 HydrophobicContact CG-CD1 4.31Å; P1618-Y1724 HydrophobicContact CG-CE1 3.99Å; Q1721-Y1724 HydrophobicContact CG-CD2 4.29Å; Q1721-Y1724 HydrophobicContact CG-CE2 4.02Å; C1722-Y1724 HydrophobicContact CB-CD2 4.46Å; C1722-Y1724 HydrophobicContact CB-CE2 4.18Å; C1722-Y1724 VanDerWaalsContact O-CD2 3.27Å; C1722-Y1724 WeakPolarHBondContact O-CD2 3.41Å; C1722-Y1724 PolarHBondContact O-N 3.12Å; Y1724-N1726 PolarHBondContact O-N 3Å |
| 1725 | P | 81.6 | Confident | 68.4 | Low | 14.4 Ų | 14.4 | 70.7 Ų | 70.7 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 134.2 | -175.3 | 27 | -36.1 | 0 | 0 | 0 | 110.1 | P1618 H1622 E1729 M1730 | P1618-P1725 HydrophobicContact CB-CG 4.25Å; H1622-P1725 HydrophobicContact CB-CB 3.97Å; H1622-P1725 HydrophobicContact CB-CG 3.79Å; P1725-E1729 VanDerWaalsContact CA-OE2 3.26Å; P1725-E1729 WeakPolarHBondContact CA-OE2 3.35Å; P1725-E1729 HydrophobicContact CB-CB 4.38Å; P1725-M1730 HydrophobicContact CB-CG 3.93Å; P1725-M1730 HydrophobicContact CB-SD 3.83Å; P1725-M1730 HydrophobicContact CG-CG 3.93Å; P1725-M1730 HydrophobicContact CG-SD 3.49Å; P1725-M1730 VanDerWaalsContact CG-SD 3.54Å; P1725-M1730 WeakPolarHBondContact CG-SD 3.39Å |
| 1726 | N | 85 | Confident | 71.4 | Confident | 71.4 Ų | 71.4 | 64.9 Ų | 64.9 | 38% | 0.382 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 165.7 | -175.1 | 80.7 | 57.3 | 0 | 0 | 0 | 111.4 | Y1724 V1728 E1729 M1730 | Y1724-N1726 PolarHBondContact O-N 3Å; N1726-V1728 VanDerWaalsContact C-N 3.3Å; N1726-V1728 PolarHBondContact O-N 3.01Å; N1726-V1728 VanDerWaalsContact O-N 3.14Å; N1726-V1728 WeakPolarHBondContact OD1-CA 3.26Å; N1726-V1728 VanDerWaalsContact OD1-CB 3.27Å; N1726-V1728 WeakPolarHBondContact OD1-CB 3.29Å; N1726-V1728 PolarHBondContact OD1-N 3.03Å; N1726-E1729 VanDerWaalsContact CG-CD 3.43Å; N1726-E1729 PolarHBondContact N-OE2 3.12Å; N1726-E1729 WeakPolarHBondContact ND2-CG 3.28Å; N1726-E1729 PolarHBondContact ND2-OE1 3.12Å; N1726-E1729 PolarHBondContact ND2-OE2 2.87Å; N1726-E1729 VanDerWaalsContact ND2-OE2 3.17Å; N1726-E1729 WeakPolarHBondContact O-CB 3.3Å; N1726-E1729 PolarHBondContact O-N 2.99Å; N1726-E1729 PolarHBondContact OD1-N 3.18Å; N1726-E1729 VanDerWaalsContact OD1-N 3.1Å; N1726-M1730 WeakPolarHBondContact O-CB 3.28Å; N1726-M1730 WeakPolarHBondContact O-CG 3.37Å; N1726-M1730 PolarHBondContact O-N 3.1Å |
| 1727 | S | 86.7 | Confident | 74.5 | Confident | 29.2 Ų | 29.2 | 60.2 Ų | 60.2 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -26.2 | -175.5 | 95.9 | 0 | 0 | 0 | 0 | 113.7 | C1688 I1689 T1731 | C1688-S1727 WeakPolarHBondContact O-CB 3.31Å; I1689-S1727 PolarHBondContact O-OG 2.81Å; S1727-T1731 VanDerWaalsContact O-CB 3.31Å; S1727-T1731 WeakPolarHBondContact O-CB 3.29Å; S1727-T1731 PolarHBondContact O-N 3.09Å; S1727-T1731 VanDerWaalsContact O-N 3.12Å; S1727-T1731 PolarHBondContact O-OG1 3.08Å |
| 1728 | V | 88.9 | Confident | 77.5 | Confident | 74.2 Ų | 74.2 | 56.3 Ų | 56.3 | 45% | 0.45 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -75.3 | -47.8 | 175 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | N1726 M1730 T1731 L1732 M1970 | N1726-V1728 VanDerWaalsContact C-N 3.3Å; N1726-V1728 PolarHBondContact O-N 3.01Å; N1726-V1728 VanDerWaalsContact O-N 3.14Å; N1726-V1728 WeakPolarHBondContact OD1-CA 3.26Å; N1726-V1728 VanDerWaalsContact OD1-CB 3.27Å; N1726-V1728 WeakPolarHBondContact OD1-CB 3.29Å; N1726-V1728 PolarHBondContact OD1-N 3.03Å; V1728-M1730 VanDerWaalsContact C-N 3.32Å; V1728-M1730 PolarHBondContact O-N 3.03Å; V1728-T1731 WeakPolarHBondContact O-CA 3.32Å; V1728-T1731 WeakPolarHBondContact O-CB 3.42Å; V1728-T1731 PolarHBondContact O-N 3.22Å; V1728-T1731 VanDerWaalsContact O-N 3.1Å; V1728-L1732 HydrophobicContact CG1-CD1 4.43Å; V1728-L1732 WeakPolarHBondContact O-CG 3.38Å; V1728-L1732 PolarHBondContact O-N 3.12Å; V1728-M1970 HydrophobicContact CG1-CE 4.09Å; V1728-M1970 HydrophobicContact CG1-SD 4.24Å; V1728-M1970 HydrophobicContact CG2-CE 4.23Å; V1728-M1970 HydrophobicContact CG2-SD 3.97Å |
| 1729 | E | 89.7 | Confident | 80.2 | Confident | 79.2 Ų | 79.2 | 51.6 Ų | 51.6 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.1 | -47.2 | 171.9 | -78.8 | 159.2 | -162.9 | 0 | 0 | 111.5 | P1725 N1726 T1731 L1732 A1733 | P1725-E1729 VanDerWaalsContact CA-OE2 3.26Å; P1725-E1729 WeakPolarHBondContact CA-OE2 3.35Å; P1725-E1729 HydrophobicContact CB-CB 4.38Å; N1726-E1729 VanDerWaalsContact CG-CD 3.43Å; N1726-E1729 PolarHBondContact N-OE2 3.12Å; N1726-E1729 WeakPolarHBondContact ND2-CG 3.28Å; N1726-E1729 PolarHBondContact ND2-OE1 3.12Å; N1726-E1729 PolarHBondContact ND2-OE2 2.87Å; N1726-E1729 VanDerWaalsContact ND2-OE2 3.17Å; N1726-E1729 WeakPolarHBondContact O-CB 3.3Å; N1726-E1729 PolarHBondContact O-N 2.99Å; N1726-E1729 PolarHBondContact OD1-N 3.18Å; N1726-E1729 VanDerWaalsContact OD1-N 3.1Å; E1729-T1731 VanDerWaalsContact C-N 3.31Å; E1729-T1731 PolarHBondContact O-N 3.05Å; E1729-L1732 PolarHBondContact O-N 3.11Å; E1729-L1732 VanDerWaalsContact O-N 3.15Å; E1729-A1733 WeakPolarHBondContact O-CB 3.35Å; E1729-A1733 PolarHBondContact O-N 3.06Å |
| 1730 | M | 92.2 | Very high | 82.8 | Confident | 0.2 Ų | 0.2 | 47.6 Ų | 47.6 | 0% | 0.001 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -29.9 | 176.2 | -70.6 | -61.6 | -68.3 | 0 | 0 | 113.3 | P1618 V1621 H1622 L1685 C1688 I1689 P1725 N1726 V1728 A1734 | P1618-M1730 HydrophobicContact CB-CE 4.4Å; V1621-M1730 HydrophobicContact CG1-CE 4.42Å; H1622-M1730 HydrophobicContact CB-SD 3.86Å; L1685-M1730 HydrophobicContact CD2-CE 3.71Å; C1688-M1730 HydrophobicContact CB-CB 4.27Å; C1688-M1730 HydrophobicContact CB-CE 3.81Å; C1688-M1730 HydrophobicContact CB-CG 3.93Å; I1689-M1730 HydrophobicContact CG1-CB 4.44Å; P1725-M1730 HydrophobicContact CB-CG 3.93Å; P1725-M1730 HydrophobicContact CB-SD 3.83Å; P1725-M1730 HydrophobicContact CG-CG 3.93Å; P1725-M1730 HydrophobicContact CG-SD 3.49Å; P1725-M1730 VanDerWaalsContact CG-SD 3.54Å; P1725-M1730 WeakPolarHBondContact CG-SD 3.39Å; N1726-M1730 WeakPolarHBondContact O-CB 3.28Å; N1726-M1730 WeakPolarHBondContact O-CG 3.37Å; N1726-M1730 PolarHBondContact O-N 3.1Å; V1728-M1730 VanDerWaalsContact C-N 3.32Å; V1728-M1730 PolarHBondContact O-N 3.03Å; M1730-A1734 VanDerWaalsContact O-CB 3.28Å; M1730-A1734 WeakPolarHBondContact O-CB 3.28Å; M1730-A1734 PolarHBondContact O-N 3.08Å |
| 1731 | T | 92.4 | Very high | 85.4 | Confident | 44.8 Ų | 44.8 | 40.3 Ų | 40.3 | 28% | 0.275 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71 | -41.5 | 173 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | S1727 V1728 E1729 A1734 A1735 I1783 M1970 | S1727-T1731 VanDerWaalsContact O-CB 3.31Å; S1727-T1731 WeakPolarHBondContact O-CB 3.29Å; S1727-T1731 PolarHBondContact O-N 3.09Å; S1727-T1731 VanDerWaalsContact O-N 3.12Å; S1727-T1731 PolarHBondContact O-OG1 3.08Å; V1728-T1731 WeakPolarHBondContact O-CA 3.32Å; V1728-T1731 WeakPolarHBondContact O-CB 3.42Å; V1728-T1731 PolarHBondContact O-N 3.22Å; V1728-T1731 VanDerWaalsContact O-N 3.1Å; E1729-T1731 VanDerWaalsContact C-N 3.31Å; E1729-T1731 PolarHBondContact O-N 3.05Å; T1731-A1734 PolarHBondContact O-N 3.22Å; T1731-A1735 WeakPolarHBondContact O-CB 3.37Å; T1731-A1735 PolarHBondContact O-N 3.11Å; T1731-I1783 HydrophobicContact CG2-CD1 3.96Å; T1731-I1783 HydrophobicContact CG2-CG1 4.36Å; T1731-M1970 HydrophobicContact CG2-CE 3.98Å; T1731-M1970 HydrophobicContact CG2-SD 3.95Å |
| 1732 | L | 91.6 | Very high | 87.7 | Confident | 93.4 Ų | 93.4 | 34 Ų | 34 | 49% | 0.489 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 174.8 | -67.1 | 171.5 | 0 | 0 | 0 | 111.9 | V1728 E1729 A1734 A1735 R1736 A1966 | V1728-L1732 HydrophobicContact CG1-CD1 4.43Å; V1728-L1732 WeakPolarHBondContact O-CG 3.38Å; V1728-L1732 PolarHBondContact O-N 3.12Å; E1729-L1732 PolarHBondContact O-N 3.11Å; E1729-L1732 VanDerWaalsContact O-N 3.15Å; L1732-A1734 PolarHBondContact O-N 3.28Å; L1732-A1735 WeakPolarHBondContact O-CB 3.39Å; L1732-A1735 PolarHBondContact O-N 3.24Å; L1732-R1736 WeakPolarHBondContact O-CB 3.5Å; L1732-R1736 PolarHBondContact O-N 3.27Å; L1732-A1966 HydrophobicContact CD2-CB 3.98Å |
| 1733 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1625 T1626 E1729 A1735 R1736 F1737 | L1625-A1733 HydrophobicContact CB-CB 3.86Å; L1625-A1733 HydrophobicContact CD1-CB 4.21Å; T1626-A1733 HydrophobicContact CG2-CB 4.02Å; E1729-A1733 WeakPolarHBondContact O-CB 3.35Å; E1729-A1733 PolarHBondContact O-N 3.06Å; A1733-A1735 VanDerWaalsContact C-N 3.32Å; A1733-A1735 PolarHBondContact O-N 3.25Å; A1733-R1736 PolarHBondContact O-N 3.16Å; A1733-F1737 WeakPolarHBondContact O-CB 3.46Å; A1733-F1737 PolarHBondContact O-N 3.16Å |
| 1734 | A | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1685 I1689 M1730 T1731 L1732 F1737 I1738 I1783 | L1685-A1734 HydrophobicContact CD1-CB 4.16Å; L1685-A1734 HydrophobicContact CD2-CB 4.3Å; I1689-A1734 HydrophobicContact CD1-CB 3.85Å; M1730-A1734 VanDerWaalsContact O-CB 3.28Å; M1730-A1734 WeakPolarHBondContact O-CB 3.28Å; M1730-A1734 PolarHBondContact O-N 3.08Å; T1731-A1734 PolarHBondContact O-N 3.22Å; L1732-A1734 PolarHBondContact O-N 3.28Å; A1734-F1737 WeakPolarHBondContact O-CB 3.37Å; A1734-F1737 PolarHBondContact O-N 3.15Å; A1734-I1738 WeakPolarHBondContact O-CB 3.39Å; A1734-I1738 VanDerWaalsContact O-CG1 3.29Å; A1734-I1738 WeakPolarHBondContact O-CG1 3.37Å; A1734-I1738 PolarHBondContact O-N 3.24Å; A1734-I1783 HydrophobicContact CB-CD1 3.63Å |
| 1735 | A | 94 | Very high | 92.2 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1731 L1732 A1733 F1737 I1738 R1739 I1783 E1787 | T1731-A1735 WeakPolarHBondContact O-CB 3.37Å; T1731-A1735 PolarHBondContact O-N 3.11Å; L1732-A1735 WeakPolarHBondContact O-CB 3.39Å; L1732-A1735 PolarHBondContact O-N 3.24Å; A1733-A1735 VanDerWaalsContact C-N 3.32Å; A1733-A1735 PolarHBondContact O-N 3.25Å; A1735-F1737 VanDerWaalsContact C-N 3.33Å; A1735-F1737 PolarHBondContact O-N 3.18Å; A1735-I1738 WeakPolarHBondContact O-CB 3.48Å; A1735-I1738 PolarHBondContact O-N 2.93Å; A1735-R1739 WeakPolarHBondContact O-CG 3.34Å; A1735-R1739 PolarHBondContact O-N 3.1Å; A1735-R1739 VanDerWaalsContact O-N 3.1Å; A1735-I1783 HydrophobicContact CB-CG2 3.98Å; A1735-E1787 HydrophobicContact CB-CG 4.23Å; A1735-E1787 WeakPolarHBondContact CB-OE1 3.25Å |
| 1736 | R | 93.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 173.7 | -84.9 | -173 | 83.4 | -159 | 2.1 | 112.2 | L1625 T1626 L1627 D1628 S1629 G1658 L1662 L1732 A1733 I1738 R1739 S1740 E1959 | L1625-R1736 WeakPolarHBondContact O-CD 3.39Å; L1625-R1736 PolarHBondContact O-NE 2.98Å; L1625-R1736 PolarHBondContact O-NH1 3.15Å; T1626-R1736 PolarHBondContact O-NH1 3.35Å; L1627-R1736 VanDerWaalsContact O-CZ 3.28Å; L1627-R1736 PolarHBondContact O-NH1 3.39Å; L1627-R1736 PolarHBondContact O-NH2 2.96Å; D1628-R1736 PolarHBondContact O-NH1 3.24Å; S1629-R1736 PolarHBondContact OG-NH1 3.17Å; G1658-R1736 PolarHBondContact O-NH2 3.05Å; L1662-R1736 HydrophobicContact CD2-CB 4.1Å; L1662-R1736 HydrophobicContact CD2-CG 3.88Å; L1732-R1736 WeakPolarHBondContact O-CB 3.5Å; L1732-R1736 PolarHBondContact O-N 3.27Å; A1733-R1736 PolarHBondContact O-N 3.16Å; R1736-I1738 PolarHBondContact O-N 3.03Å; R1736-R1739 PolarHBondContact O-N 3.34Å; R1736-S1740 PolarHBondContact O-N 3.16Å; R1736-S1740 VanDerWaalsContact O-N 3.09Å; R1736-E1959 IonicContact CZ-OE2 3.22Å; R1736-E1959 IonicContact NE-OE2 3.2Å; R1736-E1959 PolarHBondContact NE-OE2 3.13Å; R1736-E1959 IonicContact NH2-OE2 3.17Å; R1736-E1959 PolarHBondContact NH2-OE2 2.97Å |
| 1737 | F | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.4 | -51.6 | 172 | 175.4 | -118.5 | 0 | 0 | 0 | 111.7 | L1625 V1666 L1669 L1681 L1682 L1685 A1733 A1734 A1735 R1739 S1740 V1741 V1776 L1780 | L1625-F1737 HydrophobicContact CD1-CB 4.01Å; L1625-F1737 HydrophobicContact CD2-CB 3.76Å; L1625-F1737 HydrophobicContact CD2-CD2 3.96Å; L1625-F1737 HydrophobicContact CD2-CG 4.21Å; L1625-F1737 HydrophobicContact CG-CB 4.48Å; V1666-F1737 HydrophobicContact CG1-CD2 4.47Å; V1666-F1737 HydrophobicContact CG1-CE2 4.06Å; V1666-F1737 HydrophobicContact CG2-CD2 3.69Å; V1666-F1737 HydrophobicContact CG2-CE2 3.78Å; L1669-F1737 HydrophobicContact CD2-CE2 4.47Å; L1681-F1737 HydrophobicContact CD1-CE2 4.44Å; L1681-F1737 HydrophobicContact CD2-CD1 4.16Å; L1681-F1737 HydrophobicContact CD2-CD2 4.38Å; L1681-F1737 HydrophobicContact CD2-CE1 3.74Å; L1681-F1737 HydrophobicContact CD2-CE2 3.85Å; L1681-F1737 HydrophobicContact CD2-CG 4.47Å; L1681-F1737 HydrophobicContact CD2-CZ 3.51Å; L1681-F1737 VanDerWaalsContact CD2-CZ 3.47Å; L1682-F1737 HydrophobicContact CD2-CE1 4.17Å; L1685-F1737 HydrophobicContact CD1-CD1 3.91Å; L1685-F1737 HydrophobicContact CD1-CE1 4.33Å; A1733-F1737 WeakPolarHBondContact O-CB 3.46Å; A1733-F1737 PolarHBondContact O-N 3.16Å; A1734-F1737 WeakPolarHBondContact O-CB 3.37Å; A1734-F1737 PolarHBondContact O-N 3.15Å; A1735-F1737 VanDerWaalsContact C-N 3.33Å; A1735-F1737 PolarHBondContact O-N 3.18Å; F1737-R1739 VanDerWaalsContact C-N 3.31Å; F1737-R1739 PolarHBondContact O-N 3.07Å; F1737-S1740 WeakPolarHBondContact O-CA 3.45Å; F1737-S1740 VanDerWaalsContact O-CB 3.27Å; F1737-S1740 WeakPolarHBondContact O-CB 3.33Å; F1737-S1740 PolarHBondContact O-N 3.1Å; F1737-S1740 VanDerWaalsContact O-N 3.11Å; F1737-V1741 HydrophobicContact CD1-CG2 4.25Å; F1737-V1741 HydrophobicContact CD2-CG2 4.01Å; F1737-V1741 HydrophobicContact CE1-CG2 3.96Å; F1737-V1741 HydrophobicContact CE2-CG2 3.69Å; F1737-V1741 HydrophobicContact CG-CG2 4.27Å; F1737-V1741 HydrophobicContact CZ-CG2 3.66Å; F1737-V1741 VanDerWaalsContact O-CG2 3.26Å; F1737-V1741 WeakPolarHBondContact O-CG2 3.26Å; F1737-V1741 PolarHBondContact O-N 3.13Å; F1737-V1776 HydrophobicContact CD1-CG1 4.45Å; F1737-V1776 HydrophobicContact CE1-CG1 3.58Å; F1737-V1776 HydrophobicContact CZ-CG1 4.03Å; F1737-L1780 HydrophobicContact CD1-CD1 4.02Å; F1737-L1780 HydrophobicContact CE1-CD1 4.14Å |
| 1738 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -38 | 179.9 | -71.1 | -69.2 | 0 | 0 | 0 | 112.3 | A1734 A1735 R1736 S1740 V1741 A1742 V1776 F1777 L1780 I1783 A1784 E1787 | A1734-I1738 WeakPolarHBondContact O-CB 3.39Å; A1734-I1738 VanDerWaalsContact O-CG1 3.29Å; A1734-I1738 WeakPolarHBondContact O-CG1 3.37Å; A1734-I1738 PolarHBondContact O-N 3.24Å; A1735-I1738 WeakPolarHBondContact O-CB 3.48Å; A1735-I1738 PolarHBondContact O-N 2.93Å; R1736-I1738 PolarHBondContact O-N 3.03Å; I1738-S1740 VanDerWaalsContact C-N 3.32Å; I1738-S1740 PolarHBondContact O-N 3.12Å; I1738-V1741 PolarHBondContact O-N 3.28Å; I1738-A1742 VanDerWaalsContact O-CB 3.27Å; I1738-A1742 WeakPolarHBondContact O-CB 3.35Å; I1738-A1742 PolarHBondContact O-N 3.11Å; I1738-V1776 HydrophobicContact CD1-CG1 3.96Å; I1738-F1777 HydrophobicContact CD1-CD1 3.99Å; I1738-F1777 HydrophobicContact CD1-CE1 4.39Å; I1738-F1777 HydrophobicContact CG2-CD1 4.43Å; I1738-F1777 HydrophobicContact CG2-CE1 4.42Å; I1738-L1780 HydrophobicContact CD1-CB 4.07Å; I1738-L1780 HydrophobicContact CD1-CD1 4.05Å; I1738-L1780 HydrophobicContact CG1-CB 4.49Å; I1738-L1780 HydrophobicContact CG1-CD1 4.32Å; I1738-I1783 HydrophobicContact CG1-CG2 4.34Å; I1738-A1784 HydrophobicContact CD1-CB 4.35Å; I1738-A1784 HydrophobicContact CG2-CB 4.31Å; I1738-E1787 HydrophobicContact CB-CG 4.41Å; I1738-E1787 HydrophobicContact CG2-CB 3.78Å; I1738-E1787 HydrophobicContact CG2-CG 4.15Å |
| 1739 | R | 94.7 | Very high | 93 | Very high | 43.8 Ų | 43.8 | 19.4 Ų | 19.4 | 17% | 0.165 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 173.7 | -67.3 | 173.1 | -155.6 | 144.7 | 10.6 | 112.2 | A1735 R1736 F1737 A1742 R1743 E1787 L1791 | A1735-R1739 WeakPolarHBondContact O-CG 3.34Å; A1735-R1739 PolarHBondContact O-N 3.1Å; A1735-R1739 VanDerWaalsContact O-N 3.1Å; R1736-R1739 PolarHBondContact O-N 3.34Å; F1737-R1739 VanDerWaalsContact C-N 3.31Å; F1737-R1739 PolarHBondContact O-N 3.07Å; R1739-A1742 PolarHBondContact O-N 3.26Å; R1739-R1743 WeakPolarHBondContact O-CG 3.25Å; R1739-R1743 PolarHBondContact O-N 3.18Å; R1739-R1743 PolarHBondContact O-NH1 2.92Å; R1739-E1787 WeakPolarHBondContact CD-OE2 3.39Å; R1739-E1787 VanDerWaalsContact CG-OE2 3.28Å; R1739-E1787 WeakPolarHBondContact CG-OE2 3.36Å; R1739-E1787 IonicContact CZ-OE1 3.39Å; R1739-E1787 IonicContact CZ-OE2 3.27Å; R1739-E1787 VanDerWaalsContact CZ-OE2 3.27Å; R1739-E1787 IonicContact NE-OE1 3.1Å; R1739-E1787 IonicContact NE-OE2 3.45Å; R1739-E1787 PolarHBondContact NE-OE2 3.01Å; R1739-E1787 VanDerWaalsContact NH2-CD 3.32Å; R1739-E1787 IonicContact NH2-OE1 3.1Å; R1739-E1787 PolarHBondContact NH2-OE1 3.31Å; R1739-E1787 IonicContact NH2-OE2 3.33Å; R1739-E1787 PolarHBondContact NH2-OE2 2.89Å; R1739-L1791 HydrophobicContact CB-CD1 4.21Å; R1739-L1791 HydrophobicContact CB-CD2 4.45Å; R1739-L1791 HydrophobicContact CG-CD1 4.23Å; R1739-L1791 HydrophobicContact CG-CD2 4.36Å |
| 1740 | S | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.6 | -48.3 | 175.6 | -175 | 0 | 0 | 0 | 0 | 112.3 | D1663 V1666 R1736 F1737 I1738 A1742 R1743 I1744 | D1663-S1740 WeakPolarHBondContact CA-OG 3.35Å; D1663-S1740 WeakPolarHBondContact OD1-CA 3.26Å; D1663-S1740 VanDerWaalsContact OD1-CB 3.22Å; D1663-S1740 WeakPolarHBondContact OD1-CB 3.37Å; D1663-S1740 PolarHBondContact OD1-OG 3Å; V1666-S1740 WeakPolarHBondContact CB-OG 3.38Å; V1666-S1740 WeakPolarHBondContact CG2-OG 3.37Å; R1736-S1740 PolarHBondContact O-N 3.16Å; R1736-S1740 VanDerWaalsContact O-N 3.09Å; F1737-S1740 WeakPolarHBondContact O-CA 3.45Å; F1737-S1740 VanDerWaalsContact O-CB 3.27Å; F1737-S1740 WeakPolarHBondContact O-CB 3.33Å; F1737-S1740 PolarHBondContact O-N 3.1Å; F1737-S1740 VanDerWaalsContact O-N 3.11Å; I1738-S1740 VanDerWaalsContact C-N 3.32Å; I1738-S1740 PolarHBondContact O-N 3.12Å; S1740-A1742 PolarHBondContact O-N 3.01Å; S1740-R1743 WeakPolarHBondContact O-CB 3.34Å; S1740-R1743 PolarHBondContact O-N 3.17Å; S1740-R1743 VanDerWaalsContact O-N 3.11Å; S1740-I1744 PolarHBondContact O-N 3.13Å; S1740-I1744 VanDerWaalsContact O-N 3.1Å |
| 1741 | V | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57 | -38.3 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | V1666 I1670 F1737 I1738 I1744 Y1745 C1773 V1776 F1777 | V1666-V1741 HydrophobicContact CG1-CB 4.46Å; V1666-V1741 HydrophobicContact CG1-CG2 3.66Å; I1670-V1741 HydrophobicContact CD1-CB 4.38Å; I1670-V1741 HydrophobicContact CD1-CG1 3.86Å; I1670-V1741 HydrophobicContact CD1-CG2 4.05Å; F1737-V1741 HydrophobicContact CD1-CG2 4.25Å; F1737-V1741 HydrophobicContact CD2-CG2 4.01Å; F1737-V1741 HydrophobicContact CE1-CG2 3.96Å; F1737-V1741 HydrophobicContact CE2-CG2 3.69Å; F1737-V1741 HydrophobicContact CG-CG2 4.27Å; F1737-V1741 HydrophobicContact CZ-CG2 3.66Å; F1737-V1741 VanDerWaalsContact O-CG2 3.26Å; F1737-V1741 WeakPolarHBondContact O-CG2 3.26Å; F1737-V1741 PolarHBondContact O-N 3.13Å; I1738-V1741 PolarHBondContact O-N 3.28Å; V1741-I1744 PolarHBondContact O-N 2.93Å; V1741-Y1745 VanDerWaalsContact O-CB 3.24Å; V1741-Y1745 WeakPolarHBondContact O-CB 3.36Å; V1741-Y1745 PolarHBondContact O-N 3.24Å; V1741-C1773 HydrophobicContact CG1-CB 4.32Å; V1741-V1776 HydrophobicContact CB-CG1 4.38Å; V1741-V1776 HydrophobicContact CG1-CB 4.24Å; V1741-V1776 HydrophobicContact CG1-CG1 3.89Å; V1741-V1776 HydrophobicContact CG2-CG1 3.91Å; V1741-F1777 HydrophobicContact CB-CE1 4Å; V1741-F1777 HydrophobicContact CB-CZ 4.41Å; V1741-F1777 HydrophobicContact CG1-CD1 4.33Å; V1741-F1777 HydrophobicContact CG1-CE1 3.56Å; V1741-F1777 VanDerWaalsContact CG1-CE1 3.49Å; V1741-F1777 HydrophobicContact CG1-CE2 4.48Å; V1741-F1777 HydrophobicContact CG1-CZ 3.71Å |
| 1742 | A | 95.6 | Very high | 92.1 | Very high | 6.8 Ų | 6.8 | 18.7 Ų | 18.7 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1738 R1739 S1740 I1744 Y1745 A1746 F1777 L1788 L1791 | I1738-A1742 VanDerWaalsContact O-CB 3.27Å; I1738-A1742 WeakPolarHBondContact O-CB 3.35Å; I1738-A1742 PolarHBondContact O-N 3.11Å; R1739-A1742 PolarHBondContact O-N 3.26Å; S1740-A1742 PolarHBondContact O-N 3.01Å; A1742-I1744 VanDerWaalsContact C-N 3.33Å; A1742-I1744 PolarHBondContact O-N 2.94Å; A1742-Y1745 PolarHBondContact O-N 3.15Å; A1742-A1746 VanDerWaalsContact O-CB 3.31Å; A1742-A1746 WeakPolarHBondContact O-CB 3.27Å; A1742-A1746 PolarHBondContact O-N 3.05Å; A1742-F1777 HydrophobicContact CB-CE1 4.3Å; A1742-F1777 HydrophobicContact CB-CZ 4.2Å; A1742-L1788 HydrophobicContact CB-CD2 3.74Å; A1742-L1791 HydrophobicContact CB-CD1 3.52Å; A1742-L1791 VanDerWaalsContact CB-CD1 3.45Å |
| 1743 | R | 92.5 | Very high | 91.6 | Very high | 17.2 Ų | 17.2 | 15.8 Ų | 15.8 | 7% | 0.065 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 169.7 | -75.8 | -173 | -72.6 | -95.1 | 2.8 | 110.8 | D1663 R1739 S1740 A1746 S1747 I1955 E1959 | D1663-R1743 VanDerWaalsContact CG-NE 3.31Å; D1663-R1743 VanDerWaalsContact CG-NH2 3.31Å; D1663-R1743 IonicContact OD1-CZ 3.29Å; D1663-R1743 VanDerWaalsContact OD1-CZ 3.28Å; D1663-R1743 IonicContact OD1-NE 3.15Å; D1663-R1743 PolarHBondContact OD1-NE 3.19Å; D1663-R1743 VanDerWaalsContact OD1-NE 3.11Å; D1663-R1743 IonicContact OD1-NH2 3.08Å; D1663-R1743 PolarHBondContact OD1-NH2 3.3Å; D1663-R1743 WeakPolarHBondContact OD2-CD 3.37Å; D1663-R1743 IonicContact OD2-CZ 3.55Å; D1663-R1743 VanDerWaalsContact OD2-CZ 3.32Å; D1663-R1743 IonicContact OD2-NE 3.28Å; D1663-R1743 PolarHBondContact OD2-NE 3.04Å; D1663-R1743 VanDerWaalsContact OD2-NE 3.07Å; D1663-R1743 IonicContact OD2-NH2 3.14Å; D1663-R1743 PolarHBondContact OD2-NH2 2.86Å; D1663-R1743 VanDerWaalsContact OD2-NH2 3.13Å; R1739-R1743 WeakPolarHBondContact O-CG 3.25Å; R1739-R1743 PolarHBondContact O-N 3.18Å; R1739-R1743 PolarHBondContact O-NH1 2.92Å; S1740-R1743 WeakPolarHBondContact O-CB 3.34Å; S1740-R1743 PolarHBondContact O-N 3.17Å; S1740-R1743 VanDerWaalsContact O-N 3.11Å; R1743-A1746 WeakPolarHBondContact O-CB 3.26Å; R1743-A1746 PolarHBondContact O-N 3.19Å; R1743-S1747 WeakPolarHBondContact O-CB 3.2Å; R1743-S1747 PolarHBondContact O-N 3.1Å; R1743-S1747 VanDerWaalsContact O-N 3.09Å; R1743-S1747 PolarHBondContact O-OG 3.08Å; R1743-S1747 VanDerWaalsContact O-OG 3.08Å; R1743-I1955 HydrophobicContact CG-CB 4Å; R1743-I1955 HydrophobicContact CG-CD1 4.03Å; R1743-I1955 HydrophobicContact CG-CG2 3.36Å; R1743-I1955 VanDerWaalsContact CG-CG2 3.43Å; R1743-E1959 IonicContact CZ-OE1 3.1Å; R1743-E1959 IonicContact NH1-OE1 3.52Å; R1743-E1959 PolarHBondContact NH1-OE1 3.06Å; R1743-E1959 IonicContact NH2-OE1 3.36Å; R1743-E1959 PolarHBondContact NH2-OE1 3.33Å |
| 1744 | I | 92.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 178.6 | -67.4 | 155 | 0 | 0 | 0 | 111.1 | V1666 F1667 S1740 V1741 A1742 A1746 S1747 L1748 L1823 | V1666-I1744 HydrophobicContact CB-CD1 3.81Å; V1666-I1744 HydrophobicContact CG1-CD1 3.59Å; F1667-I1744 HydrophobicContact CB-CD1 4Å; F1667-I1744 HydrophobicContact CB-CG1 4.45Å; F1667-I1744 VanDerWaalsContact N-CD1 3.32Å; S1740-I1744 PolarHBondContact O-N 3.13Å; S1740-I1744 VanDerWaalsContact O-N 3.1Å; V1741-I1744 PolarHBondContact O-N 2.93Å; A1742-I1744 VanDerWaalsContact C-N 3.33Å; A1742-I1744 PolarHBondContact O-N 2.94Å; I1744-A1746 VanDerWaalsContact C-N 3.31Å; I1744-A1746 PolarHBondContact O-N 3.04Å; I1744-S1747 PolarHBondContact O-N 3.16Å; I1744-L1748 HydrophobicContact CG2-CD1 3.91Å; I1744-L1748 HydrophobicContact CG2-CG 4.31Å; I1744-L1748 WeakPolarHBondContact O-CB 3.41Å; I1744-L1748 VanDerWaalsContact O-CG 3.29Å; I1744-L1748 WeakPolarHBondContact O-CG 3.36Å; I1744-L1748 PolarHBondContact O-N 2.92Å; I1744-L1823 HydrophobicContact CG2-CD2 4.27Å |
| 1745 | Y | 93.8 | Very high | 89 | Confident | 38.4 Ų | 38.4 | 26.2 Ų | 26.2 | 15% | 0.151 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 176.4 | -179.2 | -100.5 | 0 | 0 | 0 | 112.8 | V1741 A1742 S1749 L1770 C1773 R1774 F1777 C2510 L2511 V2514 | V1741-Y1745 VanDerWaalsContact O-CB 3.24Å; V1741-Y1745 WeakPolarHBondContact O-CB 3.36Å; V1741-Y1745 PolarHBondContact O-N 3.24Å; A1742-Y1745 PolarHBondContact O-N 3.15Å; Y1745-S1749 VanDerWaalsContact O-CB 3.25Å; Y1745-S1749 WeakPolarHBondContact O-CB 3.39Å; Y1745-S1749 PolarHBondContact O-N 3.08Å; Y1745-S1749 PolarHBondContact O-OG 2.97Å; Y1745-L1770 HydrophobicContact CD2-CD2 3.75Å; Y1745-L1770 HydrophobicContact CE2-CB 4.05Å; Y1745-L1770 HydrophobicContact CE2-CD2 3.69Å; Y1745-L1770 HydrophobicContact CE2-CG 4.42Å; Y1745-C1773 HydrophobicContact CD2-CB 3.45Å; Y1745-C1773 VanDerWaalsContact CD2-CB 3.46Å; Y1745-C1773 HydrophobicContact CE2-CB 4.26Å; Y1745-C1773 HydrophobicContact CG-CB 4.16Å; Y1745-R1774 HydrophobicContact CE2-CG 4.39Å; Y1745-R1774 PolarHBondContact OH-NE 3.11Å; Y1745-R1774 PolarHBondContact OH-NH2 3.32Å; Y1745-R1774 VanDerWaalsContact OH-NH2 3.13Å; Y1745-F1777 AromaticContact CD1-CE2 3.99Å; Y1745-F1777 HydrophobicContact CD1-CE2 4.19Å; Y1745-F1777 HydrophobicContact CD1-CZ 4.44Å; Y1745-F1777 HydrophobicContact CD2-CE2 4.25Å; Y1745-F1777 AromaticContact CG-CE2 3.93Å; Y1745-F1777 HydrophobicContact CG-CE2 3.93Å; Y1745-F1777 HydrophobicContact CG-CZ 4.31Å; Y1745-C2510 HydrophobicContact CE1-CB 4.35Å; Y1745-L2511 HydrophobicContact CD1-CD2 3.85Å; Y1745-L2511 HydrophobicContact CE1-CD2 4.33Å; Y1745-V2514 HydrophobicContact CE1-CG2 3.87Å; Y1745-V2514 WeakPolarHBondContact OH-CG2 3.48Å |
| 1746 | A | 91.5 | Very high | 87 | Confident | 15 Ų | 15 | 31.7 Ų | 31.7 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1742 R1743 I1744 L1748 S1749 L1750 M1951 T2507 | A1742-A1746 VanDerWaalsContact O-CB 3.31Å; A1742-A1746 WeakPolarHBondContact O-CB 3.27Å; A1742-A1746 PolarHBondContact O-N 3.05Å; R1743-A1746 WeakPolarHBondContact O-CB 3.26Å; R1743-A1746 PolarHBondContact O-N 3.19Å; I1744-A1746 VanDerWaalsContact C-N 3.31Å; I1744-A1746 PolarHBondContact O-N 3.04Å; A1746-L1748 PolarHBondContact O-N 2.84Å; A1746-S1749 CarbonylContact O-C 3.57Å; A1746-S1749 WeakPolarHBondContact O-CB 3.46Å; A1746-S1749 PolarHBondContact O-N 3.02Å; A1746-S1749 VanDerWaalsContact O-N 3.11Å; A1746-L1750 WeakPolarHBondContact O-CB 3.38Å; A1746-L1750 WeakPolarHBondContact O-CD1 3.18Å; A1746-L1750 VanDerWaalsContact O-CG 3.29Å; A1746-L1750 WeakPolarHBondContact O-CG 3.39Å; A1746-L1750 PolarHBondContact O-N 3.04Å; A1746-L1750 VanDerWaalsContact O-N 3.08Å; A1746-M1951 HydrophobicContact CB-CE 4.19Å; A1746-T2507 HydrophobicContact CB-CG2 3.56Å |
| 1747 | S | 89.2 | Confident | 84.8 | Confident | 9.6 Ų | 9.6 | 39.9 Ų | 39.9 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 177.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | R1743 I1744 S1749 L1750 E1751 T1948 | R1743-S1747 WeakPolarHBondContact O-CB 3.2Å; R1743-S1747 PolarHBondContact O-N 3.1Å; R1743-S1747 VanDerWaalsContact O-N 3.09Å; R1743-S1747 PolarHBondContact O-OG 3.08Å; R1743-S1747 VanDerWaalsContact O-OG 3.08Å; I1744-S1747 PolarHBondContact O-N 3.16Å; S1747-S1749 VanDerWaalsContact C-N 3.29Å; S1747-S1749 PolarHBondContact O-N 3.18Å; S1747-L1750 WeakPolarHBondContact O-CB 3.41Å; S1747-L1750 PolarHBondContact O-N 3.15Å; S1747-L1750 VanDerWaalsContact O-N 3.15Å; S1747-E1751 PolarHBondContact O-N 3.32Å; S1747-T1948 WeakPolarHBondContact OG-CG2 3.45Å |
| 1748 | L | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 175.1 | -68.7 | 172.2 | 0 | 0 | 0 | 112.2 | I1744 A1746 L1750 L1752 L1769 L1770 V1819 L1823 | I1744-L1748 HydrophobicContact CG2-CD1 3.91Å; I1744-L1748 HydrophobicContact CG2-CG 4.31Å; I1744-L1748 WeakPolarHBondContact O-CB 3.41Å; I1744-L1748 VanDerWaalsContact O-CG 3.29Å; I1744-L1748 WeakPolarHBondContact O-CG 3.36Å; I1744-L1748 PolarHBondContact O-N 2.92Å; A1746-L1748 PolarHBondContact O-N 2.84Å; L1748-L1750 VanDerWaalsContact C-N 3.31Å; L1748-L1750 PolarHBondContact O-N 3.44Å; L1748-L1752 HydrophobicContact CB-CD1 4.35Å; L1748-L1752 VanDerWaalsContact O-CB 3.26Å; L1748-L1752 WeakPolarHBondContact O-CB 3.35Å; L1748-L1752 WeakPolarHBondContact O-CD1 3.31Å; L1748-L1752 VanDerWaalsContact O-CG 3.23Å; L1748-L1752 WeakPolarHBondContact O-CG 3.36Å; L1748-L1752 PolarHBondContact O-N 2.91Å; L1748-L1752 VanDerWaalsContact O-N 3.1Å; L1748-L1769 HydrophobicContact CD1-CB 3.92Å; L1748-L1769 HydrophobicContact CD1-CD1 4.4Å; L1748-L1769 HydrophobicContact CD2-CD1 4.13Å; L1748-L1770 HydrophobicContact CB-CD2 3.62Å; L1748-L1770 HydrophobicContact CD1-CD2 4.36Å; L1748-V1819 HydrophobicContact CD2-CB 4.47Å; L1748-V1819 HydrophobicContact CD2-CG1 3.83Å; L1748-L1823 HydrophobicContact CD2-CD2 4.25Å |
| 1749 | S | 89 | Confident | 79.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.6 | -19.5 | -178.8 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | Y1745 A1746 S1747 L1770 R2506 | Y1745-S1749 VanDerWaalsContact O-CB 3.25Å; Y1745-S1749 WeakPolarHBondContact O-CB 3.39Å; Y1745-S1749 PolarHBondContact O-N 3.08Å; Y1745-S1749 PolarHBondContact O-OG 2.97Å; A1746-S1749 CarbonylContact O-C 3.57Å; A1746-S1749 WeakPolarHBondContact O-CB 3.46Å; A1746-S1749 PolarHBondContact O-N 3.02Å; A1746-S1749 VanDerWaalsContact O-N 3.11Å; S1747-S1749 VanDerWaalsContact C-N 3.29Å; S1747-S1749 PolarHBondContact O-N 3.18Å; S1749-L1770 WeakPolarHBondContact OG-CD2 3.44Å; S1749-R2506 PolarHBondContact O-NE 3.43Å; S1749-R2506 PolarHBondContact O-NH2 3.19Å; S1749-R2506 VanDerWaalsContact O-NH2 3.15Å |
| 1750 | L | 85.9 | Confident | 77.3 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.6 | -42 | 177.2 | -88 | 150.1 | 0 | 0 | 0 | 111.8 | A1746 S1747 L1748 F1810 F1812 L1947 M1951 T2507 | A1746-L1750 WeakPolarHBondContact O-CB 3.38Å; A1746-L1750 WeakPolarHBondContact O-CD1 3.18Å; A1746-L1750 VanDerWaalsContact O-CG 3.29Å; A1746-L1750 WeakPolarHBondContact O-CG 3.39Å; A1746-L1750 PolarHBondContact O-N 3.04Å; A1746-L1750 VanDerWaalsContact O-N 3.08Å; S1747-L1750 WeakPolarHBondContact O-CB 3.41Å; S1747-L1750 PolarHBondContact O-N 3.15Å; S1747-L1750 VanDerWaalsContact O-N 3.15Å; L1748-L1750 VanDerWaalsContact C-N 3.31Å; L1748-L1750 PolarHBondContact O-N 3.44Å; L1750-F1810 HydrophobicContact CD1-CZ 3.96Å; L1750-F1810 HydrophobicContact CD2-CZ 4.49Å; L1750-F1810 HydrophobicContact CG-CZ 3.94Å; L1750-F1812 VanDerWaalsContact O-CD1 3.27Å; L1750-F1812 WeakPolarHBondContact O-CD1 3.35Å; L1750-F1812 VanDerWaalsContact O-CE1 3.27Å; L1750-F1812 WeakPolarHBondContact O-CE1 3.4Å; L1750-L1947 HydrophobicContact CD1-CD2 4.2Å; L1750-L1947 HydrophobicContact CD2-CD2 4.17Å; L1750-L1947 HydrophobicContact CD2-CG 4.21Å; L1750-M1951 HydrophobicContact CD1-CE 3.73Å; L1750-M1951 HydrophobicContact CD1-SD 3.4Å; L1750-M1951 WeakPolarHBondContact CD1-SD 3.41Å; L1750-M1951 HydrophobicContact CD2-CE 4.23Å; L1750-M1951 HydrophobicContact CD2-SD 3.89Å; L1750-M1951 HydrophobicContact CG-CE 4.28Å; L1750-M1951 HydrophobicContact CG-SD 4.23Å; L1750-T2507 WeakPolarHBondContact CD2-OG1 3.35Å; L1750-T2507 WeakPolarHBondContact CG-OG1 3.39Å |
| 1751 | E | 83.9 | Confident | 74.7 | Confident | 44.6 Ų | 44.6 | 70.3 Ų | 70.3 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -90.9 | -25.6 | -176.2 | -65.1 | -177.7 | -156 | 0 | 0 | 113.8 | S1747 A1753 F1810 F1812 T1813 V1819 | S1747-E1751 PolarHBondContact O-N 3.32Å; E1751-A1753 PolarHBondContact O-N 3.5Å; E1751-F1810 HydrophobicContact CG-CE2 4.17Å; E1751-F1812 CarbonylContact O-C 3.39Å; E1751-F1812 VanDerWaalsContact O-CA 3.28Å; E1751-F1812 WeakPolarHBondContact O-CA 3.36Å; E1751-T1813 PolarHBondContact O-N 3.22Å; E1751-T1813 VanDerWaalsContact O-N 3.09Å; E1751-V1819 HydrophobicContact CB-CB 4.35Å; E1751-V1819 HydrophobicContact CB-CG1 3.8Å; E1751-V1819 HydrophobicContact CB-CG2 3.66Å; E1751-V1819 HydrophobicContact CG-CG1 4.37Å |
| 1752 | L | 86 | Confident | 72.2 | Confident | 18.6 Ų | 18.6 | 78.4 Ų | 78.4 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -75.3 | 129.9 | 179.8 | -75.9 | 172.9 | 0 | 0 | 0 | 112.8 | L1748 L1770 T1813 V1819 R2506 | L1748-L1752 HydrophobicContact CB-CD1 4.35Å; L1748-L1752 VanDerWaalsContact O-CB 3.26Å; L1748-L1752 WeakPolarHBondContact O-CB 3.35Å; L1748-L1752 WeakPolarHBondContact O-CD1 3.31Å; L1748-L1752 VanDerWaalsContact O-CG 3.23Å; L1748-L1752 WeakPolarHBondContact O-CG 3.36Å; L1748-L1752 PolarHBondContact O-N 2.91Å; L1748-L1752 VanDerWaalsContact O-N 3.1Å; L1752-L1770 HydrophobicContact CD1-CD1 3.82Å; L1752-L1770 HydrophobicContact CD1-CD2 4.36Å; L1752-L1770 HydrophobicContact CD1-CG 3.98Å; L1752-T1813 CarbonylContact C-O 3.49Å; L1752-T1813 WeakPolarHBondContact CA-O 3.3Å; L1752-V1819 HydrophobicContact CD2-CG2 3.98Å; L1752-V1819 HydrophobicContact CG-CG2 4.14Å; L1752-R2506 PolarHBondContact O-NH2 3.05Å |
| 1753 | A | 81.4 | Confident | 69.4 | Low | 31 Ų | 31 | 81.5 Ų | 81.5 | 26% | 0.256 | 42% | 0.422 | S | S | . | . | trans | -62.7 | 138.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1751 D1755 F1812 T1813 | E1751-A1753 PolarHBondContact O-N 3.5Å; A1753-D1755 VanDerWaalsContact C-N 3.29Å; A1753-D1755 PolarHBondContact O-N 3.17Å; A1753-D1755 VanDerWaalsContact O-N 3.15Å; A1753-F1812 HydrophobicContact CB-CB 4Å; A1753-T1813 WeakPolarHBondContact CB-O 3.33Å; A1753-T1813 PolarHBondContact N-O 3.05Å | ||
| 1754 | P | 72.9 | Confident | 67.1 | Low | 101.6 Ų | 101.6 | 89.2 Ų | 89.2 | 66% | 0.66 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -70.8 | 29.2 | -174.4 | 27.4 | -34 | 0 | 0 | 0 | 113.7 | Q1756 | P1754-Q1756 VanDerWaalsContact C-N 3.27Å; P1754-Q1756 PolarHBondContact O-N 3.12Å; P1754-Q1756 VanDerWaalsContact O-N 3.11Å |
| 1755 | D | 59.5 | Low | 65.1 | Low | 117 Ų | 117 | 92.9 Ų | 92.9 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | trans | -72.9 | 53.8 | -170.4 | -164.8 | 24.4 | 0 | 0 | 0 | 114.2 | A1753 K1757 K1758 | A1753-D1755 VanDerWaalsContact C-N 3.29Å; A1753-D1755 PolarHBondContact O-N 3.17Å; A1753-D1755 VanDerWaalsContact O-N 3.15Å; D1755-K1757 PolarHBondContact O-N 3.23Å; D1755-K1757 VanDerWaalsContact O-N 3.08Å; D1755-K1757 PolarHBondContact OD1-N 3.17Å; D1755-K1758 VanDerWaalsContact CG-NZ 3.27Å; D1755-K1758 WeakPolarHBondContact OD1-CD 3.32Å; D1755-K1758 VanDerWaalsContact OD1-CE 3.26Å; D1755-K1758 WeakPolarHBondContact OD1-CE 3.48Å; D1755-K1758 IonicContact OD1-NZ 2.67Å; D1755-K1758 PolarHBondContact OD1-NZ 3.23Å; D1755-K1758 IonicContact OD2-NZ 3.22Å; D1755-K1758 PolarHBondContact OD2-NZ 3.03Å | ||
| 1756 | Q | 52.9 | Low | 63.3 | Low | 122.4 Ų | 122.4 | 98.3 Ų | 98.3 | 57% | 0.572 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -64.8 | 7.9 | 175.8 | -75.4 | -79.8 | -17.3 | 0 | 0 | 113 | P1754 K1758 S1814 | P1754-Q1756 VanDerWaalsContact C-N 3.27Å; P1754-Q1756 PolarHBondContact O-N 3.12Å; P1754-Q1756 VanDerWaalsContact O-N 3.11Å; Q1756-K1758 VanDerWaalsContact C-N 3.28Å; Q1756-K1758 WeakPolarHBondContact O-CB 3.37Å; Q1756-K1758 PolarHBondContact O-N 2.96Å; Q1756-K1758 VanDerWaalsContact O-N 3.16Å; Q1756-S1814 PolarHBondContact NE2-O 2.87Å |
| 1757 | K | 47.2 | Very low | 61.9 | Low | 190.6 Ų | 190.6 | 101 Ų | 101 | 83% | 0.829 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -45.2 | 24.6 | -175.3 | -70.3 | -173.4 | 175.1 | -179.7 | 0 | 116.3 | D1755 K1759 | D1755-K1757 PolarHBondContact O-N 3.23Å; D1755-K1757 VanDerWaalsContact O-N 3.08Å; D1755-K1757 PolarHBondContact OD1-N 3.17Å; K1757-K1759 PolarHBondContact O-N 2.85Å |
| 1758 | K | 44.8 | Very low | 61.6 | Low | 175.6 Ų | 175.6 | 103.6 Ų | 103.6 | 76% | 0.763 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -105.1 | 12 | -171.8 | -101.4 | -179.6 | -174.3 | 155.7 | 0 | 116.6 | D1755 Q1756 S1760 | D1755-K1758 VanDerWaalsContact CG-NZ 3.27Å; D1755-K1758 WeakPolarHBondContact OD1-CD 3.32Å; D1755-K1758 VanDerWaalsContact OD1-CE 3.26Å; D1755-K1758 WeakPolarHBondContact OD1-CE 3.48Å; D1755-K1758 IonicContact OD1-NZ 2.67Å; D1755-K1758 PolarHBondContact OD1-NZ 3.23Å; D1755-K1758 IonicContact OD2-NZ 3.22Å; D1755-K1758 PolarHBondContact OD2-NZ 3.03Å; Q1756-K1758 VanDerWaalsContact C-N 3.28Å; Q1756-K1758 WeakPolarHBondContact O-CB 3.37Å; Q1756-K1758 PolarHBondContact O-N 2.96Å; Q1756-K1758 VanDerWaalsContact O-N 3.16Å; K1758-S1760 PolarHBondContact O-N 2.66Å |
| 1759 | K | 42.5 | Very low | 61.5 | Low | 184.2 Ų | 184.2 | 105 Ų | 105 | 80% | 0.801 | 56% | 0.561 | S | S | * | * | trans | -80.7 | 34 | 171.5 | -110.5 | 175.4 | -176 | 170.8 | 0 | 116.2 | K1757 R1761 | K1757-K1759 PolarHBondContact O-N 2.85Å; K1759-R1761 HydrophobicContact CG-CG 4.23Å; K1759-R1761 PolarHBondContact O-N 2.97Å; K1759-R1761 VanDerWaalsContact O-N 3.15Å | ||
| 1760 | S | 41.8 | Very low | 61.6 | Low | 101.8 Ų | 101.8 | 104.7 Ų | 104.7 | 71% | 0.712 | 56% | 0.557 | S | S | * | * | trans | -83.3 | 111.8 | 164.9 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | K1758 | K1758-S1760 PolarHBondContact O-N 2.66Š| ||
| 1761 | R | 40.9 | Very low | 61.9 | Low | 221.4 Ų | 221.4 | 105.6 Ų | 105.6 | 84% | 0.835 | 56% | 0.562 | S | S | * | * | trans | -134.9 | 25.5 | 172.3 | -72.7 | -161.4 | -159.6 | -164.9 | 2.7 | 112.8 | K1759 | K1759-R1761 HydrophobicContact CG-CG 4.23Å; K1759-R1761 PolarHBondContact O-N 2.97Å; K1759-R1761 VanDerWaalsContact O-N 3.15Å | ||
| 1762 | L | 42.1 | Very low | 62.3 | Low | 168.6 Ų | 168.6 | 104.1 Ų | 104.1 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -155.5 | 115.6 | 176.4 | -76.9 | 120.4 | 0 | 0 | 0 | 111.3 | L1764 | L1762-L1764 PolarHBondContact O-N 2.89Š|
| 1763 | G | 37.4 | Very low | 62.7 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 98.6 | 144.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1765 | G1763-A1765 PolarHBondContact O-N 3.14Å; G1763-A1765 VanDerWaalsContact O-N 3.16Å |
| 1764 | L | 45.3 | Very low | 63.4 | Low | 179 Ų | 179 | 106 Ų | 106 | 94% | 0.937 | 56% | 0.555 | S | S | * | * | trans | -68.6 | 89.3 | 171.4 | -101.9 | 70.1 | 0 | 0 | 0 | 110.5 | L1762 Q1766 | L1762-L1764 PolarHBondContact O-N 2.89Å; L1764-Q1766 PolarHBondContact O-N 2.76Å | ||
| 1765 | A | 50.1 | Low | 64.4 | Low | 82.4 Ų | 82.4 | 104.7 Ų | 104.7 | 68% | 0.681 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 120.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1763 | G1763-A1765 PolarHBondContact O-N 3.14Å; G1763-A1765 VanDerWaalsContact O-N 3.16Å |
| 1766 | Q | 54.8 | Low | 66.2 | Low | 152.4 Ų | 152.4 | 99.2 Ų | 99.2 | 71% | 0.712 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 143 | 163.5 | -73 | -74.3 | -10.3 | 0 | 0 | 109.5 | L1764 | L1764-Q1766 PolarHBondContact O-N 2.76Š|
| 1767 | P | 63.5 | Low | 68.3 | Low | 71.6 Ų | 71.6 | 94 Ų | 94 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 142.4 | 175.9 | 26.9 | -34.2 | 0 | 0 | 0 | 110.3 | D1771 | P1767-D1771 HydrophobicContact CB-CB 4.37Š|
| 1768 | T | 81.7 | Confident | 70.5 | Confident | 62.8 Ų | 62.8 | 88.1 Ų | 88.1 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 157.8 | 173.2 | 76.3 | 0 | 0 | 0 | 0 | 110 | L1770 D1771 L1772 | T1768-L1770 PolarHBondContact O-N 2.77Å; T1768-L1770 VanDerWaalsContact O-N 3.14Å; T1768-D1771 WeakPolarHBondContact CB-OD2 3.39Å; T1768-D1771 WeakPolarHBondContact CG2-OD2 3.31Å; T1768-D1771 PolarHBondContact N-OD2 3.16Å; T1768-D1771 VanDerWaalsContact N-OD2 3.12Å; T1768-D1771 WeakPolarHBondContact O-CA 3.36Å; T1768-D1771 WeakPolarHBondContact O-CB 3.43Å; T1768-D1771 PolarHBondContact O-N 2.84Å; T1768-D1771 PolarHBondContact OG1-N 2.91Å; T1768-D1771 PolarHBondContact OG1-OD2 3.02Å; T1768-L1772 PolarHBondContact O-N 3.11Å |
| 1769 | L | 88.8 | Confident | 72.9 | Confident | 30.6 Ų | 30.6 | 81.2 Ų | 81.2 | 16% | 0.16 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -54.5 | -36.1 | 177 | -58.7 | -176.8 | 0 | 0 | 0 | 112.1 | I1670 C1671 L1748 D1771 L1772 C1773 A1820 | I1670-L1769 WeakPolarHBondContact O-CD2 3.45Å; C1671-L1769 HydrophobicContact CB-CD1 4.38Å; L1748-L1769 HydrophobicContact CD1-CB 3.92Å; L1748-L1769 HydrophobicContact CD1-CD1 4.4Å; L1748-L1769 HydrophobicContact CD2-CD1 4.13Å; L1769-D1771 VanDerWaalsContact C-N 3.33Å; L1769-D1771 PolarHBondContact O-N 3Å; L1769-L1772 PolarHBondContact O-N 3Å; L1769-C1773 PolarHBondContact O-N 3.17Å; L1769-C1773 VanDerWaalsContact O-N 3.11Å; L1769-C1773 PolarHBondContact O-SG 3.2Å; L1769-C1773 VanDerWaalsContact O-SG 3.34Å; L1769-A1820 HydrophobicContact CD1-CB 4.44Å |
| 1770 | L | 90.9 | Very high | 75.4 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.6 | -29.4 | 175.8 | -61.9 | -179.2 | 0 | 0 | 0 | 112.9 | Y1745 L1748 S1749 L1752 T1768 R1774 | Y1745-L1770 HydrophobicContact CD2-CD2 3.75Å; Y1745-L1770 HydrophobicContact CE2-CB 4.05Å; Y1745-L1770 HydrophobicContact CE2-CD2 3.69Å; Y1745-L1770 HydrophobicContact CE2-CG 4.42Å; L1748-L1770 HydrophobicContact CB-CD2 3.62Å; L1748-L1770 HydrophobicContact CD1-CD2 4.36Å; S1749-L1770 WeakPolarHBondContact OG-CD2 3.44Å; L1752-L1770 HydrophobicContact CD1-CD1 3.82Å; L1752-L1770 HydrophobicContact CD1-CD2 4.36Å; L1752-L1770 HydrophobicContact CD1-CG 3.98Å; T1768-L1770 PolarHBondContact O-N 2.77Å; T1768-L1770 VanDerWaalsContact O-N 3.14Å; L1770-R1774 WeakPolarHBondContact O-CD 3.34Å; L1770-R1774 VanDerWaalsContact O-CG 3.28Å; L1770-R1774 WeakPolarHBondContact O-CG 3.35Å; L1770-R1774 PolarHBondContact O-N 3.1Å; L1770-R1774 VanDerWaalsContact O-N 3.15Å; L1770-R1774 PolarHBondContact O-NE 3.14Å; L1770-R1774 PolarHBondContact O-NH1 3.42Å |
| 1771 | D | 91.4 | Very high | 77.8 | Confident | 65.2 Ų | 65.2 | 69.1 Ų | 69.1 | 35% | 0.349 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -77.9 | -34.6 | 175.8 | -57.8 | -46.1 | 0 | 0 | 0 | 111.7 | P1767 T1768 L1769 R1774 H1775 | P1767-D1771 HydrophobicContact CB-CB 4.37Å; T1768-D1771 WeakPolarHBondContact CB-OD2 3.39Å; T1768-D1771 WeakPolarHBondContact CG2-OD2 3.31Å; T1768-D1771 PolarHBondContact N-OD2 3.16Å; T1768-D1771 VanDerWaalsContact N-OD2 3.12Å; T1768-D1771 WeakPolarHBondContact O-CA 3.36Å; T1768-D1771 WeakPolarHBondContact O-CB 3.43Å; T1768-D1771 PolarHBondContact O-N 2.84Å; T1768-D1771 PolarHBondContact OG1-N 2.91Å; T1768-D1771 PolarHBondContact OG1-OD2 3.02Å; L1769-D1771 VanDerWaalsContact C-N 3.33Å; L1769-D1771 PolarHBondContact O-N 3Å; D1771-R1774 WeakPolarHBondContact O-CB 3.44Å; D1771-R1774 PolarHBondContact O-N 3Å; D1771-R1774 IonicContact OD1-CZ 3.07Å; D1771-R1774 IonicContact OD1-NH1 3.1Å; D1771-R1774 PolarHBondContact OD1-NH1 3.11Å; D1771-H1775 WeakPolarHBondContact O-CB 3.37Å; D1771-H1775 PolarHBondContact O-N 3.15Å |
| 1772 | L | 92.7 | Very high | 80.2 | Confident | 14.2 Ų | 14.2 | 62.6 Ų | 62.6 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 171.4 | -175.7 | 57.5 | 0 | 0 | 0 | 111.4 | I1670 P1675 T1678 T1768 L1769 R1774 H1775 V1776 | I1670-L1772 HydrophobicContact CB-CD2 4.47Å; I1670-L1772 HydrophobicContact CG2-CD2 4.16Å; I1670-L1772 HydrophobicContact CG2-CG 4.45Å; I1670-L1772 WeakPolarHBondContact O-CD2 3.38Å; P1675-L1772 HydrophobicContact CB-CD1 4.13Å; P1675-L1772 HydrophobicContact CB-CD2 4.29Å; T1678-L1772 HydrophobicContact CG2-CD1 4.38Å; T1768-L1772 PolarHBondContact O-N 3.11Å; L1769-L1772 PolarHBondContact O-N 3Å; L1772-R1774 PolarHBondContact O-N 3.3Å; L1772-H1775 WeakPolarHBondContact O-CB 3.3Å; L1772-H1775 PolarHBondContact O-N 3.21Å; L1772-V1776 WeakPolarHBondContact O-CG2 3.28Å; L1772-V1776 PolarHBondContact O-N 3.14Å |
| 1773 | C | 94.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 170.9 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | V1741 Y1745 L1769 H1775 V1776 F1777 | V1741-C1773 HydrophobicContact CG1-CB 4.32Å; Y1745-C1773 HydrophobicContact CD2-CB 3.45Å; Y1745-C1773 VanDerWaalsContact CD2-CB 3.46Å; Y1745-C1773 HydrophobicContact CE2-CB 4.26Å; Y1745-C1773 HydrophobicContact CG-CB 4.16Å; L1769-C1773 PolarHBondContact O-N 3.17Å; L1769-C1773 VanDerWaalsContact O-N 3.11Å; L1769-C1773 PolarHBondContact O-SG 3.2Å; L1769-C1773 VanDerWaalsContact O-SG 3.34Å; C1773-H1775 VanDerWaalsContact C-N 3.33Å; C1773-H1775 PolarHBondContact O-N 3.01Å; C1773-V1776 WeakPolarHBondContact O-CB 3.39Å; C1773-V1776 PolarHBondContact O-N 3.25Å; C1773-F1777 HydrophobicContact CB-CE2 4.14Å; C1773-F1777 HydrophobicContact CB-CZ 4.49Å; C1773-F1777 WeakPolarHBondContact O-CD2 3.3Å; C1773-F1777 VanDerWaalsContact O-CG 3.29Å; C1773-F1777 WeakPolarHBondContact O-CG 3.42Å; C1773-F1777 PolarHBondContact O-N 3.1Å |
| 1774 | R | 94.9 | Very high | 85.4 | Confident | 88.6 Ų | 88.6 | 52 Ų | 52 | 33% | 0.334 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 175.9 | -72.5 | 165.6 | -169.1 | 125.9 | 9.4 | 112.2 | Y1745 L1770 D1771 L1772 V1776 F1777 S1778 V2514 | Y1745-R1774 HydrophobicContact CE2-CG 4.39Å; Y1745-R1774 PolarHBondContact OH-NE 3.11Å; Y1745-R1774 PolarHBondContact OH-NH2 3.32Å; Y1745-R1774 VanDerWaalsContact OH-NH2 3.13Å; L1770-R1774 WeakPolarHBondContact O-CD 3.34Å; L1770-R1774 VanDerWaalsContact O-CG 3.28Å; L1770-R1774 WeakPolarHBondContact O-CG 3.35Å; L1770-R1774 PolarHBondContact O-N 3.1Å; L1770-R1774 VanDerWaalsContact O-N 3.15Å; L1770-R1774 PolarHBondContact O-NE 3.14Å; L1770-R1774 PolarHBondContact O-NH1 3.42Å; D1771-R1774 WeakPolarHBondContact O-CB 3.44Å; D1771-R1774 PolarHBondContact O-N 3Å; D1771-R1774 IonicContact OD1-CZ 3.07Å; D1771-R1774 IonicContact OD1-NH1 3.1Å; D1771-R1774 PolarHBondContact OD1-NH1 3.11Å; L1772-R1774 PolarHBondContact O-N 3.3Å; R1774-V1776 VanDerWaalsContact C-N 3.33Å; R1774-V1776 PolarHBondContact O-N 3.42Å; R1774-F1777 CarbonylContact O-C 3.53Å; R1774-F1777 PolarHBondContact O-N 3.08Å; R1774-F1777 VanDerWaalsContact O-N 3.17Å; R1774-S1778 WeakPolarHBondContact O-CB 3.42Å; R1774-S1778 PolarHBondContact O-N 3.06Å; R1774-S1778 PolarHBondContact O-OG 3.23Å; R1774-V2514 HydrophobicContact CG-CG2 4.46Å |
| 1775 | H | 95.1 | Very high | 87.8 | Confident | 75.2 Ų | 75.2 | 47.2 Ų | 47.2 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.6 | 175.3 | 61.1 | 0 | 0 | 0 | 111.7 | D1679 D1771 L1772 C1773 F1777 S1778 S1779 | D1679-H1775 IonicContact OD1-CD2 3.1Å; D1679-H1775 IonicContact OD1-CE1 3.16Å; D1679-H1775 IonicContact OD1-NE2 3.26Å; D1679-H1775 PolarHBondContact OD1-NE2 3.18Å; D1771-H1775 WeakPolarHBondContact O-CB 3.37Å; D1771-H1775 PolarHBondContact O-N 3.15Å; L1772-H1775 WeakPolarHBondContact O-CB 3.3Å; L1772-H1775 PolarHBondContact O-N 3.21Å; C1773-H1775 VanDerWaalsContact C-N 3.33Å; C1773-H1775 PolarHBondContact O-N 3.01Å; H1775-F1777 PolarHBondContact O-N 3.25Å; H1775-S1778 PolarHBondContact O-N 3.21Å; H1775-S1779 PolarHBondContact CE1-OG 2.98Å; H1775-S1779 VanDerWaalsContact O-CB 3.28Å; H1775-S1779 WeakPolarHBondContact O-CB 3.43Å; H1775-S1779 PolarHBondContact O-N 2.99Å; H1775-S1779 PolarHBondContact O-OG 3.11Å; H1775-S1779 VanDerWaalsContact O-OG 3.09Å |
| 1776 | V | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 171.9 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | T1678 L1682 F1737 I1738 V1741 L1772 C1773 R1774 S1778 S1779 L1780 | T1678-V1776 HydrophobicContact CG2-CG2 3.72Å; L1682-V1776 HydrophobicContact CD1-CG2 4.08Å; L1682-V1776 HydrophobicContact CD2-CB 4.44Å; L1682-V1776 HydrophobicContact CD2-CG1 4.16Å; L1682-V1776 HydrophobicContact CD2-CG2 4.28Å; F1737-V1776 HydrophobicContact CD1-CG1 4.45Å; F1737-V1776 HydrophobicContact CE1-CG1 3.58Å; F1737-V1776 HydrophobicContact CZ-CG1 4.03Å; I1738-V1776 HydrophobicContact CD1-CG1 3.96Å; V1741-V1776 HydrophobicContact CB-CG1 4.38Å; V1741-V1776 HydrophobicContact CG1-CB 4.24Å; V1741-V1776 HydrophobicContact CG1-CG1 3.89Å; V1741-V1776 HydrophobicContact CG2-CG1 3.91Å; L1772-V1776 WeakPolarHBondContact O-CG2 3.28Å; L1772-V1776 PolarHBondContact O-N 3.14Å; C1773-V1776 WeakPolarHBondContact O-CB 3.39Å; C1773-V1776 PolarHBondContact O-N 3.25Å; R1774-V1776 VanDerWaalsContact C-N 3.33Å; R1774-V1776 PolarHBondContact O-N 3.42Å; V1776-S1778 VanDerWaalsContact C-N 3.28Å; V1776-S1778 PolarHBondContact O-N 2.84Å; V1776-S1779 PolarHBondContact O-N 3.13Å; V1776-L1780 PolarHBondContact O-N 3.15Å; V1776-L1780 VanDerWaalsContact O-N 3.15Å |
| 1777 | F | 96.7 | Very high | 91.7 | Very high | 14.2 Ų | 14.2 | 41.7 Ų | 41.7 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 178.1 | -58.1 | -43.3 | 0 | 0 | 0 | 112.9 | I1738 V1741 A1742 Y1745 C1773 R1774 H1775 L1780 A1781 A1784 L1788 V2514 L2518 | I1738-F1777 HydrophobicContact CD1-CD1 3.99Å; I1738-F1777 HydrophobicContact CD1-CE1 4.39Å; I1738-F1777 HydrophobicContact CG2-CD1 4.43Å; I1738-F1777 HydrophobicContact CG2-CE1 4.42Å; V1741-F1777 HydrophobicContact CB-CE1 4Å; V1741-F1777 HydrophobicContact CB-CZ 4.41Å; V1741-F1777 HydrophobicContact CG1-CD1 4.33Å; V1741-F1777 HydrophobicContact CG1-CE1 3.56Å; V1741-F1777 VanDerWaalsContact CG1-CE1 3.49Å; V1741-F1777 HydrophobicContact CG1-CE2 4.48Å; V1741-F1777 HydrophobicContact CG1-CZ 3.71Å; A1742-F1777 HydrophobicContact CB-CE1 4.3Å; A1742-F1777 HydrophobicContact CB-CZ 4.2Å; Y1745-F1777 AromaticContact CD1-CE2 3.99Å; Y1745-F1777 HydrophobicContact CD1-CE2 4.19Å; Y1745-F1777 HydrophobicContact CD1-CZ 4.44Å; Y1745-F1777 HydrophobicContact CD2-CE2 4.25Å; Y1745-F1777 AromaticContact CG-CE2 3.93Å; Y1745-F1777 HydrophobicContact CG-CE2 3.93Å; Y1745-F1777 HydrophobicContact CG-CZ 4.31Å; C1773-F1777 HydrophobicContact CB-CE2 4.14Å; C1773-F1777 HydrophobicContact CB-CZ 4.49Å; C1773-F1777 WeakPolarHBondContact O-CD2 3.3Å; C1773-F1777 VanDerWaalsContact O-CG 3.29Å; C1773-F1777 WeakPolarHBondContact O-CG 3.42Å; C1773-F1777 PolarHBondContact O-N 3.1Å; R1774-F1777 CarbonylContact O-C 3.53Å; R1774-F1777 PolarHBondContact O-N 3.08Å; R1774-F1777 VanDerWaalsContact O-N 3.17Å; H1775-F1777 PolarHBondContact O-N 3.25Å; F1777-L1780 CarbonylContact O-C 3.44Å; F1777-L1780 VanDerWaalsContact O-C 3.32Å; F1777-L1780 PolarHBondContact O-N 3.1Å; F1777-A1781 VanDerWaalsContact O-CA 3.26Å; F1777-A1781 WeakPolarHBondContact O-CA 3.38Å; F1777-A1781 PolarHBondContact O-N 3.17Å; F1777-A1781 VanDerWaalsContact O-N 3.14Å; F1777-A1784 HydrophobicContact CB-CB 4.18Å; F1777-A1784 HydrophobicContact CD1-CB 4.37Å; F1777-A1784 WeakPolarHBondContact O-CB 3.36Å; F1777-L1788 HydrophobicContact CB-CD1 4.39Å; F1777-L1788 HydrophobicContact CD1-CD1 4.13Å; F1777-L1788 HydrophobicContact CD1-CD2 4.32Å; F1777-L1788 HydrophobicContact CD2-CD1 4.37Å; F1777-L1788 HydrophobicContact CE1-CD1 4.46Å; F1777-L1788 HydrophobicContact CE1-CD2 3.91Å; F1777-L1788 HydrophobicContact CE2-CD2 4.44Å; F1777-L1788 HydrophobicContact CG-CD1 4.07Å; F1777-L1788 HydrophobicContact CZ-CD2 4.02Å; F1777-V2514 HydrophobicContact CB-CG1 4.38Å; F1777-V2514 HydrophobicContact CD2-CG1 3.69Å; F1777-V2514 HydrophobicContact CE2-CG1 4.34Å; F1777-V2514 HydrophobicContact CG-CG1 4.31Å; F1777-L2518 HydrophobicContact CB-CD1 4.03Å; F1777-L2518 HydrophobicContact CB-CD2 4.18Å |
| 1778 | S | 94.7 | Very high | 93.2 | Very high | 66.2 Ų | 66.2 | 39.9 Ų | 39.9 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71 | -40.4 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | R1774 H1775 V1776 L1780 A1781 E2521 | R1774-S1778 WeakPolarHBondContact O-CB 3.42Å; R1774-S1778 PolarHBondContact O-N 3.06Å; R1774-S1778 PolarHBondContact O-OG 3.23Å; H1775-S1778 PolarHBondContact O-N 3.21Å; V1776-S1778 VanDerWaalsContact C-N 3.28Å; V1776-S1778 PolarHBondContact O-N 2.84Å; S1778-L1780 VanDerWaalsContact C-N 3.28Å; S1778-L1780 PolarHBondContact O-N 3.03Å; S1778-L1780 VanDerWaalsContact O-N 3.11Å; S1778-A1781 WeakPolarHBondContact O-CB 3.4Å; S1778-A1781 PolarHBondContact O-N 3.07Å; S1778-E2521 VanDerWaalsContact CB-OE2 3.25Å; S1778-E2521 WeakPolarHBondContact CB-OE2 3.36Å; S1778-E2521 PolarHBondContact OG-OE2 3.22Å |
| 1779 | S | 94.3 | Very high | 93.8 | Very high | 30.6 Ų | 30.6 | 39.5 Ų | 39.5 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -20 | 178.6 | -78.3 | 0 | 0 | 0 | 0 | 113.6 | N1686 H1775 V1776 | N1686-S1779 PolarHBondContact ND2-O 3.03Å; N1686-S1779 PolarHBondContact ND2-OG 3.5Å; N1686-S1779 PolarHBondContact OD1-O 3.19Å; H1775-S1779 PolarHBondContact CE1-OG 2.98Å; H1775-S1779 VanDerWaalsContact O-CB 3.28Å; H1775-S1779 WeakPolarHBondContact O-CB 3.43Å; H1775-S1779 PolarHBondContact O-N 2.99Å; H1775-S1779 PolarHBondContact O-OG 3.11Å; H1775-S1779 VanDerWaalsContact O-OG 3.09Å; V1776-S1779 PolarHBondContact O-N 3.13Å |
| 1780 | L | 94.3 | Very high | 94 | Very high | 2.4 Ų | 2.4 | 41.6 Ų | 41.6 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 31.3 | 177.1 | -66.3 | 171.3 | 0 | 0 | 0 | 111.8 | L1682 L1685 N1686 I1689 F1737 I1738 V1776 F1777 S1778 P1782 I1783 A1784 | L1682-L1780 HydrophobicContact CD2-CD1 3.79Å; L1682-L1780 HydrophobicContact CD2-CG 4.08Å; L1685-L1780 HydrophobicContact CB-CD2 4.24Å; L1685-L1780 HydrophobicContact CD1-CD1 3.87Å; N1686-L1780 WeakPolarHBondContact OD1-CD2 3.49Å; I1689-L1780 HydrophobicContact CD1-CD2 4.17Å; F1737-L1780 HydrophobicContact CD1-CD1 4.02Å; F1737-L1780 HydrophobicContact CE1-CD1 4.14Å; I1738-L1780 HydrophobicContact CD1-CB 4.07Å; I1738-L1780 HydrophobicContact CD1-CD1 4.05Å; I1738-L1780 HydrophobicContact CG1-CB 4.49Å; I1738-L1780 HydrophobicContact CG1-CD1 4.32Å; V1776-L1780 PolarHBondContact O-N 3.15Å; V1776-L1780 VanDerWaalsContact O-N 3.15Å; F1777-L1780 CarbonylContact O-C 3.44Å; F1777-L1780 VanDerWaalsContact O-C 3.32Å; F1777-L1780 PolarHBondContact O-N 3.1Å; S1778-L1780 VanDerWaalsContact C-N 3.28Å; S1778-L1780 PolarHBondContact O-N 3.03Å; S1778-L1780 VanDerWaalsContact O-N 3.11Å; L1780-P1782 VanDerWaalsContact C-CD 3.48Å; L1780-P1782 VanDerWaalsContact C-N 3.35Å; L1780-P1782 VanDerWaalsContact O-N 3.15Å; L1780-I1783 PolarHBondContact O-N 3.01Å; L1780-A1784 PolarHBondContact O-N 3.3Å |
| 1781 | A | 93.5 | Very high | 94 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -50.4 | -39.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1777 S1778 I1783 A1784 I1785 L2518 I2522 | F1777-A1781 VanDerWaalsContact O-CA 3.26Å; F1777-A1781 WeakPolarHBondContact O-CA 3.38Å; F1777-A1781 PolarHBondContact O-N 3.17Å; F1777-A1781 VanDerWaalsContact O-N 3.14Å; S1778-A1781 WeakPolarHBondContact O-CB 3.4Å; S1778-A1781 PolarHBondContact O-N 3.07Å; A1781-I1783 PolarHBondContact O-N 3.15Å; A1781-A1784 PolarHBondContact O-N 3.09Å; A1781-I1785 WeakPolarHBondContact O-CB 3.34Å; A1781-I1785 WeakPolarHBondContact O-CD1 3.38Å; A1781-I1785 VanDerWaalsContact O-CG1 3.29Å; A1781-I1785 WeakPolarHBondContact O-CG1 3.35Å; A1781-I1785 WeakPolarHBondContact O-CG2 3.29Å; A1781-I1785 PolarHBondContact O-N 2.98Å; A1781-L2518 HydrophobicContact CB-CD2 4.05Å; A1781-I2522 HydrophobicContact CB-CD1 4.03Å; A1781-I2522 HydrophobicContact CB-CG1 4.35Å |
| 1782 | P | 91.1 | Very high | 94.1 | Very high | 84.4 Ų | 84.4 | 39.4 Ų | 39.4 | 55% | 0.548 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.6 | -23.1 | 177.1 | -24.4 | 36 | 0 | 0 | 0 | 114.7 | L1780 N1786 | L1780-P1782 VanDerWaalsContact C-CD 3.48Å; L1780-P1782 VanDerWaalsContact C-N 3.35Å; L1780-P1782 VanDerWaalsContact O-N 3.15Å; P1782-N1786 PolarHBondContact O-ND2 3.09Å; P1782-N1786 VanDerWaalsContact O-ND2 3.07Å |
| 1783 | I | 93.9 | Very high | 94 | Very high | 15.2 Ų | 15.2 | 40.8 Ų | 40.8 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -93.1 | -45.3 | 174.6 | -60.1 | 178.9 | 0 | 0 | 0 | 109.4 | I1689 T1731 A1734 A1735 I1738 L1780 A1781 I1785 N1786 E1787 | I1689-I1783 HydrophobicContact CD1-CD1 3.79Å; T1731-I1783 HydrophobicContact CG2-CD1 3.96Å; T1731-I1783 HydrophobicContact CG2-CG1 4.36Å; A1734-I1783 HydrophobicContact CB-CD1 3.63Å; A1735-I1783 HydrophobicContact CB-CG2 3.98Å; I1738-I1783 HydrophobicContact CG1-CG2 4.34Å; L1780-I1783 PolarHBondContact O-N 3.01Å; A1781-I1783 PolarHBondContact O-N 3.15Å; I1783-I1785 VanDerWaalsContact C-N 3.26Å; I1783-I1785 PolarHBondContact O-N 3.18Å; I1783-N1786 PolarHBondContact O-N 3.15Å; I1783-E1787 HydrophobicContact CG2-CG 4.18Å; I1783-E1787 PolarHBondContact O-N 2.97Å; I1783-E1787 VanDerWaalsContact O-N 3.13Å |
| 1784 | A | 95.3 | Very high | 93.8 | Very high | 2.4 Ų | 2.4 | 42.1 Ų | 42.1 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -33.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1738 F1777 L1780 A1781 N1786 E1787 L1788 L2518 | I1738-A1784 HydrophobicContact CD1-CB 4.35Å; I1738-A1784 HydrophobicContact CG2-CB 4.31Å; F1777-A1784 HydrophobicContact CB-CB 4.18Å; F1777-A1784 HydrophobicContact CD1-CB 4.37Å; F1777-A1784 WeakPolarHBondContact O-CB 3.36Å; L1780-A1784 PolarHBondContact O-N 3.3Å; A1781-A1784 PolarHBondContact O-N 3.09Å; A1784-N1786 VanDerWaalsContact C-N 3.29Å; A1784-N1786 PolarHBondContact O-N 3.3Å; A1784-E1787 PolarHBondContact O-N 3.03Å; A1784-L1788 HydrophobicContact CB-CD1 4.08Å; A1784-L1788 HydrophobicContact CB-CG 4.47Å; A1784-L1788 VanDerWaalsContact O-CB 3.27Å; A1784-L1788 WeakPolarHBondContact O-CB 3.43Å; A1784-L1788 VanDerWaalsContact O-CG 3.24Å; A1784-L1788 WeakPolarHBondContact O-CG 3.35Å; A1784-L1788 PolarHBondContact O-N 3.09Å; A1784-L2518 HydrophobicContact CB-CD1 4.04Å |
| 1785 | I | 94.6 | Very high | 93.5 | Very high | 78.8 Ų | 78.8 | 40.2 Ų | 40.2 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.2 | -22.4 | 176.9 | -128.2 | 166.3 | 0 | 0 | 0 | 113.4 | A1781 I1783 P1789 L2518 L2519 I2522 | A1781-I1785 WeakPolarHBondContact O-CB 3.34Å; A1781-I1785 WeakPolarHBondContact O-CD1 3.38Å; A1781-I1785 VanDerWaalsContact O-CG1 3.29Å; A1781-I1785 WeakPolarHBondContact O-CG1 3.35Å; A1781-I1785 WeakPolarHBondContact O-CG2 3.29Å; A1781-I1785 PolarHBondContact O-N 2.98Å; I1783-I1785 VanDerWaalsContact C-N 3.26Å; I1783-I1785 PolarHBondContact O-N 3.18Å; I1785-P1789 WeakPolarHBondContact O-CD 3.39Å; I1785-P1789 VanDerWaalsContact O-CG 3.22Å; I1785-P1789 WeakPolarHBondContact O-CG 3.23Å; I1785-L2518 HydrophobicContact CD1-CB 3.99Å; I1785-L2518 HydrophobicContact CG1-CB 3.96Å; I1785-L2518 HydrophobicContact CG1-CD1 4.33Å; I1785-L2519 HydrophobicContact CD1-CD2 4.08Å; I1785-L2519 HydrophobicContact CD1-CG 4.38Å; I1785-L2519 HydrophobicContact CG2-CD2 4.08Å; I1785-I2522 HydrophobicContact CD1-CD1 3.39Å; I1785-I2522 HydrophobicContact CD1-CG1 4.36Å |
| 1786 | N | 92.7 | Very high | 93.3 | Very high | 92.4 Ų | 92.4 | 40 Ų | 40 | 49% | 0.494 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -87.1 | -41 | 174.9 | -64.3 | -43.3 | 0 | 0 | 0 | 111.5 | P1782 I1783 A1784 V1790 | P1782-N1786 PolarHBondContact O-ND2 3.09Å; P1782-N1786 VanDerWaalsContact O-ND2 3.07Å; I1783-N1786 PolarHBondContact O-N 3.15Å; A1784-N1786 VanDerWaalsContact C-N 3.29Å; A1784-N1786 PolarHBondContact O-N 3.3Å; N1786-V1790 WeakPolarHBondContact O-CG2 3.29Å |
| 1787 | E | 93.9 | Very high | 93 | Very high | 26.2 Ų | 26.2 | 43.1 Ų | 43.1 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78 | -44.8 | -174.9 | -61.4 | -59.2 | 147.2 | 0 | 0 | 113.3 | A1735 I1738 R1739 I1783 A1784 P1789 V1790 L1791 | A1735-E1787 HydrophobicContact CB-CG 4.23Å; A1735-E1787 WeakPolarHBondContact CB-OE1 3.25Å; I1738-E1787 HydrophobicContact CB-CG 4.41Å; I1738-E1787 HydrophobicContact CG2-CB 3.78Å; I1738-E1787 HydrophobicContact CG2-CG 4.15Å; R1739-E1787 WeakPolarHBondContact CD-OE2 3.39Å; R1739-E1787 VanDerWaalsContact CG-OE2 3.28Å; R1739-E1787 WeakPolarHBondContact CG-OE2 3.36Å; R1739-E1787 IonicContact CZ-OE1 3.39Å; R1739-E1787 IonicContact CZ-OE2 3.27Å; R1739-E1787 VanDerWaalsContact CZ-OE2 3.27Å; R1739-E1787 IonicContact NE-OE1 3.1Å; R1739-E1787 IonicContact NE-OE2 3.45Å; R1739-E1787 PolarHBondContact NE-OE2 3.01Å; R1739-E1787 VanDerWaalsContact NH2-CD 3.32Å; R1739-E1787 IonicContact NH2-OE1 3.1Å; R1739-E1787 PolarHBondContact NH2-OE1 3.31Å; R1739-E1787 IonicContact NH2-OE2 3.33Å; R1739-E1787 PolarHBondContact NH2-OE2 2.89Å; I1783-E1787 HydrophobicContact CG2-CG 4.18Å; I1783-E1787 PolarHBondContact O-N 2.97Å; I1783-E1787 VanDerWaalsContact O-N 3.13Å; A1784-E1787 PolarHBondContact O-N 3.03Å; E1787-P1789 VanDerWaalsContact C-CD 3.45Å; E1787-V1790 PolarHBondContact O-N 3.13Å; E1787-V1790 VanDerWaalsContact O-N 3.11Å; E1787-L1791 HydrophobicContact CB-CD1 4.2Å; E1787-L1791 WeakPolarHBondContact O-CD1 3.3Å; E1787-L1791 VanDerWaalsContact O-CG 3.31Å; E1787-L1791 WeakPolarHBondContact O-CG 3.35Å; E1787-L1791 PolarHBondContact O-N 3.12Å; E1787-L1791 VanDerWaalsContact O-N 3.16Å |
| 1788 | L | 95.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | -174.1 | -67.8 | 172.5 | 0 | 0 | 0 | 114 | A1742 F1777 A1784 V1790 L1791 A1792 L2511 V2514 L2518 | A1742-L1788 HydrophobicContact CB-CD2 3.74Å; F1777-L1788 HydrophobicContact CB-CD1 4.39Å; F1777-L1788 HydrophobicContact CD1-CD1 4.13Å; F1777-L1788 HydrophobicContact CD1-CD2 4.32Å; F1777-L1788 HydrophobicContact CD2-CD1 4.37Å; F1777-L1788 HydrophobicContact CE1-CD1 4.46Å; F1777-L1788 HydrophobicContact CE1-CD2 3.91Å; F1777-L1788 HydrophobicContact CE2-CD2 4.44Å; F1777-L1788 HydrophobicContact CG-CD1 4.07Å; F1777-L1788 HydrophobicContact CZ-CD2 4.02Å; A1784-L1788 HydrophobicContact CB-CD1 4.08Å; A1784-L1788 HydrophobicContact CB-CG 4.47Å; A1784-L1788 VanDerWaalsContact O-CB 3.27Å; A1784-L1788 WeakPolarHBondContact O-CB 3.43Å; A1784-L1788 VanDerWaalsContact O-CG 3.24Å; A1784-L1788 WeakPolarHBondContact O-CG 3.35Å; A1784-L1788 PolarHBondContact O-N 3.09Å; L1788-V1790 VanDerWaalsContact C-N 3.33Å; L1788-V1790 PolarHBondContact O-N 2.82Å; L1788-L1791 HydrophobicContact CD2-CD1 4.33Å; L1788-L1791 PolarHBondContact O-N 3.03Å; L1788-A1792 VanDerWaalsContact O-CB 3.3Å; L1788-A1792 WeakPolarHBondContact O-CB 3.37Å; L1788-A1792 PolarHBondContact O-N 3.21Å; L1788-L2511 HydrophobicContact CD2-CD2 3.94Å; L1788-V2514 HydrophobicContact CD1-CG1 3.88Å; L1788-L2518 HydrophobicContact CD1-CD1 3.68Å |
| 1789 | P | 94.9 | Very high | 92.4 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.9 | -34.4 | 175 | -22.8 | 35.2 | 0 | 0 | 0 | 113.7 | I1785 E1787 A1792 A1793 T2515 | I1785-P1789 WeakPolarHBondContact O-CD 3.39Å; I1785-P1789 VanDerWaalsContact O-CG 3.22Å; I1785-P1789 WeakPolarHBondContact O-CG 3.23Å; E1787-P1789 VanDerWaalsContact C-CD 3.45Å; P1789-A1792 PolarHBondContact O-N 3.29Å; P1789-A1793 VanDerWaalsContact O-CB 3.29Å; P1789-A1793 WeakPolarHBondContact O-CB 3.31Å; P1789-A1793 PolarHBondContact O-N 3.2Å; P1789-T2515 HydrophobicContact CG-CG2 4.04Å |
| 1790 | V | 92.3 | Very high | 92.2 | Very high | 74.8 Ų | 74.8 | 51.3 Ų | 51.3 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 177.4 | 179 | 0 | 0 | 0 | 0 | 110.1 | N1786 E1787 L1788 A1792 A1793 S1794 I1958 | N1786-V1790 WeakPolarHBondContact O-CG2 3.29Å; E1787-V1790 PolarHBondContact O-N 3.13Å; E1787-V1790 VanDerWaalsContact O-N 3.11Å; L1788-V1790 VanDerWaalsContact C-N 3.33Å; L1788-V1790 PolarHBondContact O-N 2.82Å; V1790-A1792 PolarHBondContact O-N 3.05Å; V1790-A1793 WeakPolarHBondContact O-CB 3.36Å; V1790-A1793 PolarHBondContact O-N 3.08Å; V1790-S1794 PolarHBondContact O-N 2.95Å; V1790-I1958 HydrophobicContact CG1-CG2 3.67Å |
| 1791 | L | 91.6 | Very high | 92 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.8 | -68.8 | 163.5 | 0 | 0 | 0 | 112.1 | R1739 A1742 E1787 L1788 A1793 S1794 L1795 I1955 I1958 | R1739-L1791 HydrophobicContact CB-CD1 4.21Å; R1739-L1791 HydrophobicContact CB-CD2 4.45Å; R1739-L1791 HydrophobicContact CG-CD1 4.23Å; R1739-L1791 HydrophobicContact CG-CD2 4.36Å; A1742-L1791 HydrophobicContact CB-CD1 3.52Å; A1742-L1791 VanDerWaalsContact CB-CD1 3.45Å; E1787-L1791 HydrophobicContact CB-CD1 4.2Å; E1787-L1791 WeakPolarHBondContact O-CD1 3.3Å; E1787-L1791 VanDerWaalsContact O-CG 3.31Å; E1787-L1791 WeakPolarHBondContact O-CG 3.35Å; E1787-L1791 PolarHBondContact O-N 3.12Å; E1787-L1791 VanDerWaalsContact O-N 3.16Å; L1788-L1791 HydrophobicContact CD2-CD1 4.33Å; L1788-L1791 PolarHBondContact O-N 3.03Å; L1791-A1793 VanDerWaalsContact C-N 3.31Å; L1791-A1793 PolarHBondContact O-N 3.25Å; L1791-S1794 WeakPolarHBondContact CA-OG 3.23Å; L1791-S1794 PolarHBondContact O-N 3.28Å; L1791-S1794 VanDerWaalsContact O-N 3.17Å; L1791-S1794 PolarHBondContact O-OG 3.16Å; L1791-S1794 VanDerWaalsContact O-OG 3.04Å; L1791-L1795 WeakPolarHBondContact O-CG 3.41Å; L1791-L1795 PolarHBondContact O-N 3.16Å; L1791-L1795 VanDerWaalsContact O-N 3.09Å; L1791-I1955 HydrophobicContact CD2-CB 4.4Å; L1791-I1955 HydrophobicContact CD2-CG1 4.29Å; L1791-I1955 HydrophobicContact CD2-CG2 3.33Å; L1791-I1958 HydrophobicContact CD2-CD1 3.7Å; L1791-I1958 HydrophobicContact CG-CD1 4.23Å |
| 1792 | A | 92.7 | Very high | 91.6 | Very high | 29.6 Ų | 29.6 | 56.6 Ų | 56.6 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1788 P1789 V1790 S1794 L1795 L1796 F2508 L2511 L2512 | L1788-A1792 VanDerWaalsContact O-CB 3.3Å; L1788-A1792 WeakPolarHBondContact O-CB 3.37Å; L1788-A1792 PolarHBondContact O-N 3.21Å; P1789-A1792 PolarHBondContact O-N 3.29Å; V1790-A1792 PolarHBondContact O-N 3.05Å; A1792-S1794 VanDerWaalsContact C-N 3.33Å; A1792-S1794 PolarHBondContact O-N 3.01Å; A1792-L1795 PolarHBondContact O-N 3.02Å; A1792-L1796 WeakPolarHBondContact O-CD1 3.43Å; A1792-L1796 VanDerWaalsContact O-CG 3.28Å; A1792-L1796 WeakPolarHBondContact O-CG 3.37Å; A1792-L1796 PolarHBondContact O-N 3.02Å; A1792-F2508 HydrophobicContact CB-CD2 3.77Å; A1792-F2508 HydrophobicContact CB-CE2 4.1Å; A1792-F2508 VanDerWaalsContact O-CD2 3.3Å; A1792-F2508 WeakPolarHBondContact O-CD2 3.49Å; A1792-L2511 HydrophobicContact CB-CB 3.97Å; A1792-L2511 HydrophobicContact CB-CD1 4.23Å; A1792-L2512 HydrophobicContact CB-CD2 4.12Å; A1792-L2512 HydrophobicContact CB-CG 4.47Å |
| 1793 | A | 92.2 | Very high | 91.4 | Very high | 43.6 Ų | 43.6 | 57.4 Ų | 57.4 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1789 V1790 L1791 L1795 L1796 V1797 | P1789-A1793 VanDerWaalsContact O-CB 3.29Å; P1789-A1793 WeakPolarHBondContact O-CB 3.31Å; P1789-A1793 PolarHBondContact O-N 3.2Å; V1790-A1793 WeakPolarHBondContact O-CB 3.36Å; V1790-A1793 PolarHBondContact O-N 3.08Å; L1791-A1793 VanDerWaalsContact C-N 3.31Å; L1791-A1793 PolarHBondContact O-N 3.25Å; A1793-L1795 PolarHBondContact O-N 3.17Å; A1793-L1796 CarbonylContact O-C 3.55Å; A1793-L1796 WeakPolarHBondContact O-CB 3.36Å; A1793-L1796 PolarHBondContact O-N 3.17Å; A1793-L1796 VanDerWaalsContact O-N 3.13Å; A1793-V1797 WeakPolarHBondContact O-CG2 3.35Å; A1793-V1797 PolarHBondContact O-N 3.02Å; A1793-V1797 VanDerWaalsContact O-N 3.13Å |
| 1794 | S | 89 | Confident | 91 | Very high | 28.2 Ų | 28.2 | 58.5 Ų | 58.5 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 179.3 | 75.6 | 0 | 0 | 0 | 0 | 112.8 | V1790 L1791 A1792 L1796 V1797 P1798 T1954 I1958 | V1790-S1794 PolarHBondContact O-N 2.95Å; L1791-S1794 WeakPolarHBondContact CA-OG 3.23Å; L1791-S1794 PolarHBondContact O-N 3.28Å; L1791-S1794 VanDerWaalsContact O-N 3.17Å; L1791-S1794 PolarHBondContact O-OG 3.16Å; L1791-S1794 VanDerWaalsContact O-OG 3.04Å; A1792-S1794 VanDerWaalsContact C-N 3.33Å; A1792-S1794 PolarHBondContact O-N 3.01Å; S1794-L1796 VanDerWaalsContact C-N 3.26Å; S1794-L1796 PolarHBondContact O-N 3.08Å; S1794-L1796 VanDerWaalsContact O-N 3.13Å; S1794-V1797 WeakPolarHBondContact O-CB 3.37Å; S1794-V1797 PolarHBondContact O-N 3.04Å; S1794-P1798 VanDerWaalsContact O-CD 3.3Å; S1794-P1798 WeakPolarHBondContact O-CD 3.41Å; S1794-T1954 WeakPolarHBondContact CB-O 3.25Å; S1794-T1954 PolarHBondContact OG-O 3.22Å; S1794-I1958 VanDerWaalsContact OG-CD1 3.3Å; S1794-I1958 WeakPolarHBondContact OG-CD1 3.4Å |
| 1795 | L | 89.3 | Confident | 90.4 | Very high | 47.4 Ų | 47.4 | 63.4 Ų | 63.4 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.8 | -27.4 | 175.6 | -69.2 | 175.7 | 0 | 0 | 0 | 112.9 | L1791 A1792 A1793 M1951 I1955 L2504 T2507 L2511 | L1791-L1795 WeakPolarHBondContact O-CG 3.41Å; L1791-L1795 PolarHBondContact O-N 3.16Å; L1791-L1795 VanDerWaalsContact O-N 3.09Å; A1792-L1795 PolarHBondContact O-N 3.02Å; A1793-L1795 PolarHBondContact O-N 3.17Å; L1795-M1951 HydrophobicContact CD1-CE 4Å; L1795-M1951 HydrophobicContact CD2-CB 4.1Å; L1795-M1951 HydrophobicContact CD2-CE 3.76Å; L1795-M1951 HydrophobicContact CD2-CG 3.93Å; L1795-M1951 HydrophobicContact CG-CE 4.3Å; L1795-I1955 HydrophobicContact CD1-CD1 4.25Å; L1795-I1955 HydrophobicContact CD2-CD1 4.06Å; L1795-I1955 HydrophobicContact CD2-CG1 4.19Å; L1795-I1955 HydrophobicContact CG-CD1 4.27Å; L1795-I1955 HydrophobicContact CG-CG1 4.28Å; L1795-L2504 HydrophobicContact CD2-CD2 4.35Å; L1795-T2507 HydrophobicContact CD1-CG2 3.8Å; L1795-L2511 HydrophobicContact CD1-CD1 3.79Å |
| 1796 | L | 90.6 | Very high | 89.8 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -86.6 | -16.2 | 176.5 | -81.5 | 160.4 | 0 | 0 | 0 | 113.5 | A1792 A1793 S1794 I1799 R1800 F2508 | A1792-L1796 WeakPolarHBondContact O-CD1 3.43Å; A1792-L1796 VanDerWaalsContact O-CG 3.28Å; A1792-L1796 WeakPolarHBondContact O-CG 3.37Å; A1792-L1796 PolarHBondContact O-N 3.02Å; A1793-L1796 CarbonylContact O-C 3.55Å; A1793-L1796 WeakPolarHBondContact O-CB 3.36Å; A1793-L1796 PolarHBondContact O-N 3.17Å; A1793-L1796 VanDerWaalsContact O-N 3.13Å; S1794-L1796 VanDerWaalsContact C-N 3.26Å; S1794-L1796 PolarHBondContact O-N 3.08Å; S1794-L1796 VanDerWaalsContact O-N 3.13Å; L1796-I1799 HydrophobicContact CD1-CB 4.39Å; L1796-I1799 HydrophobicContact CD1-CD1 4.14Å; L1796-I1799 HydrophobicContact CD2-CD1 4.21Å; L1796-I1799 WeakPolarHBondContact O-CB 3.19Å; L1796-I1799 PolarHBondContact O-N 3Å; L1796-R1800 HydrophobicContact CB-CG 4.38Å; L1796-R1800 WeakPolarHBondContact O-CB 3.35Å; L1796-R1800 VanDerWaalsContact O-CG 3.25Å; L1796-R1800 WeakPolarHBondContact O-CG 3.33Å; L1796-R1800 PolarHBondContact O-N 3.09Å; L1796-F2508 HydrophobicContact CD1-CD1 3.87Å; L1796-F2508 HydrophobicContact CD1-CD2 3.62Å; L1796-F2508 HydrophobicContact CD1-CE1 3.73Å; L1796-F2508 HydrophobicContact CD1-CE2 3.47Å; L1796-F2508 VanDerWaalsContact CD1-CE2 3.47Å; L1796-F2508 HydrophobicContact CD1-CG 3.8Å; L1796-F2508 HydrophobicContact CD1-CZ 3.51Å; L1796-F2508 HydrophobicContact CD2-CB 4.13Å; L1796-F2508 HydrophobicContact CD2-CD1 4.37Å; L1796-F2508 HydrophobicContact CD2-CD2 4.46Å; L1796-F2508 HydrophobicContact CD2-CG 4.08Å; L1796-F2508 HydrophobicContact CG-CB 4.3Å; L1796-F2508 HydrophobicContact CG-CD1 4.38Å; L1796-F2508 HydrophobicContact CG-CD2 3.79Å; L1796-F2508 HydrophobicContact CG-CE2 4.14Å; L1796-F2508 HydrophobicContact CG-CG 3.91Å |
| 1797 | V | 90.5 | Very high | 89.1 | Confident | 66.4 Ų | 66.4 | 61.1 Ų | 61.1 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | -178.7 | 167.4 | 0 | 0 | 0 | 0 | 112.2 | A1793 S1794 I1799 R1800 T1801 | A1793-V1797 WeakPolarHBondContact O-CG2 3.35Å; A1793-V1797 PolarHBondContact O-N 3.02Å; A1793-V1797 VanDerWaalsContact O-N 3.13Å; S1794-V1797 WeakPolarHBondContact O-CB 3.37Å; S1794-V1797 PolarHBondContact O-N 3.04Å; V1797-I1799 VanDerWaalsContact C-N 3.27Å; V1797-I1799 PolarHBondContact O-N 3.24Å; V1797-I1799 VanDerWaalsContact O-N 3.15Å; V1797-R1800 PolarHBondContact O-N 3Å; V1797-R1800 VanDerWaalsContact O-N 3.08Å; V1797-T1801 HydrophobicContact CG1-CG2 4.15Å; V1797-T1801 WeakPolarHBondContact O-CB 3.24Å; V1797-T1801 WeakPolarHBondContact O-CG2 3.4Å; V1797-T1801 PolarHBondContact O-N 3.2Å; V1797-T1801 PolarHBondContact O-OG1 3.13Å |
| 1798 | P | 89.1 | Confident | 88.5 | Confident | 24.4 Ų | 24.4 | 61.6 Ų | 61.6 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 178.4 | -25.3 | 35 | 0 | 0 | 0 | 113.2 | S1794 T1801 G1802 T1803 V1804 T1954 | S1794-P1798 VanDerWaalsContact O-CD 3.3Å; S1794-P1798 WeakPolarHBondContact O-CD 3.41Å; P1798-T1801 WeakPolarHBondContact CA-OG1 3.39Å; P1798-T1801 PolarHBondContact O-N 3.39Å; P1798-T1801 PolarHBondContact O-OG1 3.13Å; P1798-G1802 CarbonylContact O-C 3.55Å; P1798-G1802 WeakPolarHBondContact O-CA 3.46Å; P1798-G1802 PolarHBondContact O-N 2.88Å; P1798-T1803 PolarHBondContact O-N 3.06Å; P1798-V1804 VanDerWaalsContact C-CG2 3.48Å; P1798-V1804 HydrophobicContact CB-CG2 4.17Å; P1798-V1804 VanDerWaalsContact O-CG2 3.26Å; P1798-V1804 WeakPolarHBondContact O-CG2 3.42Å; P1798-V1804 PolarHBondContact O-N 3.16Å; P1798-T1954 HydrophobicContact CG-CG2 4.1Å |
| 1799 | I | 89.7 | Confident | 87.9 | Confident | 76.6 Ų | 76.6 | 65 Ų | 65 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 177.6 | -56.1 | 174.2 | 0 | 0 | 0 | 110.3 | L1796 V1797 T1801 G1802 V1804 Q2501 L2504 C2505 | L1796-I1799 HydrophobicContact CD1-CB 4.39Å; L1796-I1799 HydrophobicContact CD1-CD1 4.14Å; L1796-I1799 HydrophobicContact CD2-CD1 4.21Å; L1796-I1799 WeakPolarHBondContact O-CB 3.19Å; L1796-I1799 PolarHBondContact O-N 3Å; V1797-I1799 VanDerWaalsContact C-N 3.27Å; V1797-I1799 PolarHBondContact O-N 3.24Å; V1797-I1799 VanDerWaalsContact O-N 3.15Å; I1799-T1801 VanDerWaalsContact C-N 3.34Å; I1799-T1801 PolarHBondContact O-N 3.01Å; I1799-G1802 PolarHBondContact O-N 3.16Å; I1799-V1804 HydrophobicContact CB-CG2 4.32Å; I1799-V1804 HydrophobicContact CG1-CG2 3.95Å; I1799-Q2501 HydrophobicContact CD1-CB 4.19Å; I1799-Q2501 HydrophobicContact CD1-CG 4.23Å; I1799-Q2501 HydrophobicContact CG1-CG 4.26Å; I1799-Q2501 HydrophobicContact CG2-CG 4.3Å; I1799-L2504 HydrophobicContact CD1-CB 3.9Å; I1799-L2504 HydrophobicContact CD1-CD1 4.14Å; I1799-L2504 HydrophobicContact CG1-CD1 4.05Å; I1799-C2505 VanDerWaalsContact CD1-SG 3.57Å |
| 1800 | R | 90.7 | Very high | 87.3 | Confident | 182 Ų | 182 | 65.1 Ų | 65.1 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.8 | -29.8 | -179.4 | -131.6 | 178.2 | 68.3 | -176.6 | -1.8 | 113.3 | L1796 V1797 | L1796-R1800 HydrophobicContact CB-CG 4.38Å; L1796-R1800 WeakPolarHBondContact O-CB 3.35Å; L1796-R1800 VanDerWaalsContact O-CG 3.25Å; L1796-R1800 WeakPolarHBondContact O-CG 3.33Å; L1796-R1800 PolarHBondContact O-N 3.09Å; V1797-R1800 PolarHBondContact O-N 3Å; V1797-R1800 VanDerWaalsContact O-N 3.08Å |
| 1801 | T | 88.3 | Confident | 86.8 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -90.9 | -10.7 | 177.8 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | V1797 P1798 I1799 T1803 | V1797-T1801 HydrophobicContact CG1-CG2 4.15Å; V1797-T1801 WeakPolarHBondContact O-CB 3.24Å; V1797-T1801 WeakPolarHBondContact O-CG2 3.4Å; V1797-T1801 PolarHBondContact O-N 3.2Å; V1797-T1801 PolarHBondContact O-OG1 3.13Å; P1798-T1801 WeakPolarHBondContact CA-OG1 3.39Å; P1798-T1801 PolarHBondContact O-N 3.39Å; P1798-T1801 PolarHBondContact O-OG1 3.13Å; I1799-T1801 VanDerWaalsContact C-N 3.34Å; I1799-T1801 PolarHBondContact O-N 3.01Å; T1801-T1803 VanDerWaalsContact C-N 3.27Å; T1801-T1803 PolarHBondContact O-N 3.09Å; T1801-T1803 PolarHBondContact OG1-N 2.73Å; T1801-T1803 PolarHBondContact OG1-OG1 3.19Å |
| 1802 | G | 85.5 | Confident | 86.3 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1798 I1799 V1804 | P1798-G1802 CarbonylContact O-C 3.55Å; P1798-G1802 WeakPolarHBondContact O-CA 3.46Å; P1798-G1802 PolarHBondContact O-N 2.88Å; I1799-G1802 PolarHBondContact O-N 3.16Å; G1802-V1804 VanDerWaalsContact C-N 3.29Å; G1802-V1804 PolarHBondContact O-N 3.18Å; G1802-V1804 VanDerWaalsContact O-N 3.1Å |
| 1803 | T | 87 | Confident | 85.8 | Confident | 100.8 Ų | 100.8 | 71 Ų | 71 | 62% | 0.618 | 41% | 0.412 | S | S | * | . | trans | -91 | 28.3 | -178.4 | 63 | 0 | 0 | 0 | 0 | 113.2 | P1798 T1801 R1805 | P1798-T1803 PolarHBondContact O-N 3.06Å; T1801-T1803 VanDerWaalsContact C-N 3.27Å; T1801-T1803 PolarHBondContact O-N 3.09Å; T1801-T1803 PolarHBondContact OG1-N 2.73Å; T1801-T1803 PolarHBondContact OG1-OG1 3.19Å; T1803-R1805 PolarHBondContact O-N 3.03Å; T1803-R1805 VanDerWaalsContact O-N 3.09Å | ||
| 1804 | V | 85.1 | Confident | 85.3 | Confident | 37.8 Ų | 37.8 | 73.6 Ų | 73.6 | 23% | 0.229 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 119.2 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | P1798 I1799 G1802 P1806 I2497 T2500 Q2501 | P1798-V1804 VanDerWaalsContact C-CG2 3.48Å; P1798-V1804 HydrophobicContact CB-CG2 4.17Å; P1798-V1804 VanDerWaalsContact O-CG2 3.26Å; P1798-V1804 WeakPolarHBondContact O-CG2 3.42Å; P1798-V1804 PolarHBondContact O-N 3.16Å; I1799-V1804 HydrophobicContact CB-CG2 4.32Å; I1799-V1804 HydrophobicContact CG1-CG2 3.95Å; G1802-V1804 VanDerWaalsContact C-N 3.29Å; G1802-V1804 PolarHBondContact O-N 3.18Å; G1802-V1804 VanDerWaalsContact O-N 3.1Å; V1804-P1806 WeakPolarHBondContact O-CD 3.2Å; V1804-I2497 HydrophobicContact CB-CG2 4.31Å; V1804-I2497 HydrophobicContact CG1-CG2 4.35Å; V1804-T2500 HydrophobicContact CG1-CG2 3.49Å; V1804-T2500 VanDerWaalsContact CG1-CG2 3.44Å; V1804-Q2501 HydrophobicContact CG1-CG 4.25Å; V1804-Q2501 HydrophobicContact CG2-CG 4.12Å |
| 1805 | R | 82.7 | Confident | 85 | Confident | 105.8 Ų | 105.8 | 77 Ų | 77 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 130.1 | 169.2 | -176.2 | -177.8 | -177.3 | 158.6 | -0.3 | 110.1 | T1803 C1807 N1901 E1903 T2500 | T1803-R1805 PolarHBondContact O-N 3.03Å; T1803-R1805 VanDerWaalsContact O-N 3.09Å; R1805-C1807 PolarHBondContact O-N 3.03Å; R1805-N1901 WeakPolarHBondContact CD-OD1 3.36Å; R1805-N1901 VanDerWaalsContact NH1-CG 3.25Å; R1805-N1901 PolarHBondContact NH1-OD1 3.26Å; R1805-E1903 IonicContact CZ-OE1 3.66Å; R1805-E1903 VanDerWaalsContact CZ-OE1 3.25Å; R1805-E1903 IonicContact NH1-OE1 3.14Å; R1805-E1903 PolarHBondContact NH1-OE1 2.73Å; R1805-E1903 IonicContact NH2-OE1 3.95Å; R1805-E1903 PolarHBondContact NH2-OE1 2.62Å; R1805-T2500 PolarHBondContact O-OG1 3.17Å |
| 1806 | P | 82.2 | Confident | 84.7 | Confident | 82.4 Ų | 82.4 | 77.1 Ų | 77.1 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 133.9 | 173.1 | -16.6 | 28.7 | 0 | 0 | 0 | 111.3 | V1804 C2496 I2497 | V1804-P1806 WeakPolarHBondContact O-CD 3.2Å; P1806-C2496 HydrophobicContact CB-CB 3.74Å; P1806-I2497 HydrophobicContact CB-CG1 3.89Å; P1806-I2497 HydrophobicContact CG-CD1 4.18Å; P1806-I2497 HydrophobicContact CG-CG1 3.71Å |
| 1807 | C | 78.6 | Confident | 84.3 | Confident | 40.8 Ų | 40.8 | 77.1 Ų | 77.1 | 28% | 0.276 | 45% | 0.451 | S | S | . | . | trans | -124.6 | 151.5 | 173.9 | -46.9 | 0 | 0 | 0 | 0 | 110.3 | R1805 C2496 T2500 | R1805-C1807 PolarHBondContact O-N 3.03Å; C1807-C2496 WeakPolarHBondContact O-CA 3.29Å; C1807-C2496 WeakPolarHBondContact O-CB 3.43Å; C1807-T2500 VanDerWaalsContact CB-OG1 3.29Å; C1807-T2500 WeakPolarHBondContact CB-OG1 3.3Å; C1807-T2500 PolarHBondContact N-OG1 2.99Å; C1807-T2500 VanDerWaalsContact N-OG1 3.08Å | ||
| 1808 | A | 82.2 | Confident | 84 | Confident | 36.2 Ų | 36.2 | 78.4 Ų | 78.4 | 30% | 0.299 | 45% | 0.453 | S | S | . | . | trans | -69.2 | 149.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1810 I1941 | A1808-F1810 PolarHBondContact O-N 3.32Å; A1808-I1941 HydrophobicContact CB-CG2 4.21Å; A1808-I1941 VanDerWaalsContact CB-O 3.28Å; A1808-I1941 WeakPolarHBondContact CB-O 3.22Å | ||
| 1809 | P | 81.9 | Confident | 83.8 | Confident | 106.2 Ų | 106.2 | 77.3 Ų | 77.3 | 69% | 0.69 | 45% | 0.446 | S | S | * | . | trans | -66.7 | 134.9 | 171.1 | 28.2 | -34 | 0 | 0 | 0 | 110.9 | T2499 | P1809-T2499 HydrophobicContact CB-CG2 4.16Š| ||
| 1810 | F | 81.9 | Confident | 83.6 | Confident | 56.2 Ų | 56.2 | 74.2 Ų | 74.2 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | trans | -119 | 162.1 | 174.6 | 60.8 | -89 | 0 | 0 | 0 | 110.9 | L1750 E1751 A1808 F1812 L1904 P1944 L1947 Y2503 | L1750-F1810 HydrophobicContact CD1-CZ 3.96Å; L1750-F1810 HydrophobicContact CD2-CZ 4.49Å; L1750-F1810 HydrophobicContact CG-CZ 3.94Å; E1751-F1810 HydrophobicContact CG-CE2 4.17Å; A1808-F1810 PolarHBondContact O-N 3.32Å; F1810-F1812 HydrophobicContact CE2-CD1 4.4Å; F1810-F1812 HydrophobicContact CE2-CE1 4.18Å; F1810-L1904 HydrophobicContact CB-CD1 4.25Å; F1810-P1944 HydrophobicContact CB-CB 4.29Å; F1810-P1944 HydrophobicContact CD1-CB 4.24Å; F1810-P1944 HydrophobicContact CD2-CB 4.46Å; F1810-P1944 HydrophobicContact CG-CB 4.23Å; F1810-L1947 HydrophobicContact CE1-CD2 3.84Å; F1810-L1947 HydrophobicContact CZ-CD2 4.14Å; F1810-Y2503 HydrophobicContact CD1-CD2 4.43Å; F1810-Y2503 AromaticContact CD1-CE2 3.64Å; F1810-Y2503 HydrophobicContact CD1-CE2 3.84Å; F1810-Y2503 AromaticContact CD1-CZ 3.8Å; F1810-Y2503 HydrophobicContact CE1-CD1 4.43Å; F1810-Y2503 AromaticContact CE1-CD2 3.64Å; F1810-Y2503 HydrophobicContact CE1-CD2 3.64Å; F1810-Y2503 HydrophobicContact CE1-CE1 4.14Å; F1810-Y2503 AromaticContact CE1-CE2 3.39Å; F1810-Y2503 HydrophobicContact CE1-CE2 3.39Å; F1810-Y2503 HydrophobicContact CE1-CG 4.22Å; F1810-Y2503 AromaticContact CE1-CZ 3.54Å; F1810-Y2503 HydrophobicContact CE2-CE1 4.28Å; F1810-Y2503 HydrophobicContact CZ-CD1 4.23Å; F1810-Y2503 HydrophobicContact CZ-CD2 4.12Å; F1810-Y2503 AromaticContact CZ-CE1 3.9Å; F1810-Y2503 HydrophobicContact CZ-CE1 4.15Å; F1810-Y2503 AromaticContact CZ-CE2 3.85Å; F1810-Y2503 HydrophobicContact CZ-CE2 4.03Å; F1810-Y2503 HydrophobicContact CZ-CG 4.23Å; F1810-Y2503 AromaticContact CZ-CZ 3.78Å; F1810-Y2503 PolarHBondContact N-OH 2.82Å; F1810-Y2503 PolarHBondContact O-OH 3.2Å | ||
| 1811 | S | 81.4 | Confident | 83.4 | Confident | 112.6 Ų | 112.6 | 68.6 Ų | 68.6 | 79% | 0.787 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 132.3 | 179.3 | -21.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1812 | F | 82.4 | Confident | 83.2 | Confident | 100.2 Ų | 100.2 | 66.3 Ų | 66.3 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 137.4 | 169.4 | -55.2 | -80.8 | 0 | 0 | 0 | 110.8 | L1750 E1751 A1753 F1810 Y2503 | L1750-F1812 VanDerWaalsContact O-CD1 3.27Å; L1750-F1812 WeakPolarHBondContact O-CD1 3.35Å; L1750-F1812 VanDerWaalsContact O-CE1 3.27Å; L1750-F1812 WeakPolarHBondContact O-CE1 3.4Å; E1751-F1812 CarbonylContact O-C 3.39Å; E1751-F1812 VanDerWaalsContact O-CA 3.28Å; E1751-F1812 WeakPolarHBondContact O-CA 3.36Å; A1753-F1812 HydrophobicContact CB-CB 4Å; F1810-F1812 HydrophobicContact CE2-CD1 4.4Å; F1810-F1812 HydrophobicContact CE2-CE1 4.18Å; F1812-Y2503 HydrophobicContact CE1-CD1 4.29Å; F1812-Y2503 AromaticContact CE1-CE1 3.99Å; F1812-Y2503 HydrophobicContact CE1-CE1 4.12Å; F1812-Y2503 HydrophobicContact CE2-CE1 4.3Å; F1812-Y2503 AromaticContact CZ-CD1 3.94Å; F1812-Y2503 HydrophobicContact CZ-CD1 4Å; F1812-Y2503 AromaticContact CZ-CE1 3.63Å; F1812-Y2503 HydrophobicContact CZ-CE1 3.63Å |
| 1813 | T | 82.2 | Confident | 83.3 | Confident | 28.6 Ų | 28.6 | 63.5 Ų | 63.5 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 154.7 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | E1751 L1752 A1753 Q1815 E1818 V1819 | E1751-T1813 PolarHBondContact O-N 3.22Å; E1751-T1813 VanDerWaalsContact O-N 3.09Å; L1752-T1813 CarbonylContact C-O 3.49Å; L1752-T1813 WeakPolarHBondContact CA-O 3.3Å; A1753-T1813 WeakPolarHBondContact CB-O 3.33Å; A1753-T1813 PolarHBondContact N-O 3.05Å; T1813-Q1815 PolarHBondContact OG1-N 3.03Å; T1813-Q1815 VanDerWaalsContact OG1-N 3.09Å; T1813-E1818 WeakPolarHBondContact CB-OE2 3.38Å; T1813-E1818 HydrophobicContact CG2-CB 4.27Å; T1813-E1818 PolarHBondContact OG1-OE2 3.09Å; T1813-V1819 HydrophobicContact CG2-CG2 3.35Å |
| 1814 | S | 80.1 | Confident | 83.4 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 69% | 0.685 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -90.9 | -6.7 | 169 | -16.5 | 0 | 0 | 0 | 0 | 113.1 | Q1756 | Q1756-S1814 PolarHBondContact NE2-O 2.87Š|
| 1815 | Q | 82.6 | Confident | 83.4 | Confident | 98.8 Ų | 98.8 | 65.5 Ų | 65.5 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | trans | -101.3 | 109.6 | -174.9 | -60.8 | -175.1 | 88.5 | 0 | 0 | 111.4 | T1813 S1817 E1818 V1819 | T1813-Q1815 PolarHBondContact OG1-N 3.03Å; T1813-Q1815 VanDerWaalsContact OG1-N 3.09Å; Q1815-S1817 PolarHBondContact O-N 3.19Å; Q1815-S1817 VanDerWaalsContact O-N 3.14Å; Q1815-E1818 HydrophobicContact CB-CB 4.31Å; Q1815-E1818 HydrophobicContact CB-CG 3.88Å; Q1815-E1818 WeakPolarHBondContact CB-OE2 3.46Å; Q1815-E1818 PolarHBondContact NE2-OE1 3.29Å; Q1815-E1818 PolarHBondContact NE2-OE2 3.15Å; Q1815-E1818 VanDerWaalsContact NE2-OE2 3.11Å; Q1815-E1818 PolarHBondContact O-N 2.98Å; Q1815-E1818 VanDerWaalsContact O-N 3.14Å; Q1815-V1819 PolarHBondContact O-N 3.25Å | ||
| 1816 | S | 83.2 | Confident | 83.4 | Confident | 49.6 Ų | 49.6 | 61.4 Ų | 61.4 | 35% | 0.347 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -21.7 | 177.5 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | A1820 | S1816-A1820 VanDerWaalsContact O-CB 3.27Å; S1816-A1820 WeakPolarHBondContact O-CB 3.29Å; S1816-A1820 PolarHBondContact O-N 3.1Å |
| 1817 | S | 83.1 | Confident | 83.5 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 173.2 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | Q1815 A1820 S1821 | Q1815-S1817 PolarHBondContact O-N 3.19Å; Q1815-S1817 VanDerWaalsContact O-N 3.14Å; S1817-A1820 PolarHBondContact O-N 2.92Å; S1817-S1821 WeakPolarHBondContact O-CB 3.22Å; S1817-S1821 PolarHBondContact O-N 3.2Å; S1817-S1821 VanDerWaalsContact O-N 3.1Å; S1817-S1821 PolarHBondContact O-OG 3.37Å |
| 1818 | E | 83.6 | Confident | 83.6 | Confident | 95.4 Ų | 95.4 | 58.6 Ų | 58.6 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.8 | -48.2 | 176.9 | -66.8 | 178.7 | 150.4 | 0 | 0 | 110.1 | T1813 Q1815 A1820 S1821 G1822 | T1813-E1818 WeakPolarHBondContact CB-OE2 3.38Å; T1813-E1818 HydrophobicContact CG2-CB 4.27Å; T1813-E1818 PolarHBondContact OG1-OE2 3.09Å; Q1815-E1818 HydrophobicContact CB-CB 4.31Å; Q1815-E1818 HydrophobicContact CB-CG 3.88Å; Q1815-E1818 WeakPolarHBondContact CB-OE2 3.46Å; Q1815-E1818 PolarHBondContact NE2-OE1 3.29Å; Q1815-E1818 PolarHBondContact NE2-OE2 3.15Å; Q1815-E1818 VanDerWaalsContact NE2-OE2 3.11Å; Q1815-E1818 PolarHBondContact O-N 2.98Å; Q1815-E1818 VanDerWaalsContact O-N 3.14Å; E1818-A1820 PolarHBondContact O-N 3.08Å; E1818-S1821 WeakPolarHBondContact O-CA 3.34Å; E1818-S1821 WeakPolarHBondContact O-CB 3.29Å; E1818-S1821 PolarHBondContact O-N 3.15Å; E1818-S1821 VanDerWaalsContact O-N 3.13Å; E1818-G1822 PolarHBondContact O-N 3.07Å |
| 1819 | V | 84.6 | Confident | 83.3 | Confident | 0.8 Ų | 0.8 | 59 Ų | 59 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 175 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | L1748 E1751 L1752 T1813 Q1815 S1821 G1822 L1823 | L1748-V1819 HydrophobicContact CD2-CB 4.47Å; L1748-V1819 HydrophobicContact CD2-CG1 3.83Å; E1751-V1819 HydrophobicContact CB-CB 4.35Å; E1751-V1819 HydrophobicContact CB-CG1 3.8Å; E1751-V1819 HydrophobicContact CB-CG2 3.66Å; E1751-V1819 HydrophobicContact CG-CG1 4.37Å; L1752-V1819 HydrophobicContact CD2-CG2 3.98Å; L1752-V1819 HydrophobicContact CG-CG2 4.14Å; T1813-V1819 HydrophobicContact CG2-CG2 3.35Å; Q1815-V1819 PolarHBondContact O-N 3.25Å; V1819-S1821 VanDerWaalsContact C-N 3.29Å; V1819-S1821 PolarHBondContact O-N 3.04Å; V1819-G1822 PolarHBondContact O-N 3.25Å; V1819-L1823 WeakPolarHBondContact O-CB 3.39Å; V1819-L1823 PolarHBondContact O-N 3.1Å |
| 1820 | A | 86.5 | Confident | 82.8 | Confident | 11.8 Ų | 11.8 | 56.1 Ų | 56.1 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F1667 C1671 L1769 S1816 S1817 E1818 E1824 | F1667-A1820 HydrophobicContact CE2-CB 4.4Å; F1667-A1820 HydrophobicContact CZ-CB 4.44Å; F1667-A1820 VanDerWaalsContact CZ-O 3.24Å; F1667-A1820 WeakPolarHBondContact CZ-O 3.33Å; C1671-A1820 HydrophobicContact CB-CB 4.44Å; L1769-A1820 HydrophobicContact CD1-CB 4.44Å; S1816-A1820 VanDerWaalsContact O-CB 3.27Å; S1816-A1820 WeakPolarHBondContact O-CB 3.29Å; S1816-A1820 PolarHBondContact O-N 3.1Å; S1817-A1820 PolarHBondContact O-N 2.92Å; E1818-A1820 PolarHBondContact O-N 3.08Å; A1820-E1824 VanDerWaalsContact O-CB 3.26Å; A1820-E1824 WeakPolarHBondContact O-CB 3.4Å; A1820-E1824 PolarHBondContact O-N 3.11Å |
| 1821 | S | 86.2 | Confident | 82.3 | Confident | 63.8 Ų | 63.8 | 55.9 Ų | 55.9 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.8 | -36.4 | 176 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | S1817 E1818 V1819 E1824 L1825 | S1817-S1821 WeakPolarHBondContact O-CB 3.22Å; S1817-S1821 PolarHBondContact O-N 3.2Å; S1817-S1821 VanDerWaalsContact O-N 3.1Å; S1817-S1821 PolarHBondContact O-OG 3.37Å; E1818-S1821 WeakPolarHBondContact O-CA 3.34Å; E1818-S1821 WeakPolarHBondContact O-CB 3.29Å; E1818-S1821 PolarHBondContact O-N 3.15Å; E1818-S1821 VanDerWaalsContact O-N 3.13Å; V1819-S1821 VanDerWaalsContact C-N 3.29Å; V1819-S1821 PolarHBondContact O-N 3.04Å; S1821-E1824 PolarHBondContact O-N 2.75Å; S1821-L1825 WeakPolarHBondContact O-CG 3.34Å; S1821-L1825 PolarHBondContact O-N 3.22Å; S1821-L1825 VanDerWaalsContact O-N 3.12Å |
| 1822 | G | 85 | Confident | 81.5 | Confident | 31.8 Ų | 31.8 | 54.8 Ų | 54.8 | 33% | 0.328 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1818 V1819 E1824 L1825 L1826 | E1818-G1822 PolarHBondContact O-N 3.07Å; V1819-G1822 PolarHBondContact O-N 3.25Å; G1822-E1824 VanDerWaalsContact C-N 3.34Å; G1822-E1824 PolarHBondContact O-N 3.2Å; G1822-L1825 WeakPolarHBondContact O-CB 3.43Å; G1822-L1825 PolarHBondContact O-N 3.29Å; G1822-L1825 VanDerWaalsContact O-N 3.14Å; G1822-L1826 PolarHBondContact O-N 3.06Å; G1822-L1826 VanDerWaalsContact O-N 3.1Å |
| 1823 | L | 87.3 | Confident | 80.6 | Confident | 4.6 Ų | 4.6 | 54.4 Ų | 54.4 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 176.6 | -174.6 | 56.6 | 0 | 0 | 0 | 112.3 | F1667 I1744 L1748 V1819 L1826 I1827 T1948 | F1667-L1823 HydrophobicContact CD2-CD2 3.73Å; F1667-L1823 HydrophobicContact CD2-CG 3.91Å; F1667-L1823 HydrophobicContact CE2-CB 4.06Å; F1667-L1823 HydrophobicContact CE2-CD2 3.91Å; F1667-L1823 HydrophobicContact CE2-CG 3.94Å; I1744-L1823 HydrophobicContact CG2-CD2 4.27Å; L1748-L1823 HydrophobicContact CD2-CD2 4.25Å; V1819-L1823 WeakPolarHBondContact O-CB 3.39Å; V1819-L1823 PolarHBondContact O-N 3.1Å; L1823-L1826 HydrophobicContact CD1-CD2 4.33Å; L1823-L1826 PolarHBondContact O-N 3.19Å; L1823-I1827 HydrophobicContact CD1-CD1 4.15Å; L1823-I1827 HydrophobicContact CD1-CG1 4.36Å; L1823-I1827 HydrophobicContact CG-CD1 4Å; L1823-I1827 WeakPolarHBondContact O-CG1 3.37Å; L1823-I1827 PolarHBondContact O-N 3.14Å; L1823-T1948 HydrophobicContact CD1-CG2 4.36Å |
| 1824 | E | 87.7 | Confident | 79.5 | Confident | 60.6 Ų | 60.6 | 56.3 Ų | 56.3 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 171.3 | 177.2 | 164 | -148.3 | 0 | 0 | 112.2 | F1667 K1672 A1820 S1821 G1822 L1826 N1828 | F1667-E1824 HydrophobicContact CE1-CB 3.75Å; F1667-E1824 HydrophobicContact CE1-CG 4.22Å; F1667-E1824 HydrophobicContact CZ-CB 3.74Å; K1672-E1824 WeakPolarHBondContact CE-OE1 3.24Å; K1672-E1824 VanDerWaalsContact CE-OE2 3.24Å; K1672-E1824 WeakPolarHBondContact CE-OE2 3.32Å; K1672-E1824 IonicContact NZ-OE1 3.03Å; K1672-E1824 PolarHBondContact NZ-OE1 3.28Å; K1672-E1824 IonicContact NZ-OE2 2.99Å; K1672-E1824 PolarHBondContact NZ-OE2 3.09Å; A1820-E1824 VanDerWaalsContact O-CB 3.26Å; A1820-E1824 WeakPolarHBondContact O-CB 3.4Å; A1820-E1824 PolarHBondContact O-N 3.11Å; S1821-E1824 PolarHBondContact O-N 2.75Å; G1822-E1824 VanDerWaalsContact C-N 3.34Å; G1822-E1824 PolarHBondContact O-N 3.2Å; E1824-L1826 VanDerWaalsContact C-N 3.31Å; E1824-L1826 PolarHBondContact O-N 3.29Å; E1824-N1828 VanDerWaalsContact CG-ND2 3.27Å; E1824-N1828 WeakPolarHBondContact CG-ND2 3.27Å; E1824-N1828 VanDerWaalsContact O-CB 3.3Å; E1824-N1828 WeakPolarHBondContact O-CB 3.35Å; E1824-N1828 PolarHBondContact O-N 2.99Å; E1824-N1828 PolarHBondContact O-ND2 3.14Å |
| 1825 | L | 86.2 | Confident | 78.3 | Confident | 121 Ų | 121 | 54 Ų | 54 | 63% | 0.634 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.7 | -39.1 | 177.4 | -73.2 | 169.4 | 0 | 0 | 0 | 111.6 | S1821 G1822 A1829 L1947 | S1821-L1825 WeakPolarHBondContact O-CG 3.34Å; S1821-L1825 PolarHBondContact O-N 3.22Å; S1821-L1825 VanDerWaalsContact O-N 3.12Å; G1822-L1825 WeakPolarHBondContact O-CB 3.43Å; G1822-L1825 PolarHBondContact O-N 3.29Å; G1822-L1825 VanDerWaalsContact O-N 3.14Å; L1825-A1829 VanDerWaalsContact O-CB 3.32Å; L1825-A1829 WeakPolarHBondContact O-CB 3.38Å; L1825-A1829 PolarHBondContact O-N 3.15Å; L1825-L1947 HydrophobicContact CD2-CD2 4.5Å |
| 1826 | L | 83 | Confident | 76.4 | Confident | 19.2 Ų | 19.2 | 56.2 Ų | 56.2 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -54 | 176.1 | 174.1 | 56.2 | 0 | 0 | 0 | 112.3 | G1822 L1823 E1824 N1828 A1829 E1830 L1900 V1902 T1948 L1949 | G1822-L1826 PolarHBondContact O-N 3.06Å; G1822-L1826 VanDerWaalsContact O-N 3.1Å; L1823-L1826 HydrophobicContact CD1-CD2 4.33Å; L1823-L1826 PolarHBondContact O-N 3.19Å; E1824-L1826 VanDerWaalsContact C-N 3.31Å; E1824-L1826 PolarHBondContact O-N 3.29Å; L1826-N1828 VanDerWaalsContact C-N 3.28Å; L1826-N1828 PolarHBondContact O-N 3.12Å; L1826-A1829 WeakPolarHBondContact O-CA 3.36Å; L1826-A1829 WeakPolarHBondContact O-CB 3.29Å; L1826-A1829 PolarHBondContact O-N 3.32Å; L1826-A1829 VanDerWaalsContact O-N 3.1Å; L1826-E1830 HydrophobicContact CD1-CG 4.28Å; L1826-E1830 WeakPolarHBondContact CD1-OE1 3.46Å; L1826-E1830 PolarHBondContact O-N 3.13Å; L1826-L1900 HydrophobicContact CD2-CD2 3.91Å; L1826-V1902 HydrophobicContact CD2-CG2 4.38Å; L1826-T1948 VanDerWaalsContact CD2-CB 3.47Å; L1826-T1948 HydrophobicContact CD2-CG2 3.42Å; L1826-T1948 VanDerWaalsContact CD2-CG2 3.46Å; L1826-L1949 HydrophobicContact CD1-CD1 4.29Å; L1826-L1949 HydrophobicContact CD1-CD2 3.72Å; L1826-L1949 HydrophobicContact CD1-CG 3.69Å |
| 1827 | I | 84.3 | Confident | 75 | Confident | 7.8 Ų | 7.8 | 57.9 Ų | 57.9 | 4% | 0.04 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -40 | 179.5 | -69.1 | 168.7 | 0 | 0 | 0 | 110.8 | D1664 F1667 L1823 R1831 | D1664-I1827 HydrophobicContact CB-CG2 3.79Å; F1667-I1827 HydrophobicContact CB-CD1 3.53Å; F1667-I1827 HydrophobicContact CD1-CD1 3.97Å; F1667-I1827 HydrophobicContact CD2-CD1 3.97Å; F1667-I1827 HydrophobicContact CG-CD1 3.53Å; F1667-I1827 VanDerWaalsContact CG-CD1 3.48Å; L1823-I1827 HydrophobicContact CD1-CD1 4.15Å; L1823-I1827 HydrophobicContact CD1-CG1 4.36Å; L1823-I1827 HydrophobicContact CG-CD1 4Å; L1823-I1827 WeakPolarHBondContact O-CG1 3.37Å; L1823-I1827 PolarHBondContact O-N 3.14Å; I1827-R1831 WeakPolarHBondContact O-CB 3.33Å; I1827-R1831 PolarHBondContact O-N 3.19Å; I1827-R1831 VanDerWaalsContact O-N 3.1Å |
| 1828 | N | 80.6 | Confident | 73.6 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 174.1 | -78.9 | -67.2 | 0 | 0 | 0 | 112.7 | E1824 L1826 R1831 N1832 | E1824-N1828 VanDerWaalsContact CG-ND2 3.27Å; E1824-N1828 WeakPolarHBondContact CG-ND2 3.27Å; E1824-N1828 VanDerWaalsContact O-CB 3.3Å; E1824-N1828 WeakPolarHBondContact O-CB 3.35Å; E1824-N1828 PolarHBondContact O-N 2.99Å; E1824-N1828 PolarHBondContact O-ND2 3.14Å; L1826-N1828 VanDerWaalsContact C-N 3.28Å; L1826-N1828 PolarHBondContact O-N 3.12Å; N1828-R1831 PolarHBondContact O-N 2.9Å; N1828-N1832 VanDerWaalsContact O-CB 3.3Å; N1828-N1832 WeakPolarHBondContact O-CB 3.38Å; N1828-N1832 VanDerWaalsContact O-CG 3.29Å; N1828-N1832 PolarHBondContact O-N 3.1Å; N1828-N1832 PolarHBondContact O-ND2 2.89Å; N1828-N1832 VanDerWaalsContact O-ND2 3.14Å |
| 1829 | A | 75.4 | Confident | 71.6 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1825 L1826 R1831 N1832 N1833 | L1825-A1829 VanDerWaalsContact O-CB 3.32Å; L1825-A1829 WeakPolarHBondContact O-CB 3.38Å; L1825-A1829 PolarHBondContact O-N 3.15Å; L1826-A1829 WeakPolarHBondContact O-CA 3.36Å; L1826-A1829 WeakPolarHBondContact O-CB 3.29Å; L1826-A1829 PolarHBondContact O-N 3.32Å; L1826-A1829 VanDerWaalsContact O-N 3.1Å; A1829-R1831 VanDerWaalsContact C-N 3.32Å; A1829-R1831 PolarHBondContact O-N 3.18Å; A1829-N1832 PolarHBondContact O-N 2.97Å; A1829-N1833 WeakPolarHBondContact O-CB 3.38Å; A1829-N1833 VanDerWaalsContact O-CG 3.27Å; A1829-N1833 PolarHBondContact O-N 3.09Å; A1829-N1833 VanDerWaalsContact O-N 3.08Å; A1829-N1833 PolarHBondContact O-ND2 3.14Å |
| 1830 | E | 72.5 | Confident | 69.6 | Low | 45.4 Ų | 45.4 | 64.1 Ų | 64.1 | 21% | 0.212 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 173.9 | -68.8 | 175.9 | 168.2 | 0 | 0 | 111.5 | L1826 N1832 N1833 F1834 L1949 Q1952 | L1826-E1830 HydrophobicContact CD1-CG 4.28Å; L1826-E1830 WeakPolarHBondContact CD1-OE1 3.46Å; L1826-E1830 PolarHBondContact O-N 3.13Å; E1830-N1832 VanDerWaalsContact C-N 3.33Å; E1830-N1832 PolarHBondContact O-N 3.1Å; E1830-N1833 WeakPolarHBondContact O-CB 3.22Å; E1830-N1833 PolarHBondContact O-N 3.3Å; E1830-F1834 HydrophobicContact CB-CE2 4.42Å; E1830-F1834 WeakPolarHBondContact O-CD2 3.06Å; E1830-F1834 PolarHBondContact O-N 3.09Å; E1830-F1834 VanDerWaalsContact O-N 3.12Å; E1830-L1949 HydrophobicContact CG-CD2 4.13Å; E1830-L1949 WeakPolarHBondContact OE1-CD2 3.36Å; E1830-Q1952 PolarHBondContact OE1-NE2 3.05Å; E1830-Q1952 PolarHBondContact OE1-OE1 2.84Å; E1830-Q1952 PolarHBondContact OE2-NE2 2.95Å |
| 1831 | R | 70.1 | Confident | 67.5 | Low | 51.6 Ų | 51.6 | 66.2 Ų | 66.2 | 20% | 0.195 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.5 | -177 | 176.1 | 172.2 | 97.7 | 13.1 | 112.6 | R1529 E1531 Q1661 D1664 I1827 N1828 A1829 N1833 F1834 T1835 | R1529-R1831 PolarHBondContact O-NH2 3.08Å; E1531-R1831 VanDerWaalsContact CD-NH2 3.25Å; E1531-R1831 IonicContact OE1-CZ 3.18Å; E1531-R1831 VanDerWaalsContact OE1-CZ 3.24Å; E1531-R1831 IonicContact OE1-NE 2.79Å; E1531-R1831 IonicContact OE1-NH1 2.72Å; E1531-R1831 PolarHBondContact OE1-NH1 3.3Å; E1531-R1831 IonicContact OE1-NH2 3.11Å; E1531-R1831 PolarHBondContact OE1-NH2 3.05Å; Q1661-R1831 VanDerWaalsContact OE1-NH1 3.09Å; D1664-R1831 WeakPolarHBondContact OD2-CD 3.4Å; D1664-R1831 IonicContact OD2-CZ 3.84Å; D1664-R1831 IonicContact OD2-NE 2.84Å; D1664-R1831 IonicContact OD2-NH1 3.42Å; D1664-R1831 PolarHBondContact OD2-NH1 3.41Å; I1827-R1831 WeakPolarHBondContact O-CB 3.33Å; I1827-R1831 PolarHBondContact O-N 3.19Å; I1827-R1831 VanDerWaalsContact O-N 3.1Å; N1828-R1831 PolarHBondContact O-N 2.9Å; A1829-R1831 VanDerWaalsContact C-N 3.32Å; A1829-R1831 PolarHBondContact O-N 3.18Å; R1831-N1833 VanDerWaalsContact C-N 3.3Å; R1831-N1833 PolarHBondContact O-N 3.16Å; R1831-F1834 PolarHBondContact O-N 3.1Å; R1831-T1835 WeakPolarHBondContact O-CB 3.37Å; R1831-T1835 PolarHBondContact O-N 2.97Å; R1831-T1835 VanDerWaalsContact O-N 3.09Å; R1831-T1835 PolarHBondContact O-OG1 3.12Å |
| 1832 | N | 65 | Low | 65.3 | Low | 89.8 Ų | 89.8 | 66.5 Ų | 66.5 | 48% | 0.48 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 177.7 | -77.9 | -53.4 | 0 | 0 | 0 | 112.4 | N1828 A1829 E1830 T1835 R1836 I1958 | N1828-N1832 VanDerWaalsContact O-CB 3.3Å; N1828-N1832 WeakPolarHBondContact O-CB 3.38Å; N1828-N1832 VanDerWaalsContact O-CG 3.29Å; N1828-N1832 PolarHBondContact O-N 3.1Å; N1828-N1832 PolarHBondContact O-ND2 2.89Å; N1828-N1832 VanDerWaalsContact O-ND2 3.14Å; A1829-N1832 PolarHBondContact O-N 2.97Å; E1830-N1832 VanDerWaalsContact C-N 3.33Å; E1830-N1832 PolarHBondContact O-N 3.1Å; N1832-T1835 PolarHBondContact O-N 3.2Å; N1832-R1836 VanDerWaalsContact O-CB 3.31Å; N1832-R1836 WeakPolarHBondContact O-CB 3.27Å; N1832-R1836 PolarHBondContact O-N 3.23Å; N1832-I1958 HydrophobicContact CB-CD1 4.27Å |
| 1833 | N | 63.4 | Low | 63.2 | Low | 91.2 Ų | 91.2 | 68 Ų | 68 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.5 | -72.4 | -27.1 | 0 | 0 | 0 | 111.6 | A1829 E1830 R1831 T1835 R1836 Q1837 | A1829-N1833 WeakPolarHBondContact O-CB 3.38Å; A1829-N1833 VanDerWaalsContact O-CG 3.27Å; A1829-N1833 PolarHBondContact O-N 3.09Å; A1829-N1833 VanDerWaalsContact O-N 3.08Å; A1829-N1833 PolarHBondContact O-ND2 3.14Å; E1830-N1833 WeakPolarHBondContact O-CB 3.22Å; E1830-N1833 PolarHBondContact O-N 3.3Å; R1831-N1833 VanDerWaalsContact C-N 3.3Å; R1831-N1833 PolarHBondContact O-N 3.16Å; N1833-T1835 VanDerWaalsContact C-N 3.31Å; N1833-T1835 PolarHBondContact O-N 3.28Å; N1833-R1836 PolarHBondContact O-N 3.07Å; N1833-Q1837 WeakPolarHBondContact O-CG 3.42Å; N1833-Q1837 PolarHBondContact O-N 2.91Å |
| 1834 | F | 58.3 | Low | 60.9 | Low | 68.6 Ų | 68.6 | 73.8 Ų | 73.8 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 173.9 | -164.4 | -86.6 | 0 | 0 | 0 | 111.8 | N1660 E1830 R1831 R1836 Q1837 Q1838 N1895 V1896 | N1660-F1834 WeakPolarHBondContact ND2-CG 3.45Å; E1830-F1834 HydrophobicContact CB-CE2 4.42Å; E1830-F1834 WeakPolarHBondContact O-CD2 3.06Å; E1830-F1834 PolarHBondContact O-N 3.09Å; E1830-F1834 VanDerWaalsContact O-N 3.12Å; R1831-F1834 PolarHBondContact O-N 3.1Å; F1834-R1836 VanDerWaalsContact C-N 3.3Å; F1834-R1836 PolarHBondContact O-N 3.16Å; F1834-Q1837 PolarHBondContact O-N 3.02Å; F1834-Q1838 WeakPolarHBondContact O-CB 3.4Å; F1834-Q1838 PolarHBondContact O-N 3.18Å; F1834-N1895 VanDerWaalsContact CD2-O 3.29Å; F1834-N1895 WeakPolarHBondContact CD2-O 3.19Å; F1834-N1895 WeakPolarHBondContact CE2-O 3.21Å; F1834-V1896 WeakPolarHBondContact CE1-O 3.39Å; F1834-V1896 HydrophobicContact CE2-CG2 4.29Å |
| 1835 | T | 55 | Low | 58.6 | Low | 51 Ų | 51 | 74.5 Ų | 74.5 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | R1831 N1832 N1833 Q1838 L1839 I1958 | R1831-T1835 WeakPolarHBondContact O-CB 3.37Å; R1831-T1835 PolarHBondContact O-N 2.97Å; R1831-T1835 VanDerWaalsContact O-N 3.09Å; R1831-T1835 PolarHBondContact O-OG1 3.12Å; N1832-T1835 PolarHBondContact O-N 3.2Å; N1833-T1835 VanDerWaalsContact C-N 3.31Å; N1833-T1835 PolarHBondContact O-N 3.28Å; T1835-Q1838 PolarHBondContact O-N 3.18Å; T1835-L1839 HydrophobicContact CG2-CD1 4.29Å; T1835-L1839 VanDerWaalsContact O-CG 3.31Å; T1835-L1839 WeakPolarHBondContact O-CG 3.37Å; T1835-L1839 PolarHBondContact O-N 3.14Å; T1835-L1839 VanDerWaalsContact O-N 3.12Å; T1835-I1958 HydrophobicContact CG2-CG2 4.12Å |
| 1836 | R | 44.5 | Very low | 56.4 | Low | 144.6 Ų | 144.6 | 74.2 Ų | 74.2 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 176.4 | -157.8 | 178 | -179 | 166 | 2.5 | 112.3 | N1832 N1833 F1834 Q1838 L1839 L1840 D1957 | N1832-R1836 VanDerWaalsContact O-CB 3.31Å; N1832-R1836 WeakPolarHBondContact O-CB 3.27Å; N1832-R1836 PolarHBondContact O-N 3.23Å; N1833-R1836 PolarHBondContact O-N 3.07Å; F1834-R1836 VanDerWaalsContact C-N 3.3Å; F1834-R1836 PolarHBondContact O-N 3.16Å; R1836-Q1838 VanDerWaalsContact C-N 3.34Å; R1836-Q1838 PolarHBondContact O-N 2.6Å; R1836-L1839 PolarHBondContact O-N 2.95Å; R1836-L1840 HydrophobicContact CG-CD1 4.33Å; R1836-L1840 VanDerWaalsContact O-CG 3.29Å; R1836-L1840 WeakPolarHBondContact O-CG 3.34Å; R1836-L1840 PolarHBondContact O-N 3.01Å; R1836-L1840 VanDerWaalsContact O-N 3.08Å; R1836-D1957 IonicContact CZ-OD2 2.69Å; R1836-D1957 IonicContact NH1-OD2 3.02Å; R1836-D1957 PolarHBondContact NH1-OD2 3.33Å; R1836-D1957 IonicContact NH2-OD2 2.62Å; R1836-D1957 PolarHBondContact NH2-OD2 3.15Å |
| 1837 | Q | 53.6 | Low | 54.2 | Low | 84.8 Ų | 84.8 | 81.2 Ų | 81.2 | 40% | 0.396 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.8 | -74.5 | 173.3 | -24.7 | 0 | 0 | 111.6 | N1833 F1834 L1839 L1840 S1841 V1896 T1899 | N1833-Q1837 WeakPolarHBondContact O-CG 3.42Å; N1833-Q1837 PolarHBondContact O-N 2.91Å; F1834-Q1837 PolarHBondContact O-N 3.02Å; Q1837-L1839 VanDerWaalsContact C-N 3.33Å; Q1837-L1839 PolarHBondContact O-N 3.24Å; Q1837-L1840 PolarHBondContact O-N 2.98Å; Q1837-L1840 VanDerWaalsContact O-N 3.12Å; Q1837-S1841 PolarHBondContact O-N 2.99Å; Q1837-S1841 PolarHBondContact O-OG 3.22Å; Q1837-V1896 HydrophobicContact CB-CB 4.18Å; Q1837-V1896 HydrophobicContact CB-CG1 4.09Å; Q1837-V1896 HydrophobicContact CB-CG2 4.38Å; Q1837-V1896 HydrophobicContact CG-CG1 4.26Å; Q1837-T1899 PolarHBondContact NE2-OG1 3.33Å |
| 1838 | Q | 53 | Low | 52 | Low | 97.4 Ų | 97.4 | 86.1 Ų | 86.1 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.3 | -171.7 | 173.3 | 38.3 | 0 | 0 | 112.6 | F1834 T1835 R1836 S1841 S1842 H1894 | F1834-Q1838 WeakPolarHBondContact O-CB 3.4Å; F1834-Q1838 PolarHBondContact O-N 3.18Å; T1835-Q1838 PolarHBondContact O-N 3.18Å; R1836-Q1838 VanDerWaalsContact C-N 3.34Å; R1836-Q1838 PolarHBondContact O-N 2.6Å; Q1838-S1841 PolarHBondContact O-N 3.09Å; Q1838-S1841 PolarHBondContact O-OG 2.95Å; Q1838-S1842 VanDerWaalsContact O-CB 3.32Å; Q1838-S1842 WeakPolarHBondContact O-CB 3.39Å; Q1838-S1842 PolarHBondContact O-N 3.16Å; Q1838-S1842 VanDerWaalsContact O-N 3.11Å; Q1838-S1842 PolarHBondContact O-OG 3.08Å; Q1838-H1894 PolarHBondContact NE2-NE2 3.02Å |
| 1839 | L | 42.2 | Very low | 49.8 | Very low | 102.2 Ų | 102.2 | 91 Ų | 91 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 174.6 | -73.3 | 168.8 | 0 | 0 | 0 | 113 | T1835 R1836 Q1837 S1842 S1843 | T1835-L1839 HydrophobicContact CG2-CD1 4.29Å; T1835-L1839 VanDerWaalsContact O-CG 3.31Å; T1835-L1839 WeakPolarHBondContact O-CG 3.37Å; T1835-L1839 PolarHBondContact O-N 3.14Å; T1835-L1839 VanDerWaalsContact O-N 3.12Å; R1836-L1839 PolarHBondContact O-N 2.95Å; Q1837-L1839 VanDerWaalsContact C-N 3.33Å; Q1837-L1839 PolarHBondContact O-N 3.24Å; L1839-S1842 PolarHBondContact O-N 3.12Å; L1839-S1843 WeakPolarHBondContact O-CB 3.32Å; L1839-S1843 PolarHBondContact O-N 3.09Å; L1839-S1843 PolarHBondContact O-OG 2.94Å |
| 1840 | L | 42.5 | Very low | 47.9 | Very low | 98 Ų | 98 | 96 Ų | 96 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -50.8 | 176.3 | -73.1 | 166 | 0 | 0 | 0 | 111.2 | R1836 Q1837 S1842 S1843 E1844 | R1836-L1840 HydrophobicContact CG-CD1 4.33Å; R1836-L1840 VanDerWaalsContact O-CG 3.29Å; R1836-L1840 WeakPolarHBondContact O-CG 3.34Å; R1836-L1840 PolarHBondContact O-N 3.01Å; R1836-L1840 VanDerWaalsContact O-N 3.08Å; Q1837-L1840 PolarHBondContact O-N 2.98Å; Q1837-L1840 VanDerWaalsContact O-N 3.12Å; L1840-S1842 VanDerWaalsContact C-N 3.3Å; L1840-S1842 PolarHBondContact O-N 3.14Å; L1840-S1843 CarbonylContact O-C 3.54Å; L1840-S1843 VanDerWaalsContact O-CA 3.32Å; L1840-S1843 WeakPolarHBondContact O-CA 3.26Å; L1840-S1843 VanDerWaalsContact O-CB 3.3Å; L1840-S1843 WeakPolarHBondContact O-CB 3.39Å; L1840-S1843 PolarHBondContact O-N 3.07Å; L1840-E1844 PolarHBondContact O-N 2.91Å; L1840-E1844 VanDerWaalsContact O-N 3.12Å |
| 1841 | S | 41.8 | Very low | 46.1 | Very low | 54.8 Ų | 54.8 | 101.4 Ų | 101.4 | 38% | 0.383 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 178.7 | -12.9 | 0 | 0 | 0 | 0 | 112.5 | Q1837 Q1838 S1843 E1844 A1845 | Q1837-S1841 PolarHBondContact O-N 2.99Å; Q1837-S1841 PolarHBondContact O-OG 3.22Å; Q1838-S1841 PolarHBondContact O-N 3.09Å; Q1838-S1841 PolarHBondContact O-OG 2.95Å; S1841-S1843 PolarHBondContact O-N 3.14Å; S1841-E1844 PolarHBondContact O-N 3.31Å; S1841-A1845 WeakPolarHBondContact O-CB 3.35Å; S1841-A1845 PolarHBondContact O-N 3.13Å; S1841-A1845 VanDerWaalsContact O-N 3.12Å |
| 1842 | S | 39.8 | Very low | 44.5 | Very low | 71.2 Ų | 71.2 | 104.4 Ų | 104.4 | 50% | 0.498 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -26.8 | 172.3 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | Q1838 L1839 L1840 T1846 | Q1838-S1842 VanDerWaalsContact O-CB 3.32Å; Q1838-S1842 WeakPolarHBondContact O-CB 3.39Å; Q1838-S1842 PolarHBondContact O-N 3.16Å; Q1838-S1842 VanDerWaalsContact O-N 3.11Å; Q1838-S1842 PolarHBondContact O-OG 3.08Å; L1839-S1842 PolarHBondContact O-N 3.12Å; L1840-S1842 VanDerWaalsContact C-N 3.3Å; L1840-S1842 PolarHBondContact O-N 3.14Å; S1842-T1846 PolarHBondContact O-OG1 3.12Å |
| 1843 | S | 40.6 | Very low | 43 | Very low | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -88.2 | -13.8 | 179.7 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | L1839 L1840 S1841 T1846 K1847 | L1839-S1843 WeakPolarHBondContact O-CB 3.32Å; L1839-S1843 PolarHBondContact O-N 3.09Å; L1839-S1843 PolarHBondContact O-OG 2.94Å; L1840-S1843 CarbonylContact O-C 3.54Å; L1840-S1843 VanDerWaalsContact O-CA 3.32Å; L1840-S1843 WeakPolarHBondContact O-CA 3.26Å; L1840-S1843 VanDerWaalsContact O-CB 3.3Å; L1840-S1843 WeakPolarHBondContact O-CB 3.39Å; L1840-S1843 PolarHBondContact O-N 3.07Å; S1841-S1843 PolarHBondContact O-N 3.14Å; S1843-T1846 PolarHBondContact O-OG1 3.17Å; S1843-K1847 WeakPolarHBondContact O-CD 3.29Å; S1843-K1847 WeakPolarHBondContact O-CE 3.26Å; S1843-K1847 WeakPolarHBondContact O-CG 3.3Å; S1843-K1847 PolarHBondContact O-NZ 2.88Å |
| 1844 | E | 39.4 | Very low | 41.7 | Very low | 127.4 Ų | 127.4 | 112.2 Ų | 112.2 | 60% | 0.595 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -95 | -38.5 | 176.7 | -69.6 | 176.8 | 145.1 | 0 | 0 | 111.2 | L1840 S1841 T1846 K1847 T1848 | L1840-E1844 PolarHBondContact O-N 2.91Å; L1840-E1844 VanDerWaalsContact O-N 3.12Å; S1841-E1844 PolarHBondContact O-N 3.31Å; E1844-T1846 PolarHBondContact O-N 3.04Å; E1844-K1847 WeakPolarHBondContact O-CA 3.43Å; E1844-K1847 PolarHBondContact O-N 2.95Å; E1844-T1848 PolarHBondContact O-N 3.19Å; E1844-T1848 PolarHBondContact O-OG1 3.2Å |
| 1845 | A | 39 | Very low | 40.3 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -11.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1841 K1847 T1848 | S1841-A1845 WeakPolarHBondContact O-CB 3.35Å; S1841-A1845 PolarHBondContact O-N 3.13Å; S1841-A1845 VanDerWaalsContact O-N 3.12Å; A1845-K1847 PolarHBondContact O-N 3.22Å; A1845-T1848 PolarHBondContact O-OG1 2.99Å |
| 1846 | T | 40.5 | Very low | 39.3 | Very low | 114.4 Ų | 114.4 | 117.6 Ų | 117.6 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 11.5 | 175 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | S1842 S1843 E1844 | S1842-T1846 PolarHBondContact O-OG1 3.12Å; S1843-T1846 PolarHBondContact O-OG1 3.17Å; E1844-T1846 PolarHBondContact O-N 3.04Å |
| 1847 | K | 37.5 | Very low | 38.7 | Very low | 166.4 Ų | 166.4 | 118.3 Ų | 118.3 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -129.8 | -2.5 | -174.5 | -80.6 | 180 | -177.9 | 168.5 | 0 | 115.6 | S1843 E1844 A1845 | S1843-K1847 WeakPolarHBondContact O-CD 3.29Å; S1843-K1847 WeakPolarHBondContact O-CE 3.26Å; S1843-K1847 WeakPolarHBondContact O-CG 3.3Å; S1843-K1847 PolarHBondContact O-NZ 2.88Å; E1844-K1847 WeakPolarHBondContact O-CA 3.43Å; E1844-K1847 PolarHBondContact O-N 2.95Å; A1845-K1847 PolarHBondContact O-N 3.22Å |
| 1848 | T | 36.5 | Very low | 37.7 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -107.1 | 22.7 | -173.5 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | E1844 A1845 | E1844-T1848 PolarHBondContact O-N 3.19Å; E1844-T1848 PolarHBondContact O-OG1 3.2Å; A1845-T1848 PolarHBondContact O-OG1 2.99Å |
| 1849 | D | 35.8 | Very low | 36.7 | Very low | 157.4 Ų | 157.4 | 124.6 Ų | 124.6 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -129.4 | 52.9 | 170.5 | -90.3 | -30.7 | 0 | 0 | 0 | 112.1 | ||
| 1850 | D | 35.8 | Very low | 36.2 | Very low | 151.6 Ų | 151.6 | 128.2 Ų | 128.2 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | trans | -145.8 | 115.1 | 171.8 | -128.1 | -25.3 | 0 | 0 | 0 | 113.2 | ||||
| 1851 | L | 34.9 | Very low | 35.6 | Very low | 158.6 Ų | 158.6 | 128.7 Ų | 128.7 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | trans | 176.7 | 154.9 | 165 | -110 | 71.3 | 0 | 0 | 0 | 113 | ||||
| 1852 | P | 35.6 | Very low | 35.3 | Very low | 114.8 Ų | 114.8 | 133.2 Ų | 133.2 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | cis | -125.3 | 144.7 | -11.3 | 32.5 | -18.2 | 0 | 0 | 0 | 114.8 | ||||
| 1853 | N | 33.8 | Very low | 34.9 | Very low | 141.8 Ų | 141.8 | 136.5 Ų | 136.5 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | -178.2 | 109.3 | 147.4 | -157.8 | 12.1 | 0 | 0 | 0 | 116.5 | ||||
| 1854 | K | 34.8 | Very low | 34.7 | Very low | 201.8 Ų | 201.8 | 140.9 Ų | 140.9 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | 38.8 | 118.8 | 152.8 | -68.4 | 168.8 | -172.7 | 168.6 | 0 | 117.6 | ||||
| 1855 | G | 30.7 | Very low | 34.2 | Very low | 68.4 Ų | 68.4 | 137.7 Ų | 137.7 | 71% | 0.705 | 76% | 0.761 | S | S | * | * | trans | 150.5 | 96.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1856 | I | 34 | Very low | 33.9 | Very low | 164.8 Ų | 164.8 | 145 Ų | 145 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 60.9 | 112.7 | 143.1 | -55.4 | 168.5 | 0 | 0 | 0 | 117.4 | ||||
| 1857 | Q | 31.4 | Very low | 33.4 | Very low | 158.8 Ų | 158.8 | 149.3 Ų | 149.3 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | 58.8 | 134.9 | 80.1 | -96.8 | -174.9 | 8.3 | 0 | 0 | 114.2 | |||||
| 1858 | R | 32.2 | Very low | 33.3 | Very low | 218.8 Ų | 218.8 | 148.5 Ų | 148.5 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | 163.7 | 144.4 | 118.6 | -95 | 164.9 | -155.7 | -151.4 | -0.6 | 112.4 | |||||
| 1859 | S | 32.4 | Very low | 33.1 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | 77.3 | 128.5 | 96.6 | 59.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1860 | M | 31.5 | Very low | 32.8 | Very low | 177.8 Ų | 177.8 | 151.4 Ų | 151.4 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | 154.5 | 157.7 | 78.8 | -67.4 | -157.5 | -73.9 | 0 | 0 | 113.2 | |||||
| 1861 | S | 30.7 | Very low | 32.6 | Very low | 108.2 Ų | 108.2 | 149.4 Ų | 149.4 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | 106.2 | 143.7 | 142.9 | 173.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1862 | I | 34.5 | Very low | 32.4 | Very low | 149.4 Ų | 149.4 | 146.7 Ų | 146.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | cis | -167.4 | 152.9 | 21.6 | -118.4 | 160.6 | 0 | 0 | 0 | 110 | ||||
| 1863 | D | 32.2 | Very low | 32.2 | Very low | 141 Ų | 141 | 151 Ų | 151 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 20.6 | 167 | 160.4 | -96.6 | -38.5 | 0 | 0 | 0 | 121.2 | ||||
| 1864 | D | 34.8 | Very low | 31.9 | Very low | 155.4 Ų | 155.4 | 150.6 Ų | 150.6 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | 119.2 | 139.5 | 123.8 | -114.2 | -31.2 | 0 | 0 | 0 | 117 | |||||
| 1865 | G | 30.6 | Very low | 31.8 | Very low | 59.8 Ų | 59.8 | 148.6 Ų | 148.6 | 62% | 0.616 | 77% | 0.771 | S | S | * | * | trans | 176.9 | 127.1 | 163 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1866 | Y | 32.7 | Very low | 31.5 | Very low | 228.8 Ų | 228.8 | 153 Ų | 153 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 175.8 | 132.9 | 157.7 | -104 | -93.2 | 0 | 0 | 0 | 115.7 | ||||
| 1867 | R | 29.6 | Very low | 31.4 | Very low | 203 Ų | 203 | 150.8 Ų | 150.8 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -42.2 | 145.3 | 164.9 | -71.9 | 179.8 | 170.9 | -162.6 | -0.6 | 116.9 | H1869 | R1867-H1869 PolarHBondContact NH1-NE2 2.7Š| ||
| 1868 | H | 34.3 | Very low | 31.1 | Very low | 149.6 Ų | 149.6 | 147.8 Ų | 147.8 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | 146.7 | 128.1 | 125.2 | -82 | -74.1 | 0 | 0 | 0 | 115.6 | |||||
| 1869 | H | 33.4 | Very low | 31 | Very low | 154.6 Ų | 154.6 | 147.9 Ų | 147.9 | 72% | 0.716 | 77% | 0.768 | S | S | * | * | 67.3 | 112.5 | 122.3 | -80 | -66 | 0 | 0 | 0 | 119.9 | R1867 | R1867-H1869 PolarHBondContact NH1-NE2 2.7Š| |||
| 1870 | H | 29.3 | Very low | 30.8 | Very low | 175.6 Ų | 175.6 | 154.8 Ų | 154.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -25.9 | 125.3 | 140.5 | -74 | -97.3 | 0 | 0 | 0 | 115.6 | S1872 | H1870-S1872 PolarHBondContact ND1-OG 2.92Š| ||
| 1871 | S | 32.1 | Very low | 30.6 | Very low | 109.2 Ų | 109.2 | 152.3 Ų | 152.3 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | -172.2 | 139.4 | 117.3 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1872 | S | 30.4 | Very low | 30.6 | Very low | 102.6 Ų | 102.6 | 152 Ų | 152 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -89.5 | 143.5 | 173.5 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | H1870 | H1870-S1872 PolarHBondContact ND1-OG 2.92Š| ||
| 1873 | F | 31 | Very low | 30.3 | Very low | 203.6 Ų | 203.6 | 150.8 Ų | 150.8 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -132.7 | 156.1 | 134.8 | -94.5 | -79 | 0 | 0 | 0 | 112.2 | E1930 | F1873-E1930 WeakPolarHBondContact CD2-OE1 3.36Å; F1873-E1930 WeakPolarHBondContact CE2-OE1 3.37Å | ||
| 1874 | N | 27.5 | Very low | 30.1 | Very low | 135.4 Ų | 135.4 | 153 Ų | 153 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -134.7 | 128.4 | -168 | 175.2 | 21.2 | 0 | 0 | 0 | 110 | ||||
| 1875 | I | 31.9 | Very low | 29.7 | Very low | 159.4 Ų | 159.4 | 151.2 Ų | 151.2 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -136.5 | 124.5 | 169 | -60.5 | -177.6 | 0 | 0 | 0 | 108.8 | ||||
| 1876 | Q | 25.4 | Very low | 29.6 | Very low | 159.8 Ų | 159.8 | 154.8 Ų | 154.8 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -94.3 | 152.3 | 171.1 | -102.1 | -173.9 | -19.3 | 0 | 0 | 110.4 | ||||
| 1877 | P | 30.9 | Very low | 29.3 | Very low | 119.4 Ų | 119.4 | 150 Ų | 150 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -120.8 | 138.7 | 135.9 | 28.4 | -16.4 | 0 | 0 | 0 | 112.5 | Y1879 | P1877-Y1879 HydrophobicContact CB-CD2 3.9Å; P1877-Y1879 HydrophobicContact CB-CE2 3.84Å; P1877-Y1879 PolarHBondContact O-N 3.43Å | ||
| 1878 | S | 26.4 | Very low | 29.2 | Very low | 94.8 Ų | 94.8 | 146.5 Ų | 146.5 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | -89.9 | 138.9 | 175.1 | 8.3 | 0 | 0 | 0 | 0 | 112.6 | R1880 | S1878-R1880 PolarHBondContact O-N 2.8Š| ||
| 1879 | Y | 28.5 | Very low | 28.8 | Very low | 222.4 Ų | 222.4 | 144 Ų | 144 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -107.3 | 134.4 | 160.5 | -82.4 | -86.4 | 0 | 0 | 0 | 111.5 | P1877 | P1877-Y1879 HydrophobicContact CB-CD2 3.9Å; P1877-Y1879 HydrophobicContact CB-CE2 3.84Å; P1877-Y1879 PolarHBondContact O-N 3.43Å | ||
| 1880 | R | 29.3 | Very low | 28.4 | Very low | 241 Ų | 241 | 141.2 Ų | 141.2 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -108.9 | 131.8 | 155.2 | -96 | -177.9 | 177 | -151 | -1.3 | 111.8 | S1878 A1882 | S1878-R1880 PolarHBondContact O-N 2.8Å; R1880-A1882 PolarHBondContact O-N 2.89Å | ||
| 1881 | S | 27.4 | Very low | 28.4 | Very low | 125.6 Ų | 125.6 | 140.3 Ų | 140.3 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -73.1 | 137.6 | 172.5 | -43.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1882 | A | 30.8 | Very low | 28.2 | Very low | 101.8 Ų | 101.8 | 143.6 Ų | 143.6 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -121 | 139.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108 | R1880 E1884 | R1880-A1882 PolarHBondContact O-N 2.89Å; A1882-E1884 PolarHBondContact O-N 3.11Å | ||
| 1883 | S | 27 | Very low | 28.1 | Very low | 123.2 Ų | 123.2 | 146.2 Ų | 146.2 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | trans | -101.9 | 115.3 | -175.5 | 54.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1884 | E | 28.7 | Very low | 28.2 | Very low | 188.6 Ų | 188.6 | 142.3 Ų | 142.3 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | trans | -137.9 | 144 | 166.2 | -126.3 | 169.8 | -166.5 | 0 | 0 | 110.4 | A1882 V1886 | A1882-E1884 PolarHBondContact O-N 3.11Å; E1884-V1886 PolarHBondContact O-N 2.94Å; E1884-V1886 VanDerWaalsContact O-N 3.08Å | ||
| 1885 | S | 26.4 | Very low | 28.3 | Very low | 117.4 Ų | 117.4 | 140.6 Ų | 140.6 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | trans | -93.5 | 103.7 | -168.4 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | T1887 | S1885-T1887 PolarHBondContact O-N 3.36Š| ||
| 1886 | V | 28.2 | Very low | 28.3 | Very low | 134.2 Ų | 134.2 | 136.4 Ų | 136.4 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -100.1 | 114 | 172.2 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | E1884 V1888 | E1884-V1886 PolarHBondContact O-N 2.94Å; E1884-V1886 VanDerWaalsContact O-N 3.08Å; V1886-V1888 PolarHBondContact O-N 2.84Å | ||
| 1887 | T | 26.2 | Very low | 28.5 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -76.2 | 133.1 | 171.1 | -19.1 | 0 | 0 | 0 | 0 | 110 | S1885 P1889 | S1885-T1887 PolarHBondContact O-N 3.36Å; T1887-P1889 VanDerWaalsContact O-CD 3.24Å; T1887-P1889 WeakPolarHBondContact O-CD 3.37Å | ||
| 1888 | V | 27.8 | Very low | 28.4 | Very low | 129.8 Ų | 129.8 | 131.4 Ų | 131.4 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130.1 | 171.2 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | V1886 S1890 | V1886-V1888 PolarHBondContact O-N 2.84Å; V1888-S1890 PolarHBondContact O-N 3.13Å |
| 1889 | P | 25.8 | Very low | 28.5 | Very low | 97.6 Ų | 97.6 | 131.3 Ų | 131.3 | 63% | 0.634 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 142 | -167.5 | 13.8 | -5 | 0 | 0 | 0 | 112.1 | T1887 M1891 | T1887-P1889 VanDerWaalsContact O-CD 3.24Å; T1887-P1889 WeakPolarHBondContact O-CD 3.37Å; P1889-M1891 PolarHBondContact O-N 3.01Å; P1889-M1891 VanDerWaalsContact O-N 3.16Å |
| 1890 | S | 26.3 | Very low | 28.5 | Very low | 96.4 Ų | 96.4 | 125.4 Ų | 125.4 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | trans | -46.6 | 121.8 | 165.2 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | V1888 R1892 | V1888-S1890 PolarHBondContact O-N 3.13Å; S1890-R1892 PolarHBondContact O-N 3.31Å; S1890-R1892 WeakPolarHBondContact OG-CD 3.45Å; S1890-R1892 WeakPolarHBondContact OG-CG 3.44Å | ||
| 1891 | M | 28 | Very low | 28.4 | Very low | 156.6 Ų | 156.6 | 120 Ų | 120 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | trans | -98.4 | 98.8 | 166.4 | -78.2 | -71.1 | 159.8 | 0 | 0 | 110.4 | P1889 H1893 R2381 | P1889-M1891 PolarHBondContact O-N 3.01Å; P1889-M1891 VanDerWaalsContact O-N 3.16Å; M1891-H1893 PolarHBondContact O-N 2.73Å; M1891-H1893 PolarHBondContact O-ND1 3.16Å; M1891-R2381 PolarHBondContact SD-NH1 2.68Å; M1891-R2381 VanDerWaalsContact SD-NH1 3.4Å | ||
| 1892 | R | 28.1 | Very low | 28.5 | Very low | 179 Ų | 179 | 118.9 Ų | 118.9 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -108.7 | 110.2 | 168 | -74.5 | 173.5 | 175.6 | 171.4 | -2.9 | 111 | D1632 S1890 H1894 | D1632-R1892 PolarHBondContact O-NH1 3.35Å; D1632-R1892 PolarHBondContact O-NH2 3Å; D1632-R1892 IonicContact OD2-CZ 3.62Å; D1632-R1892 IonicContact OD2-NH1 2.65Å; D1632-R1892 PolarHBondContact OD2-NH1 3.31Å; D1632-R1892 IonicContact OD2-NH2 3.84Å; D1632-R1892 PolarHBondContact OD2-NH2 2.71Å; S1890-R1892 PolarHBondContact O-N 3.31Å; S1890-R1892 WeakPolarHBondContact OG-CD 3.45Å; S1890-R1892 WeakPolarHBondContact OG-CG 3.44Å; R1892-H1894 PolarHBondContact O-N 2.85Å | ||
| 1893 | H | 28.5 | Very low | 28.3 | Very low | 156.6 Ų | 156.6 | 121.7 Ų | 121.7 | 73% | 0.725 | 67% | 0.672 | S | S | * | * | trans | -77.3 | 105.6 | 171.7 | -64.5 | -57.3 | 0 | 0 | 0 | 112 | M1891 | M1891-H1893 PolarHBondContact O-N 2.73Å; M1891-H1893 PolarHBondContact O-ND1 3.16Å | ||
| 1894 | H | 32 | Very low | 28.4 | Very low | 122.2 Ų | 122.2 | 123.2 Ų | 123.2 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | trans | -118.5 | 102.9 | 165.5 | -76.8 | -73.3 | 0 | 0 | 0 | 109.4 | D1628 Q1838 R1892 V1896 | D1628-H1894 IonicContact OD1-CE1 2.77Å; D1628-H1894 PolarHBondContact OD1-CE1 3.18Å; D1628-H1894 IonicContact OD1-ND1 2.81Å; D1628-H1894 PolarHBondContact OD1-ND1 3.48Å; D1628-H1894 IonicContact OD1-NE2 2.68Å; Q1838-H1894 PolarHBondContact NE2-NE2 3.02Å; R1892-H1894 PolarHBondContact O-N 2.85Å; H1894-V1896 PolarHBondContact O-N 3.09Å; H1894-V1896 VanDerWaalsContact O-N 3.16Å | ||
| 1895 | N | 30.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | trans | -78.9 | 115.5 | 169 | -67.3 | -0.9 | 0 | 0 | 0 | 108.5 | F1834 I1897 | F1834-N1895 VanDerWaalsContact CD2-O 3.29Å; F1834-N1895 WeakPolarHBondContact CD2-O 3.19Å; F1834-N1895 WeakPolarHBondContact CE2-O 3.21Å; N1895-I1897 HydrophobicContact CB-CG1 4.21Å; N1895-I1897 PolarHBondContact O-N 3Å; N1895-I1897 VanDerWaalsContact O-N 3.07Å | ||
| 1896 | V | 32.4 | Very low | 28.5 | Very low | 71 Ų | 71 | 119 Ų | 119 | 43% | 0.43 | 66% | 0.661 | S | S | . | * | trans | -85.6 | 111.2 | 171.7 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | F1652 L1653 Q1656 F1834 Q1837 H1894 S1898 | F1652-V1896 HydrophobicContact CD1-CG2 4.29Å; F1652-V1896 HydrophobicContact CD2-CG2 4.22Å; F1652-V1896 HydrophobicContact CE2-CG2 4.46Å; F1652-V1896 HydrophobicContact CG-CG2 4.14Å; L1653-V1896 HydrophobicContact CD2-CB 3.85Å; L1653-V1896 WeakPolarHBondContact CD2-O 3.22Å; Q1656-V1896 PolarHBondContact OE1-O 2.84Å; F1834-V1896 WeakPolarHBondContact CE1-O 3.39Å; F1834-V1896 HydrophobicContact CE2-CG2 4.29Å; Q1837-V1896 HydrophobicContact CB-CB 4.18Å; Q1837-V1896 HydrophobicContact CB-CG1 4.09Å; Q1837-V1896 HydrophobicContact CB-CG2 4.38Å; Q1837-V1896 HydrophobicContact CG-CG1 4.26Å; H1894-V1896 PolarHBondContact O-N 3.09Å; H1894-V1896 VanDerWaalsContact O-N 3.16Å; V1896-S1898 PolarHBondContact O-N 3.02Å | ||
| 1897 | I | 28.5 | Very low | 28.5 | Very low | 101.8 Ų | 101.8 | 118.1 Ų | 118.1 | 52% | 0.522 | 66% | 0.661 | S | S | . | * | trans | -89.4 | 125.1 | 180 | -55.6 | 174.5 | 0 | 0 | 0 | 109.1 | N1895 T1899 | N1895-I1897 HydrophobicContact CB-CG1 4.21Å; N1895-I1897 PolarHBondContact O-N 3Å; N1895-I1897 VanDerWaalsContact O-N 3.07Å; I1897-T1899 VanDerWaalsContact C-N 3.33Å; I1897-T1899 HydrophobicContact CB-CG2 4.19Å; I1897-T1899 HydrophobicContact CD1-CG2 4.48Å; I1897-T1899 HydrophobicContact CG2-CG2 3.82Å; I1897-T1899 WeakPolarHBondContact O-CG2 3.34Å; I1897-T1899 PolarHBondContact O-N 3.18Å; I1897-T1899 PolarHBondContact O-OG1 2.91Å | ||
| 1898 | S | 28.9 | Very low | 28.8 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 52% | 0.517 | 67% | 0.665 | S | S | . | * | trans | -59.6 | 102.3 | 169.4 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | Q1656 V1896 L1900 | Q1656-S1898 PolarHBondContact NE2-OG 3.3Å; Q1656-S1898 VanDerWaalsContact NE2-OG 3.14Å; V1896-S1898 PolarHBondContact O-N 3.02Å; S1898-L1900 VanDerWaalsContact C-N 3.29Å; S1898-L1900 PolarHBondContact O-N 3.08Å | ||
| 1899 | T | 30 | Very low | 28.9 | Very low | 92.4 Ų | 92.4 | 120.4 Ų | 120.4 | 57% | 0.567 | 66% | 0.662 | S | S | * | * | trans | -90 | 87.1 | -165.5 | 41.5 | 0 | 0 | 0 | 0 | 113.6 | Q1837 I1897 N1901 | Q1837-T1899 PolarHBondContact NE2-OG1 3.33Å; I1897-T1899 VanDerWaalsContact C-N 3.33Å; I1897-T1899 HydrophobicContact CB-CG2 4.19Å; I1897-T1899 HydrophobicContact CD1-CG2 4.48Å; I1897-T1899 HydrophobicContact CG2-CG2 3.82Å; I1897-T1899 WeakPolarHBondContact O-CG2 3.34Å; I1897-T1899 PolarHBondContact O-N 3.18Å; I1897-T1899 PolarHBondContact O-OG1 2.91Å; T1899-N1901 WeakPolarHBondContact CB-ND2 3.43Å; T1899-N1901 PolarHBondContact O-N 2.93Å; T1899-N1901 PolarHBondContact OG1-ND2 2.73Å | ||
| 1900 | L | 27 | Very low | 29.2 | Very low | 97.2 Ų | 97.2 | 121.2 Ų | 121.2 | 51% | 0.509 | 67% | 0.667 | S | S | . | * | trans | -114 | 55.9 | 157.2 | -88.5 | 178.5 | 0 | 0 | 0 | 111.8 | L1826 S1898 V1902 L1949 | L1826-L1900 HydrophobicContact CD2-CD2 3.91Å; S1898-L1900 VanDerWaalsContact C-N 3.29Å; S1898-L1900 PolarHBondContact O-N 3.08Å; L1900-V1902 HydrophobicContact CD2-CG2 4.44Å; L1900-V1902 PolarHBondContact O-N 3.22Å; L1900-L1949 HydrophobicContact CD1-CD1 3.91Å; L1900-L1949 HydrophobicContact CD1-CD2 4.4Å | ||
| 1901 | N | 28.1 | Very low | 29.5 | Very low | 129.6 Ų | 129.6 | 123.1 Ų | 123.1 | 69% | 0.693 | 68% | 0.675 | S | S | * | * | trans | -87.2 | 93 | 172 | -138.8 | 33.5 | 0 | 0 | 0 | 109.6 | R1805 T1899 E1903 | R1805-N1901 WeakPolarHBondContact CD-OD1 3.36Å; R1805-N1901 VanDerWaalsContact NH1-CG 3.25Å; R1805-N1901 PolarHBondContact NH1-OD1 3.26Å; T1899-N1901 WeakPolarHBondContact CB-ND2 3.43Å; T1899-N1901 PolarHBondContact O-N 2.93Å; T1899-N1901 PolarHBondContact OG1-ND2 2.73Å; N1901-E1903 PolarHBondContact O-N 3.12Å | ||
| 1902 | V | 29.4 | Very low | 29.8 | Very low | 101.8 Ų | 101.8 | 120.6 Ų | 120.6 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | trans | -102.4 | 98.4 | 172.7 | 179.1 | 0 | 0 | 0 | 0 | 108 | L1826 L1900 L1904 | L1826-V1902 HydrophobicContact CD2-CG2 4.38Å; L1900-V1902 HydrophobicContact CD2-CG2 4.44Å; L1900-V1902 PolarHBondContact O-N 3.22Å; V1902-L1904 HydrophobicContact CG1-CD1 4Å; V1902-L1904 HydrophobicContact CG1-CG 4.13Å; V1902-L1904 PolarHBondContact O-N 3.08Å; V1902-L1904 VanDerWaalsContact O-N 3.13Å | ||
| 1903 | E | 26.7 | Very low | 30 | Very low | 159.8 Ų | 159.8 | 119.3 Ų | 119.3 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | trans | -72.5 | 106.9 | 174.8 | -83 | -179.7 | 111.2 | 0 | 0 | 110.1 | R1805 N1901 S1905 | R1805-E1903 IonicContact CZ-OE1 3.66Å; R1805-E1903 VanDerWaalsContact CZ-OE1 3.25Å; R1805-E1903 IonicContact NH1-OE1 3.14Å; R1805-E1903 PolarHBondContact NH1-OE1 2.73Å; R1805-E1903 IonicContact NH2-OE1 3.95Å; R1805-E1903 PolarHBondContact NH2-OE1 2.62Å; N1901-E1903 PolarHBondContact O-N 3.12Å; E1903-S1905 VanDerWaalsContact C-N 3.31Å; E1903-S1905 PolarHBondContact O-N 3.1Å; E1903-S1905 VanDerWaalsContact O-N 3.1Å | ||
| 1904 | L | 28.5 | Very low | 30.3 | Very low | 155.2 Ų | 155.2 | 117.4 Ų | 117.4 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | trans | -86.6 | 83 | 169.4 | -75.2 | 167.4 | 0 | 0 | 0 | 109.4 | F1810 V1902 S1906 | F1810-L1904 HydrophobicContact CB-CD1 4.25Å; V1902-L1904 HydrophobicContact CG1-CD1 4Å; V1902-L1904 HydrophobicContact CG1-CG 4.13Å; V1902-L1904 PolarHBondContact O-N 3.08Å; V1902-L1904 VanDerWaalsContact O-N 3.13Å; L1904-S1906 PolarHBondContact O-N 3.35Å | ||
| 1905 | S | 29 | Very low | 30.5 | Very low | 105.2 Ų | 105.2 | 119.1 Ų | 119.1 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 127.4 | 173.9 | 9.2 | 0 | 0 | 0 | 0 | 110.5 | E1903 S1907 | E1903-S1905 VanDerWaalsContact C-N 3.31Å; E1903-S1905 PolarHBondContact O-N 3.1Å; E1903-S1905 VanDerWaalsContact O-N 3.1Å; S1905-S1907 PolarHBondContact O-N 3.18Å |
| 1906 | S | 28.6 | Very low | 30.6 | Very low | 112.2 Ų | 112.2 | 122.2 Ų | 122.2 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 139.3 | -173.4 | 67 | 0 | 0 | 0 | 0 | 112.7 | L1904 H1908 | L1904-S1906 PolarHBondContact O-N 3.35Å; S1906-H1908 PolarHBondContact O-N 3.39Å |
| 1907 | S | 28.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.7 | 175.3 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | S1905 V1909 | S1905-S1907 PolarHBondContact O-N 3.18Å; S1907-V1909 PolarHBondContact O-N 3.23Å |
| 1908 | H | 31.8 | Very low | 31.1 | Very low | 186 Ų | 186 | 125.8 Ų | 125.8 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 133.8 | 174.3 | -119.7 | -81.6 | 0 | 0 | 0 | 111.6 | S1906 P1910 | S1906-H1908 PolarHBondContact O-N 3.39Å; H1908-P1910 WeakPolarHBondContact O-CD 3.01Å |
| 1909 | V | 30.7 | Very low | 31.3 | Very low | 121.6 Ų | 121.6 | 127.5 Ų | 127.5 | 74% | 0.737 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -93 | 129 | 173 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | S1907 T1911 | S1907-V1909 PolarHBondContact O-N 3.23Å; V1909-T1911 PolarHBondContact O-N 3.13Å |
| 1910 | P | 32.7 | Very low | 31.5 | Very low | 113.8 Ų | 113.8 | 129.1 Ų | 129.1 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | -83.3 | 130.5 | 175 | 32.4 | -32.7 | 0 | 0 | 0 | 111.5 | H1908 S1912 | H1908-P1910 WeakPolarHBondContact O-CD 3.01Å; P1910-S1912 PolarHBondContact O-N 3.48Å; P1910-S1912 VanDerWaalsContact O-N 3.14Å | ||
| 1911 | T | 32.7 | Very low | 31.7 | Very low | 135.2 Ų | 135.2 | 133.3 Ų | 133.3 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -93.1 | 137.8 | 167.6 | 41.5 | 0 | 0 | 0 | 0 | 110.5 | V1909 D1913 | V1909-T1911 PolarHBondContact O-N 3.13Å; T1911-D1913 PolarHBondContact O-N 2.92Å | ||
| 1912 | S | 32.3 | Very low | 31.8 | Very low | 105.6 Ų | 105.6 | 137.4 Ų | 137.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 132 | 175 | -39.5 | 0 | 0 | 0 | 0 | 112.9 | P1910 | P1910-S1912 PolarHBondContact O-N 3.48Å; P1910-S1912 VanDerWaalsContact O-N 3.14Å | ||
| 1913 | D | 33.8 | Very low | 31.8 | Very low | 151.6 Ų | 151.6 | 137.9 Ų | 137.9 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | -135.1 | 140 | 122.5 | -98.1 | -40.6 | 0 | 0 | 0 | 112.7 | T1911 | T1911-D1913 PolarHBondContact O-N 2.92Š| |||
| 1914 | T | 33.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | 64.1 | 122.7 | 141.4 | -1.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1915 | L | 36.2 | Very low | 32.2 | Very low | 156.6 Ų | 156.6 | 135.3 Ų | 135.3 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | 118.6 | 116.3 | 137.9 | -81.3 | 163.1 | 0 | 0 | 0 | 118.3 | ||||
| 1916 | E | 34.2 | Very low | 32.3 | Very low | 163.8 Ų | 163.8 | 139.2 Ų | 139.2 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 51.7 | 152.6 | 147.7 | -70.4 | -68 | 97.1 | 0 | 0 | 120.7 | ||||
| 1917 | P | 37.8 | Very low | 32.4 | Very low | 101.8 Ų | 101.8 | 139.1 Ų | 139.1 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | -104.7 | 170.9 | -165.2 | 41.7 | -36.3 | 0 | 0 | 0 | 114.3 | ||||
| 1918 | D | 33.1 | Very low | 32.5 | Very low | 146.6 Ų | 146.6 | 140.7 Ų | 140.7 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | -161.3 | 157.8 | 129.5 | -130.3 | -26.4 | 0 | 0 | 0 | 115.6 | |||||
| 1919 | T | 33.6 | Very low | 32.5 | Very low | 109.6 Ų | 109.6 | 139.1 Ų | 139.1 | 67% | 0.672 | 77% | 0.767 | S | S | * | * | trans | 11.7 | 129.7 | 166 | 55 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1920 | T | 33.5 | Very low | 32.4 | Very low | 126.8 Ų | 126.8 | 142 Ų | 142 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | 117.5 | 134.8 | 113.6 | 48 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1921 | K | 30 | Very low | 32.4 | Very low | 184.4 Ų | 184.4 | 142.6 Ų | 142.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 38 | 133.8 | 145.8 | -66 | -178.8 | 177.3 | 179.6 | 0 | 118 | ||||
| 1922 | Y | 30.5 | Very low | 32.2 | Very low | 214.8 Ų | 214.8 | 140.6 Ų | 140.6 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | 137.4 | 135.4 | 135.7 | -93 | -89.5 | 0 | 0 | 0 | 115.8 | ||||
| 1923 | T | 30.6 | Very low | 32 | Very low | 113.8 Ų | 113.8 | 140.4 Ų | 140.4 | 70% | 0.698 | 77% | 0.77 | S | S | * | * | trans | 98.7 | 123.1 | 148.2 | 53.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1924 | H | 33.1 | Very low | 31.8 | Very low | 179.8 Ų | 179.8 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | -173.9 | 128.5 | 122.2 | -108.8 | -91.1 | 0 | 0 | 0 | 110.4 | |||||
| 1925 | A | 30.9 | Very low | 31.6 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | 78.7 | 101.4 | 90.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1926 | E | 31.1 | Very low | 31.3 | Very low | 186.2 Ų | 186.2 | 137.2 Ų | 137.2 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | -145.9 | 136.6 | 136 | -97.6 | 172.9 | -170.5 | 0 | 0 | 113.2 | N1928 | E1926-N1928 VanDerWaalsContact C-N 3.32Å; E1926-N1928 PolarHBondContact O-N 3.4Å; E1926-N1928 PolarHBondContact OE2-ND2 3.03Å | ||
| 1927 | S | 30.9 | Very low | 31.2 | Very low | 109.6 Ų | 109.6 | 135.7 Ų | 135.7 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -120.1 | 129.1 | 164.9 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | I1929 | S1927-I1929 PolarHBondContact O-N 3.41Š| ||
| 1928 | N | 29.5 | Very low | 30.9 | Very low | 148.4 Ų | 148.4 | 136.3 Ų | 136.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -121.1 | 135.3 | 163.3 | -80.1 | -45.1 | 0 | 0 | 0 | 113.4 | E1926 | E1926-N1928 VanDerWaalsContact C-N 3.32Å; E1926-N1928 PolarHBondContact O-N 3.4Å; E1926-N1928 PolarHBondContact OE2-ND2 3.03Å | ||
| 1929 | I | 31.7 | Very low | 30.9 | Very low | 153.6 Ų | 153.6 | 133.3 Ų | 133.3 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -107.5 | 112.5 | 163.9 | -57.8 | 172.8 | 0 | 0 | 0 | 110.3 | S1927 V1931 | S1927-I1929 PolarHBondContact O-N 3.41Å; I1929-V1931 VanDerWaalsContact C-N 3.34Å; I1929-V1931 HydrophobicContact CG2-CG2 4.15Å; I1929-V1931 PolarHBondContact O-N 3.17Å; I1929-V1931 VanDerWaalsContact O-N 3.12Å | ||
| 1930 | E | 29.2 | Very low | 30.9 | Very low | 182.2 Ų | 182.2 | 131.6 Ų | 131.6 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -94.8 | 118.3 | 173.2 | -125.9 | 173 | -179.4 | 0 | 0 | 112.1 | F1873 A1932 | F1873-E1930 WeakPolarHBondContact CD2-OE1 3.36Å; F1873-E1930 WeakPolarHBondContact CE2-OE1 3.37Å; E1930-A1932 PolarHBondContact O-N 2.85Å | ||
| 1931 | V | 31.1 | Very low | 31.2 | Very low | 126.2 Ų | 126.2 | 132.3 Ų | 132.3 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -97.6 | 114.6 | 170.4 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | I1929 S1933 | I1929-V1931 VanDerWaalsContact C-N 3.34Å; I1929-V1931 HydrophobicContact CG2-CG2 4.15Å; I1929-V1931 PolarHBondContact O-N 3.17Å; I1929-V1931 VanDerWaalsContact O-N 3.12Å; V1931-S1933 PolarHBondContact O-N 3.25Å; V1931-S1933 VanDerWaalsContact O-N 3.1Å | ||
| 1932 | A | 29.3 | Very low | 31.7 | Very low | 93.4 Ų | 93.4 | 131.1 Ų | 131.1 | 77% | 0.772 | 74% | 0.744 | S | S | * | * | trans | -79.1 | 117.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1930 | E1930-A1932 PolarHBondContact O-N 2.85Š| ||
| 1933 | S | 28.1 | Very low | 32.3 | Very low | 102.2 Ų | 102.2 | 124.3 Ų | 124.3 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | trans | -57.8 | 150.1 | 165.6 | -48.4 | 0 | 0 | 0 | 0 | 113.8 | V1931 T1935 | V1931-S1933 PolarHBondContact O-N 3.25Å; V1931-S1933 VanDerWaalsContact O-N 3.1Å; S1933-T1935 PolarHBondContact O-N 2.97Å | ||
| 1934 | P | 29.5 | Very low | 33 | Very low | 111.6 Ų | 111.6 | 121.6 Ų | 121.6 | 73% | 0.725 | 71% | 0.706 | S | S | * | * | trans | -84 | 122 | 167.9 | 31.4 | -32.8 | 0 | 0 | 0 | 112.4 | T1936 | P1934-T1936 PolarHBondContact O-N 3.2Å; P1934-T1936 VanDerWaalsContact O-N 3.16Å | ||
| 1935 | T | 30.4 | Very low | 33.9 | Very low | 124.2 Ų | 124.2 | 114.4 Ų | 114.4 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | trans | -58.4 | 102.7 | 168.8 | 24 | 0 | 0 | 0 | 0 | 112.1 | S1933 V1937 | S1933-T1935 PolarHBondContact O-N 2.97Å; T1935-V1937 PolarHBondContact O-N 3.29Å; T1935-V1937 VanDerWaalsContact O-N 3.15Å | ||
| 1936 | T | 29.2 | Very low | 34.8 | Very low | 122.2 Ų | 122.2 | 113.1 Ų | 113.1 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | trans | -63.1 | 114.8 | 166.6 | -50.5 | 0 | 0 | 0 | 0 | 109.7 | P1934 T1938 | P1934-T1936 PolarHBondContact O-N 3.2Å; P1934-T1936 VanDerWaalsContact O-N 3.16Å; T1936-T1938 PolarHBondContact O-N 3.2Å; T1936-T1938 VanDerWaalsContact O-N 3.11Å | ||
| 1937 | V | 32.3 | Very low | 35.7 | Very low | 130.6 Ų | 130.6 | 105.5 Ų | 105.5 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | trans | -83 | 100.2 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | T1935 P1939 | T1935-V1937 PolarHBondContact O-N 3.29Å; T1935-V1937 VanDerWaalsContact O-N 3.15Å; V1937-P1939 WeakPolarHBondContact O-CD 3.45Å | ||
| 1938 | T | 32.1 | Very low | 36.8 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 71% | 0.706 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -68 | 123.2 | 165.9 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | T1936 S1940 | T1936-T1938 PolarHBondContact O-N 3.2Å; T1936-T1938 VanDerWaalsContact O-N 3.11Å; T1938-S1940 PolarHBondContact O-N 3.1Å |
| 1939 | P | 31.9 | Very low | 38 | Very low | 83.8 Ų | 83.8 | 96.4 Ų | 96.4 | 54% | 0.544 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 132.5 | 173.8 | 27 | -33.4 | 0 | 0 | 0 | 109.3 | V1937 D1943 L1946 | V1937-P1939 WeakPolarHBondContact O-CD 3.45Å; P1939-D1943 HydrophobicContact CB-CB 4.48Å; P1939-L1946 HydrophobicContact CB-CD2 4Å; P1939-L1946 HydrophobicContact CB-CG 4.31Å; P1939-L1946 HydrophobicContact CG-CD2 3.57Å; P1939-L1946 HydrophobicContact CG-CG 4.38Å |
| 1940 | S | 33.8 | Very low | 39 | Very low | 74 Ų | 74 | 91.3 Ų | 91.3 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 149.3 | 175.8 | 73.6 | 0 | 0 | 0 | 0 | 110.4 | T1938 H1942 D1943 | T1938-S1940 PolarHBondContact O-N 3.1Å; S1940-H1942 PolarHBondContact O-N 3.28Å; S1940-D1943 WeakPolarHBondContact O-CB 3.42Å; S1940-D1943 PolarHBondContact O-N 2.99Å; S1940-D1943 VanDerWaalsContact O-N 3.11Å |
| 1941 | I | 40.1 | Very low | 40.1 | Very low | 142.2 Ų | 142.2 | 83.8 Ų | 83.8 | 73% | 0.729 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -5.3 | -178.6 | -66.1 | 169.5 | 0 | 0 | 0 | 113.1 | A1808 | A1808-I1941 HydrophobicContact CB-CG2 4.21Å; A1808-I1941 VanDerWaalsContact CB-O 3.28Å; A1808-I1941 WeakPolarHBondContact CB-O 3.22Å |
| 1942 | H | 41.1 | Very low | 41.2 | Very low | 158.4 Ų | 158.4 | 79.1 Ų | 79.1 | 73% | 0.733 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2 | 179.2 | -64.7 | -63.7 | 0 | 0 | 0 | 115.1 | S1940 P1944 | S1940-H1942 PolarHBondContact O-N 3.28Å; H1942-P1944 VanDerWaalsContact O-CD 3.29Å; H1942-P1944 WeakPolarHBondContact O-CD 3.42Å |
| 1943 | D | 42.5 | Very low | 42.2 | Very low | 72.4 Ų | 72.4 | 77 Ų | 77 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | trans | -84.3 | 116.5 | -176.3 | -166.6 | -12.5 | 0 | 0 | 0 | 112 | P1939 S1940 S1945 L1946 | P1939-D1943 HydrophobicContact CB-CB 4.48Å; S1940-D1943 WeakPolarHBondContact O-CB 3.42Å; S1940-D1943 PolarHBondContact O-N 2.99Å; S1940-D1943 VanDerWaalsContact O-N 3.11Å; D1943-S1945 PolarHBondContact O-N 3.15Å; D1943-S1945 VanDerWaalsContact O-N 3.13Å; D1943-S1945 VanDerWaalsContact OD1-CB 3.25Å; D1943-S1945 WeakPolarHBondContact OD1-CB 3.3Å; D1943-S1945 PolarHBondContact OD1-N 3.03Å; D1943-S1945 PolarHBondContact OD1-OG 3.01Å; D1943-S1945 WeakPolarHBondContact OD2-CB 3.42Å; D1943-S1945 PolarHBondContact OD2-OG 3.28Å; D1943-L1946 WeakPolarHBondContact O-CB 3.06Å; D1943-L1946 PolarHBondContact O-N 2.95Å; D1943-L1946 VanDerWaalsContact O-N 3.1Å | ||
| 1944 | P | 45.7 | Very low | 43.2 | Very low | 56 Ų | 56 | 73.7 Ų | 73.7 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.2 | 178.8 | 27.8 | -35.6 | 0 | 0 | 0 | 113.1 | F1810 H1942 L1946 L1947 T1948 | F1810-P1944 HydrophobicContact CB-CB 4.29Å; F1810-P1944 HydrophobicContact CD1-CB 4.24Å; F1810-P1944 HydrophobicContact CD2-CB 4.46Å; F1810-P1944 HydrophobicContact CG-CB 4.23Å; H1942-P1944 VanDerWaalsContact O-CD 3.29Å; H1942-P1944 WeakPolarHBondContact O-CD 3.42Å; P1944-L1946 PolarHBondContact O-N 3.06Å; P1944-L1946 VanDerWaalsContact O-N 3.09Å; P1944-L1947 PolarHBondContact O-N 3.17Å; P1944-L1947 VanDerWaalsContact O-N 3.13Å; P1944-T1948 WeakPolarHBondContact O-CB 3.49Å; P1944-T1948 PolarHBondContact O-N 3.11Å; P1944-T1948 PolarHBondContact O-OG1 3.44Å |
| 1945 | S | 51.7 | Low | 44.2 | Very low | 29.6 Ų | 29.6 | 68.9 Ų | 68.9 | 21% | 0.207 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.2 | -30.9 | 175.7 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | D1943 L1947 T1948 L1949 | D1943-S1945 PolarHBondContact O-N 3.15Å; D1943-S1945 VanDerWaalsContact O-N 3.13Å; D1943-S1945 VanDerWaalsContact OD1-CB 3.25Å; D1943-S1945 WeakPolarHBondContact OD1-CB 3.3Å; D1943-S1945 PolarHBondContact OD1-N 3.03Å; D1943-S1945 PolarHBondContact OD1-OG 3.01Å; D1943-S1945 WeakPolarHBondContact OD2-CB 3.42Å; D1943-S1945 PolarHBondContact OD2-OG 3.28Å; S1945-L1947 VanDerWaalsContact C-N 3.27Å; S1945-L1947 PolarHBondContact O-N 3.08Å; S1945-T1948 WeakPolarHBondContact O-CB 3.34Å; S1945-T1948 PolarHBondContact O-N 3.06Å; S1945-L1949 VanDerWaalsContact O-CB 3.27Å; S1945-L1949 WeakPolarHBondContact O-CB 3.37Å; S1945-L1949 WeakPolarHBondContact O-CD1 3.28Å; S1945-L1949 VanDerWaalsContact O-CG 3.28Å; S1945-L1949 WeakPolarHBondContact O-CG 3.37Å; S1945-L1949 PolarHBondContact O-N 3.11Å |
| 1946 | L | 50.2 | Low | 45.1 | Very low | 53.4 Ų | 53.4 | 65.1 Ų | 65.1 | 28% | 0.28 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 179.5 | -87.9 | 175.3 | 0 | 0 | 0 | 113.8 | P1939 D1943 P1944 T1948 L1949 Q1950 | P1939-L1946 HydrophobicContact CB-CD2 4Å; P1939-L1946 HydrophobicContact CB-CG 4.31Å; P1939-L1946 HydrophobicContact CG-CD2 3.57Å; P1939-L1946 HydrophobicContact CG-CG 4.38Å; D1943-L1946 WeakPolarHBondContact O-CB 3.06Å; D1943-L1946 PolarHBondContact O-N 2.95Å; D1943-L1946 VanDerWaalsContact O-N 3.1Å; P1944-L1946 PolarHBondContact O-N 3.06Å; P1944-L1946 VanDerWaalsContact O-N 3.09Å; L1946-T1948 VanDerWaalsContact C-N 3.26Å; L1946-T1948 PolarHBondContact O-N 3Å; L1946-L1949 HydrophobicContact CD2-CD1 4.43Å; L1946-L1949 PolarHBondContact O-N 2.93Å; L1946-Q1950 WeakPolarHBondContact O-CB 3.34Å; L1946-Q1950 PolarHBondContact O-N 2.97Å; L1946-Q1950 VanDerWaalsContact O-N 3.1Å |
| 1947 | L | 50 | Low | 45.8 | Very low | 26.6 Ų | 26.6 | 63 Ų | 63 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73 | -41.7 | 174.7 | -174.7 | 62 | 0 | 0 | 0 | 110.4 | L1750 F1810 L1825 P1944 S1945 L1949 Q1950 M1951 T2500 Y2503 L2504 | L1750-L1947 HydrophobicContact CD1-CD2 4.2Å; L1750-L1947 HydrophobicContact CD2-CD2 4.17Å; L1750-L1947 HydrophobicContact CD2-CG 4.21Å; F1810-L1947 HydrophobicContact CE1-CD2 3.84Å; F1810-L1947 HydrophobicContact CZ-CD2 4.14Å; L1825-L1947 HydrophobicContact CD2-CD2 4.5Å; P1944-L1947 PolarHBondContact O-N 3.17Å; P1944-L1947 VanDerWaalsContact O-N 3.13Å; S1945-L1947 VanDerWaalsContact C-N 3.27Å; S1945-L1947 PolarHBondContact O-N 3.08Å; L1947-L1949 VanDerWaalsContact C-N 3.35Å; L1947-L1949 PolarHBondContact O-N 3.38Å; L1947-Q1950 PolarHBondContact O-N 3.07Å; L1947-M1951 HydrophobicContact CD1-CG 4.29Å; L1947-M1951 HydrophobicContact CD1-SD 4.14Å; L1947-M1951 HydrophobicContact CD2-SD 4.46Å; L1947-M1951 HydrophobicContact CG-SD 4.05Å; L1947-M1951 WeakPolarHBondContact O-CB 3.42Å; L1947-M1951 WeakPolarHBondContact O-CG 3.26Å; L1947-M1951 PolarHBondContact O-N 3.25Å; L1947-M1951 VanDerWaalsContact O-N 3.07Å; L1947-T2500 HydrophobicContact CD1-CG2 3.89Å; L1947-Y2503 HydrophobicContact CD2-CD2 3.82Å; L1947-Y2503 HydrophobicContact CD2-CG 4.17Å; L1947-L2504 HydrophobicContact CD1-CD2 4.23Å; L1947-L2504 HydrophobicContact CD1-CG 4.42Å |
| 1948 | T | 53.5 | Low | 46.5 | Very low | 6.4 Ų | 6.4 | 57.6 Ų | 57.6 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | R1483 S1747 L1823 L1826 P1944 S1945 L1946 Q1950 M1951 Q1952 | R1483-T1948 HydrophobicContact CB-CG2 4.03Å; R1483-T1948 PolarHBondContact NH1-O 3.49Å; S1747-T1948 WeakPolarHBondContact OG-CG2 3.45Å; L1823-T1948 HydrophobicContact CD1-CG2 4.36Å; L1826-T1948 VanDerWaalsContact CD2-CB 3.47Å; L1826-T1948 HydrophobicContact CD2-CG2 3.42Å; L1826-T1948 VanDerWaalsContact CD2-CG2 3.46Å; P1944-T1948 WeakPolarHBondContact O-CB 3.49Å; P1944-T1948 PolarHBondContact O-N 3.11Å; P1944-T1948 PolarHBondContact O-OG1 3.44Å; S1945-T1948 WeakPolarHBondContact O-CB 3.34Å; S1945-T1948 PolarHBondContact O-N 3.06Å; L1946-T1948 VanDerWaalsContact C-N 3.26Å; L1946-T1948 PolarHBondContact O-N 3Å; T1948-Q1950 PolarHBondContact O-N 3.36Å; T1948-M1951 CarbonylContact O-C 3.54Å; T1948-M1951 WeakPolarHBondContact O-CB 3.32Å; T1948-M1951 PolarHBondContact O-N 3.08Å; T1948-M1951 VanDerWaalsContact O-N 3.15Å; T1948-Q1952 WeakPolarHBondContact O-CB 3.29Å; T1948-Q1952 VanDerWaalsContact O-CG 3.29Å; T1948-Q1952 WeakPolarHBondContact O-CG 3.35Å; T1948-Q1952 PolarHBondContact O-N 3.19Å; T1948-Q1952 PolarHBondContact O-OE1 3.15Å; T1948-Q1952 VanDerWaalsContact O-OE1 3.06Å |
| 1949 | L | 53.8 | Low | 47.2 | Very low | 60.4 Ų | 60.4 | 53.7 Ų | 53.7 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 171.4 | -80.3 | 164.9 | 0 | 0 | 0 | 112.6 | L1826 E1830 L1900 S1945 L1946 L1947 M1951 Q1952 S1953 | L1826-L1949 HydrophobicContact CD1-CD1 4.29Å; L1826-L1949 HydrophobicContact CD1-CD2 3.72Å; L1826-L1949 HydrophobicContact CD1-CG 3.69Å; E1830-L1949 HydrophobicContact CG-CD2 4.13Å; E1830-L1949 WeakPolarHBondContact OE1-CD2 3.36Å; L1900-L1949 HydrophobicContact CD1-CD1 3.91Å; L1900-L1949 HydrophobicContact CD1-CD2 4.4Å; S1945-L1949 VanDerWaalsContact O-CB 3.27Å; S1945-L1949 WeakPolarHBondContact O-CB 3.37Å; S1945-L1949 WeakPolarHBondContact O-CD1 3.28Å; S1945-L1949 VanDerWaalsContact O-CG 3.28Å; S1945-L1949 WeakPolarHBondContact O-CG 3.37Å; S1945-L1949 PolarHBondContact O-N 3.11Å; L1946-L1949 HydrophobicContact CD2-CD1 4.43Å; L1946-L1949 PolarHBondContact O-N 2.93Å; L1947-L1949 VanDerWaalsContact C-N 3.35Å; L1947-L1949 PolarHBondContact O-N 3.38Å; L1949-M1951 VanDerWaalsContact C-N 3.32Å; L1949-M1951 PolarHBondContact O-N 2.85Å; L1949-Q1952 WeakPolarHBondContact O-CB 3.22Å; L1949-Q1952 PolarHBondContact O-N 2.98Å; L1949-S1953 VanDerWaalsContact O-CB 3.29Å; L1949-S1953 WeakPolarHBondContact O-CB 3.46Å; L1949-S1953 PolarHBondContact O-N 3.25Å |
| 1950 | Q | 54 | Low | 47.7 | Very low | 46.4 Ų | 46.4 | 52.8 Ų | 52.8 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 178.3 | -176.1 | -176.4 | -15.9 | 0 | 0 | 111.6 | L1946 L1947 T1948 Q1952 S1953 T1954 | L1946-Q1950 WeakPolarHBondContact O-CB 3.34Å; L1946-Q1950 PolarHBondContact O-N 2.97Å; L1946-Q1950 VanDerWaalsContact O-N 3.1Å; L1947-Q1950 PolarHBondContact O-N 3.07Å; T1948-Q1950 PolarHBondContact O-N 3.36Å; Q1950-Q1952 VanDerWaalsContact C-N 3.28Å; Q1950-S1953 WeakPolarHBondContact O-CB 3.31Å; Q1950-S1953 PolarHBondContact O-N 2.9Å; Q1950-T1954 WeakPolarHBondContact O-CB 3.47Å; Q1950-T1954 WeakPolarHBondContact O-CG2 3.33Å; Q1950-T1954 PolarHBondContact O-N 3.15Å; Q1950-T1954 PolarHBondContact O-OG1 3.17Å; Q1950-T1954 VanDerWaalsContact O-OG1 3.12Å |
| 1951 | M | 52.1 | Low | 47.8 | Very low | 24.2 Ų | 24.2 | 52.7 Ų | 52.7 | 12% | 0.119 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.5 | -34.9 | 175.4 | -71.4 | 177.8 | 63.3 | 0 | 0 | 112 | R1483 A1746 L1750 L1795 L1947 T1948 L1949 S1953 T1954 I1955 L2504 T2507 | R1483-M1951 PolarHBondContact NH1-O 3.35Å; R1483-M1951 VanDerWaalsContact NH1-O 3.16Å; R1483-M1951 PolarHBondContact NH2-O 3Å; A1746-M1951 HydrophobicContact CB-CE 4.19Å; L1750-M1951 HydrophobicContact CD1-CE 3.73Å; L1750-M1951 HydrophobicContact CD1-SD 3.4Å; L1750-M1951 WeakPolarHBondContact CD1-SD 3.41Å; L1750-M1951 HydrophobicContact CD2-CE 4.23Å; L1750-M1951 HydrophobicContact CD2-SD 3.89Å; L1750-M1951 HydrophobicContact CG-CE 4.28Å; L1750-M1951 HydrophobicContact CG-SD 4.23Å; L1795-M1951 HydrophobicContact CD1-CE 4Å; L1795-M1951 HydrophobicContact CD2-CB 4.1Å; L1795-M1951 HydrophobicContact CD2-CE 3.76Å; L1795-M1951 HydrophobicContact CD2-CG 3.93Å; L1795-M1951 HydrophobicContact CG-CE 4.3Å; L1947-M1951 HydrophobicContact CD1-CG 4.29Å; L1947-M1951 HydrophobicContact CD1-SD 4.14Å; L1947-M1951 HydrophobicContact CD2-SD 4.46Å; L1947-M1951 HydrophobicContact CG-SD 4.05Å; L1947-M1951 WeakPolarHBondContact O-CB 3.42Å; L1947-M1951 WeakPolarHBondContact O-CG 3.26Å; L1947-M1951 PolarHBondContact O-N 3.25Å; L1947-M1951 VanDerWaalsContact O-N 3.07Å; T1948-M1951 CarbonylContact O-C 3.54Å; T1948-M1951 WeakPolarHBondContact O-CB 3.32Å; T1948-M1951 PolarHBondContact O-N 3.08Å; T1948-M1951 VanDerWaalsContact O-N 3.15Å; L1949-M1951 VanDerWaalsContact C-N 3.32Å; L1949-M1951 PolarHBondContact O-N 2.85Å; M1951-S1953 VanDerWaalsContact C-N 3.31Å; M1951-S1953 PolarHBondContact O-N 3.11Å; M1951-T1954 WeakPolarHBondContact CA-OG1 3.43Å; M1951-T1954 PolarHBondContact O-N 2.89Å; M1951-T1954 PolarHBondContact O-OG1 3.16Å; M1951-I1955 HydrophobicContact CE-CD1 4.11Å; M1951-I1955 WeakPolarHBondContact O-CB 3.44Å; M1951-I1955 WeakPolarHBondContact O-CD1 3.27Å; M1951-I1955 VanDerWaalsContact O-CG1 3.23Å; M1951-I1955 WeakPolarHBondContact O-CG1 3.38Å; M1951-I1955 PolarHBondContact O-N 3.12Å; M1951-I1955 VanDerWaalsContact O-N 3.13Å; M1951-L2504 HydrophobicContact CE-CD2 4.31Å; M1951-L2504 HydrophobicContact CG-CD2 3.56Å; M1951-L2504 VanDerWaalsContact CG-CD2 3.49Å; M1951-L2504 HydrophobicContact SD-CD2 3.62Å; M1951-T2507 HydrophobicContact CE-CG2 3.83Å |
| 1952 | Q | 53.4 | Low | 47.7 | Very low | 27.4 Ų | 27.4 | 47.7 Ų | 47.7 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.6 | -99.4 | 140.7 | -9.4 | 0 | 0 | 110.8 | D1663 E1830 T1948 L1949 Q1950 T1954 I1955 T1956 | D1663-Q1952 PolarHBondContact OD2-NE2 3.46Å; E1830-Q1952 PolarHBondContact OE1-NE2 3.05Å; E1830-Q1952 PolarHBondContact OE1-OE1 2.84Å; E1830-Q1952 PolarHBondContact OE2-NE2 2.95Å; T1948-Q1952 WeakPolarHBondContact O-CB 3.29Å; T1948-Q1952 VanDerWaalsContact O-CG 3.29Å; T1948-Q1952 WeakPolarHBondContact O-CG 3.35Å; T1948-Q1952 PolarHBondContact O-N 3.19Å; T1948-Q1952 PolarHBondContact O-OE1 3.15Å; T1948-Q1952 VanDerWaalsContact O-OE1 3.06Å; L1949-Q1952 WeakPolarHBondContact O-CB 3.22Å; L1949-Q1952 PolarHBondContact O-N 2.98Å; Q1950-Q1952 VanDerWaalsContact C-N 3.28Å; Q1952-T1954 VanDerWaalsContact C-N 3.27Å; Q1952-T1954 PolarHBondContact O-N 2.89Å; Q1952-I1955 CarbonylContact O-C 3.56Å; Q1952-I1955 WeakPolarHBondContact O-CA 3.4Å; Q1952-I1955 PolarHBondContact O-N 3.11Å; Q1952-I1955 VanDerWaalsContact O-N 3.13Å; Q1952-T1956 WeakPolarHBondContact O-CG2 3.37Å; Q1952-T1956 PolarHBondContact O-N 3.06Å; Q1952-T1956 PolarHBondContact O-OG1 2.98Å; Q1952-T1956 VanDerWaalsContact O-OG1 3.11Å |
| 1953 | S | 50.2 | Low | 47.4 | Very low | 49.2 Ų | 49.2 | 43.3 Ų | 43.3 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | L1949 Q1950 M1951 I1955 T1956 D1957 | L1949-S1953 VanDerWaalsContact O-CB 3.29Å; L1949-S1953 WeakPolarHBondContact O-CB 3.46Å; L1949-S1953 PolarHBondContact O-N 3.25Å; Q1950-S1953 WeakPolarHBondContact O-CB 3.31Å; Q1950-S1953 PolarHBondContact O-N 2.9Å; M1951-S1953 VanDerWaalsContact C-N 3.31Å; M1951-S1953 PolarHBondContact O-N 3.11Å; S1953-I1955 PolarHBondContact O-N 3.12Å; S1953-I1955 VanDerWaalsContact O-N 3.12Å; S1953-T1956 WeakPolarHBondContact CA-OG1 3.42Å; S1953-T1956 PolarHBondContact O-N 3.2Å; S1953-T1956 VanDerWaalsContact O-N 3.17Å; S1953-T1956 PolarHBondContact O-OG1 3.01Å; S1953-D1957 PolarHBondContact O-N 3.04Å; S1953-D1957 VanDerWaalsContact O-N 3.1Å; S1953-D1957 VanDerWaalsContact O-OD2 3.07Å |
| 1954 | T | 49.5 | Very low | 47.1 | Very low | 34 Ų | 34 | 46.8 Ų | 46.8 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.4 | -14.7 | -179.9 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | S1794 P1798 Q1950 M1951 Q1952 I1958 | S1794-T1954 WeakPolarHBondContact CB-O 3.25Å; S1794-T1954 PolarHBondContact OG-O 3.22Å; P1798-T1954 HydrophobicContact CG-CG2 4.1Å; Q1950-T1954 WeakPolarHBondContact O-CB 3.47Å; Q1950-T1954 WeakPolarHBondContact O-CG2 3.33Å; Q1950-T1954 PolarHBondContact O-N 3.15Å; Q1950-T1954 PolarHBondContact O-OG1 3.17Å; Q1950-T1954 VanDerWaalsContact O-OG1 3.12Å; M1951-T1954 WeakPolarHBondContact CA-OG1 3.43Å; M1951-T1954 PolarHBondContact O-N 2.89Å; M1951-T1954 PolarHBondContact O-OG1 3.16Å; Q1952-T1954 VanDerWaalsContact C-N 3.27Å; Q1952-T1954 PolarHBondContact O-N 2.89Å; T1954-I1958 WeakPolarHBondContact O-CD1 3.37Å |
| 1955 | I | 50.2 | Low | 46.6 | Very low | 10.8 Ų | 10.8 | 51.1 Ų | 51.1 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -95.3 | -32.3 | 173.9 | -68.7 | 166.9 | 0 | 0 | 0 | 111.9 | R1483 R1743 L1791 L1795 M1951 Q1952 S1953 D1957 I1958 E1959 | R1483-I1955 VanDerWaalsContact NH2-CD1 3.29Å; R1743-I1955 HydrophobicContact CG-CB 4Å; R1743-I1955 HydrophobicContact CG-CD1 4.03Å; R1743-I1955 HydrophobicContact CG-CG2 3.36Å; R1743-I1955 VanDerWaalsContact CG-CG2 3.43Å; L1791-I1955 HydrophobicContact CD2-CB 4.4Å; L1791-I1955 HydrophobicContact CD2-CG1 4.29Å; L1791-I1955 HydrophobicContact CD2-CG2 3.33Å; L1795-I1955 HydrophobicContact CD1-CD1 4.25Å; L1795-I1955 HydrophobicContact CD2-CD1 4.06Å; L1795-I1955 HydrophobicContact CD2-CG1 4.19Å; L1795-I1955 HydrophobicContact CG-CD1 4.27Å; L1795-I1955 HydrophobicContact CG-CG1 4.28Å; M1951-I1955 HydrophobicContact CE-CD1 4.11Å; M1951-I1955 WeakPolarHBondContact O-CB 3.44Å; M1951-I1955 WeakPolarHBondContact O-CD1 3.27Å; M1951-I1955 VanDerWaalsContact O-CG1 3.23Å; M1951-I1955 WeakPolarHBondContact O-CG1 3.38Å; M1951-I1955 PolarHBondContact O-N 3.12Å; M1951-I1955 VanDerWaalsContact O-N 3.13Å; Q1952-I1955 CarbonylContact O-C 3.56Å; Q1952-I1955 WeakPolarHBondContact O-CA 3.4Å; Q1952-I1955 PolarHBondContact O-N 3.11Å; Q1952-I1955 VanDerWaalsContact O-N 3.13Å; S1953-I1955 PolarHBondContact O-N 3.12Å; S1953-I1955 VanDerWaalsContact O-N 3.12Å; I1955-D1957 VanDerWaalsContact C-N 3.28Å; I1955-D1957 PolarHBondContact O-N 3.05Å; I1955-I1958 HydrophobicContact CB-CD1 4.4Å; I1955-I1958 HydrophobicContact CG1-CD1 4.39Å; I1955-I1958 HydrophobicContact CG2-CD1 4.24Å; I1955-I1958 VanDerWaalsContact O-CB 3.29Å; I1955-I1958 WeakPolarHBondContact O-CB 3.4Å; I1955-I1958 VanDerWaalsContact O-CG1 3.32Å; I1955-I1958 WeakPolarHBondContact O-CG1 3.32Å; I1955-I1958 PolarHBondContact O-N 2.91Å; I1955-I1958 VanDerWaalsContact O-N 3.15Å; I1955-E1959 VanDerWaalsContact CG2-CD 3.48Å; I1955-E1959 HydrophobicContact CG2-CG 3.82Å; I1955-E1959 PolarHBondContact O-N 2.99Å |
| 1956 | T | 49 | Very low | 45.9 | Very low | 44 Ų | 44 | 52.1 Ų | 52.1 | 27% | 0.27 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | 172.1 | 47.5 | 0 | 0 | 0 | 0 | 112 | T1659 Q1952 S1953 I1958 E1959 T1960 | T1659-T1956 HydrophobicContact CG2-CG2 4.08Å; T1659-T1956 WeakPolarHBondContact OG1-CG2 3.27Å; Q1952-T1956 WeakPolarHBondContact O-CG2 3.37Å; Q1952-T1956 PolarHBondContact O-N 3.06Å; Q1952-T1956 PolarHBondContact O-OG1 2.98Å; Q1952-T1956 VanDerWaalsContact O-OG1 3.11Å; S1953-T1956 WeakPolarHBondContact CA-OG1 3.42Å; S1953-T1956 PolarHBondContact O-N 3.2Å; S1953-T1956 VanDerWaalsContact O-N 3.17Å; S1953-T1956 PolarHBondContact O-OG1 3.01Å; T1956-I1958 VanDerWaalsContact C-N 3.3Å; T1956-I1958 PolarHBondContact O-N 3.26Å; T1956-I1958 VanDerWaalsContact O-N 3.12Å; T1956-E1959 PolarHBondContact O-N 3.26Å; T1956-E1959 VanDerWaalsContact O-N 3.09Å; T1956-T1960 WeakPolarHBondContact O-CG2 3.44Å; T1956-T1960 PolarHBondContact O-N 3.31Å; T1956-T1960 PolarHBondContact O-OG1 3.42Å |
| 1957 | D | 45.3 | Very low | 45.1 | Very low | 77.6 Ų | 77.6 | 54.9 Ų | 54.9 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -20.2 | 176.1 | -62.6 | -18.6 | 0 | 0 | 0 | 112.7 | R1836 S1953 I1955 E1959 T1960 S1961 | R1836-D1957 IonicContact CZ-OD2 2.69Å; R1836-D1957 IonicContact NH1-OD2 3.02Å; R1836-D1957 PolarHBondContact NH1-OD2 3.33Å; R1836-D1957 IonicContact NH2-OD2 2.62Å; R1836-D1957 PolarHBondContact NH2-OD2 3.15Å; S1953-D1957 PolarHBondContact O-N 3.04Å; S1953-D1957 VanDerWaalsContact O-N 3.1Å; S1953-D1957 VanDerWaalsContact O-OD2 3.07Å; I1955-D1957 VanDerWaalsContact C-N 3.28Å; I1955-D1957 PolarHBondContact O-N 3.05Å; D1957-E1959 VanDerWaalsContact C-N 3.29Å; D1957-E1959 PolarHBondContact O-N 2.8Å; D1957-T1960 PolarHBondContact O-N 2.76Å; D1957-T1960 VanDerWaalsContact O-N 3.14Å; D1957-T1960 PolarHBondContact O-OG1 2.91Å; D1957-S1961 PolarHBondContact O-N 2.91Å; D1957-S1961 PolarHBondContact O-OG 3.04Å |
| 1958 | I | 47.5 | Very low | 44.4 | Very low | 17.6 Ų | 17.6 | 58.4 Ų | 58.4 | 9% | 0.09 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78.7 | -34.6 | 176.8 | -53.7 | 171.6 | 0 | 0 | 0 | 111.3 | V1790 L1791 S1794 N1832 T1835 T1954 I1955 T1956 T1960 S1961 A1962 | V1790-I1958 HydrophobicContact CG1-CG2 3.67Å; L1791-I1958 HydrophobicContact CD2-CD1 3.7Å; L1791-I1958 HydrophobicContact CG-CD1 4.23Å; S1794-I1958 VanDerWaalsContact OG-CD1 3.3Å; S1794-I1958 WeakPolarHBondContact OG-CD1 3.4Å; N1832-I1958 HydrophobicContact CB-CD1 4.27Å; T1835-I1958 HydrophobicContact CG2-CG2 4.12Å; T1954-I1958 WeakPolarHBondContact O-CD1 3.37Å; I1955-I1958 HydrophobicContact CB-CD1 4.4Å; I1955-I1958 HydrophobicContact CG1-CD1 4.39Å; I1955-I1958 HydrophobicContact CG2-CD1 4.24Å; I1955-I1958 VanDerWaalsContact O-CB 3.29Å; I1955-I1958 WeakPolarHBondContact O-CB 3.4Å; I1955-I1958 VanDerWaalsContact O-CG1 3.32Å; I1955-I1958 WeakPolarHBondContact O-CG1 3.32Å; I1955-I1958 PolarHBondContact O-N 2.91Å; I1955-I1958 VanDerWaalsContact O-N 3.15Å; T1956-I1958 VanDerWaalsContact C-N 3.3Å; T1956-I1958 PolarHBondContact O-N 3.26Å; T1956-I1958 VanDerWaalsContact O-N 3.12Å; I1958-T1960 VanDerWaalsContact C-N 3.29Å; I1958-T1960 PolarHBondContact O-N 3.13Å; I1958-T1960 VanDerWaalsContact O-N 3.09Å; I1958-S1961 PolarHBondContact O-N 3.22Å; I1958-S1961 VanDerWaalsContact O-N 3.11Å; I1958-S1961 PolarHBondContact O-OG 2.96Å; I1958-A1962 HydrophobicContact CG2-CB 4.29Å; I1958-A1962 WeakPolarHBondContact O-CB 3.37Å; I1958-A1962 PolarHBondContact O-N 3.14Å |
| 1959 | E | 46.4 | Very low | 43.6 | Very low | 32.4 Ų | 32.4 | 62.2 Ų | 62.2 | 15% | 0.151 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.1 | -11.3 | -179.2 | -67.6 | -169.8 | -154 | 0 | 0 | 112.4 | R1480 T1659 R1736 R1743 I1955 T1956 D1957 S1961 A1963 | R1480-E1959 WeakPolarHBondContact CD-OE2 3.33Å; R1480-E1959 IonicContact CZ-OE2 3.56Å; R1480-E1959 PolarHBondContact NH1-O 3.45Å; R1480-E1959 VanDerWaalsContact NH1-O 3.08Å; R1480-E1959 IonicContact NH1-OE2 2.88Å; R1480-E1959 PolarHBondContact NH1-OE2 3.06Å; R1480-E1959 PolarHBondContact NH2-O 3.16Å; R1480-E1959 VanDerWaalsContact NH2-O 3.14Å; T1659-E1959 VanDerWaalsContact CG2-CD 3.45Å; T1659-E1959 VanDerWaalsContact CG2-OE1 3.3Å; T1659-E1959 WeakPolarHBondContact CG2-OE1 3.39Å; R1736-E1959 IonicContact CZ-OE2 3.22Å; R1736-E1959 IonicContact NE-OE2 3.2Å; R1736-E1959 PolarHBondContact NE-OE2 3.13Å; R1736-E1959 IonicContact NH2-OE2 3.17Å; R1736-E1959 PolarHBondContact NH2-OE2 2.97Å; R1743-E1959 IonicContact CZ-OE1 3.1Å; R1743-E1959 IonicContact NH1-OE1 3.52Å; R1743-E1959 PolarHBondContact NH1-OE1 3.06Å; R1743-E1959 IonicContact NH2-OE1 3.36Å; R1743-E1959 PolarHBondContact NH2-OE1 3.33Å; I1955-E1959 VanDerWaalsContact CG2-CD 3.48Å; I1955-E1959 HydrophobicContact CG2-CG 3.82Å; I1955-E1959 PolarHBondContact O-N 2.99Å; T1956-E1959 PolarHBondContact O-N 3.26Å; T1956-E1959 VanDerWaalsContact O-N 3.09Å; D1957-E1959 VanDerWaalsContact C-N 3.29Å; D1957-E1959 PolarHBondContact O-N 2.8Å; E1959-S1961 VanDerWaalsContact C-N 3.32Å; E1959-S1961 PolarHBondContact O-N 3.08Å; E1959-A1963 WeakPolarHBondContact O-CB 3.35Å |
| 1960 | T | 41.7 | Very low | 42.7 | Very low | 65.2 Ų | 65.2 | 64.8 Ų | 64.8 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -85.5 | -32.2 | 174.5 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | S1655 T1956 D1957 I1958 A1962 A1963 | S1655-T1960 WeakPolarHBondContact O-CG2 3.29Å; T1956-T1960 WeakPolarHBondContact O-CG2 3.44Å; T1956-T1960 PolarHBondContact O-N 3.31Å; T1956-T1960 PolarHBondContact O-OG1 3.42Å; D1957-T1960 PolarHBondContact O-N 2.76Å; D1957-T1960 VanDerWaalsContact O-N 3.14Å; D1957-T1960 PolarHBondContact O-OG1 2.91Å; I1958-T1960 VanDerWaalsContact C-N 3.29Å; I1958-T1960 PolarHBondContact O-N 3.13Å; I1958-T1960 VanDerWaalsContact O-N 3.09Å; T1960-A1962 PolarHBondContact O-N 3.12Å; T1960-A1963 PolarHBondContact O-N 2.88Å |
| 1961 | S | 35.4 | Very low | 41.6 | Very low | 71.6 Ų | 71.6 | 66.8 Ų | 66.8 | 50% | 0.501 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -90.3 | -13.2 | -173.8 | 65.1 | 0 | 0 | 0 | 0 | 115 | D1957 I1958 E1959 A1963 | D1957-S1961 PolarHBondContact O-N 2.91Å; D1957-S1961 PolarHBondContact O-OG 3.04Å; I1958-S1961 PolarHBondContact O-N 3.22Å; I1958-S1961 VanDerWaalsContact O-N 3.11Å; I1958-S1961 PolarHBondContact O-OG 2.96Å; E1959-S1961 VanDerWaalsContact C-N 3.32Å; E1959-S1961 PolarHBondContact O-N 3.08Å; S1961-A1963 PolarHBondContact O-N 3.16Å |
| 1962 | A | 39.4 | Very low | 40.6 | Very low | 37.2 Ų | 37.2 | 69.9 Ų | 69.9 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -88 | -14.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | I1958 T1960 E1964 H1965 A1966 | I1958-A1962 HydrophobicContact CG2-CB 4.29Å; I1958-A1962 WeakPolarHBondContact O-CB 3.37Å; I1958-A1962 PolarHBondContact O-N 3.14Å; T1960-A1962 PolarHBondContact O-N 3.12Å; A1962-E1964 PolarHBondContact O-N 3.4Å; A1962-H1965 PolarHBondContact O-N 2.89Å; A1962-A1966 WeakPolarHBondContact O-CB 3.37Å; A1962-A1966 PolarHBondContact O-N 2.89Å |
| 1963 | A | 34.5 | Very low | 39.7 | Very low | 67.2 Ų | 67.2 | 73.4 Ų | 73.4 | 56% | 0.555 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74 | -29.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1959 T1960 S1961 H1965 A1966 L1967 | E1959-A1963 WeakPolarHBondContact O-CB 3.35Å; T1960-A1963 PolarHBondContact O-N 2.88Å; S1961-A1963 PolarHBondContact O-N 3.16Å; A1963-H1965 VanDerWaalsContact C-N 3.32Å; A1963-H1965 PolarHBondContact O-N 3.05Å; A1963-A1966 PolarHBondContact O-N 3.47Å; A1963-L1967 PolarHBondContact O-N 3.46Å |
| 1964 | E | 35.2 | Very low | 38.9 | Very low | 144.6 Ų | 144.6 | 74.5 Ų | 74.5 | 68% | 0.676 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -80.7 | -31.6 | 179 | -59 | -168 | 147 | 0 | 0 | 112.1 | A1962 T1968 | A1962-E1964 PolarHBondContact O-N 3.4Å; E1964-T1968 WeakPolarHBondContact O-CB 3.33Å; E1964-T1968 PolarHBondContact O-N 3.03Å; E1964-T1968 VanDerWaalsContact O-N 3.12Å; E1964-T1968 PolarHBondContact O-OG1 3.33Å |
| 1965 | H | 36.3 | Very low | 38 | Very low | 146.8 Ų | 146.8 | 80.6 Ų | 80.6 | 68% | 0.68 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -84.8 | -29.9 | -175.6 | -85.4 | -74.3 | 0 | 0 | 0 | 113.5 | A1962 A1963 L1967 T1968 V1969 | A1962-H1965 PolarHBondContact O-N 2.89Å; A1963-H1965 VanDerWaalsContact C-N 3.32Å; A1963-H1965 PolarHBondContact O-N 3.05Å; H1965-L1967 PolarHBondContact O-N 3.4Å; H1965-T1968 WeakPolarHBondContact O-CB 3.41Å; H1965-T1968 PolarHBondContact O-N 3.34Å; H1965-T1968 VanDerWaalsContact O-N 3.12Å; H1965-V1969 WeakPolarHBondContact O-CB 3.44Å; H1965-V1969 VanDerWaalsContact O-CG2 3.31Å; H1965-V1969 WeakPolarHBondContact O-CG2 3.28Å; H1965-V1969 PolarHBondContact O-N 3Å; H1965-V1969 VanDerWaalsContact O-N 3.14Å |
| 1966 | A | 35.4 | Very low | 37.2 | Very low | 52 Ų | 52 | 84.6 Ų | 84.6 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -83.3 | -24.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1732 A1962 A1963 T1968 V1969 M1970 | L1732-A1966 HydrophobicContact CD2-CB 3.98Å; A1962-A1966 WeakPolarHBondContact O-CB 3.37Å; A1962-A1966 PolarHBondContact O-N 2.89Å; A1963-A1966 PolarHBondContact O-N 3.47Å; A1966-T1968 PolarHBondContact O-N 2.89Å; A1966-V1969 PolarHBondContact O-N 3.2Å; A1966-M1970 WeakPolarHBondContact O-CB 3.24Å; A1966-M1970 WeakPolarHBondContact O-CG 3.39Å; A1966-M1970 PolarHBondContact O-N 3.27Å; A1966-M1970 VanDerWaalsContact O-N 3.17Å |
| 1967 | L | 34.9 | Very low | 36.3 | Very low | 111.6 Ų | 111.6 | 87.9 Ų | 87.9 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.5 | -26.6 | -177.1 | -82.5 | 161.9 | 0 | 0 | 0 | 113.1 | A1963 H1965 V1969 M1970 S1971 | A1963-L1967 PolarHBondContact O-N 3.46Å; H1965-L1967 PolarHBondContact O-N 3.4Å; L1967-V1969 VanDerWaalsContact C-N 3.33Å; L1967-V1969 PolarHBondContact O-N 2.88Å; L1967-V1969 VanDerWaalsContact O-N 3.13Å; L1967-M1970 HydrophobicContact CD2-CG 4.47Å; L1967-M1970 HydrophobicContact CD2-SD 3.79Å; L1967-M1970 PolarHBondContact O-N 2.83Å; L1967-S1971 WeakPolarHBondContact O-CB 3.36Å; L1967-S1971 PolarHBondContact O-N 2.72Å; L1967-S1971 PolarHBondContact O-OG 2.89Å; L1967-S1971 VanDerWaalsContact O-OG 3.06Å |
| 1968 | T | 34.1 | Very low | 35.7 | Very low | 98.8 Ų | 98.8 | 87.4 Ų | 87.4 | 61% | 0.606 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.4 | -20.8 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 112 | E1964 H1965 A1966 M1970 S1971 S1972 | E1964-T1968 WeakPolarHBondContact O-CB 3.33Å; E1964-T1968 PolarHBondContact O-N 3.03Å; E1964-T1968 VanDerWaalsContact O-N 3.12Å; E1964-T1968 PolarHBondContact O-OG1 3.33Å; H1965-T1968 WeakPolarHBondContact O-CB 3.41Å; H1965-T1968 PolarHBondContact O-N 3.34Å; H1965-T1968 VanDerWaalsContact O-N 3.12Å; A1966-T1968 PolarHBondContact O-N 2.89Å; T1968-M1970 VanDerWaalsContact C-N 3.3Å; T1968-M1970 PolarHBondContact O-N 3.12Å; T1968-S1971 WeakPolarHBondContact CA-OG 3.25Å; T1968-S1971 PolarHBondContact O-OG 2.84Å; T1968-S1972 WeakPolarHBondContact O-CB 3.49Å; T1968-S1972 PolarHBondContact O-OG 3.14Å |
| 1969 | V | 37.8 | Very low | 34.9 | Very low | 86.8 Ų | 86.8 | 93.1 Ų | 93.1 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -86.9 | -24.8 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | H1965 A1966 L1967 S1972 T1973 | H1965-V1969 WeakPolarHBondContact O-CB 3.44Å; H1965-V1969 VanDerWaalsContact O-CG2 3.31Å; H1965-V1969 WeakPolarHBondContact O-CG2 3.28Å; H1965-V1969 PolarHBondContact O-N 3Å; H1965-V1969 VanDerWaalsContact O-N 3.14Å; A1966-V1969 PolarHBondContact O-N 3.2Å; L1967-V1969 VanDerWaalsContact C-N 3.33Å; L1967-V1969 PolarHBondContact O-N 2.88Å; L1967-V1969 VanDerWaalsContact O-N 3.13Å; V1969-S1972 PolarHBondContact O-N 2.93Å; V1969-S1972 PolarHBondContact O-OG 3.1Å; V1969-T1973 WeakPolarHBondContact O-CG2 3.35Å; V1969-T1973 PolarHBondContact O-OG1 3.47Å |
| 1970 | M | 33.8 | Very low | 34.1 | Very low | 115.8 Ų | 115.8 | 96.8 Ų | 96.8 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -86.6 | -27.7 | 177.9 | -68.1 | -174.7 | 66.1 | 0 | 0 | 112.5 | V1728 T1731 A1966 L1967 T1968 S1972 T1973 | V1728-M1970 HydrophobicContact CG1-CE 4.09Å; V1728-M1970 HydrophobicContact CG1-SD 4.24Å; V1728-M1970 HydrophobicContact CG2-CE 4.23Å; V1728-M1970 HydrophobicContact CG2-SD 3.97Å; T1731-M1970 HydrophobicContact CG2-CE 3.98Å; T1731-M1970 HydrophobicContact CG2-SD 3.95Å; A1966-M1970 WeakPolarHBondContact O-CB 3.24Å; A1966-M1970 WeakPolarHBondContact O-CG 3.39Å; A1966-M1970 PolarHBondContact O-N 3.27Å; A1966-M1970 VanDerWaalsContact O-N 3.17Å; L1967-M1970 HydrophobicContact CD2-CG 4.47Å; L1967-M1970 HydrophobicContact CD2-SD 3.79Å; L1967-M1970 PolarHBondContact O-N 2.83Å; T1968-M1970 VanDerWaalsContact C-N 3.3Å; T1968-M1970 PolarHBondContact O-N 3.12Å; M1970-S1972 VanDerWaalsContact C-N 3.26Å; M1970-S1972 PolarHBondContact O-N 3.27Å; M1970-T1973 PolarHBondContact O-N 2.91Å; M1970-T1973 PolarHBondContact O-OG1 3.16Å |
| 1971 | S | 31.1 | Very low | 33.6 | Very low | 87.2 Ų | 87.2 | 99.8 Ų | 99.8 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.6 | -38 | 172.6 | 6.4 | 0 | 0 | 0 | 0 | 112.6 | L1967 T1968 T1973 A1974 | L1967-S1971 WeakPolarHBondContact O-CB 3.36Å; L1967-S1971 PolarHBondContact O-N 2.72Å; L1967-S1971 PolarHBondContact O-OG 2.89Å; L1967-S1971 VanDerWaalsContact O-OG 3.06Å; T1968-S1971 WeakPolarHBondContact CA-OG 3.25Å; T1968-S1971 PolarHBondContact O-OG 2.84Å; S1971-T1973 PolarHBondContact O-N 3.31Å; S1971-T1973 VanDerWaalsContact O-N 3.12Å; S1971-A1974 PolarHBondContact O-N 2.87Å; S1971-A1974 VanDerWaalsContact O-N 3.12Å |
| 1972 | S | 31.9 | Very low | 33.3 | Very low | 89.8 Ų | 89.8 | 106.7 Ų | 106.7 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -94 | 32.3 | 179.8 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | T1968 V1969 M1970 | T1968-S1972 WeakPolarHBondContact O-CB 3.49Å; T1968-S1972 PolarHBondContact O-OG 3.14Å; V1969-S1972 PolarHBondContact O-N 2.93Å; V1969-S1972 PolarHBondContact O-OG 3.1Å; M1970-S1972 VanDerWaalsContact C-N 3.26Å; M1970-S1972 PolarHBondContact O-N 3.27Å |
| 1973 | T | 33.7 | Very low | 32.9 | Very low | 100.2 Ų | 100.2 | 112.1 Ų | 112.1 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | trans | -128.9 | 18.7 | 171.2 | 46 | 0 | 0 | 0 | 0 | 112.8 | V1969 M1970 S1971 R2610 | V1969-T1973 WeakPolarHBondContact O-CG2 3.35Å; V1969-T1973 PolarHBondContact O-OG1 3.47Å; M1970-T1973 PolarHBondContact O-N 2.91Å; M1970-T1973 PolarHBondContact O-OG1 3.16Å; S1971-T1973 PolarHBondContact O-N 3.31Å; S1971-T1973 VanDerWaalsContact O-N 3.12Å; T1973-R2610 PolarHBondContact O-NH1 3.37Å; T1973-R2610 VanDerWaalsContact O-NH1 3.11Å; T1973-R2610 PolarHBondContact O-NH2 3.21Å; T1973-R2610 PolarHBondContact OG1-NH2 2.91Å | ||
| 1974 | A | 33 | Very low | 32.8 | Very low | 73.4 Ų | 73.4 | 116.5 Ų | 116.5 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | trans | -102 | -25.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1971 A1976 | S1971-A1974 PolarHBondContact O-N 2.87Å; S1971-A1974 VanDerWaalsContact O-N 3.12Å; A1974-A1976 VanDerWaalsContact C-N 3.25Å; A1974-A1976 PolarHBondContact O-N 3.03Å | ||
| 1975 | D | 31.5 | Very low | 32.9 | Very low | 162.6 Ų | 162.6 | 114.4 Ų | 114.4 | 87% | 0.87 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -83.3 | 64.9 | -173.4 | -68.4 | -36.5 | 0 | 0 | 0 | 114.8 | S1977 | D1975-S1977 PolarHBondContact O-N 3.1Š|
| 1976 | A | 33.4 | Very low | 32.7 | Very low | 95.2 Ų | 95.2 | 114.4 Ų | 114.4 | 79% | 0.787 | 69% | 0.69 | S | S | * | * | trans | -121.1 | 65.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1974 | A1974-A1976 VanDerWaalsContact C-N 3.25Å; A1974-A1976 PolarHBondContact O-N 3.03Å | ||
| 1977 | S | 30.9 | Very low | 32.5 | Very low | 111.6 Ų | 111.6 | 118.8 Ų | 118.8 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | trans | -132.8 | 106.1 | -176.4 | 73.7 | 0 | 0 | 0 | 0 | 114.6 | D1975 R2607 | D1975-S1977 PolarHBondContact O-N 3.1Å; S1977-R2607 VanDerWaalsContact CB-NH2 3.32Å; S1977-R2607 VanDerWaalsContact OG-CZ 3.3Å; S1977-R2607 PolarHBondContact OG-NH1 3.15Å; S1977-R2607 PolarHBondContact OG-NH2 3.02Å | ||
| 1978 | G | 31.7 | Very low | 32.4 | Very low | 67.8 Ų | 67.8 | 118.5 Ų | 118.5 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -160.2 | 101.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1979 | V | 31.9 | Very low | 32.3 | Very low | 137.2 Ų | 137.2 | 119.7 Ų | 119.7 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | 56.2 | 111.6 | 137 | -174.8 | 0 | 0 | 0 | 0 | 117.5 | T1981 | V1979-T1981 WeakPolarHBondContact CG1-OG1 3.35Š| ||
| 1980 | S | 28.5 | Very low | 32 | Very low | 110.8 Ų | 110.8 | 119.1 Ų | 119.1 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -108.5 | 136 | 150.4 | -136.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1981 | T | 32 | Very low | 31.9 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -140.8 | 129.2 | 148.5 | -0.5 | 0 | 0 | 0 | 0 | 112.2 | V1979 | V1979-T1981 WeakPolarHBondContact CG1-OG1 3.35Š| ||
| 1982 | R | 28.3 | Very low | 31.9 | Very low | 215.2 Ų | 215.2 | 126.6 Ų | 126.6 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -107.4 | 138.9 | 141.9 | -160.9 | -178.7 | 176.1 | -163.7 | -0.5 | 113.2 | E1984 | R1982-E1984 IonicContact CZ-OE1 3.2Å; R1982-E1984 IonicContact NE-OE1 2.91Å; R1982-E1984 PolarHBondContact NE-OE1 2.87Å; R1982-E1984 IonicContact NH2-OE1 2.66Å; R1982-E1984 PolarHBondContact NH2-OE1 3.23Å | ||
| 1983 | L | 32 | Very low | 32 | Very low | 152.2 Ų | 152.2 | 127.6 Ų | 127.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 159.1 | 136.9 | 145.9 | -78.9 | 168.1 | 0 | 0 | 0 | 113.3 | ||||
| 1984 | E | 31.5 | Very low | 32.2 | Very low | 158.8 Ų | 158.8 | 128.6 Ų | 128.6 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -58.5 | 154.4 | 144 | -67.7 | -77.3 | 112.8 | 0 | 0 | 113.1 | R1982 | R1982-E1984 IonicContact CZ-OE1 3.2Å; R1982-E1984 IonicContact NE-OE1 2.91Å; R1982-E1984 PolarHBondContact NE-OE1 2.87Å; R1982-E1984 IonicContact NH2-OE1 2.66Å; R1982-E1984 PolarHBondContact NH2-OE1 3.23Å | ||
| 1985 | P | 36.5 | Very low | 32.1 | Very low | 101.2 Ų | 101.2 | 129.8 Ų | 129.8 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | -118.1 | 175.8 | -80.8 | 37.8 | -27.1 | 0 | 0 | 0 | 114.1 | |||||
| 1986 | N | 32.6 | Very low | 32.1 | Very low | 147.2 Ų | 147.2 | 128.4 Ų | 128.4 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | 154 | 145.8 | 145.5 | -100.3 | -5.5 | 0 | 0 | 0 | 117.6 | ||||
| 1987 | D | 30.5 | Very low | 32.1 | Very low | 144.2 Ų | 144.2 | 128.9 Ų | 128.9 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | -32 | 148.5 | 169.3 | -60.3 | -65 | 0 | 0 | 0 | 118.3 | ||||
| 1988 | S | 33.6 | Very low | 32 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -178.3 | 139 | 70.7 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1989 | S | 31.8 | Very low | 32 | Very low | 124.2 Ų | 124.2 | 133.6 Ų | 133.6 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 35.2 | 142 | 156.9 | 65.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1990 | G | 32.3 | Very low | 31.9 | Very low | 73.2 Ų | 73.2 | 131.8 Ų | 131.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 162.5 | 96.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1991 | H | 31.6 | Very low | 32 | Very low | 172.6 Ų | 172.6 | 133.3 Ų | 133.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -110.3 | 137.6 | 167.7 | -96.8 | -14.6 | 0 | 0 | 0 | 111.7 | ||||
| 1992 | F | 29.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 107.2 | 152.5 | 95.7 | -88.6 | -87.9 | 0 | 0 | 0 | 115.7 | |||||
| 1993 | P | 34.9 | Very low | 31.7 | Very low | 111.2 Ų | 111.2 | 127.8 Ų | 127.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | -125.4 | -160.6 | -67.6 | 38.1 | -20.2 | 0 | 0 | 0 | 113.1 | |||||
| 1994 | P | 37 | Very low | 31.4 | Very low | 121.6 Ų | 121.6 | 125.6 Ų | 125.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -114 | 176.7 | -131.9 | 38.2 | -24.9 | 0 | 0 | 0 | 115.8 | ||||
| 1995 | A | 32.3 | Very low | 31.2 | Very low | 98.6 Ų | 98.6 | 125.2 Ų | 125.2 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -165.2 | 140.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1996 | V | 31.5 | Very low | 30.7 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -142.3 | 139.8 | -167.6 | -156 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1997 | S | 32 | Very low | 30.4 | Very low | 107.2 Ų | 107.2 | 128.3 Ų | 128.3 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | 165.3 | 134.2 | 148.1 | 47.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1998 | N | 30.1 | Very low | 30.2 | Very low | 146.8 Ų | 146.8 | 127.2 Ų | 127.2 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 150.3 | 174.4 | -64 | -11.8 | 0 | 0 | 0 | 114.4 | ||||
| 1999 | V | 31.6 | Very low | 29.9 | Very low | 129.8 Ų | 129.8 | 130.8 Ų | 130.8 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | 107.5 | 121.2 | 97.3 | 177.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 2000 | S | 29.8 | Very low | 29.6 | Very low | 100.4 Ų | 100.4 | 130.4 Ų | 130.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -101.2 | 141.2 | 143.2 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2001 | D | 30.2 | Very low | 29.6 | Very low | 142.8 Ų | 142.8 | 132.3 Ų | 132.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | -148.6 | 158.1 | 86 | -88.3 | -47.3 | 0 | 0 | 0 | 113.5 | |||||
| 2002 | S | 27.8 | Very low | 29.2 | Very low | 102.6 Ų | 102.6 | 131 Ų | 131 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | -140.5 | 147.7 | 121.2 | -52.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 2003 | C | 26.2 | Very low | 29.2 | Very low | 123.6 Ų | 123.6 | 131.4 Ų | 131.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 124.9 | 140.1 | 157.3 | -83.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 2004 | S | 25.6 | Very low | 28.8 | Very low | 107.4 Ų | 107.4 | 131.2 Ų | 131.2 | 75% | 0.751 | 77% | 0.769 | S | S | * | * | trans | -71.5 | 144.3 | 161.5 | -56.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2005 | L | 27.1 | Very low | 28.3 | Very low | 149.6 Ų | 149.6 | 130.3 Ų | 130.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -151.6 | 140.7 | 134.6 | -77.1 | 166.8 | 0 | 0 | 0 | 112.2 | F2007 Y2241 | L2005-F2007 HydrophobicContact CB-CD2 4.17Å; L2005-F2007 HydrophobicContact CD1-CD2 3.98Å; L2005-F2007 HydrophobicContact CD1-CE2 4.08Å; L2005-F2007 HydrophobicContact CD2-CD2 4Å; L2005-F2007 HydrophobicContact CD2-CE2 4.02Å; L2005-F2007 HydrophobicContact CG-CD2 4.27Å; L2005-Y2241 HydrophobicContact CD1-CE2 4.37Å; L2005-Y2241 WeakPolarHBondContact CD1-OH 3.41Å; L2005-Y2241 HydrophobicContact CD2-CE2 4.29Å | ||
| 2006 | N | 26.4 | Very low | 28.1 | Very low | 143.8 Ų | 143.8 | 130.9 Ų | 130.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | -120.4 | 150.9 | 124.9 | -91.7 | -25.4 | 0 | 0 | 0 | 111.8 | |||||
| 2007 | F | 25.5 | Very low | 27.8 | Very low | 169.6 Ų | 169.6 | 130 Ų | 130 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -128.9 | 125.3 | 167 | -105.5 | -87.3 | 0 | 0 | 0 | 113.2 | L2005 F2009 | L2005-F2007 HydrophobicContact CB-CD2 4.17Å; L2005-F2007 HydrophobicContact CD1-CD2 3.98Å; L2005-F2007 HydrophobicContact CD1-CE2 4.08Å; L2005-F2007 HydrophobicContact CD2-CD2 4Å; L2005-F2007 HydrophobicContact CD2-CE2 4.02Å; L2005-F2007 HydrophobicContact CG-CD2 4.27Å; F2007-F2009 HydrophobicContact CB-CD2 3.74Å; F2007-F2009 HydrophobicContact CB-CE2 3.58Å; F2007-F2009 HydrophobicContact CB-CZ 4.46Å; F2007-F2009 AromaticContact CD1-CD1 3.84Å; F2007-F2009 HydrophobicContact CD1-CD1 3.84Å; F2007-F2009 AromaticContact CD1-CD2 3.69Å; F2007-F2009 HydrophobicContact CD1-CD2 3.69Å; F2007-F2009 VanDerWaalsContact CD1-CD2 3.42Å; F2007-F2009 AromaticContact CD1-CE1 3.79Å; F2007-F2009 HydrophobicContact CD1-CE1 3.79Å; F2007-F2009 AromaticContact CD1-CE2 3.52Å; F2007-F2009 HydrophobicContact CD1-CE2 3.52Å; F2007-F2009 AromaticContact CD1-CG 3.66Å; F2007-F2009 HydrophobicContact CD1-CG 3.66Å; F2007-F2009 AromaticContact CD1-CZ 3.55Å; F2007-F2009 HydrophobicContact CD1-CZ 3.99Å; F2007-F2009 AromaticContact CD2-CE2 3.95Å; F2007-F2009 HydrophobicContact CD2-CE2 3.95Å; F2007-F2009 HydrophobicContact CD2-CZ 4.03Å; F2007-F2009 AromaticContact CE1-CD1 3.77Å; F2007-F2009 HydrophobicContact CE1-CD1 3.77Å; F2007-F2009 HydrophobicContact CE1-CD2 4.34Å; F2007-F2009 AromaticContact CE1-CE1 3.5Å; F2007-F2009 HydrophobicContact CE1-CE1 3.5Å; F2007-F2009 AromaticContact CE1-CE2 3.8Å; F2007-F2009 HydrophobicContact CE1-CE2 3.8Å; F2007-F2009 HydrophobicContact CE1-CG 4.1Å; F2007-F2009 AromaticContact CE1-CZ 3.58Å; F2007-F2009 HydrophobicContact CE1-CZ 3.93Å; F2007-F2009 HydrophobicContact CE2-CE2 4.45Å; F2007-F2009 HydrophobicContact CE2-CZ 4.07Å; F2007-F2009 AromaticContact CG-CD2 3.75Å; F2007-F2009 HydrophobicContact CG-CD2 3.75Å; F2007-F2009 HydrophobicContact CG-CE1 4.46Å; F2007-F2009 AromaticContact CG-CE2 3.36Å; F2007-F2009 HydrophobicContact CG-CE2 3.36Å; F2007-F2009 HydrophobicContact CG-CG 4.44Å; F2007-F2009 AromaticContact CG-CZ 3.77Å; F2007-F2009 HydrophobicContact CG-CZ 3.77Å; F2007-F2009 AromaticContact CZ-CE1 3.98Å; F2007-F2009 HydrophobicContact CZ-CE1 3.98Å; F2007-F2009 HydrophobicContact CZ-CE2 4.44Å; F2007-F2009 AromaticContact CZ-CZ 3.85Å; F2007-F2009 HydrophobicContact CZ-CZ 3.85Å | ||
| 2008 | V | 26.4 | Very low | 27.6 | Very low | 120.8 Ų | 120.8 | 130.7 Ų | 130.7 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -53 | 121.6 | 155.1 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | T2010 | V2008-T2010 WeakPolarHBondContact CG1-OG1 3.4Š| ||
| 2009 | F | 27.2 | Very low | 27.6 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | trans | -135.9 | 124.2 | 154 | -103 | -74.7 | 0 | 0 | 0 | 111.9 | F2007 | F2007-F2009 HydrophobicContact CB-CD2 3.74Å; F2007-F2009 HydrophobicContact CB-CE2 3.58Å; F2007-F2009 HydrophobicContact CB-CZ 4.46Å; F2007-F2009 AromaticContact CD1-CD1 3.84Å; F2007-F2009 HydrophobicContact CD1-CD1 3.84Å; F2007-F2009 AromaticContact CD1-CD2 3.69Å; F2007-F2009 HydrophobicContact CD1-CD2 3.69Å; F2007-F2009 VanDerWaalsContact CD1-CD2 3.42Å; F2007-F2009 AromaticContact CD1-CE1 3.79Å; F2007-F2009 HydrophobicContact CD1-CE1 3.79Å; F2007-F2009 AromaticContact CD1-CE2 3.52Å; F2007-F2009 HydrophobicContact CD1-CE2 3.52Å; F2007-F2009 AromaticContact CD1-CG 3.66Å; F2007-F2009 HydrophobicContact CD1-CG 3.66Å; F2007-F2009 AromaticContact CD1-CZ 3.55Å; F2007-F2009 HydrophobicContact CD1-CZ 3.99Å; F2007-F2009 AromaticContact CD2-CE2 3.95Å; F2007-F2009 HydrophobicContact CD2-CE2 3.95Å; F2007-F2009 HydrophobicContact CD2-CZ 4.03Å; F2007-F2009 AromaticContact CE1-CD1 3.77Å; F2007-F2009 HydrophobicContact CE1-CD1 3.77Å; F2007-F2009 HydrophobicContact CE1-CD2 4.34Å; F2007-F2009 AromaticContact CE1-CE1 3.5Å; F2007-F2009 HydrophobicContact CE1-CE1 3.5Å; F2007-F2009 AromaticContact CE1-CE2 3.8Å; F2007-F2009 HydrophobicContact CE1-CE2 3.8Å; F2007-F2009 HydrophobicContact CE1-CG 4.1Å; F2007-F2009 AromaticContact CE1-CZ 3.58Å; F2007-F2009 HydrophobicContact CE1-CZ 3.93Å; F2007-F2009 HydrophobicContact CE2-CE2 4.45Å; F2007-F2009 HydrophobicContact CE2-CZ 4.07Å; F2007-F2009 AromaticContact CG-CD2 3.75Å; F2007-F2009 HydrophobicContact CG-CD2 3.75Å; F2007-F2009 HydrophobicContact CG-CE1 4.46Å; F2007-F2009 AromaticContact CG-CE2 3.36Å; F2007-F2009 HydrophobicContact CG-CE2 3.36Å; F2007-F2009 HydrophobicContact CG-CG 4.44Å; F2007-F2009 AromaticContact CG-CZ 3.77Å; F2007-F2009 HydrophobicContact CG-CZ 3.77Å; F2007-F2009 AromaticContact CZ-CE1 3.98Å; F2007-F2009 HydrophobicContact CZ-CE1 3.98Å; F2007-F2009 HydrophobicContact CZ-CE2 4.44Å; F2007-F2009 AromaticContact CZ-CZ 3.85Å; F2007-F2009 HydrophobicContact CZ-CZ 3.85Å | ||
| 2010 | T | 25.7 | Very low | 27.4 | Very low | 116.2 Ų | 116.2 | 130 Ų | 130 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -102.9 | 154.6 | 160.3 | 51.5 | 0 | 0 | 0 | 0 | 110 | V2008 | V2008-T2010 WeakPolarHBondContact CG1-OG1 3.4Š| ||
| 2011 | P | 32.8 | Very low | 27.4 | Very low | 113.8 Ų | 113.8 | 130.2 Ų | 130.2 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | -112.5 | 138.6 | 174.6 | 29.4 | -18.2 | 0 | 0 | 0 | 113.4 | F2013 | P2011-F2013 PolarHBondContact O-N 2.94Š| ||
| 2012 | N | 24.5 | Very low | 27.2 | Very low | 144.8 Ų | 144.8 | 130.1 Ų | 130.1 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | trans | -26.4 | 134.2 | 154.6 | -84.9 | -30.2 | 0 | 0 | 0 | 112.9 | ||||
| 2013 | F | 28.8 | Very low | 27.3 | Very low | 197.6 Ų | 197.6 | 134 Ų | 134 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -148.2 | 121.4 | 160.2 | -91.4 | -78.5 | 0 | 0 | 0 | 112.6 | P2011 | P2011-F2013 PolarHBondContact O-N 2.94Š| ||
| 2014 | S | 25.7 | Very low | 27.3 | Very low | 105.6 Ų | 105.6 | 135.2 Ų | 135.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -120.4 | 133 | 172.2 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2015 | A | 27.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -106.7 | 120 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2016 | S | 27.5 | Very low | 27.5 | Very low | 111.6 Ų | 111.6 | 136.9 Ų | 136.9 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -147.4 | 128.6 | 159.6 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2017 | S | 26.7 | Very low | 27.6 | Very low | 112.4 Ų | 112.4 | 135 Ų | 135 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -144.6 | 147.2 | 160 | 58.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2018 | C | 27.6 | Very low | 27.8 | Very low | 122.2 Ų | 122.2 | 132.6 Ų | 132.6 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -178.4 | 134.1 | 139.9 | -87.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2019 | S | 29.2 | Very low | 27.9 | Very low | 105.8 Ų | 105.8 | 130.2 Ų | 130.2 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -62 | 141.6 | 133.3 | -35 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2020 | D | 28.4 | Very low | 28 | Very low | 155.8 Ų | 155.8 | 130.7 Ų | 130.7 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | -33.3 | 144 | 148.1 | -79.7 | -41.6 | 0 | 0 | 0 | 116.3 | ||||
| 2021 | S | 29.1 | Very low | 28.2 | Very low | 104.6 Ų | 104.6 | 129.6 Ų | 129.6 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | trans | -137.1 | 124.9 | 142.6 | 146.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2022 | I | 26.6 | Very low | 28.1 | Very low | 141 Ų | 141 | 132 Ų | 132 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | -76.3 | 130.7 | 157.1 | -68 | 164.5 | 0 | 0 | 0 | 112 | Q2024 | I2022-Q2024 HydrophobicContact CG2-CB 4.34Š| ||
| 2023 | F | 28.9 | Very low | 28.4 | Very low | 185.4 Ų | 185.4 | 131 Ų | 131 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -130.2 | 133.2 | 132.9 | -93.3 | -73.6 | 0 | 0 | 0 | 114.4 | ||||
| 2024 | Q | 27.1 | Very low | 28.5 | Very low | 147.2 Ų | 147.2 | 126.9 Ų | 126.9 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | 106.9 | 133.7 | 146.2 | -132 | -173.4 | 3.7 | 0 | 0 | 115.5 | I2022 | I2022-Q2024 HydrophobicContact CG2-CB 4.34Š| ||
| 2025 | I | 29.1 | Very low | 29 | Very low | 136.2 Ų | 136.2 | 127.4 Ų | 127.4 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | trans | 127.3 | 113.5 | 135.5 | -66.5 | 167.9 | 0 | 0 | 0 | 112.6 | ||||
| 2026 | Q | 27.1 | Very low | 29.1 | Very low | 157.6 Ų | 157.6 | 128.4 Ų | 128.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 85.6 | 127.5 | 66.7 | -103.3 | -175.8 | -10.9 | 0 | 0 | 114 | S2028 | Q2026-S2028 PolarHBondContact O-N 3.2Š| |||
| 2027 | S | 28.4 | Very low | 29.3 | Very low | 102.8 Ų | 102.8 | 132.3 Ų | 132.3 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | 102.4 | 127.6 | 151.8 | -51.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2028 | S | 29.4 | Very low | 29.6 | Very low | 120.4 Ų | 120.4 | 134.4 Ų | 134.4 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | 71.8 | 139.3 | 127.9 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | Q2026 | Q2026-S2028 PolarHBondContact O-N 3.2Š| |||
| 2029 | G | 29.6 | Very low | 29.8 | Very low | 70.8 Ų | 70.8 | 132.9 Ų | 132.9 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | 157.4 | 123.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2030 | E | 28.9 | Very low | 30.2 | Very low | 190.6 Ų | 190.6 | 135.3 Ų | 135.3 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | trans | 26.7 | 137.5 | 155.4 | -76.6 | 176.3 | 119 | 0 | 0 | 114.5 | ||||
| 2031 | S | 28.9 | Very low | 30.4 | Very low | 91.4 Ų | 91.4 | 134.5 Ų | 134.5 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | 161.2 | 161 | 102.6 | 63.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 2032 | H | 31.1 | Very low | 30.7 | Very low | 165.4 Ų | 165.4 | 136 Ų | 136 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | 84.5 | 125 | 150.7 | -72.4 | -53.7 | 0 | 0 | 0 | 120.7 | ||||
| 2033 | T | 31.6 | Very low | 31.1 | Very low | 124.4 Ų | 124.4 | 135.5 Ų | 135.5 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | 75.3 | 118.8 | 127.1 | 45.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 2034 | S | 29.6 | Very low | 31.4 | Very low | 111.4 Ų | 111.4 | 132.6 Ų | 132.6 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -35.5 | 168.2 | 142.4 | -39.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2035 | P | 37.2 | Very low | 31.8 | Very low | 115.2 Ų | 115.2 | 131.4 Ų | 131.4 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | -143 | 175.9 | 57.3 | 41.3 | -24.2 | 0 | 0 | 0 | 116.9 | |||||
| 2036 | T | 29.3 | Very low | 32.1 | Very low | 123.6 Ų | 123.6 | 131.6 Ų | 131.6 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | trans | 66.3 | 125.5 | 149.8 | -44 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2037 | Y | 31.6 | Very low | 32.6 | Very low | 194.6 Ų | 194.6 | 133.1 Ų | 133.1 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 106.8 | 133.3 | 130.6 | -135.1 | -107.6 | 0 | 0 | 0 | 118.2 | ||||
| 2038 | E | 32.4 | Very low | 33 | Very low | 156.6 Ų | 156.6 | 136.5 Ų | 136.5 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 160.4 | 159.9 | 131.5 | -73.6 | -155.7 | 139.3 | 0 | 0 | 115.2 | ||||
| 2039 | S | 32.3 | Very low | 33.3 | Very low | 90.8 Ų | 90.8 | 134.6 Ų | 134.6 | 64% | 0.635 | 75% | 0.752 | S | S | * | * | trans | -149.4 | 143.8 | 173.2 | -179 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2040 | L | 36.9 | Very low | 33.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | 161 | 128.7 | 155.4 | -95.9 | 106.3 | 0 | 0 | 0 | 113.4 | ||||
| 2041 | D | 33.3 | Very low | 33.9 | Very low | 138.4 Ų | 138.4 | 132.3 Ų | 132.3 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | -70.4 | 159.3 | 113.7 | -65.5 | -54.7 | 0 | 0 | 0 | 116.9 | |||||
| 2042 | D | 35.9 | Very low | 34.1 | Very low | 137.2 Ų | 137.2 | 138.4 Ų | 138.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 128.8 | 114.2 | 138.2 | -100.3 | -5.5 | 0 | 0 | 0 | 119.2 | ||||
| 2043 | N | 34.8 | Very low | 34.2 | Very low | 128.6 Ų | 128.6 | 140.5 Ų | 140.5 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | trans | 76.3 | 126.5 | 134.8 | -64.6 | -50.7 | 0 | 0 | 0 | 122.2 | ||||
| 2044 | V | 34.1 | Very low | 34.3 | Very low | 124.4 Ų | 124.4 | 142 Ų | 142 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | 94 | 124.9 | 89.9 | 162.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2045 | V | 37 | Very low | 34.6 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | 178.5 | 144.5 | 84 | 137.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2046 | D | 34.9 | Very low | 34.3 | Very low | 141.4 Ų | 141.4 | 142.6 Ų | 142.6 | 76% | 0.756 | 76% | 0.757 | S | S | * | * | trans | -36.2 | 164.9 | 163.4 | -50.3 | -57.1 | 0 | 0 | 0 | 118.5 | ||||
| 2047 | E | 38.4 | Very low | 34.6 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | -164.3 | 162.7 | 77.2 | -106.5 | -177.6 | 159 | 0 | 0 | 114.5 | |||||
| 2048 | E | 35.4 | Very low | 34.6 | Very low | 173.2 Ų | 173.2 | 141.2 Ų | 141.2 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | trans | -128.4 | 151.8 | -137.5 | -127.5 | -155.1 | 121.8 | 0 | 0 | 114.6 | ||||
| 2049 | A | 36 | Very low | 34.6 | Very low | 80.4 Ų | 80.4 | 140 Ų | 140 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 108.9 | 152.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2050 | T | 36.2 | Very low | 34.5 | Very low | 130.2 Ų | 130.2 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | 127.8 | 128.2 | 150.5 | -28.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2051 | A | 34.5 | Very low | 34.3 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -149 | 133.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2052 | R | 34.5 | Very low | 34 | Very low | 219.2 Ų | 219.2 | 141.6 Ų | 141.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 148.8 | 140 | 132.9 | -79.9 | 149.3 | -168.7 | -157.3 | 3.5 | 111.5 | ||||
| 2053 | R | 31.5 | Very low | 33.9 | Very low | 209.4 Ų | 209.4 | 142.6 Ų | 142.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | 115.8 | 146.3 | 23.6 | -102.6 | -169 | -155.4 | -156.5 | 2.7 | 113.4 | ||||
| 2054 | I | 34.6 | Very low | 33.7 | Very low | 154.8 Ų | 154.8 | 140.6 Ų | 140.6 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 94.9 | 131.8 | 157.3 | -71.1 | 165.8 | 0 | 0 | 0 | 115.2 | ||||
| 2055 | A | 35.2 | Very low | 33.6 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -179.1 | 159.5 | 14.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2056 | D | 32.3 | Very low | 33.3 | Very low | 158.4 Ų | 158.4 | 142.2 Ų | 142.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | 77.3 | 118.3 | 140.3 | -82.9 | -30.9 | 0 | 0 | 0 | 119.4 | ||||
| 2057 | A | 34.9 | Very low | 33 | Very low | 99.8 Ų | 99.8 | 140.5 Ų | 140.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 162.1 | 136.1 | 122.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 2058 | K | 31 | Very low | 32.6 | Very low | 187.4 Ų | 187.4 | 134.2 Ų | 134.2 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | 164.8 | 133.8 | 154.1 | -162.9 | -168.3 | 178 | 178.4 | 0 | 114.2 | T2060 | K2058-T2060 HydrophobicContact CD-CG2 4.49Å; K2058-T2060 HydrophobicContact CG-CG2 4.22Å | ||
| 2059 | V | 33.1 | Very low | 32.3 | Very low | 132.2 Ų | 132.2 | 131.6 Ų | 131.6 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -151.3 | 154.2 | 177.1 | 145.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2060 | T | 30.1 | Very low | 31.9 | Very low | 113.8 Ų | 113.8 | 138.8 Ų | 138.8 | 70% | 0.698 | 76% | 0.762 | S | S | * | * | trans | 179.3 | 149.3 | -177.8 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | K2058 | K2058-T2060 HydrophobicContact CD-CG2 4.49Å; K2058-T2060 HydrophobicContact CG-CG2 4.22Å | ||
| 2061 | R | 31.7 | Very low | 31.4 | Very low | 212.4 Ų | 212.4 | 136.6 Ų | 136.6 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | -174.3 | 140.7 | 122.3 | -141 | 177.3 | 158.7 | 153.8 | -1.1 | 112.4 | E2063 | R2061-E2063 IonicContact CZ-OE1 3.3Å; R2061-E2063 IonicContact NE-OE1 2.93Å; R2061-E2063 PolarHBondContact NE-OE1 3.44Å; R2061-E2063 IonicContact NH2-OE1 3.61Å; R2061-E2063 PolarHBondContact NH2-OE1 3.16Å; R2061-E2063 IonicContact NH2-OE2 3.26Å; R2061-E2063 PolarHBondContact NH2-OE2 3.16Å | |||
| 2062 | S | 28.4 | Very low | 31 | Very low | 91.8 Ų | 91.8 | 142.9 Ų | 142.9 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | trans | -34.9 | 146.3 | 130.8 | -55.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2063 | E | 32.6 | Very low | 30.8 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | 174.5 | 139.5 | 113.6 | -79.9 | 148.5 | -134.1 | 0 | 0 | 111.8 | R2061 | R2061-E2063 IonicContact CZ-OE1 3.3Å; R2061-E2063 IonicContact NE-OE1 2.93Å; R2061-E2063 PolarHBondContact NE-OE1 3.44Å; R2061-E2063 IonicContact NH2-OE1 3.61Å; R2061-E2063 PolarHBondContact NH2-OE1 3.16Å; R2061-E2063 IonicContact NH2-OE2 3.26Å; R2061-E2063 PolarHBondContact NH2-OE2 3.16Å | |||
| 2064 | A | 30.6 | Very low | 30.6 | Very low | 86.8 Ų | 86.8 | 138.7 Ų | 138.7 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | cis | 150.1 | 144.7 | 12.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2065 | V | 33.8 | Very low | 30.3 | Very low | 138.4 Ų | 138.4 | 140.8 Ų | 140.8 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 69.2 | 129.7 | 149.7 | -176.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2066 | D | 30.1 | Very low | 30 | Very low | 142.2 Ų | 142.2 | 143.9 Ų | 143.9 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -159.4 | 161.1 | 101.6 | -140.9 | -18.3 | 0 | 0 | 0 | 116.5 | |||||
| 2067 | S | 28.5 | Very low | 29.9 | Very low | 104.8 Ų | 104.8 | 144 Ų | 144 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -2.6 | 139.4 | 164.4 | -45.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2068 | G | 30 | Very low | 29.7 | Very low | 58.2 Ų | 58.2 | 144.1 Ų | 144.1 | 60% | 0.6 | 75% | 0.745 | S | S | * | * | trans | 160.7 | 92.5 | 161 | 0 | 0 | 0 | 0 | 0 | 115.8 | W2070 | G2068-W2070 PolarHBondContact O-N 2.89Š| ||
| 2069 | T | 28 | Very low | 29.6 | Very low | 118.8 Ų | 118.8 | 138 Ų | 138 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | 47 | 114.1 | 124.5 | -49.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 2070 | W | 27.6 | Very low | 29.5 | Very low | 231.4 Ų | 231.4 | 141.3 Ų | 141.3 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | 179.8 | 150.4 | 162.5 | -77.3 | 73.3 | 0 | 0 | 0 | 114.3 | G2068 | G2068-W2070 PolarHBondContact O-N 2.89Š| ||
| 2071 | S | 26.7 | Very low | 29.6 | Very low | 82.8 Ų | 82.8 | 143.5 Ų | 143.5 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | trans | -176.3 | 137.6 | -153 | -34.8 | 0 | 0 | 0 | 0 | 112.9 | P2073 | S2071-P2073 WeakPolarHBondContact O-CD 3.3Š| ||
| 2072 | Y | 25.8 | Very low | 29.5 | Very low | 218.2 Ų | 218.2 | 137.8 Ų | 137.8 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -36 | 148.7 | 166.5 | -81.2 | -88 | 0 | 0 | 0 | 116.1 | R2074 | Y2072-R2074 HydrophobicContact CD1-CB 4.42Š| ||
| 2073 | P | 30.3 | Very low | 29.7 | Very low | 122.2 Ų | 122.2 | 140.6 Ų | 140.6 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -110.8 | 155.7 | 141.2 | 35.6 | -30.8 | 0 | 0 | 0 | 113.8 | S2071 | S2071-P2073 WeakPolarHBondContact O-CD 3.3Š| ||
| 2074 | R | 26.6 | Very low | 29.7 | Very low | 218 Ų | 218 | 140 Ų | 140 | 82% | 0.823 | 73% | 0.733 | S | S | * | * | trans | -112.3 | 132.7 | 178 | -168.6 | -166.4 | -89.3 | -176 | -1.2 | 111.1 | K1642 Y2072 E2076 | K1642-R2074 PolarHBondContact NZ-O 2.93Å; Y2072-R2074 HydrophobicContact CD1-CB 4.42Å; R2074-E2076 HydrophobicContact CB-CG 4.26Å; R2074-E2076 VanDerWaalsContact CD-OE1 3.32Å; R2074-E2076 WeakPolarHBondContact CD-OE1 3.3Å; R2074-E2076 HydrophobicContact CG-CG 4.49Å; R2074-E2076 IonicContact CZ-OE1 2.71Å; R2074-E2076 VanDerWaalsContact CZ-OE1 3.29Å; R2074-E2076 IonicContact NE-OE1 3.22Å; R2074-E2076 IonicContact NH1-OE1 3.5Å; R2074-E2076 PolarHBondContact NH1-OE1 3.4Å; R2074-E2076 IonicContact NH1-OE2 3.15Å | ||
| 2075 | R | 28.2 | Very low | 29.7 | Very low | 198.2 Ų | 198.2 | 143.5 Ų | 143.5 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 159.5 | 143.2 | 157.3 | -98 | -178.9 | -174.9 | -116.7 | -0.4 | 112.1 | K1642 | K1642-R2075 PolarHBondContact O-NH2 2.98Š| ||
| 2076 | E | 29.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | -175.4 | 132.7 | 124.6 | -94.4 | 150.3 | -163.5 | 0 | 0 | 114.8 | R2074 | R2074-E2076 HydrophobicContact CB-CG 4.26Å; R2074-E2076 VanDerWaalsContact CD-OE1 3.32Å; R2074-E2076 WeakPolarHBondContact CD-OE1 3.3Å; R2074-E2076 HydrophobicContact CG-CG 4.49Å; R2074-E2076 IonicContact CZ-OE1 2.71Å; R2074-E2076 VanDerWaalsContact CZ-OE1 3.29Å; R2074-E2076 IonicContact NE-OE1 3.22Å; R2074-E2076 IonicContact NH1-OE1 3.5Å; R2074-E2076 PolarHBondContact NH1-OE1 3.4Å; R2074-E2076 IonicContact NH1-OE2 3.15Å | |||
| 2077 | E | 29.7 | Very low | 29.8 | Very low | 159.8 Ų | 159.8 | 142.9 Ų | 142.9 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -40.5 | 151.6 | 165.1 | -75.9 | -69 | 130.2 | 0 | 0 | 115.5 | G2079 | E2077-G2079 PolarHBondContact O-N 3.43Å; E2077-G2079 VanDerWaalsContact O-N 3.1Å; E2077-G2079 PolarHBondContact OE2-N 3.37Å | ||
| 2078 | P | 31.9 | Very low | 30.2 | Very low | 101.8 Ų | 101.8 | 143.7 Ų | 143.7 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | trans | -126.5 | 139.1 | 149.9 | 37.6 | -26.1 | 0 | 0 | 0 | 116.3 | Y2080 | P2078-Y2080 HydrophobicContact CB-CD2 4.26Å; P2078-Y2080 HydrophobicContact CB-CE2 4.1Å; P2078-Y2080 HydrophobicContact CG-CD2 4.47Å; P2078-Y2080 HydrophobicContact CG-CE2 4.23Å; P2078-Y2080 WeakPolarHBondContact O-CD2 3.37Å; P2078-Y2080 PolarHBondContact O-N 2.91Å | ||
| 2079 | G | 29 | Very low | 30.5 | Very low | 60.6 Ų | 60.6 | 145.6 Ų | 145.6 | 63% | 0.625 | 73% | 0.732 | S | S | * | * | trans | 100.9 | 129.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | E2077 H2081 | E2077-G2079 PolarHBondContact O-N 3.43Å; E2077-G2079 VanDerWaalsContact O-N 3.1Å; E2077-G2079 PolarHBondContact OE2-N 3.37Å; G2079-H2081 PolarHBondContact O-N 3.11Å | ||
| 2080 | Y | 31 | Very low | 30.7 | Very low | 200.8 Ų | 200.8 | 147 Ų | 147 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | trans | 43.6 | 103.3 | 160.3 | -72.4 | -84 | 0 | 0 | 0 | 120.4 | S1408 P2078 | S1408-Y2080 PolarHBondContact O-OH 3.49Å; S1408-Y2080 VanDerWaalsContact O-OH 3.12Å; P2078-Y2080 HydrophobicContact CB-CD2 4.26Å; P2078-Y2080 HydrophobicContact CB-CE2 4.1Å; P2078-Y2080 HydrophobicContact CG-CD2 4.47Å; P2078-Y2080 HydrophobicContact CG-CE2 4.23Å; P2078-Y2080 WeakPolarHBondContact O-CD2 3.37Å; P2078-Y2080 PolarHBondContact O-N 2.91Å | ||
| 2081 | H | 30.5 | Very low | 31 | Very low | 159.4 Ų | 159.4 | 143.1 Ų | 143.1 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | 39 | 131 | 128.6 | -107 | -75.5 | 0 | 0 | 0 | 117.3 | G2079 H2083 | G2079-H2081 PolarHBondContact O-N 3.11Å; H2081-H2083 AromaticContact CE1-CD2 3.74Å; H2081-H2083 AromaticContact CE1-CE1 3.86Å; H2081-H2083 AromaticContact CE1-NE2 3.28Å; H2081-H2083 PolarHBondContact CE1-NE2 3.09Å; H2081-H2083 VanDerWaalsContact CE1-NE2 3.28Å; H2081-H2083 AromaticContact ND1-CD2 3.58Å; H2081-H2083 PolarHBondContact ND1-CD2 3.18Å; H2081-H2083 AromaticContact ND1-NE2 3.41Å; H2081-H2083 PolarHBondContact ND1-NE2 3.28Å; H2081-H2083 PolarHBondContact O-N 2.89Å | |||
| 2082 | S | 31.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | -122.3 | 116.4 | 157.3 | 54 | 0 | 0 | 0 | 0 | 113 | ||||
| 2083 | H | 32.2 | Very low | 31.6 | Very low | 151.4 Ų | 151.4 | 138.4 Ų | 138.4 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 135.3 | 121.7 | 141.3 | -70.2 | -52.2 | 0 | 0 | 0 | 115.4 | H2081 | H2081-H2083 AromaticContact CE1-CD2 3.74Å; H2081-H2083 AromaticContact CE1-CE1 3.86Å; H2081-H2083 AromaticContact CE1-NE2 3.28Å; H2081-H2083 PolarHBondContact CE1-NE2 3.09Å; H2081-H2083 VanDerWaalsContact CE1-NE2 3.28Å; H2081-H2083 AromaticContact ND1-CD2 3.58Å; H2081-H2083 PolarHBondContact ND1-CD2 3.18Å; H2081-H2083 AromaticContact ND1-NE2 3.41Å; H2081-H2083 PolarHBondContact ND1-NE2 3.28Å; H2081-H2083 PolarHBondContact O-N 2.89Å | ||
| 2084 | I | 32.6 | Very low | 31.8 | Very low | 146.8 Ų | 146.8 | 138.9 Ų | 138.9 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | 179.6 | 114.5 | 151.7 | -68.3 | 164.2 | 0 | 0 | 0 | 113 | ||||
| 2085 | F | 31 | Very low | 31.9 | Very low | 159.8 Ų | 159.8 | 135.6 Ų | 135.6 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -122.1 | 140.7 | 150.6 | -90.6 | -75.7 | 0 | 0 | 0 | 109.7 | L2087 | F2085-L2087 HydrophobicContact CB-CD1 4.45Å; F2085-L2087 HydrophobicContact CB-CG 4.35Å; F2085-L2087 HydrophobicContact CD1-CD2 4.39Å; F2085-L2087 HydrophobicContact CD1-CG 4.32Å | ||
| 2086 | P | 36.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -95.7 | 136.9 | 157.5 | 9.2 | 4.6 | 0 | 0 | 0 | 112.3 | ||||
| 2087 | L | 30.1 | Very low | 32.1 | Very low | 149.4 Ų | 149.4 | 131.5 Ų | 131.5 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | -111.6 | 141.3 | 167.7 | -80.9 | 169.8 | 0 | 0 | 0 | 109.6 | F2085 | F2085-L2087 HydrophobicContact CB-CD1 4.45Å; F2085-L2087 HydrophobicContact CB-CG 4.35Å; F2085-L2087 HydrophobicContact CD1-CD2 4.39Å; F2085-L2087 HydrophobicContact CD1-CG 4.32Å | ||
| 2088 | V | 35.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -120.9 | 137.2 | 165.1 | 161.6 | 0 | 0 | 0 | 0 | 109.9 | D2090 | V2088-D2090 PolarHBondContact O-N 3.07Š| ||
| 2089 | P | 36.3 | Very low | 32.1 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -96.5 | 151.3 | 164.4 | 12 | 6.4 | 0 | 0 | 0 | 113.5 | V2211 P2212 S2213 | P2089-V2211 VanDerWaalsContact CB-O 3.29Å; P2089-V2211 WeakPolarHBondContact CB-O 3.26Å; P2089-P2212 HydrophobicContact CB-CB 4.48Å; P2089-P2212 HydrophobicContact CB-CG 4.11Å; P2089-P2212 VanDerWaalsContact CB-N 3.32Å; P2089-S2213 VanDerWaalsContact CG-OG 3.23Å; P2089-S2213 WeakPolarHBondContact CG-OG 3.33Å | ||
| 2090 | D | 33.1 | Very low | 32.3 | Very low | 147.6 Ų | 147.6 | 134.5 Ų | 134.5 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -100.9 | 143.8 | 162 | -82.4 | -45.9 | 0 | 0 | 0 | 112.3 | V2088 V2210 | V2088-D2090 PolarHBondContact O-N 3.07Å; D2090-V2210 CarbonylContact C-O 3.43Å; D2090-V2210 PolarHBondContact N-O 2.98Å; D2090-V2210 PolarHBondContact O-N 3.13Å; D2090-V2210 VanDerWaalsContact O-N 3.15Å | ||
| 2091 | D | 34.1 | Very low | 32.1 | Very low | 149.4 Ų | 149.4 | 133.6 Ų | 133.6 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -144 | 127.9 | 158.3 | -135.7 | -18.5 | 0 | 0 | 0 | 112.3 | P2212 | D2091-P2212 HydrophobicContact CB-CG 4.49Š| ||
| 2092 | S | 33.5 | Very low | 32.2 | Very low | 105.6 Ų | 105.6 | 133.3 Ų | 133.3 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 87.9 | 124.1 | 157.7 | 63.4 | 0 | 0 | 0 | 0 | 118.3 | V2094 | S2092-V2094 PolarHBondContact O-N 3.46Š| ||
| 2093 | A | 30.3 | Very low | 32 | Very low | 96.8 Ų | 96.8 | 134 Ų | 134 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -60.6 | 146.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2094 | V | 35.3 | Very low | 31.9 | Very low | 133.6 Ų | 133.6 | 135.7 Ų | 135.7 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | -150.4 | 138 | 122.5 | -165.5 | 0 | 0 | 0 | 0 | 112 | S2092 | S2092-V2094 PolarHBondContact O-N 3.46Š| |||
| 2095 | N | 28.9 | Very low | 31.8 | Very low | 148.8 Ų | 148.8 | 134.2 Ų | 134.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -60.9 | 147.9 | 167.8 | -58 | -27.7 | 0 | 0 | 0 | 111.7 | ||||
| 2096 | D | 33 | Very low | 31.6 | Very low | 161.4 Ų | 161.4 | 131.8 Ų | 131.8 | 86% | 0.863 | 77% | 0.774 | S | S | * | * | -155 | 152.3 | 115.6 | -119.9 | -30.3 | 0 | 0 | 0 | 113 | |||||
| 2097 | S | 29.6 | Very low | 31.2 | Very low | 97.8 Ų | 97.8 | 131.9 Ų | 131.9 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | -105.2 | 132.4 | 176.5 | -121.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 2098 | C | 31.1 | Very low | 31.2 | Very low | 122.6 Ų | 122.6 | 130.3 Ų | 130.3 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -169.2 | 119 | 148.2 | -114.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2099 | D | 28.9 | Very low | 30.8 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -60.3 | 137.8 | 162.6 | -58.9 | -68.9 | 0 | 0 | 0 | 113.9 | ||||
| 2100 | S | 33.3 | Very low | 30.5 | Very low | 108.4 Ų | 108.4 | 141.7 Ų | 141.7 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -167.4 | 112.5 | 151.9 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2101 | E | 27.9 | Very low | 30.1 | Very low | 181.8 Ų | 181.8 | 144.8 Ų | 144.8 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -56 | 128 | 168.3 | -61.7 | 177.9 | 112.6 | 0 | 0 | 112.9 | ||||
| 2102 | I | 32.5 | Very low | 30 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 105.6 | 143.3 | -62.9 | 169.3 | 0 | 0 | 0 | 109.9 | F2104 | I2102-F2104 HydrophobicContact CG2-CD2 4.21Å; I2102-F2104 HydrophobicContact CG2-CE2 4.43Å | ||
| 2103 | T | 27.6 | Very low | 29.8 | Very low | 107.4 Ų | 107.4 | 143.9 Ų | 143.9 | 66% | 0.659 | 79% | 0.79 | S | S | * | * | trans | -52.1 | 132.8 | 161.5 | -49.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2104 | F | 28.8 | Very low | 29.7 | Very low | 186.8 Ų | 186.8 | 147.8 Ų | 147.8 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | -150 | 157.2 | 143.4 | -72 | -72.5 | 0 | 0 | 0 | 113.2 | I2102 | I2102-F2104 HydrophobicContact CG2-CD2 4.21Å; I2102-F2104 HydrophobicContact CG2-CE2 4.43Å | ||
| 2105 | P | 31.4 | Very low | 29.4 | Very low | 115.4 Ų | 115.4 | 146.5 Ų | 146.5 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | -118.3 | 178.3 | -105.4 | 35.7 | -25.6 | 0 | 0 | 0 | 113.4 | |||||
| 2106 | S | 27.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -93.7 | 158.1 | -173.5 | -152.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2107 | C | 27.9 | Very low | 29.1 | Very low | 119.4 Ų | 119.4 | 144.3 Ų | 144.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 103.4 | 129.8 | 157 | -101.5 | 0 | 0 | 0 | 0 | 114.6 | R2109 | C2107-R2109 PolarHBondContact O-N 3.31Š| ||
| 2108 | S | 29.4 | Very low | 29 | Very low | 115.6 Ų | 115.6 | 144.2 Ų | 144.2 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | -128.1 | 143.6 | 85.9 | -80.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2109 | R | 27.9 | Very low | 28.9 | Very low | 221 Ų | 221 | 143.5 Ų | 143.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -73.8 | 122.8 | 162 | -148 | -170.6 | -144.1 | -174.4 | -1.1 | 113.5 | C2107 | C2107-R2109 PolarHBondContact O-N 3.31Š| ||
| 2110 | R | 28.4 | Very low | 28.9 | Very low | 239.2 Ų | 239.2 | 144.9 Ų | 144.9 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -137.2 | 143.9 | 135 | -88.2 | -174.4 | 176.8 | -169.8 | -0.1 | 112.3 | V2112 | R2110-V2112 PolarHBondContact O-N 2.99Š| ||
| 2111 | R | 26 | Very low | 28.7 | Very low | 212.2 Ų | 212.2 | 145.2 Ų | 145.2 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -18.7 | 129.1 | 154.7 | -88.8 | -173.2 | -176.4 | 175.1 | -0.6 | 112.5 | ||||
| 2112 | V | 30.7 | Very low | 28.8 | Very low | 121.8 Ų | 121.8 | 145.7 Ų | 145.7 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -148.9 | 131.9 | 142.9 | 176.8 | 0 | 0 | 0 | 0 | 110 | R2110 E2114 | R2110-V2112 PolarHBondContact O-N 2.99Å; V2112-E2114 HydrophobicContact CG1-CB 4.25Å; V2112-E2114 HydrophobicContact CG1-CG 3.84Å; V2112-E2114 WeakPolarHBondContact CG1-OE1 3.16Å; V2112-E2114 PolarHBondContact O-N 3.15Å | ||
| 2113 | T | 29 | Very low | 28.6 | Very low | 114.8 Ų | 114.8 | 149.6 Ų | 149.6 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | -109 | 115.5 | 179.6 | 38.9 | 0 | 0 | 0 | 0 | 111 | S2115 | T2113-S2115 PolarHBondContact O-N 2.92Š| ||
| 2114 | E | 28.8 | Very low | 28.8 | Very low | 177.2 Ų | 177.2 | 154.7 Ų | 154.7 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | 11.6 | 128.2 | 141.3 | -72.5 | 175.5 | 179.2 | 0 | 0 | 115.4 | V2112 N2116 | V2112-E2114 HydrophobicContact CG1-CB 4.25Å; V2112-E2114 HydrophobicContact CG1-CG 3.84Å; V2112-E2114 WeakPolarHBondContact CG1-OE1 3.16Å; V2112-E2114 PolarHBondContact O-N 3.15Å; E2114-N2116 PolarHBondContact O-N 3.36Å | ||
| 2115 | S | 29.1 | Very low | 29 | Very low | 106 Ų | 106 | 156.9 Ų | 156.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 137.9 | 161.2 | 36.1 | 0 | 0 | 0 | 0 | 113.6 | T2113 S2117 | T2113-S2115 PolarHBondContact O-N 2.92Å; S2115-S2117 VanDerWaalsContact C-N 3.33Å; S2115-S2117 PolarHBondContact O-N 3.17Å; S2115-S2117 VanDerWaalsContact O-N 3.08Å; S2115-S2117 PolarHBondContact O-OG 3.28Å | ||
| 2116 | N | 28.1 | Very low | 28.9 | Very low | 158.2 Ų | 158.2 | 157.4 Ų | 157.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -19.3 | 117.3 | 159.6 | -64.5 | -22.6 | 0 | 0 | 0 | 114.7 | E2114 | E2114-N2116 PolarHBondContact O-N 3.36Š| ||
| 2117 | S | 27.5 | Very low | 29.4 | Very low | 106.6 Ų | 106.6 | 159.3 Ų | 159.3 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | -150.5 | 94.9 | 115 | 52.6 | 0 | 0 | 0 | 0 | 115 | S2115 S2119 | S2115-S2117 VanDerWaalsContact C-N 3.33Å; S2115-S2117 PolarHBondContact O-N 3.17Å; S2115-S2117 VanDerWaalsContact O-N 3.08Å; S2115-S2117 PolarHBondContact O-OG 3.28Å; S2117-S2119 PolarHBondContact O-N 3.16Å | |||
| 2118 | S | 27.9 | Very low | 29.5 | Very low | 96.2 Ų | 96.2 | 162 Ų | 162 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | trans | -52.7 | 129 | 151.5 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | F2120 | S2118-F2120 WeakPolarHBondContact O-CD2 3.15Å; S2118-F2120 PolarHBondContact O-N 2.84Å | ||
| 2119 | S | 29.3 | Very low | 29.9 | Very low | 106.6 Ų | 106.6 | 161.8 Ų | 161.8 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -112.5 | 115.1 | 172.6 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | S2117 C2121 | S2117-S2119 PolarHBondContact O-N 3.16Å; S2119-C2121 PolarHBondContact O-N 2.91Å | ||
| 2120 | F | 28.4 | Very low | 30.1 | Very low | 183.6 Ų | 183.6 | 159.9 Ų | 159.9 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -35.1 | 117.6 | 147 | -75 | -85.6 | 0 | 0 | 0 | 114.1 | S2118 K2122 | S2118-F2120 WeakPolarHBondContact O-CD2 3.15Å; S2118-F2120 PolarHBondContact O-N 2.84Å; F2120-K2122 HydrophobicContact CB-CG 4.46Å; F2120-K2122 PolarHBondContact O-N 3.02Å; F2120-K2122 VanDerWaalsContact O-N 3.1Å | ||
| 2121 | C | 29.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 156 Ų | 156 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -108.9 | 114.9 | -175.9 | -100.8 | 0 | 0 | 0 | 0 | 110.9 | S2119 R2123 | S2119-C2121 PolarHBondContact O-N 2.91Å; C2121-R2123 VanDerWaalsContact C-N 3.27Å; C2121-R2123 PolarHBondContact O-N 3.26Å; C2121-R2123 VanDerWaalsContact O-N 3.14Å | ||
| 2122 | K | 29.3 | Very low | 30.9 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -33.4 | 113.5 | 165.8 | -72.7 | 173.8 | 177.2 | 175.1 | 0 | 114.7 | F2120 R2124 | F2120-K2122 HydrophobicContact CB-CG 4.46Å; F2120-K2122 PolarHBondContact O-N 3.02Å; F2120-K2122 VanDerWaalsContact O-N 3.1Å; K2122-R2124 PolarHBondContact O-N 3.29Å; K2122-R2124 VanDerWaalsContact O-N 3.09Å | ||
| 2123 | R | 29.7 | Very low | 31 | Very low | 236.6 Ų | 236.6 | 150.3 Ų | 150.3 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 110.3 | 155.5 | -149.7 | 178.3 | -95.2 | -167.7 | -2.3 | 112.6 | C2121 | C2121-R2123 VanDerWaalsContact C-N 3.27Å; C2121-R2123 PolarHBondContact O-N 3.26Å; C2121-R2123 VanDerWaalsContact O-N 3.14Å | ||
| 2124 | R | 30.1 | Very low | 31.6 | Very low | 216.2 Ų | 216.2 | 150.4 Ų | 150.4 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 29.7 | 106 | 160.3 | -157 | -177 | -166.9 | -158.8 | 4.2 | 116.3 | K2122 | K2122-R2124 PolarHBondContact O-N 3.29Å; K2122-R2124 VanDerWaalsContact O-N 3.09Å | ||
| 2125 | R | 33.4 | Very low | 31.8 | Very low | 232 Ų | 232 | 150 Ų | 150 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -69.3 | 136.1 | 143 | -87.9 | -175.8 | 174.1 | 130.8 | -1 | 112.6 | ||||
| 2126 | T | 30.3 | Very low | 32.3 | Very low | 125.4 Ų | 125.4 | 149.9 Ų | 149.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -48.7 | 132.8 | 159.6 | -49.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2127 | I | 36.1 | Very low | 32.7 | Very low | 149.8 Ų | 149.8 | 150.5 Ų | 150.5 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | trans | -142 | 144.1 | 159.8 | -67.9 | 169.9 | 0 | 0 | 0 | 110.6 | ||||
| 2128 | E | 31.9 | Very low | 33.2 | Very low | 176.4 Ų | 176.4 | 151.9 Ų | 151.9 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -77.3 | 164.6 | -178.6 | -57.8 | -165.1 | 134.2 | 0 | 0 | 113 | ||||
| 2129 | P | 35.9 | Very low | 33.8 | Very low | 111.2 Ų | 111.2 | 154.7 Ų | 154.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -104.9 | 140.1 | -164.7 | 32.8 | -24.6 | 0 | 0 | 0 | 114.2 | ||||
| 2130 | E | 33 | Very low | 34 | Very low | 182.2 Ų | 182.2 | 155 Ų | 155 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 137.7 | 161.5 | -70.4 | -163.8 | 138.4 | 0 | 0 | 115.5 | S2132 | E2130-S2132 PolarHBondContact O-N 3.45Š|
| 2131 | I | 36.7 | Very low | 34.3 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -68.3 | 123.4 | 159.8 | -61.3 | 173.6 | 0 | 0 | 0 | 115.8 | ||||
| 2132 | S | 33.8 | Very low | 34.5 | Very low | 98.8 Ų | 98.8 | 156.4 Ų | 156.4 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 16 | 125.8 | 165.8 | 50.3 | 0 | 0 | 0 | 0 | 119.4 | E2130 | E2130-S2132 PolarHBondContact O-N 3.45Š| ||
| 2133 | S | 34.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | 94.8 | 156 | 122.4 | -95.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 2134 | P | 39.8 | Very low | 34.8 | Very low | 116.2 Ų | 116.2 | 149.6 Ų | 149.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | -126 | 174.8 | -63.4 | 39.3 | -27.4 | 0 | 0 | 0 | 117.1 | |||||
| 2135 | E | 33.1 | Very low | 35 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -20.2 | 168.2 | 161.6 | -96.8 | -156.2 | 120.7 | 0 | 0 | 119 | K2137 | E2135-K2137 WeakPolarHBondContact OE1-CA 3.39Å; E2135-K2137 PolarHBondContact OE1-N 2.99Å | ||
| 2136 | P | 40.3 | Very low | 34.9 | Very low | 104.6 Ų | 104.6 | 139.6 Ų | 139.6 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | cis | -138 | 173.3 | 44.5 | 39.7 | -24.3 | 0 | 0 | 0 | 116.7 | ||||
| 2137 | K | 37.3 | Very low | 35 | Very low | 169.2 Ų | 169.2 | 140.8 Ų | 140.8 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 154.2 | 138.8 | 146.1 | -84.8 | 175.3 | 177.9 | -178 | 0 | 119.2 | E2135 | E2135-K2137 WeakPolarHBondContact OE1-CA 3.39Å; E2135-K2137 PolarHBondContact OE1-N 2.99Å | ||
| 2138 | D | 37.5 | Very low | 34.8 | Very low | 136.6 Ų | 136.6 | 138.1 Ų | 138.1 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | 32.8 | 138.2 | 149.3 | -44.7 | -40.1 | 0 | 0 | 0 | 118.7 | ||||
| 2139 | D | 40.7 | Very low | 34.7 | Very low | 155.2 Ų | 155.2 | 140 Ų | 140 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | -163.8 | 165.9 | 75.1 | -127.7 | -33.1 | 0 | 0 | 0 | 112.3 | |||||
| 2140 | T | 33 | Very low | 34.6 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | -106.4 | 150.9 | -157.8 | -61 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2141 | I | 35.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | 163.5 | 126.8 | 144.9 | -69.7 | 170 | 0 | 0 | 0 | 113.2 | ||||
| 2142 | Q | 32.3 | Very low | 34.2 | Very low | 169.6 Ų | 169.6 | 136.9 Ų | 136.9 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | -55.5 | 149 | 152.8 | -62.4 | 176.9 | -37.8 | 0 | 0 | 115.9 | ||||
| 2143 | I | 35.1 | Very low | 34.4 | Very low | 156.2 Ų | 156.2 | 137.5 Ų | 137.5 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | -167.9 | 141.1 | 118.8 | -85 | 164.4 | 0 | 0 | 0 | 110.6 | |||||
| 2144 | D | 30.8 | Very low | 34.2 | Very low | 130.2 Ų | 130.2 | 137.5 Ų | 137.5 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | trans | -113.9 | 169.4 | 139.7 | -136.1 | -32.8 | 0 | 0 | 0 | 113.5 | H2146 | D2144-H2146 IonicContact OD1-CD2 2.69Š| ||
| 2145 | S | 32.7 | Very low | 33.9 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | trans | -132 | 140 | 150.1 | -22.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 2146 | H | 32.6 | Very low | 33.7 | Very low | 150.4 Ų | 150.4 | 135.9 Ų | 135.9 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | 85.7 | 133.9 | 107.2 | -66.8 | -61.7 | 0 | 0 | 0 | 118.8 | D2144 | D2144-H2146 IonicContact OD1-CD2 2.69Š| |||
| 2147 | I | 32.8 | Very low | 33.3 | Very low | 151.6 Ų | 151.6 | 137.6 Ų | 137.6 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | 152.7 | 126.6 | 115 | -74.2 | 164 | 0 | 0 | 0 | 112.8 | Y2149 | I2147-Y2149 HydrophobicContact CG2-CD2 3.48Å; I2147-Y2149 VanDerWaalsContact CG2-CD2 3.48Å; I2147-Y2149 HydrophobicContact CG2-CE2 3.69Å; I2147-Y2149 HydrophobicContact CG2-CG 4.45Å | |||
| 2148 | S | 30.8 | Very low | 33.1 | Very low | 92.4 Ų | 92.4 | 138.4 Ų | 138.4 | 65% | 0.646 | 76% | 0.757 | S | S | * | * | 59 | 137.2 | 115.6 | -50.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2149 | Y | 31 | Very low | 32.8 | Very low | 216.8 Ų | 216.8 | 139.5 Ų | 139.5 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | -118.1 | 157.5 | 118.4 | -79.6 | -65.5 | 0 | 0 | 0 | 112.7 | I2147 | I2147-Y2149 HydrophobicContact CG2-CD2 3.48Å; I2147-Y2149 VanDerWaalsContact CG2-CD2 3.48Å; I2147-Y2149 HydrophobicContact CG2-CE2 3.69Å; I2147-Y2149 HydrophobicContact CG2-CG 4.45Å | |||
| 2150 | P | 33.7 | Very low | 32.5 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -126.2 | -175.2 | 143.7 | 41.4 | -28 | 0 | 0 | 0 | 115.9 | ||||
| 2151 | L | 30.7 | Very low | 32.4 | Very low | 161.2 Ų | 161.2 | 139.6 Ų | 139.6 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | trans | -79.1 | 151.7 | 171.6 | -73.1 | 159.9 | 0 | 0 | 0 | 115.1 | ||||
| 2152 | S | 30.4 | Very low | 32.1 | Very low | 109.2 Ų | 109.2 | 137.1 Ų | 137.1 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 161.7 | 156.9 | 137.2 | -94 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2153 | P | 36.9 | Very low | 31.9 | Very low | 112.4 Ų | 112.4 | 136 Ų | 136 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | -127.8 | 169.3 | -97.2 | 38 | -22.4 | 0 | 0 | 0 | 115.5 | |||||
| 2154 | S | 31 | Very low | 31.8 | Very low | 116.6 Ų | 116.6 | 135 Ų | 135 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | trans | 107.4 | 142.8 | 147.5 | -100.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 2155 | A | 32.5 | Very low | 31.8 | Very low | 76.4 Ų | 76.4 | 136.1 Ų | 136.1 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | 159.1 | 145.6 | 93.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2156 | Q | 30.8 | Very low | 31.8 | Very low | 173.4 Ų | 173.4 | 137.6 Ų | 137.6 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | 69.4 | 139 | 141.9 | -67.1 | 165.5 | -8.8 | 0 | 0 | 116.4 | ||||
| 2157 | D | 30.6 | Very low | 31.7 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | cis | -175.1 | 170.1 | 0.4 | -91.7 | -33.5 | 0 | 0 | 0 | 111.3 | ||||
| 2158 | E | 34.6 | Very low | 31.7 | Very low | 186.8 Ų | 186.8 | 134.4 Ų | 134.4 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | trans | 99.7 | 128.8 | 146.3 | -62.8 | -122.4 | 119.8 | 0 | 0 | 117.9 | ||||
| 2159 | L | 30.6 | Very low | 31.7 | Very low | 158.2 Ų | 158.2 | 136 Ų | 136 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | -92.4 | -178.9 | 163.8 | -74.6 | 167.2 | 0 | 0 | 0 | 109.4 | ||||
| 2160 | P | 34.9 | Very low | 31.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -137.6 | -179.5 | 11.4 | 35.4 | -15.3 | 0 | 0 | 0 | 116 | ||||
| 2161 | L | 29 | Very low | 31.6 | Very low | 159.2 Ų | 159.2 | 130.5 Ų | 130.5 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 60.9 | 150.9 | 139.3 | -62.2 | 164.9 | 0 | 0 | 0 | 117.2 | ||||
| 2162 | S | 29.6 | Very low | 31.7 | Very low | 104.8 Ų | 104.8 | 130.2 Ų | 130.2 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | 134.1 | 133.9 | 116.5 | 74 | 0 | 0 | 0 | 0 | 116 | |||||
| 2163 | L | 29.6 | Very low | 31.7 | Very low | 147.2 Ų | 147.2 | 130.7 Ų | 130.7 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | -160.6 | 146.1 | 124.2 | -145 | 82.4 | 0 | 0 | 0 | 111.7 | |||||
| 2164 | L | 32.4 | Very low | 31.4 | Very low | 134.6 Ų | 134.6 | 130.4 Ų | 130.4 | 71% | 0.705 | 75% | 0.752 | S | S | * | * | trans | 82.1 | 134.1 | 160 | -87 | 115.2 | 0 | 0 | 0 | 115.7 | ||||
| 2165 | E | 30.2 | Very low | 31.4 | Very low | 153.8 Ų | 153.8 | 129.7 Ų | 129.7 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | -179.3 | 142.9 | 52.1 | -115.9 | 160.5 | 148 | 0 | 0 | 113.6 | S2359 R2360 | E2165-S2359 WeakPolarHBondContact CG-O 3.41Å; E2165-S2359 PolarHBondContact OE1-N 3.41Å; E2165-S2359 PolarHBondContact OE2-N 3.42Å; E2165-R2360 CarbonylContact C-O 3.42Å; E2165-R2360 WeakPolarHBondContact CA-O 3.32Å; E2165-R2360 WeakPolarHBondContact CG-O 3.19Å | |||
| 2166 | T | 33 | Very low | 31.4 | Very low | 118.2 Ų | 118.2 | 132.3 Ų | 132.3 | 73% | 0.725 | 76% | 0.755 | S | S | * | * | trans | -158.9 | 146.3 | 167.6 | 47 | 0 | 0 | 0 | 0 | 113.3 | R2360 S2361 T2362 | T2166-R2360 PolarHBondContact N-O 3.02Å; T2166-R2360 CarbonylContact O-C 3.56Å; T2166-R2360 VanDerWaalsContact O-O 3.08Å; T2166-R2360 PolarHBondContact OG1-O 3.13Å; T2166-S2361 PolarHBondContact OG1-N 2.96Å; T2166-S2361 PolarHBondContact OG1-O 3.1Å; T2166-T2362 PolarHBondContact OG1-N 2.99Å | ||
| 2167 | D | 30.6 | Very low | 31.4 | Very low | 151.4 Ų | 151.4 | 128.3 Ų | 128.3 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -132.7 | 153.9 | 131.3 | -100 | -50.9 | 0 | 0 | 0 | 112.8 | T2169 | D2167-T2169 PolarHBondContact OD1-N 3.47Å; D2167-T2169 VanDerWaalsContact OD1-N 3.1Å | ||
| 2168 | A | 32.8 | Very low | 31.4 | Very low | 83.8 Ų | 83.8 | 127.7 Ų | 127.7 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | -176.9 | 117.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2169 | T | 30.4 | Very low | 31.1 | Very low | 126.2 Ų | 126.2 | 124.8 Ų | 124.8 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | 40.5 | 153.5 | 141.5 | 62.8 | 0 | 0 | 0 | 0 | 118.3 | D2167 | D2167-T2169 PolarHBondContact OD1-N 3.47Å; D2167-T2169 VanDerWaalsContact OD1-N 3.1Å | ||
| 2170 | V | 32.1 | Very low | 31 | Very low | 123.8 Ų | 123.8 | 125.2 Ų | 125.2 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | trans | 125.5 | 137.7 | 160.7 | 169.8 | 0 | 0 | 0 | 0 | 112.7 | S2734 S2735 | V2170-S2734 WeakPolarHBondContact CG1-OG 3.4Å; V2170-S2735 WeakPolarHBondContact CG1-OG 3.19Å | ||
| 2171 | S | 31.6 | Very low | 30.8 | Very low | 91.2 Ų | 91.2 | 122.9 Ų | 122.9 | 64% | 0.638 | 75% | 0.745 | S | S | * | * | trans | -174 | 164.4 | 150.6 | -72.3 | 0 | 0 | 0 | 0 | 114.7 | S2734 S2735 | S2171-S2734 PolarHBondContact OG-O 2.76Å; S2171-S2735 PolarHBondContact OG-N 2.83Å; S2171-S2735 PolarHBondContact OG-OG 3.13Å | ||
| 2172 | Q | 31.3 | Very low | 30.8 | Very low | 155.8 Ų | 155.8 | 120.6 Ų | 120.6 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | 148.4 | 142.7 | 137.2 | -79.8 | -179.1 | 44.3 | 0 | 0 | 113.1 | S2732 S2733 | Q2172-S2732 PolarHBondContact NE2-O 2.75Å; Q2172-S2732 PolarHBondContact OE1-O 3.04Å; Q2172-S2733 PolarHBondContact NE2-OG 3.09Å; Q2172-S2733 PolarHBondContact OE1-O 3.07Å | ||
| 2173 | T | 30.8 | Very low | 30.8 | Very low | 119.4 Ų | 119.4 | 121.5 Ų | 121.5 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | 142.5 | 141.6 | 93.5 | 40.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 2174 | S | 30.6 | Very low | 30.9 | Very low | 106.4 Ų | 106.4 | 120 Ų | 120 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | 70 | 141.9 | 120 | -41.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 2175 | S | 32.3 | Very low | 30.7 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | 152.1 | 145.5 | 44.9 | -73.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2176 | T | 32.5 | Very low | 30.8 | Very low | 131.8 Ų | 131.8 | 120.6 Ų | 120.6 | 81% | 0.809 | 75% | 0.749 | S | S | * | * | 107 | 138.7 | 102 | 23.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 2177 | A | 29.6 | Very low | 30.6 | Very low | 87.8 Ų | 87.8 | 122.1 Ų | 122.1 | 73% | 0.726 | 75% | 0.752 | S | S | * | * | trans | 36.3 | 144.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2178 | V | 31 | Very low | 30.7 | Very low | 130.2 Ų | 130.2 | 122 Ų | 122 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | cis | 167.9 | 138.7 | 39 | 178.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2179 | T | 28.4 | Very low | 30.6 | Very low | 124.6 Ų | 124.6 | 128.6 Ų | 128.6 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 16.3 | 125.5 | 152 | -40.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2180 | I | 29.4 | Very low | 30.6 | Very low | 166.4 Ų | 166.4 | 127.7 Ų | 127.7 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | 156.3 | 131.4 | 143.8 | -54.6 | 173.3 | 0 | 0 | 0 | 112.1 | ||||
| 2181 | G | 29 | Very low | 30.5 | Very low | 63.2 Ų | 63.2 | 129.2 Ų | 129.2 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | cis | 136.7 | 122.5 | 45.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 2182 | S | 29.4 | Very low | 30.4 | Very low | 110.8 Ų | 110.8 | 132.2 Ų | 132.2 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 134.1 | 128.7 | 149.3 | 113.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2183 | T | 28.8 | Very low | 30.3 | Very low | 124.4 Ų | 124.4 | 129.3 Ų | 129.3 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | -170.7 | 141.5 | 156.9 | 34.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 2184 | T | 32.6 | Very low | 30.2 | Very low | 114.8 Ų | 114.8 | 129 Ų | 129 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | 57.2 | 123 | 133.4 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2185 | D | 28.3 | Very low | 30.1 | Very low | 143.8 Ų | 143.8 | 131 Ų | 131 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -85.7 | 145.4 | 141.5 | -78.8 | -53.1 | 0 | 0 | 0 | 112.6 | ||||
| 2186 | L | 32.3 | Very low | 30 | Very low | 157.2 Ų | 157.2 | 134.1 Ų | 134.1 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | 160.1 | 108.5 | 122.5 | -86.9 | 170.1 | 0 | 0 | 0 | 113.8 | I2188 | L2186-I2188 PolarHBondContact O-N 2.88Å; L2186-I2188 VanDerWaalsContact O-N 3.11Å | |||
| 2187 | D | 29.5 | Very low | 29.7 | Very low | 149.4 Ų | 149.4 | 135.1 Ų | 135.1 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -71.7 | 148 | 162.9 | -88.8 | -56.5 | 0 | 0 | 0 | 111.7 | R2189 | D2187-R2189 PolarHBondContact O-N 3.24Š| ||
| 2188 | I | 32 | Very low | 29.8 | Very low | 149.8 Ų | 149.8 | 136.7 Ų | 136.7 | 77% | 0.768 | 77% | 0.774 | S | S | * | * | trans | -159.6 | 125.9 | 134.2 | -87.7 | 157.9 | 0 | 0 | 0 | 111.2 | L2186 S2190 | L2186-I2188 PolarHBondContact O-N 2.88Å; L2186-I2188 VanDerWaalsContact O-N 3.11Å; I2188-S2190 WeakPolarHBondContact CG2-O 3.4Å | ||
| 2189 | R | 30 | Very low | 29.6 | Very low | 223.4 Ų | 223.4 | 138 Ų | 138 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -89.7 | 150.7 | 171.5 | -72.8 | 155.6 | 121 | 170.6 | 0.3 | 112.2 | D2187 E2191 | D2187-R2189 PolarHBondContact O-N 3.24Å; R2189-E2191 IonicContact CZ-OE1 3.14Å; R2189-E2191 IonicContact NE-OE1 2.8Å; R2189-E2191 PolarHBondContact NE-OE1 3.35Å; R2189-E2191 IonicContact NH2-OE1 2.67Å; R2189-E2191 PolarHBondContact NH2-OE1 2.99Å; R2189-E2191 IonicContact NH2-OE2 3.63Å | ||
| 2190 | S | 30.9 | Very low | 29.6 | Very low | 106.4 Ų | 106.4 | 138.8 Ų | 138.8 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | 171.1 | 139.3 | 125.9 | -169 | 0 | 0 | 0 | 0 | 113.4 | I2188 L2192 | I2188-S2190 WeakPolarHBondContact CG2-O 3.4Å; S2190-L2192 PolarHBondContact O-N 3.01Å | |||
| 2191 | E | 30.5 | Very low | 29.6 | Very low | 155.2 Ų | 155.2 | 138.2 Ų | 138.2 | 73% | 0.725 | 76% | 0.763 | S | S | * | * | trans | -132.7 | 138.2 | 170.5 | -83.6 | -165.2 | 177.2 | 0 | 0 | 110.2 | R2189 | R2189-E2191 IonicContact CZ-OE1 3.14Å; R2189-E2191 IonicContact NE-OE1 2.8Å; R2189-E2191 PolarHBondContact NE-OE1 3.35Å; R2189-E2191 IonicContact NH2-OE1 2.67Å; R2189-E2191 PolarHBondContact NH2-OE1 2.99Å; R2189-E2191 IonicContact NH2-OE2 3.63Å | ||
| 2192 | L | 29.9 | Very low | 29.7 | Very low | 155.4 Ų | 155.4 | 140.4 Ų | 140.4 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | trans | -152 | 105.8 | 150 | -94.9 | 163.5 | 0 | 0 | 0 | 111 | S2190 S2194 | S2190-L2192 PolarHBondContact O-N 3.01Å; L2192-S2194 PolarHBondContact O-N 3.4Å | ||
| 2193 | S | 28.3 | Very low | 29.6 | Very low | 94.4 Ų | 94.4 | 141.1 Ų | 141.1 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | 40.8 | 119.4 | 137.2 | -54.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2194 | S | 29.3 | Very low | 29.7 | Very low | 111.6 Ų | 111.6 | 140.4 Ų | 140.4 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -154.5 | 100 | 130.4 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | L2192 L2196 | L2192-S2194 PolarHBondContact O-N 3.4Å; S2194-L2196 PolarHBondContact O-N 3.49Å | ||
| 2195 | N | 27 | Very low | 29.3 | Very low | 149.4 Ų | 149.4 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -14.4 | 114.3 | 155.4 | -65.6 | -22.2 | 0 | 0 | 0 | 116.5 | N2197 | N2195-N2197 PolarHBondContact O-N 3.27Š| ||
| 2196 | L | 30.5 | Very low | 29.4 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -129 | 102.1 | 145.8 | -104 | 170.7 | 0 | 0 | 0 | 110.5 | S2194 V2198 | S2194-L2196 PolarHBondContact O-N 3.49Å; L2196-V2198 VanDerWaalsContact C-N 3.31Å; L2196-V2198 HydrophobicContact CD2-CG2 3.69Å; L2196-V2198 PolarHBondContact O-N 2.87Å | ||
| 2197 | N | 27.1 | Very low | 29.1 | Very low | 153.4 Ų | 153.4 | 141.1 Ų | 141.1 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | -95.9 | 123.1 | 170.6 | -117 | 18.3 | 0 | 0 | 0 | 109 | N2195 | N2195-N2197 PolarHBondContact O-N 3.27Š| ||
| 2198 | V | 30.8 | Very low | 29.1 | Very low | 121.2 Ų | 121.2 | 140.1 Ų | 140.1 | 74% | 0.735 | 77% | 0.766 | S | S | * | * | trans | -129.4 | 107.9 | 162.3 | 171.8 | 0 | 0 | 0 | 0 | 109.5 | L2196 L2200 | L2196-V2198 VanDerWaalsContact C-N 3.31Å; L2196-V2198 HydrophobicContact CD2-CG2 3.69Å; L2196-V2198 PolarHBondContact O-N 2.87Å; V2198-L2200 HydrophobicContact CG1-CD1 3.99Å; V2198-L2200 HydrophobicContact CG1-CG 4.1Å; V2198-L2200 PolarHBondContact O-N 3.22Å; V2198-L2200 VanDerWaalsContact O-N 3.08Å | ||
| 2199 | E | 26.5 | Very low | 28.9 | Very low | 156.2 Ų | 156.2 | 139.6 Ų | 139.6 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -88.2 | 142.1 | 174 | -172.6 | -178.8 | -178.7 | 0 | 0 | 110.4 | ||||
| 2200 | L | 29.9 | Very low | 28.9 | Very low | 142.6 Ų | 142.6 | 134.3 Ų | 134.3 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -163.8 | 128.3 | 152.7 | -91.1 | 172.6 | 0 | 0 | 0 | 113.5 | V2198 | V2198-L2200 HydrophobicContact CG1-CD1 3.99Å; V2198-L2200 HydrophobicContact CG1-CG 4.1Å; V2198-L2200 PolarHBondContact O-N 3.22Å; V2198-L2200 VanDerWaalsContact O-N 3.08Å | ||
| 2201 | H | 28.1 | Very low | 28.8 | Very low | 153.4 Ų | 153.4 | 134.6 Ų | 134.6 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | -27.9 | 148.8 | 162.2 | -83.2 | -78.4 | 0 | 0 | 0 | 115.6 | T2203 | H2201-T2203 PolarHBondContact O-N 2.94Š| ||
| 2202 | P | 31.4 | Very low | 28.8 | Very low | 110.6 Ų | 110.6 | 132.2 Ų | 132.2 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -104 | 170.2 | 178.1 | 37.4 | -28.5 | 0 | 0 | 0 | 112.8 | ||||
| 2203 | T | 28.3 | Very low | 28.8 | Very low | 124.8 Ų | 124.8 | 129.9 Ų | 129.9 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | 113.7 | 107.6 | 166.8 | 56.8 | 0 | 0 | 0 | 0 | 117.5 | H2201 | H2201-T2203 PolarHBondContact O-N 2.94Š| ||
| 2204 | S | 29.5 | Very low | 28.8 | Very low | 109.6 Ų | 109.6 | 133.9 Ų | 133.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | 169.2 | 118.5 | 136.8 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | Y2206 | S2204-Y2206 PolarHBondContact O-N 3.16Š| ||
| 2205 | S | 25.9 | Very low | 28.8 | Very low | 106.6 Ų | 106.6 | 135.9 Ų | 135.9 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | -66.7 | 135.4 | 155.8 | 56 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2206 | Y | 28.8 | Very low | 28.8 | Very low | 226.8 Ų | 226.8 | 134.2 Ų | 134.2 | 89% | 0.889 | 76% | 0.758 | S | S | * | * | trans | -147.7 | 112.3 | 156.5 | -94.9 | -76.5 | 0 | 0 | 0 | 112.8 | S2204 T2208 | S2204-Y2206 PolarHBondContact O-N 3.16Å; Y2206-T2208 PolarHBondContact O-N 2.66Å | ||
| 2207 | S | 26 | Very low | 28.6 | Very low | 97.2 Ų | 97.2 | 130.7 Ų | 130.7 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | trans | -99.9 | 136.1 | 164.1 | -95.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2208 | T | 29.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -135.2 | 111 | 161.2 | -38.3 | 0 | 0 | 0 | 0 | 110.9 | Y2206 V2210 | Y2206-T2208 PolarHBondContact O-N 2.66Å; T2208-V2210 HydrophobicContact CG2-CG2 4.17Å | ||
| 2209 | N | 27.6 | Very low | 28.4 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -86 | 143.5 | 158.5 | -62.8 | -41 | 0 | 0 | 0 | 111.3 | ||||
| 2210 | V | 29.9 | Very low | 28.5 | Very low | 113.2 Ų | 113.2 | 130 Ų | 130 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | -149.5 | 123.9 | 148.5 | 152.7 | 0 | 0 | 0 | 0 | 107.1 | D2090 T2208 P2212 | D2090-V2210 CarbonylContact C-O 3.43Å; D2090-V2210 PolarHBondContact N-O 2.98Å; D2090-V2210 PolarHBondContact O-N 3.13Å; D2090-V2210 VanDerWaalsContact O-N 3.15Å; T2208-V2210 HydrophobicContact CG2-CG2 4.17Å; V2210-P2212 WeakPolarHBondContact O-CD 3.37Å | ||
| 2211 | V | 29.9 | Very low | 28.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | -112.4 | 116.9 | 147 | 148.1 | 0 | 0 | 0 | 0 | 112.1 | P2089 | P2089-V2211 VanDerWaalsContact CB-O 3.29Å; P2089-V2211 WeakPolarHBondContact CB-O 3.26Å | ||
| 2212 | P | 30.3 | Very low | 28.3 | Very low | 104.2 Ų | 104.2 | 126.8 Ų | 126.8 | 68% | 0.677 | 75% | 0.753 | S | S | * | * | trans | -94.1 | 152.6 | 148.4 | 26.8 | -18.1 | 0 | 0 | 0 | 113.2 | P2089 D2091 V2210 | P2089-P2212 HydrophobicContact CB-CB 4.48Å; P2089-P2212 HydrophobicContact CB-CG 4.11Å; P2089-P2212 VanDerWaalsContact CB-N 3.32Å; D2091-P2212 HydrophobicContact CB-CG 4.49Å; V2210-P2212 WeakPolarHBondContact O-CD 3.37Å | ||
| 2213 | S | 30.5 | Very low | 28.2 | Very low | 108.2 Ų | 108.2 | 129.6 Ų | 129.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -174.2 | 114.5 | 146.7 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | P2089 | P2089-S2213 VanDerWaalsContact CG-OG 3.23Å; P2089-S2213 WeakPolarHBondContact CG-OG 3.33Å | ||
| 2214 | E | 27.2 | Very low | 28.1 | Very low | 177.6 Ų | 177.6 | 132 Ų | 132 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | -86.9 | 162.2 | 160.6 | -60.8 | -174.3 | 125.6 | 0 | 0 | 111.8 | ||||
| 2215 | L | 28.8 | Very low | 28 | Very low | 153.2 Ų | 153.2 | 137.3 Ų | 137.3 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 150.5 | 136.5 | 148.3 | -83.8 | 161.8 | 0 | 0 | 0 | 110.9 | ||||
| 2216 | C | 27.6 | Very low | 28.1 | Very low | 115.2 Ų | 115.2 | 140.5 Ų | 140.5 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | cis | 176.2 | 146.5 | 33.1 | -125.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2217 | A | 26.5 | Very low | 28.1 | Very low | 92.6 Ų | 92.6 | 137.5 Ų | 137.5 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -116.8 | 147 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2218 | S | 27.8 | Very low | 28.4 | Very low | 110.2 Ų | 110.2 | 139.2 Ų | 139.2 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | -154.8 | 115.5 | 145 | -131.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2219 | E | 25.8 | Very low | 28.4 | Very low | 176.6 Ų | 176.6 | 135.3 Ų | 135.3 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -2.1 | 133.7 | 131.9 | -76.2 | -179.9 | 125.4 | 0 | 0 | 115.3 | ||||
| 2220 | V | 29.4 | Very low | 28.5 | Very low | 128.6 Ų | 128.6 | 137.1 Ų | 137.1 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | -172.7 | 114.9 | 124 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | N2222 | V2220-N2222 PolarHBondContact O-N 2.74Š| |||
| 2221 | S | 26.5 | Very low | 28.5 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -83.1 | 127.6 | 163.1 | 70.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2222 | N | 27.2 | Very low | 28.6 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | 110 | 124.4 | 131.2 | -85.4 | -20.7 | 0 | 0 | 0 | 117.3 | V2220 | V2220-N2222 PolarHBondContact O-N 2.74Š| ||
| 2223 | H | 28.5 | Very low | 28.7 | Very low | 169.2 Ų | 169.2 | 142 Ų | 142 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | 95.7 | 130.7 | 148.9 | -74.8 | 16.8 | 0 | 0 | 0 | 114.2 | R2225 | H2223-R2225 PolarHBondContact O-N 3.03Š| ||
| 2224 | Q | 26.4 | Very low | 28.7 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | 174.3 | 110 | 47.2 | -172.5 | 170.6 | 8.2 | 0 | 0 | 111.6 | ||||
| 2225 | R | 26.7 | Very low | 28.9 | Very low | 220.4 Ų | 220.4 | 142.1 Ų | 142.1 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -141.6 | 115.5 | 160.2 | -165.3 | -177.5 | -167.8 | -179 | 3.7 | 112.9 | H2223 E2227 | H2223-R2225 PolarHBondContact O-N 3.03Å; R2225-E2227 HydrophobicContact CG-CB 4.28Å; R2225-E2227 IonicContact CZ-OE2 3.4Å; R2225-E2227 IonicContact NE-OE2 2.69Å; R2225-E2227 PolarHBondContact NE-OE2 2.81Å; R2225-E2227 IonicContact NH2-OE2 2.68Å; R2225-E2227 PolarHBondContact NH2-OE2 3.04Å; R2225-E2227 PolarHBondContact O-N 3.14Å | ||
| 2226 | E | 28.5 | Very low | 29 | Very low | 174.4 Ų | 174.4 | 137.9 Ų | 137.9 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | trans | -105.8 | 122.2 | 163.3 | -90.1 | 177.3 | 145.5 | 0 | 0 | 110.8 | I2228 R2232 | E2226-I2228 HydrophobicContact CB-CG1 4.49Å; E2226-I2228 VanDerWaalsContact CD-CD1 3.45Å; E2226-I2228 HydrophobicContact CG-CD1 3.76Å; E2226-I2228 HydrophobicContact CG-CG1 4.08Å; E2226-R2232 IonicContact OE1-NH1 3.36Å; E2226-R2232 PolarHBondContact OE1-NH1 2.88Å | ||
| 2227 | E | 28.2 | Very low | 29.2 | Very low | 163.2 Ų | 163.2 | 138.9 Ų | 138.9 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | trans | -113.3 | 110.2 | 176.4 | -96.8 | 177.4 | 140.6 | 0 | 0 | 108.8 | R2225 G2229 | R2225-E2227 HydrophobicContact CG-CB 4.28Å; R2225-E2227 IonicContact CZ-OE2 3.4Å; R2225-E2227 IonicContact NE-OE2 2.69Å; R2225-E2227 PolarHBondContact NE-OE2 2.81Å; R2225-E2227 IonicContact NH2-OE2 2.68Å; R2225-E2227 PolarHBondContact NH2-OE2 3.04Å; R2225-E2227 PolarHBondContact O-N 3.14Å; E2227-G2229 VanDerWaalsContact C-N 3.34Å; E2227-G2229 PolarHBondContact O-N 2.66Å | ||
| 2228 | I | 32.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | trans | -136.7 | 117.5 | 159.2 | -57.3 | 171.9 | 0 | 0 | 0 | 107.7 | E2226 F2230 L2233 | E2226-I2228 HydrophobicContact CB-CG1 4.49Å; E2226-I2228 VanDerWaalsContact CD-CD1 3.45Å; E2226-I2228 HydrophobicContact CG-CD1 3.76Å; E2226-I2228 HydrophobicContact CG-CG1 4.08Å; I2228-F2230 HydrophobicContact CG2-CE2 4.19Å; I2228-L2233 HydrophobicContact CG2-CD1 3.71Å; I2228-L2233 HydrophobicContact CG2-CD2 3.94Å; I2228-L2233 HydrophobicContact CG2-CG 3.64Å | ||
| 2229 | G | 30.4 | Very low | 29.6 | Very low | 46.8 Ų | 46.8 | 141.8 Ų | 141.8 | 48% | 0.482 | 73% | 0.73 | S | S | . | * | trans | -153.7 | 93.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | E2227 S2231 R2232 L2233 | E2227-G2229 VanDerWaalsContact C-N 3.34Å; E2227-G2229 PolarHBondContact O-N 2.66Å; G2229-S2231 VanDerWaalsContact C-N 3.28Å; G2229-S2231 PolarHBondContact O-N 3.15Å; G2229-R2232 WeakPolarHBondContact O-CB 3.49Å; G2229-R2232 PolarHBondContact O-N 3.08Å; G2229-L2233 PolarHBondContact O-N 3.11Å | ||
| 2230 | F | 30 | Very low | 29.8 | Very low | 175.8 Ų | 175.8 | 140.5 Ų | 140.5 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | trans | -76.6 | 22.7 | -177.1 | -86.4 | -85.4 | 0 | 0 | 0 | 114.4 | I2228 R2232 L2234 F2665 G2780 H2782 M2954 | I2228-F2230 HydrophobicContact CG2-CE2 4.19Å; F2230-R2232 VanDerWaalsContact C-N 3.29Å; F2230-R2232 PolarHBondContact O-N 3.18Å; F2230-L2234 PolarHBondContact O-N 2.92Å; F2230-F2665 HydrophobicContact CD1-CD2 4.35Å; F2230-F2665 HydrophobicContact CD1-CE2 4.44Å; F2230-F2665 HydrophobicContact CD2-CE2 4.35Å; F2230-F2665 AromaticContact CE1-CD2 3.41Å; F2230-F2665 HydrophobicContact CE1-CD2 3.41Å; F2230-F2665 VanDerWaalsContact CE1-CD2 3.41Å; F2230-F2665 AromaticContact CE1-CE2 3.69Å; F2230-F2665 HydrophobicContact CE1-CE2 3.69Å; F2230-F2665 HydrophobicContact CE1-CG 4.31Å; F2230-F2665 HydrophobicContact CE2-CD2 4.14Å; F2230-F2665 AromaticContact CE2-CE2 3.56Å; F2230-F2665 HydrophobicContact CE2-CE2 3.56Å; F2230-F2665 HydrophobicContact CE2-CZ 4.09Å; F2230-F2665 AromaticContact CZ-CD2 3.28Å; F2230-F2665 HydrophobicContact CZ-CD2 3.28Å; F2230-F2665 AromaticContact CZ-CE2 3.17Å; F2230-F2665 HydrophobicContact CZ-CE2 3.17Å; F2230-F2665 HydrophobicContact CZ-CG 4.07Å; F2230-F2665 AromaticContact CZ-CZ 3.89Å; F2230-F2665 HydrophobicContact CZ-CZ 3.89Å; F2230-G2780 WeakPolarHBondContact CD2-O 3.36Å; F2230-G2780 VanDerWaalsContact CE2-O 3.23Å; F2230-G2780 WeakPolarHBondContact CE2-O 3.39Å; F2230-H2782 HydrophobicContact CE2-CB 3.59Å; F2230-H2782 HydrophobicContact CZ-CB 3.74Å; F2230-M2954 HydrophobicContact CE1-CE 3.49Å; F2230-M2954 VanDerWaalsContact CE1-CE 3.49Å; F2230-M2954 HydrophobicContact CZ-CE 3.42Å; F2230-M2954 VanDerWaalsContact CZ-CE 3.42Å | ||
| 2231 | S | 30 | Very low | 29.8 | Very low | 112.8 Ų | 112.8 | 144.4 Ų | 144.4 | 79% | 0.789 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 26.1 | 175.2 | 14.2 | 0 | 0 | 0 | 0 | 113.7 | G2229 N2235 | G2229-S2231 VanDerWaalsContact C-N 3.28Å; G2229-S2231 PolarHBondContact O-N 3.15Å; S2231-N2235 VanDerWaalsContact O-CB 3.28Å; S2231-N2235 WeakPolarHBondContact O-CB 3.08Å; S2231-N2235 PolarHBondContact O-ND2 2.94Å; S2231-N2235 PolarHBondContact O-OD1 3.14Å |
| 2232 | R | 31.7 | Very low | 29.8 | Very low | 187.6 Ų | 187.6 | 148 Ų | 148 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -128.3 | -7.2 | 178.7 | -141.1 | 172.7 | -173.4 | -174.4 | 1.1 | 114.5 | E2226 G2229 F2230 L2234 N2235 S2236 | E2226-R2232 IonicContact OE1-NH1 3.36Å; E2226-R2232 PolarHBondContact OE1-NH1 2.88Å; G2229-R2232 WeakPolarHBondContact O-CB 3.49Å; G2229-R2232 PolarHBondContact O-N 3.08Å; F2230-R2232 VanDerWaalsContact C-N 3.29Å; F2230-R2232 PolarHBondContact O-N 3.18Å; R2232-L2234 VanDerWaalsContact C-N 3.3Å; R2232-L2234 PolarHBondContact O-N 2.96Å; R2232-L2234 VanDerWaalsContact O-N 3.12Å; R2232-N2235 PolarHBondContact O-N 2.91Å; R2232-S2236 WeakPolarHBondContact CG-OG 3.25Å; R2232-S2236 PolarHBondContact NE-OG 2.72Å; R2232-S2236 VanDerWaalsContact O-CB 3.3Å; R2232-S2236 WeakPolarHBondContact O-CB 3.44Å; R2232-S2236 PolarHBondContact O-N 3.21Å; R2232-S2236 PolarHBondContact O-OG 2.7Å | ||
| 2233 | L | 32.2 | Very low | 29.9 | Very low | 132.6 Ų | 132.6 | 146.5 Ų | 146.5 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -87.3 | 18.3 | 179.4 | -71.3 | 172.2 | 0 | 0 | 0 | 115 | I2228 G2229 F2665 Y2672 | I2228-L2233 HydrophobicContact CG2-CD1 3.71Å; I2228-L2233 HydrophobicContact CG2-CD2 3.94Å; I2228-L2233 HydrophobicContact CG2-CG 3.64Å; G2229-L2233 PolarHBondContact O-N 3.11Å; L2233-F2665 HydrophobicContact CD1-CE2 4.42Å; L2233-Y2672 HydrophobicContact CD2-CD2 3.65Å; L2233-Y2672 HydrophobicContact CD2-CE2 3.71Å; L2233-Y2672 HydrophobicContact CD2-CG 4.18Å; L2233-Y2672 PolarHBondContact O-OH 3.47Å |
| 2234 | L | 31.5 | Very low | 29.9 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -125.7 | 45.4 | 165.9 | -69 | 174.5 | 0 | 0 | 0 | 111.3 | F2230 R2232 | F2230-L2234 PolarHBondContact O-N 2.92Å; R2232-L2234 VanDerWaalsContact C-N 3.3Å; R2232-L2234 PolarHBondContact O-N 2.96Å; R2232-L2234 VanDerWaalsContact O-N 3.12Å |
| 2235 | N | 30.1 | Very low | 30 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 174.5 | 61.4 | 179.7 | -67.9 | -24.7 | 0 | 0 | 0 | 114.4 | S2231 R2232 D2237 M2936 | S2231-N2235 VanDerWaalsContact O-CB 3.28Å; S2231-N2235 WeakPolarHBondContact O-CB 3.08Å; S2231-N2235 PolarHBondContact O-ND2 2.94Å; S2231-N2235 PolarHBondContact O-OD1 3.14Å; R2232-N2235 PolarHBondContact O-N 2.91Å; N2235-D2237 VanDerWaalsContact C-N 3.31Å; N2235-D2237 PolarHBondContact O-N 2.94Å; N2235-M2936 HydrophobicContact CB-SD 4.39Å; N2235-M2936 VanDerWaalsContact OD1-CE 3.29Å; N2235-M2936 WeakPolarHBondContact OD1-CE 3.35Å |
| 2236 | S | 31.4 | Very low | 30 | Very low | 65.8 Ų | 65.8 | 138 Ų | 138 | 46% | 0.46 | 74% | 0.735 | S | S | . | * | trans | -161.3 | 103.6 | 172.7 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | R2232 V2238 Y2672 | R2232-S2236 WeakPolarHBondContact CG-OG 3.25Å; R2232-S2236 PolarHBondContact NE-OG 2.72Å; R2232-S2236 VanDerWaalsContact O-CB 3.3Å; R2232-S2236 WeakPolarHBondContact O-CB 3.44Å; R2232-S2236 PolarHBondContact O-N 3.21Å; R2232-S2236 PolarHBondContact O-OG 2.7Å; S2236-V2238 PolarHBondContact O-N 2.77Å; S2236-Y2672 PolarHBondContact OG-OH 2.86Å | ||
| 2237 | D | 32.8 | Very low | 30 | Very low | 136.2 Ų | 136.2 | 137.5 Ų | 137.5 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | -112.7 | 123.6 | 63.7 | -62.6 | -41.8 | 0 | 0 | 0 | 114.1 | N2235 Y2672 | N2235-D2237 VanDerWaalsContact C-N 3.31Å; N2235-D2237 PolarHBondContact O-N 2.94Å; D2237-Y2672 PolarHBondContact OD1-OH 3.32Å; D2237-Y2672 PolarHBondContact OD2-OH 3.06Å | |||
| 2238 | V | 32.1 | Very low | 30.1 | Very low | 122.2 Ų | 122.2 | 137.9 Ų | 137.9 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -91.1 | 102.5 | 156.1 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | S2236 L2240 | S2236-V2238 PolarHBondContact O-N 2.77Å; V2238-L2240 VanDerWaalsContact C-N 3.34Å; V2238-L2240 PolarHBondContact O-N 2.88Å | ||
| 2239 | D | 29.4 | Very low | 30 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -164.7 | 140.9 | 138.6 | -106.9 | -27.7 | 0 | 0 | 0 | 113.1 | ||||
| 2240 | L | 30.7 | Very low | 29.9 | Very low | 150.4 Ų | 150.4 | 141.2 Ų | 141.2 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | trans | 90.4 | 93.1 | 166.5 | -75.2 | 164.5 | 0 | 0 | 0 | 116.8 | V2238 | V2238-L2240 VanDerWaalsContact C-N 3.34Å; V2238-L2240 PolarHBondContact O-N 2.88Å | ||
| 2241 | Y | 28.3 | Very low | 30.1 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | -137.9 | 122.8 | 106.1 | -104.8 | -96.4 | 0 | 0 | 0 | 115.6 | L2005 S2243 | L2005-Y2241 HydrophobicContact CD1-CE2 4.37Å; L2005-Y2241 WeakPolarHBondContact CD1-OH 3.41Å; L2005-Y2241 HydrophobicContact CD2-CE2 4.29Å; Y2241-S2243 PolarHBondContact O-N 3.29Å; Y2241-S2243 VanDerWaalsContact O-N 3.1Å | |||
| 2242 | Q | 27.2 | Very low | 30.1 | Very low | 170.8 Ų | 170.8 | 138.7 Ų | 138.7 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -126.3 | 116.7 | 168.1 | -162.9 | -171.2 | 20.9 | 0 | 0 | 111.9 | ||||
| 2243 | S | 29.1 | Very low | 30 | Very low | 103.2 Ų | 103.2 | 135.5 Ų | 135.5 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -177 | 113 | 161.4 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | Y2241 | Y2241-S2243 PolarHBondContact O-N 3.29Å; Y2241-S2243 VanDerWaalsContact O-N 3.1Å | ||
| 2244 | S | 28.4 | Very low | 29.9 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | 156.1 | 84 | 111.8 | -54.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2245 | L | 28.5 | Very low | 29.9 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -152.3 | 97.2 | 148 | -123.9 | 135.5 | 0 | 0 | 0 | 111.3 | I2247 | L2245-I2247 HydrophobicContact CG-CG1 4.37Å; L2245-I2247 PolarHBondContact O-N 3.02Å | ||
| 2246 | S | 28.4 | Very low | 30 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -112.2 | 117.8 | -179 | 38.8 | 0 | 0 | 0 | 0 | 111.2 | Q2248 | S2246-Q2248 VanDerWaalsContact C-N 3.3Å; S2246-Q2248 PolarHBondContact O-N 2.96Å | ||
| 2247 | I | 27.9 | Very low | 30 | Very low | 163.4 Ų | 163.4 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 121.2 | 163.7 | -61.6 | 173 | 0 | 0 | 0 | 109.7 | L2245 E2249 | L2245-I2247 HydrophobicContact CG-CG1 4.37Å; L2245-I2247 PolarHBondContact O-N 3.02Å; I2247-E2249 PolarHBondContact O-N 3.07Å; I2247-E2249 VanDerWaalsContact O-N 3.13Å | ||
| 2248 | Q | 29.8 | Very low | 30 | Very low | 172.6 Ų | 172.6 | 137 Ų | 137 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -135 | 127.8 | 166.2 | -170.8 | 165.4 | 5.7 | 0 | 0 | 112 | S2246 G2250 | S2246-Q2248 VanDerWaalsContact C-N 3.3Å; S2246-Q2248 PolarHBondContact O-N 2.96Å; Q2248-G2250 PolarHBondContact O-N 2.69Å | ||
| 2249 | E | 30 | Very low | 30 | Very low | 178.6 Ų | 178.6 | 135.5 Ų | 135.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 131.7 | 171.2 | -58.9 | 175.1 | 127.8 | 0 | 0 | 112.5 | I2247 | I2247-E2249 PolarHBondContact O-N 3.07Å; I2247-E2249 VanDerWaalsContact O-N 3.13Å | ||
| 2250 | G | 28.9 | Very low | 30.2 | Very low | 69.8 Ų | 69.8 | 132.7 Ų | 132.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -100.6 | 168.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q2248 | Q2248-G2250 PolarHBondContact O-N 2.69Š| ||
| 2251 | P | 33.9 | Very low | 30.3 | Very low | 120.6 Ų | 120.6 | 133.4 Ų | 133.4 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -115.6 | 156.7 | -162 | 37.3 | -31.4 | 0 | 0 | 0 | 115.4 | ||||
| 2252 | S | 29.2 | Very low | 30.5 | Very low | 115.6 Ų | 115.6 | 126.9 Ų | 126.9 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | 120.6 | 144.7 | 149.8 | 72.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 2253 | S | 31.3 | Very low | 31 | Very low | 120.8 Ų | 120.8 | 124.3 Ų | 124.3 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -138.4 | 137.1 | 148.4 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2254 | G | 30.1 | Very low | 31 | Very low | 76.8 Ų | 76.8 | 127.4 Ų | 127.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | 170.5 | 127.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2255 | R | 29.4 | Very low | 31.1 | Very low | 222.2 Ų | 222.2 | 129 Ų | 129 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 104.4 | 132.7 | 132.3 | -119.5 | -173 | 86 | 171.7 | 1 | 115.6 | ||||
| 2256 | T | 32.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 61.6 | 132 | 152.4 | 53.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2257 | G | 31.3 | Very low | 31.2 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | 177.1 | 120.2 | 116.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 2258 | D | 33.5 | Very low | 31.2 | Very low | 159.6 Ų | 159.6 | 128 Ų | 128 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 165.5 | 145.7 | 153.4 | -102 | -28.8 | 0 | 0 | 0 | 114.7 | ||||
| 2259 | A | 32.5 | Very low | 31.1 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 102.7 | 103.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2260 | A | 33.2 | Very low | 31 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 88 | 140.7 | 103.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 2261 | N | 32.9 | Very low | 30.9 | Very low | 165.4 Ų | 165.4 | 127.5 Ų | 127.5 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | trans | 87.8 | 108.9 | 143.8 | -63.3 | -28.1 | 0 | 0 | 0 | 118.9 | ||||
| 2262 | G | 31.7 | Very low | 30.7 | Very low | 72.4 Ų | 72.4 | 126.5 Ų | 126.5 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | trans | 174.9 | 159.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2263 | P | 37.4 | Very low | 30.7 | Very low | 114.4 Ų | 114.4 | 128.9 Ų | 128.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -114.1 | 161.7 | -174.7 | 38.9 | -31.2 | 0 | 0 | 0 | 113.8 | ||||
| 2264 | Q | 30 | Very low | 30.6 | Very low | 170.2 Ų | 170.2 | 131.4 Ų | 131.4 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | 86.7 | 126.8 | 126 | -75.8 | 178 | -6 | 0 | 0 | 117 | |||||
| 2265 | N | 30.1 | Very low | 30.6 | Very low | 141.4 Ų | 141.4 | 132 Ų | 132 | 76% | 0.756 | 75% | 0.754 | S | S | * | * | trans | 140.4 | 126.4 | 133.7 | -78.5 | -17.2 | 0 | 0 | 0 | 112.4 | ||||
| 2266 | N | 27.9 | Very low | 30.5 | Very low | 130.4 Ų | 130.4 | 128.7 Ų | 128.7 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | 89.4 | 140.3 | 65.2 | -119 | 14.5 | 0 | 0 | 0 | 114.7 | |||||
| 2267 | I | 32 | Very low | 30.5 | Very low | 147.8 Ų | 147.8 | 126.9 Ų | 126.9 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | -163.9 | 129 | 104.7 | -90.4 | 156.8 | 0 | 0 | 0 | 109.9 | |||||
| 2268 | Q | 27.7 | Very low | 30.5 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | 65.1 | 128.1 | 124.9 | -146.2 | 178.5 | -34.5 | 0 | 0 | 116.5 | S2270 | Q2268-S2270 PolarHBondContact NE2-OG 3.41Š| |||
| 2269 | F | 27.6 | Very low | 30.3 | Very low | 186.4 Ų | 186.4 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -167.6 | 136.3 | 95.5 | -115 | -101.1 | 0 | 0 | 0 | 112.5 | |||||
| 2270 | S | 26.7 | Very low | 30.2 | Very low | 89.4 Ų | 89.4 | 132.6 Ų | 132.6 | 63% | 0.625 | 75% | 0.748 | S | S | * | * | trans | 162.1 | 130.6 | 139.2 | 19.2 | 0 | 0 | 0 | 0 | 113 | Q2268 | Q2268-S2270 PolarHBondContact NE2-OG 3.41Š| ||
| 2271 | V | 27.9 | Very low | 30.4 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -49.6 | 118 | 131.9 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2272 | S | 29.6 | Very low | 30.5 | Very low | 100.4 Ų | 100.4 | 136.8 Ų | 136.8 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | -131 | 151.6 | 157.4 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2273 | E | 28.3 | Very low | 30.9 | Very low | 164.8 Ų | 164.8 | 139.8 Ų | 139.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | -132.6 | 146 | 93.9 | -76.1 | 169.2 | 124.2 | 0 | 0 | 111.6 | |||||
| 2274 | Q | 30.5 | Very low | 30.9 | Very low | 172.8 Ų | 172.8 | 139.2 Ų | 139.2 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | 178.1 | 121.9 | 120.2 | -101.7 | 164.2 | 39.4 | 0 | 0 | 112.2 | |||||
| 2275 | S | 28.7 | Very low | 31.2 | Very low | 90.2 Ų | 90.2 | 138.4 Ų | 138.4 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | 48.3 | 137.5 | 115.9 | 68.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 2276 | N | 29.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | 156.2 | 142.3 | 115.9 | -82 | -21.1 | 0 | 0 | 0 | 113.5 | |||||
| 2277 | A | 31.1 | Very low | 31.9 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | -175.3 | 133.4 | 91.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 2278 | F | 31.3 | Very low | 32 | Very low | 189.2 Ų | 189.2 | 135.4 Ų | 135.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | 177.2 | 122 | 151 | -83.6 | -93.1 | 0 | 0 | 0 | 110.6 | ||||
| 2279 | Q | 29.8 | Very low | 32.4 | Very low | 174.6 Ų | 174.6 | 133.3 Ų | 133.3 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | 80.8 | 128.2 | 57.6 | -72.8 | -166.8 | -39.4 | 0 | 0 | 114.1 | |||||
| 2280 | A | 31.6 | Very low | 33.1 | Very low | 81.8 Ų | 81.8 | 130.5 Ų | 130.5 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | trans | 92.9 | 158.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2281 | E | 36.7 | Very low | 34 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 174.9 | 157.5 | 134.1 | -71.2 | -173.8 | 174.7 | 0 | 0 | 112.6 | ||||
| 2282 | D | 34.9 | Very low | 34.7 | Very low | 150.2 Ų | 150.2 | 136 Ų | 136 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | cis | -128.4 | 153.1 | 4.7 | -118.2 | -29.3 | 0 | 0 | 0 | 112.3 | ||||
| 2283 | V | 39.5 | Very low | 35.4 | Very low | 134.2 Ų | 134.2 | 138.4 Ų | 138.4 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -177.2 | 136.3 | 168 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2284 | S | 38.7 | Very low | 36.5 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -131.1 | 137.1 | 141.2 | -161.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2285 | D | 36 | Very low | 37.1 | Very low | 153.8 Ų | 153.8 | 139 Ų | 139 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -134.4 | 163.4 | 148 | -64.7 | -44.7 | 0 | 0 | 0 | 111.6 | ||||
| 2286 | G | 36.6 | Very low | 38 | Very low | 69.4 Ų | 69.4 | 143.2 Ų | 143.2 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | 169.3 | 87.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2287 | Q | 35 | Very low | 38.8 | Very low | 199.4 Ų | 199.4 | 143.6 Ų | 143.6 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | trans | 45.2 | 136.1 | 138.3 | -64.6 | -177.4 | -109.1 | 0 | 0 | 119.3 | ||||
| 2288 | A | 35.4 | Very low | 39.7 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 169 | 132.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2289 | S | 35.3 | Very low | 40.6 | Very low | 97.6 Ų | 97.6 | 145 Ų | 145 | 68% | 0.683 | 77% | 0.774 | S | S | * | * | 75.7 | 124.7 | 81.8 | 75.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2290 | D | 41.8 | Very low | 41.2 | Very low | 127.2 Ų | 127.2 | 140.3 Ų | 140.3 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | -154.4 | 159.2 | 80.2 | -96.1 | -22.2 | 0 | 0 | 0 | 109.4 | |||||
| 2291 | Y | 46.4 | Very low | 42.3 | Very low | 194.2 Ų | 194.2 | 144.1 Ų | 144.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 73.7 | 120.3 | 147.1 | -56.1 | -65.1 | 0 | 0 | 0 | 116.1 | ||||
| 2292 | D | 42.8 | Very low | 42.8 | Very low | 145.6 Ų | 145.6 | 143.1 Ų | 143.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | -102.1 | 154.7 | 62.1 | -55.2 | -50.7 | 0 | 0 | 0 | 114.9 | |||||
| 2293 | E | 42.9 | Very low | 43.4 | Very low | 150.8 Ų | 150.8 | 139.7 Ų | 139.7 | 71% | 0.705 | 78% | 0.783 | S | S | * | * | trans | -155 | 145.6 | 175.3 | -159.1 | 172.3 | -159.8 | 0 | 0 | 112.6 | ||||
| 2294 | Y | 52.9 | Low | 43.6 | Very low | 207.8 Ų | 207.8 | 142.1 Ų | 142.1 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | 174.6 | 128.9 | 150.1 | -67.4 | -67 | 0 | 0 | 0 | 116.7 | ||||
| 2295 | D | 43.6 | Very low | 44.1 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -92.7 | 158.4 | 165.4 | -60 | -73.7 | 0 | 0 | 0 | 112.2 | ||||
| 2296 | E | 45.8 | Very low | 44.6 | Very low | 180.2 Ų | 180.2 | 144.9 Ų | 144.9 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -167.5 | 127.5 | 151.4 | -81 | 177.4 | 165.8 | 0 | 0 | 109.5 | ||||
| 2297 | Q | 47.4 | Very low | 45.2 | Very low | 161.8 Ų | 161.8 | 150.2 Ų | 150.2 | 76% | 0.756 | 79% | 0.793 | S | S | * | * | 55.2 | 138 | 73.3 | -95.1 | 92.7 | 41.9 | 0 | 0 | 112.7 | |||||
| 2298 | D | 49.9 | Very low | 45.7 | Very low | 142.2 Ų | 142.2 | 148.6 Ų | 148.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -148 | 156.6 | 116.8 | -140.6 | -11.6 | 0 | 0 | 0 | 108.4 | |||||
| 2299 | D | 48.9 | Very low | 46.4 | Very low | 157.6 Ų | 157.6 | 152.3 Ų | 152.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | 87.3 | 139.3 | 151.2 | -69.4 | -31.5 | 0 | 0 | 0 | 113.9 | ||||
| 2300 | G | 43.4 | Very low | 47.1 | Very low | 76.2 Ų | 76.2 | 154.7 Ų | 154.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -152.7 | 164 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2301 | D | 55 | Low | 47.6 | Very low | 162.8 Ų | 162.8 | 156.1 Ų | 156.1 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -165.6 | 150.6 | 166.3 | -155.6 | 7 | 0 | 0 | 0 | 112.4 | ||||
| 2302 | D | 46.6 | Very low | 47.6 | Very low | 162.4 Ų | 162.4 | 155.3 Ų | 155.3 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -110 | 161.2 | -168.2 | -70.9 | -54.1 | 0 | 0 | 0 | 113.1 | ||||
| 2303 | G | 46.8 | Very low | 47.6 | Very low | 78.8 Ų | 78.8 | 155.6 Ų | 155.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -167.3 | 108.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2304 | E | 44.2 | Very low | 47.7 | Very low | 184.6 Ų | 184.6 | 157.4 Ų | 157.4 | 86% | 0.863 | 82% | 0.819 | S | S | * | * | trans | -92.7 | 158.8 | 178.5 | -60.1 | 178.9 | 138.8 | 0 | 0 | 112.5 | ||||
| 2305 | D | 49.2 | Very low | 47.3 | Very low | 157.6 Ų | 157.6 | 153.1 Ų | 153.1 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 163.5 | 135.3 | 152.4 | -88.2 | -31.5 | 0 | 0 | 0 | 114.5 | ||||
| 2306 | H | 47 | Very low | 47.3 | Very low | 158.6 Ų | 158.6 | 154.4 Ų | 154.4 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -119.8 | 148.7 | -177.6 | -85.9 | -91.2 | 0 | 0 | 0 | 112.9 | ||||
| 2307 | E | 48.5 | Very low | 47.5 | Very low | 179.8 Ų | 179.8 | 153 Ų | 153 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | 166.5 | 140.5 | 129.5 | -75.3 | 167.3 | -163.8 | 0 | 0 | 111.5 | |||||
| 2308 | E | 45.4 | Very low | 47.5 | Very low | 165.4 Ų | 165.4 | 153.5 Ų | 153.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | -151.4 | 144.1 | -3.2 | -83.7 | 173 | 157 | 0 | 0 | 108.7 | ||||
| 2309 | D | 51.6 | Low | 47.5 | Very low | 165.6 Ų | 165.6 | 154.6 Ų | 154.6 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | trans | -156.5 | 135 | 169 | -92.9 | -28.6 | 0 | 0 | 0 | 112.6 | ||||
| 2310 | D | 48.7 | Very low | 47.3 | Very low | 148.2 Ų | 148.2 | 150.4 Ų | 150.4 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -112.3 | 164.2 | -173.4 | -86.2 | -48.1 | 0 | 0 | 0 | 112.6 | ||||
| 2311 | D | 52 | Low | 47.7 | Very low | 157.2 Ų | 157.2 | 154.1 Ų | 154.1 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -178.5 | 127.8 | 151 | -92.4 | -26.6 | 0 | 0 | 0 | 113.2 | ||||
| 2312 | E | 46.3 | Very low | 47.3 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -118.5 | 168.5 | -170.6 | -82.6 | -168 | 152.2 | 0 | 0 | 111.6 | ||||
| 2313 | N | 44.1 | Very low | 47.3 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -97.2 | 146.2 | 165 | -64.9 | -84 | 0 | 0 | 0 | 113.7 | ||||
| 2314 | E | 43.7 | Very low | 47.3 | Very low | 189.6 Ų | 189.6 | 154.4 Ų | 154.4 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | -133.4 | 155.2 | 143.3 | -78.8 | -175.8 | 155.9 | 0 | 0 | 112.6 | ||||
| 2315 | T | 45.5 | Very low | 47.4 | Very low | 117.8 Ų | 117.8 | 156.3 Ų | 156.3 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | -108.7 | 174 | 169 | 43.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2316 | E | 44 | Very low | 47.1 | Very low | 168.4 Ų | 168.4 | 152.5 Ų | 152.5 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | 109.8 | 169.2 | 169.1 | -69.4 | 162.3 | -167.4 | 0 | 0 | 114.5 | ||||
| 2317 | D | 48.4 | Very low | 46.7 | Very low | 149.4 Ų | 149.4 | 148.5 Ų | 148.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | 119.4 | 158 | 139.2 | -67.7 | -14.8 | 0 | 0 | 0 | 117.2 | ||||
| 2318 | E | 48.8 | Very low | 46.6 | Very low | 174.2 Ų | 174.2 | 146.8 Ų | 146.8 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | cis | -153.5 | 159.9 | 27.7 | -113.6 | -173 | 176.8 | 0 | 0 | 113.5 | ||||
| 2319 | D | 49.5 | Very low | 46.4 | Very low | 164.2 Ų | 164.2 | 147 Ų | 147 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -19.6 | 162.1 | 164 | -71.7 | -35.1 | 0 | 0 | 0 | 118.9 | ||||
| 2320 | G | 44.9 | Very low | 46 | Very low | 69.4 Ų | 69.4 | 145.7 Ų | 145.7 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | 175.4 | 140.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2321 | D | 50.8 | Low | 45.7 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -150.7 | 156.8 | 130.2 | -104.1 | -29.9 | 0 | 0 | 0 | 111.8 | ||||
| 2322 | Q | 47.9 | Very low | 45.1 | Very low | 166.4 Ų | 166.4 | 146.8 Ų | 146.8 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -124.3 | 162.4 | 160.8 | -86 | 151.2 | 44.2 | 0 | 0 | 114.6 | ||||
| 2323 | D | 45.5 | Very low | 45 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | 157.6 | 151.3 | 74.6 | -101.1 | -2.9 | 0 | 0 | 0 | 115.9 | |||||
| 2324 | V | 46.4 | Very low | 44.9 | Very low | 105.6 Ų | 105.6 | 142.9 Ų | 142.9 | 64% | 0.64 | 78% | 0.782 | S | S | * | * | cis | 156.4 | 145.9 | 45 | 134.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2325 | Y | 47.9 | Very low | 45 | Very low | 225.6 Ų | 225.6 | 140.3 Ų | 140.3 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | 49.7 | 146.1 | 158.9 | -78.8 | -119.1 | 0 | 0 | 0 | 117.4 | ||||
| 2326 | G | 42.3 | Very low | 45.2 | Very low | 76.8 Ų | 76.8 | 141.7 Ų | 141.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | 137.4 | 153.3 | 14.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2327 | G | 39.3 | Very low | 45.2 | Very low | 74.4 Ų | 74.4 | 141.8 Ų | 141.8 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | 148.6 | 148.6 | 148 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2328 | D | 45.9 | Very low | 45 | Very low | 145.4 Ų | 145.4 | 141.1 Ų | 141.1 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | -113.2 | 148.1 | -175 | -63.1 | -36.9 | 0 | 0 | 0 | 116.2 | ||||
| 2329 | Q | 41.7 | Very low | 45.1 | Very low | 168.6 Ų | 168.6 | 139.9 Ų | 139.9 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | 144 | 139.1 | 133.5 | -75.5 | 163.8 | 88.2 | 0 | 0 | 114.7 | ||||
| 2330 | L | 42.6 | Very low | 44.8 | Very low | 139.4 Ų | 139.4 | 140.2 Ų | 140.2 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | 123.7 | 144.1 | 100.3 | -77 | 177 | 0 | 0 | 0 | 115 | |||||
| 2331 | I | 42.4 | Very low | 44.9 | Very low | 147.2 Ų | 147.2 | 143.5 Ų | 143.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 89.3 | 123.7 | 153.5 | -69 | 162 | 0 | 0 | 0 | 114.2 | ||||
| 2332 | E | 38.6 | Very low | 44.9 | Very low | 181.4 Ų | 181.4 | 143.2 Ų | 143.2 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | 80.6 | 148.3 | 74.2 | -61.3 | 174.9 | 172.7 | 0 | 0 | 115.9 | |||||
| 2333 | G | 44.4 | Very low | 44.9 | Very low | 64 Ų | 64 | 143.8 Ų | 143.8 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 114.4 | 114.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2334 | E | 42.1 | Very low | 45 | Very low | 181.6 Ų | 181.6 | 144.6 Ų | 144.6 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | cis | 87.3 | 137.5 | 39.9 | -70.5 | 175.2 | 173.9 | 0 | 0 | 112.1 | ||||
| 2335 | D | 46.3 | Very low | 45 | Very low | 134.2 Ų | 134.2 | 146.8 Ų | 146.8 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | 166.4 | 160.3 | 170.4 | -69.5 | -29.8 | 0 | 0 | 0 | 113.9 | ||||
| 2336 | D | 48.9 | Very low | 44.7 | Very low | 146.6 Ų | 146.6 | 140.5 Ų | 140.5 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 83.8 | 138.6 | 134.5 | -59.8 | -23.4 | 0 | 0 | 0 | 116.6 | ||||
| 2337 | E | 43.9 | Very low | 44.9 | Very low | 170.4 Ų | 170.4 | 142 Ų | 142 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | cis | 163.4 | 164 | 23.9 | -83.5 | -174.3 | 160.3 | 0 | 0 | 113.5 | ||||
| 2338 | D | 45.6 | Very low | 45.1 | Very low | 135.4 Ų | 135.4 | 145.8 Ų | 145.8 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | 66.5 | 134.3 | 159.6 | -58.7 | -16.2 | 0 | 0 | 0 | 123.3 | ||||
| 2339 | D | 49.8 | Very low | 45 | Very low | 148.8 Ų | 148.8 | 146.7 Ų | 146.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 90.6 | 131.7 | 134 | -69.6 | -15.2 | 0 | 0 | 0 | 121.4 | ||||
| 2340 | E | 44.4 | Very low | 44.9 | Very low | 170.2 Ų | 170.2 | 142.8 Ų | 142.8 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | trans | 93.6 | 149.9 | 147.5 | -62.6 | -171.4 | 145 | 0 | 0 | 117.7 | ||||
| 2341 | D | 47.2 | Very low | 44.9 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 76.4 | 139.6 | 144.9 | -61.6 | -3.8 | 0 | 0 | 0 | 123.6 | ||||
| 2342 | D | 50 | Low | 44.7 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 104.9 | 128.7 | 135.4 | -87.1 | -14.2 | 0 | 0 | 0 | 118.9 | ||||
| 2343 | E | 48.2 | Very low | 44.7 | Very low | 178.8 Ų | 178.8 | 141.4 Ų | 141.4 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 45.5 | 160.6 | 141 | -64.2 | -162.3 | 149.1 | 0 | 0 | 120.4 | ||||
| 2344 | D | 47.8 | Very low | 44.5 | Very low | 152.6 Ų | 152.6 | 143.7 Ų | 143.7 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 39.2 | 135.5 | 157.9 | -72.9 | -20.1 | 0 | 0 | 0 | 122.2 | ||||
| 2345 | D | 44.9 | Very low | 44.4 | Very low | 151.4 Ų | 151.4 | 139.4 Ų | 139.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | 131.9 | 141.2 | 123 | -140.7 | -5.4 | 0 | 0 | 0 | 118.1 | |||||
| 2346 | S | 43.5 | Very low | 43.8 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 121.2 | 123.9 | 167.4 | 73.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2347 | S | 45.6 | Very low | 43.2 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 120.8 | 143.1 | 130.6 | 66.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2348 | H | 42.9 | Very low | 42.7 | Very low | 155.6 Ų | 155.6 | 133.2 Ų | 133.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 84.4 | 123.1 | 128.9 | -108.3 | -66.5 | 0 | 0 | 0 | 118.9 | |||||
| 2349 | H | 44.3 | Very low | 42.1 | Very low | 163.8 Ų | 163.8 | 131.9 Ų | 131.9 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | 83.8 | 131 | 149.6 | -67.3 | -64.4 | 0 | 0 | 0 | 118.4 | ||||
| 2350 | S | 39.9 | Very low | 41.3 | Very low | 87.2 Ų | 87.2 | 135.4 Ų | 135.4 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | cis | -166.4 | 153.1 | 44.3 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2351 | D | 41.3 | Very low | 40.7 | Very low | 147.4 Ų | 147.4 | 132 Ų | 132 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 85.4 | 145.7 | 157.8 | -55.5 | -47.4 | 0 | 0 | 0 | 116.4 | ||||
| 2352 | E | 39.5 | Very low | 40 | Very low | 179.2 Ų | 179.2 | 131.3 Ų | 131.3 | 84% | 0.837 | 77% | 0.766 | S | S | * | * | -164.5 | 139.4 | 113.6 | -107.9 | -176.5 | 131.2 | 0 | 0 | 112.4 | |||||
| 2353 | S | 38.6 | Very low | 39.1 | Very low | 110.4 Ų | 110.4 | 129.3 Ų | 129.3 | 77% | 0.772 | 76% | 0.763 | S | S | * | * | trans | 68.4 | 139.8 | 155.1 | 64.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2354 | S | 40.1 | Very low | 38.5 | Very low | 112.2 Ų | 112.2 | 126.5 Ų | 126.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 156.2 | 158.2 | 83.6 | 67.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 2355 | A | 38.8 | Very low | 37.7 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | 104.9 | 141.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2356 | D | 35 | Very low | 37.1 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | 89.9 | 142 | 161.1 | -119.6 | -6.3 | 0 | 0 | 0 | 117.2 | ||||
| 2357 | A | 36.3 | Very low | 36.5 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 83.4 | 123.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2358 | G | 32.7 | Very low | 35.7 | Very low | 68.4 Ų | 68.4 | 130 Ų | 130 | 71% | 0.705 | 76% | 0.763 | S | S | * | * | trans | 114.4 | 126.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2359 | S | 33.8 | Very low | 35.1 | Very low | 108.2 Ų | 108.2 | 133.2 Ų | 133.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -124.4 | 152.6 | 156.1 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | E2165 | E2165-S2359 WeakPolarHBondContact CG-O 3.41Å; E2165-S2359 PolarHBondContact OE1-N 3.41Å; E2165-S2359 PolarHBondContact OE2-N 3.42Å | ||
| 2360 | R | 32 | Very low | 34.5 | Very low | 223 Ų | 223 | 130.7 Ų | 130.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 146.7 | 133.5 | 152.5 | -73.2 | 155.8 | 134.7 | -145 | -3.4 | 115 | E2165 T2166 | E2165-R2360 CarbonylContact C-O 3.42Å; E2165-R2360 WeakPolarHBondContact CA-O 3.32Å; E2165-R2360 WeakPolarHBondContact CG-O 3.19Å; T2166-R2360 PolarHBondContact N-O 3.02Å; T2166-R2360 CarbonylContact O-C 3.56Å; T2166-R2360 VanDerWaalsContact O-O 3.08Å; T2166-R2360 PolarHBondContact OG1-O 3.13Å | ||
| 2361 | S | 31.8 | Very low | 33.9 | Very low | 97.6 Ų | 97.6 | 137.8 Ų | 137.8 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | 81 | 130.3 | 119.9 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | T2166 | T2166-S2361 PolarHBondContact OG1-N 2.96Å; T2166-S2361 PolarHBondContact OG1-O 3.1Å | |||
| 2362 | T | 32.9 | Very low | 33.3 | Very low | 125.4 Ų | 125.4 | 136.8 Ų | 136.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | -139.7 | 146.3 | 45.5 | 46.6 | 0 | 0 | 0 | 0 | 114.7 | T2166 | T2166-T2362 PolarHBondContact OG1-N 2.99Š| ||
| 2363 | S | 32.1 | Very low | 32.8 | Very low | 106.6 Ų | 106.6 | 133.4 Ų | 133.4 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | -51.5 | 159.7 | 153.1 | -52.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2364 | P | 34.9 | Very low | 32.5 | Very low | 119.8 Ų | 119.8 | 134.5 Ų | 134.5 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | cis | -107.1 | 132.1 | 33.2 | 25.2 | -12.7 | 0 | 0 | 0 | 113 | W2366 | P2364-W2366 PolarHBondContact O-N 2.81Š| ||
| 2365 | T | 31.3 | Very low | 31.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 133 | 160.1 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | V2367 | T2365-V2367 HydrophobicContact CG2-CG2 3.84Å; T2365-V2367 PolarHBondContact O-N 2.9Å; T2365-V2367 VanDerWaalsContact O-N 3.09Å | ||
| 2366 | W | 31.1 | Very low | 31.4 | Very low | 233.8 Ų | 233.8 | 138.9 Ų | 138.9 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -88.5 | 112 | 164.1 | -80.2 | 86.7 | 0 | 0 | 0 | 111.4 | P2364 S2368 W2369 | P2364-W2366 PolarHBondContact O-N 2.81Å; W2366-S2368 PolarHBondContact O-N 3.08Å; W2366-W2369 AromaticContact CZ3-NE1 3.95Å | ||
| 2367 | V | 31.4 | Very low | 31.1 | Very low | 121.6 Ų | 121.6 | 142 Ų | 142 | 74% | 0.737 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.8 | 167.8 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | T2365 W2369 | T2365-V2367 HydrophobicContact CG2-CG2 3.84Å; T2365-V2367 PolarHBondContact O-N 2.9Å; T2365-V2367 VanDerWaalsContact O-N 3.09Å; V2367-W2369 PolarHBondContact O-N 3.49Å |
| 2368 | S | 29.2 | Very low | 30.7 | Very low | 104.8 Ų | 104.8 | 145.7 Ų | 145.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -51.9 | 132.2 | 176.3 | -155.6 | 0 | 0 | 0 | 0 | 114.3 | W2366 P2370 | W2366-S2368 PolarHBondContact O-N 3.08Å; S2368-P2370 WeakPolarHBondContact O-CD 3.27Å; S2368-P2370 WeakPolarHBondContact OG-CD 3.47Å | ||
| 2369 | W | 29.5 | Very low | 30.6 | Very low | 222.8 Ų | 222.8 | 147.7 Ų | 147.7 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -91.6 | 125.7 | 167.5 | -76.9 | 54.5 | 0 | 0 | 0 | 110.3 | W2366 V2367 R2371 | W2366-W2369 AromaticContact CZ3-NE1 3.95Å; V2367-W2369 PolarHBondContact O-N 3.49Å; W2369-R2371 PolarHBondContact O-N 3.35Å | ||
| 2370 | P | 31.8 | Very low | 30.5 | Very low | 111.2 Ų | 111.2 | 148.1 Ų | 148.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -76.2 | 122.7 | 176.1 | 30.4 | -32.3 | 0 | 0 | 0 | 110.6 | S2368 T2372 | S2368-P2370 WeakPolarHBondContact O-CD 3.27Å; S2368-P2370 WeakPolarHBondContact OG-CD 3.47Å; P2370-T2372 PolarHBondContact O-N 3.12Å | ||
| 2371 | R | 27.7 | Very low | 30.3 | Very low | 235.4 Ų | 235.4 | 148.3 Ų | 148.3 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 87.6 | 179.6 | -73.6 | 172.3 | 95.3 | -174.1 | 4.3 | 112.4 | W2369 S2373 | W2369-R2371 PolarHBondContact O-N 3.35Å; R2371-S2373 PolarHBondContact O-N 3.21Å | ||
| 2372 | T | 29.7 | Very low | 30 | Very low | 125.8 Ų | 125.8 | 147.9 Ų | 147.9 | 77% | 0.772 | 79% | 0.789 | S | S | * | * | trans | -84.5 | 117.1 | 159.6 | 43.9 | 0 | 0 | 0 | 0 | 109.8 | P2370 I2374 | P2370-T2372 PolarHBondContact O-N 3.12Å; T2372-I2374 PolarHBondContact O-N 3.39Å; T2372-I2374 VanDerWaalsContact O-N 3.09Å | ||
| 2373 | S | 29.2 | Very low | 29.8 | Very low | 107.6 Ų | 107.6 | 148.2 Ų | 148.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -88.8 | 119.2 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | R2371 | R2371-S2373 PolarHBondContact O-N 3.21Š| ||
| 2374 | I | 30.5 | Very low | 29.7 | Very low | 134.6 Ų | 134.6 | 147.9 Ų | 147.9 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -135.6 | 82.1 | 174.2 | -36.4 | 173.2 | 0 | 0 | 0 | 112 | T2372 | T2372-I2374 PolarHBondContact O-N 3.39Å; T2372-I2374 VanDerWaalsContact O-N 3.09Å | ||
| 2375 | F | 27.1 | Very low | 29.5 | Very low | 188.4 Ų | 188.4 | 151.1 Ų | 151.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -174.3 | 88.1 | 167.3 | -81.7 | -69.7 | 0 | 0 | 0 | 113.6 | R2377 | F2375-R2377 HydrophobicContact CB-CG 3.91Å; F2375-R2377 HydrophobicContact CD1-CG 3.67Å; F2375-R2377 VanDerWaalsContact CD1-NE 3.34Å; F2375-R2377 HydrophobicContact CG-CG 4.17Å; F2375-R2377 PolarHBondContact O-N 2.97Å | ||
| 2376 | S | 29.5 | Very low | 29.4 | Very low | 107.2 Ų | 107.2 | 150.4 Ų | 150.4 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -150.9 | 116.4 | 144.7 | -75.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2377 | R | 28.4 | Very low | 29.3 | Very low | 224.8 Ų | 224.8 | 144.5 Ų | 144.5 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 70.3 | 94.1 | 145.2 | -66.6 | 176.9 | -178.1 | -168.2 | 0.6 | 115.3 | F2375 S2379 | F2375-R2377 HydrophobicContact CB-CG 3.91Å; F2375-R2377 HydrophobicContact CD1-CG 3.67Å; F2375-R2377 VanDerWaalsContact CD1-NE 3.34Å; F2375-R2377 HydrophobicContact CG-CG 4.17Å; F2375-R2377 PolarHBondContact O-N 2.97Å; R2377-S2379 PolarHBondContact O-N 3.42Å; R2377-S2379 VanDerWaalsContact O-N 3.13Å | ||
| 2378 | L | 27.5 | Very low | 29.3 | Very low | 171.6 Ų | 171.6 | 147 Ų | 147 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -139.9 | 74.6 | 142.9 | -98.6 | 114.4 | 0 | 0 | 0 | 112.2 | ||||
| 2379 | S | 30.5 | Very low | 29.3 | Very low | 111.4 Ų | 111.4 | 146.8 Ų | 146.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -157.1 | 111.9 | 155 | -133.7 | 0 | 0 | 0 | 0 | 108.9 | R2377 R2381 | R2377-S2379 PolarHBondContact O-N 3.42Å; R2377-S2379 VanDerWaalsContact O-N 3.13Å; S2379-R2381 PolarHBondContact O-N 3.28Å | ||
| 2380 | S | 31.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 151.2 | 115.9 | 132.8 | 8 | 0 | 0 | 0 | 0 | 112 | A2382 | S2380-A2382 PolarHBondContact O-N 3.44Š| ||
| 2381 | R | 27.6 | Very low | 29.2 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -106.2 | 140.2 | 155.9 | -137.6 | 176.2 | 173.9 | 176.2 | -2.8 | 109.4 | M1891 S2379 | M1891-R2381 PolarHBondContact SD-NH1 2.68Å; M1891-R2381 VanDerWaalsContact SD-NH1 3.4Å; S2379-R2381 PolarHBondContact O-N 3.28Å | ||
| 2382 | A | 27.2 | Very low | 29.2 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | 106.3 | 128.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2380 | S2380-A2382 PolarHBondContact O-N 3.44Š| ||
| 2383 | V | 29 | Very low | 29.3 | Very low | 130.6 Ų | 130.6 | 137.1 Ų | 137.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | 176 | 129.5 | 97.7 | 162.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2384 | S | 28.5 | Very low | 29.6 | Very low | 101.4 Ų | 101.4 | 136.6 Ų | 136.6 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -89.5 | 140.4 | 151.8 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2385 | Q | 30.9 | Very low | 29.7 | Very low | 185.6 Ų | 185.6 | 137.2 Ų | 137.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | -176.6 | 130.5 | 75.4 | -78.3 | 173 | 0.2 | 0 | 0 | 113.9 | |||||
| 2386 | S | 28.9 | Very low | 30.1 | Very low | 106.6 Ų | 106.6 | 134 Ų | 134 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -132.2 | 150.2 | 143.6 | 38.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2387 | S | 30.4 | Very low | 30.4 | Very low | 110.2 Ų | 110.2 | 134.3 Ų | 134.3 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | -84 | 151.4 | 125.4 | -16.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 2388 | E | 30 | Very low | 30.7 | Very low | 173.8 Ų | 173.8 | 130.8 Ų | 130.8 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -128 | 162.1 | 112.2 | -88.4 | 162.9 | 147.4 | 0 | 0 | 112.9 | |||||
| 2389 | S | 29.5 | Very low | 31.1 | Very low | 101.6 Ų | 101.6 | 126 Ų | 126 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | -135.7 | 135.2 | 151.8 | 46.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 2390 | I | 29.4 | Very low | 31.4 | Very low | 148.8 Ų | 148.8 | 127.4 Ų | 127.4 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | trans | -132.5 | 140.4 | 159.6 | -87.7 | 165.8 | 0 | 0 | 0 | 112.1 | T2392 | I2390-T2392 WeakPolarHBondContact CG2-OG1 3.32Š| ||
| 2391 | S | 29.5 | Very low | 31.5 | Very low | 100.2 Ų | 100.2 | 128 Ų | 128 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -131.3 | 142.5 | 162.6 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2392 | T | 28.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | -166 | 115.1 | 159.4 | 6.4 | 0 | 0 | 0 | 0 | 110.4 | I2390 | I2390-T2392 WeakPolarHBondContact CG2-OG1 3.32Š| ||
| 2393 | T | 31.3 | Very low | 32.2 | Very low | 124.6 Ų | 124.6 | 122.8 Ų | 122.8 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | 62.9 | 121.3 | 127.8 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 2394 | S | 34.6 | Very low | 32.5 | Very low | 96.6 Ų | 96.6 | 125.8 Ų | 125.8 | 68% | 0.676 | 73% | 0.727 | S | S | * | * | 166.7 | 141.3 | 60.7 | 54.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 2395 | N | 33.6 | Very low | 32.8 | Very low | 146.4 Ų | 146.4 | 125.5 Ų | 125.5 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | 138.3 | 144.2 | 148.3 | -74 | -20.6 | 0 | 0 | 0 | 112.4 | ||||
| 2396 | T | 35.8 | Very low | 33 | Very low | 121.4 Ų | 121.4 | 122.8 Ų | 122.8 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | 170.3 | 141.5 | 80 | 31.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 2397 | T | 35.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | 77 | 151.5 | 143.2 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2398 | D | 34.6 | Very low | 33.4 | Very low | 150.4 Ų | 150.4 | 123.8 Ų | 123.8 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | 152.3 | 160.3 | 96 | -86.4 | -38.9 | 0 | 0 | 0 | 113.8 | |||||
| 2399 | A | 35.9 | Very low | 33.5 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 60% | 0.595 | 70% | 0.697 | S | S | * | * | cis | -156.4 | 138.1 | 12.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2400 | L | 36.6 | Very low | 33.7 | Very low | 140.8 Ų | 140.8 | 124 Ų | 124 | 74% | 0.737 | 70% | 0.695 | S | S | * | * | 107.9 | 123.6 | 108.8 | -74.8 | 172 | 0 | 0 | 0 | 116.4 | |||||
| 2401 | N | 33.1 | Very low | 33.7 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | trans | 61 | 147.2 | 137.2 | -114.6 | -3.1 | 0 | 0 | 0 | 118.4 | ||||
| 2402 | S | 35.4 | Very low | 33.7 | Very low | 85.2 Ų | 85.2 | 124.7 Ų | 124.7 | 60% | 0.596 | 70% | 0.697 | S | S | * | * | cis | 177.8 | 141.1 | -7.9 | 179.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 2403 | N | 34.9 | Very low | 33.7 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 65% | 0.647 | 70% | 0.697 | S | S | * | * | trans | 76.2 | 142.6 | 151.6 | -69.8 | -44.5 | 0 | 0 | 0 | 116.8 | ||||
| 2404 | R | 34.6 | Very low | 33.6 | Very low | 195.2 Ų | 195.2 | 125 Ų | 125 | 74% | 0.737 | 70% | 0.698 | S | S | * | * | cis | 150.5 | 159.9 | 24.9 | -94.7 | 170.8 | 76.6 | 155.8 | 9.4 | 111.7 | ||||
| 2405 | D | 35.4 | Very low | 33.4 | Very low | 93.2 Ų | 93.2 | 126.5 Ų | 126.5 | 50% | 0.498 | 70% | 0.703 | S | S | . | * | cis | 165.7 | 138.2 | 40.6 | -92.4 | -12.3 | 0 | 0 | 0 | 113.6 | ||||
| 2406 | N | 34.1 | Very low | 33.3 | Very low | 129.6 Ų | 129.6 | 122.7 Ų | 122.7 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | 67.3 | 156.3 | 123.1 | -71.2 | -34.4 | 0 | 0 | 0 | 119.3 | |||||
| 2407 | T | 35 | Very low | 33 | Very low | 108.4 Ų | 108.4 | 126 Ų | 126 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | cis | 151.6 | 132.3 | 41.4 | 31.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2408 | N | 32.6 | Very low | 32.6 | Very low | 129.4 Ų | 129.4 | 125.3 Ų | 125.3 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | 74.2 | 145.5 | 104.1 | -79.7 | 22.7 | 0 | 0 | 0 | 118.2 | |||||
| 2409 | E | 33.1 | Very low | 32.4 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 71% | 0.71 | 71% | 0.705 | S | S | * | * | 125 | 139.9 | 101 | -86 | -177 | -157.8 | 0 | 0 | 117.7 | |||||
| 2410 | L | 33.4 | Very low | 32.1 | Very low | 127.8 Ų | 127.8 | 127.2 Ų | 127.2 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | 79 | 126.8 | 128.8 | -74.9 | 168.4 | 0 | 0 | 0 | 120.4 | |||||
| 2411 | N | 29.5 | Very low | 31.9 | Very low | 136.4 Ų | 136.4 | 126.7 Ų | 126.7 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | 36.1 | 143.4 | 126 | -60.3 | -4.5 | 0 | 0 | 0 | 120.5 | |||||
| 2412 | T | 30.6 | Very low | 31.7 | Very low | 127.2 Ų | 127.2 | 127.3 Ų | 127.3 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | 175.2 | 126.7 | 87 | -59.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2413 | V | 28.6 | Very low | 31.5 | Very low | 120.4 Ų | 120.4 | 128.9 Ų | 128.9 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | -10.5 | 142.4 | 148.7 | -177.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2414 | T | 29.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 169.4 | 123.4 | 136.5 | -60.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2415 | T | 29.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | -8.6 | 138.8 | 146.4 | -31.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2416 | G | 31 | Very low | 30.8 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 163.3 | 133 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2417 | Q | 29.4 | Very low | 30.8 | Very low | 189.6 Ų | 189.6 | 124.5 Ų | 124.5 | 89% | 0.886 | 73% | 0.728 | S | S | * | * | trans | 65.8 | 152.2 | 139.9 | -61.6 | -177 | -15.9 | 0 | 0 | 113.7 | ||||
| 2418 | S | 27.9 | Very low | 30.6 | Very low | 99.8 Ų | 99.8 | 128.2 Ų | 128.2 | 70% | 0.698 | 74% | 0.737 | S | S | * | * | 149.1 | 146.5 | 105.2 | -162.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2419 | L | 29.9 | Very low | 30.5 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | 75.2 | 142.1 | 110.2 | -67.8 | 164 | 0 | 0 | 0 | 116.5 | |||||
| 2420 | T | 30.4 | Very low | 30.4 | Very low | 113.6 Ų | 113.6 | 128.8 Ų | 128.8 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | 111.1 | 155.2 | 107.2 | 43.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 2421 | N | 31.7 | Very low | 30.2 | Very low | 130.2 Ų | 130.2 | 128.6 Ų | 128.6 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | -169.8 | 141.2 | 93.2 | -89.5 | -22.8 | 0 | 0 | 0 | 116 | |||||
| 2422 | L | 30.1 | Very low | 30.3 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 75.7 | 129.3 | 133.7 | -65.1 | 169.8 | 0 | 0 | 0 | 118 | ||||
| 2423 | T | 30.8 | Very low | 30.3 | Very low | 117.4 Ų | 117.4 | 126.8 Ų | 126.8 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | cis | 145 | 149.7 | 41.7 | 35 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2424 | S | 29.9 | Very low | 30.4 | Very low | 99.4 Ų | 99.4 | 125.8 Ų | 125.8 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | cis | -179.7 | -177.5 | -10.4 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2425 | V | 31.2 | Very low | 30.4 | Very low | 119.8 Ų | 119.8 | 127.1 Ų | 127.1 | 73% | 0.726 | 74% | 0.741 | S | S | * | * | trans | 77.3 | 100.6 | 151.5 | 170.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2426 | T | 29.5 | Very low | 30.4 | Very low | 121.2 Ų | 121.2 | 127.9 Ų | 127.9 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | 78 | 150.1 | 90.2 | 35.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 2427 | V | 32.9 | Very low | 30.4 | Very low | 107.2 Ų | 107.2 | 130.1 Ų | 130.1 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | 157.2 | 137.1 | 70.7 | 140.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 2428 | Q | 31.7 | Very low | 30.4 | Very low | 185.6 Ų | 185.6 | 124.6 Ų | 124.6 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | 60.3 | 140.4 | 156.8 | -67.2 | 164.1 | -27.1 | 0 | 0 | 120.5 | ||||
| 2429 | G | 30.3 | Very low | 30.4 | Very low | 64.8 Ų | 64.8 | 130.7 Ų | 130.7 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | cis | 158.3 | 152.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2430 | R | 30.9 | Very low | 30.3 | Very low | 228.6 Ų | 228.6 | 133.9 Ų | 133.9 | 86% | 0.863 | 75% | 0.748 | S | S | * | * | trans | 91.2 | 127.7 | 167.9 | -85.5 | 179.8 | 131.9 | 105.4 | -1.8 | 117.4 | ||||
| 2431 | N | 29.8 | Very low | 30.3 | Very low | 125.4 Ų | 125.4 | 133.6 Ų | 133.6 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | 94.8 | 140.1 | 91.3 | -74.2 | 26.3 | 0 | 0 | 0 | 115.2 | |||||
| 2432 | T | 31.1 | Very low | 30.1 | Very low | 120.2 Ų | 120.2 | 133.2 Ų | 133.2 | 74% | 0.737 | 75% | 0.753 | S | S | * | * | 109.6 | 141.3 | 94.2 | 54.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 2433 | S | 30.1 | Very low | 30 | Very low | 104.2 Ų | 104.2 | 134 Ų | 134 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | trans | 115.4 | 147.8 | 130.2 | 50.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2434 | S | 29.9 | Very low | 29.9 | Very low | 99.8 Ų | 99.8 | 133 Ų | 133 | 70% | 0.698 | 75% | 0.75 | S | S | * | * | trans | 76.9 | 143.1 | 144.1 | 69.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2435 | L | 30.8 | Very low | 29.8 | Very low | 155.8 Ų | 155.8 | 134.2 Ų | 134.2 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | 110.4 | 152.2 | 139.9 | -77 | 170.5 | 0 | 0 | 0 | 116.6 | ||||
| 2436 | L | 30 | Very low | 29.7 | Very low | 144.8 Ų | 144.8 | 135.5 Ų | 135.5 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | 13.4 | 144.6 | 175.4 | -91 | 76.4 | 0 | 0 | 0 | 116.4 | ||||
| 2437 | S | 29.4 | Very low | 29.6 | Very low | 113.4 Ų | 113.4 | 134.4 Ų | 134.4 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | 113.1 | 136.3 | 108.4 | -81.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 2438 | G | 29.5 | Very low | 29.4 | Very low | 73.4 Ų | 73.4 | 136.5 Ų | 136.5 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | 155.2 | 138.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2439 | R | 28.5 | Very low | 29.2 | Very low | 228.6 Ų | 228.6 | 134.4 Ų | 134.4 | 86% | 0.863 | 75% | 0.752 | S | S | * | * | trans | 160.4 | 144.7 | 160.1 | -89.2 | -179.2 | 178.7 | -165.6 | 1.4 | 114.5 | D3125 | R2439-D3125 IonicContact CZ-OD2 2.7Å; R2439-D3125 IonicContact NH1-OD2 2.79Å; R2439-D3125 PolarHBondContact NH1-OD2 3.14Å | ||
| 2440 | R | 28.1 | Very low | 29.1 | Very low | 216.6 Ų | 216.6 | 138.1 Ų | 138.1 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 52 | 113.3 | 140.5 | -65.8 | -179.5 | 166.8 | -97.7 | 3.1 | 116.9 | S3126 S3128 | R2440-S3126 WeakPolarHBondContact CB-OG 3.16Å; R2440-S3126 PolarHBondContact O-OG 3.22Å; R2440-S3126 VanDerWaalsContact O-OG 3.11Å; R2440-S3128 PolarHBondContact NE-OG 3.28Å; R2440-S3128 VanDerWaalsContact NH2-CB 3.35Å | ||
| 2441 | S | 29.1 | Very low | 29 | Very low | 107.2 Ų | 107.2 | 132.4 Ų | 132.4 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | -150.2 | 141.7 | 139.3 | 72.6 | 0 | 0 | 0 | 0 | 109.6 | S3126 | S2441-S3126 WeakPolarHBondContact CA-OG 3.18Š| ||
| 2442 | V | 29.2 | Very low | 29 | Very low | 122.4 Ų | 122.4 | 130.5 Ų | 130.5 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -24.8 | 121.6 | 131.3 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2443 | Q | 26.9 | Very low | 28.9 | Very low | 158.8 Ų | 158.8 | 130.8 Ų | 130.8 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -122.9 | 139.3 | 158.1 | -141.1 | 65.1 | 38.1 | 0 | 0 | 111.2 | V2445 R3124 | Q2443-V2445 HydrophobicContact CG-CG2 3.67Å; Q2443-R3124 VanDerWaalsContact OE1-CZ 3.23Å | ||
| 2444 | S | 28.2 | Very low | 28.7 | Very low | 94.8 Ų | 94.8 | 131.3 Ų | 131.3 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | trans | -107.1 | 142.2 | 160.5 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2445 | V | 28.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | trans | -129.6 | 140.1 | 158.2 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Q2443 | Q2443-V2445 HydrophobicContact CG-CG2 3.67Š| ||
| 2446 | I | 28.8 | Very low | 28.5 | Very low | 148.4 Ų | 148.4 | 129.2 Ų | 129.2 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -99.5 | 121.6 | 171.2 | -59.9 | 152.4 | 0 | 0 | 0 | 109.8 | L2448 | I2446-L2448 HydrophobicContact CG2-CD1 3.92Å; I2446-L2448 HydrophobicContact CG2-CG 3.96Å | ||
| 2447 | S | 28.2 | Very low | 28.5 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | -165.1 | 113.9 | 129.3 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 2448 | L | 27.3 | Very low | 28.4 | Very low | 152.2 Ų | 152.2 | 128.4 Ų | 128.4 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | 57.8 | 94.3 | 84.7 | -60.4 | 174.7 | 0 | 0 | 0 | 113.3 | I2446 | I2446-L2448 HydrophobicContact CG2-CD1 3.92Å; I2446-L2448 HydrophobicContact CG2-CG 3.96Å | |||
| 2449 | L | 29.5 | Very low | 28.3 | Very low | 140.8 Ų | 140.8 | 131.7 Ų | 131.7 | 74% | 0.737 | 75% | 0.747 | S | S | * | * | -159.5 | 136.2 | 80.5 | -138 | 75.3 | 0 | 0 | 0 | 113.1 | T2451 | L2449-T2451 HydrophobicContact CB-CG2 4.43Å; L2449-T2451 HydrophobicContact CD1-CG2 3.68Å; L2449-T2451 HydrophobicContact CD2-CG2 4.2Å; L2449-T2451 WeakPolarHBondContact CD2-OG1 2.99Å; L2449-T2451 HydrophobicContact CG-CG2 3.86Å | |||
| 2450 | N | 27.5 | Very low | 28.2 | Very low | 142.4 Ų | 142.4 | 126.6 Ų | 126.6 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | 44.3 | 136.5 | 144 | -128.6 | 23.2 | 0 | 0 | 0 | 115.8 | ||||
| 2451 | T | 28.3 | Very low | 28.1 | Very low | 108.8 Ų | 108.8 | 123 Ų | 123 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | -146.1 | 139.8 | 117.1 | 23.7 | 0 | 0 | 0 | 0 | 112.9 | L2449 T2548 V2549 | L2449-T2451 HydrophobicContact CB-CG2 4.43Å; L2449-T2451 HydrophobicContact CD1-CG2 3.68Å; L2449-T2451 HydrophobicContact CD2-CG2 4.2Å; L2449-T2451 WeakPolarHBondContact CD2-OG1 2.99Å; L2449-T2451 HydrophobicContact CG-CG2 3.86Å; T2451-T2548 WeakPolarHBondContact CB-O 3.45Å; T2451-T2548 VanDerWaalsContact CG2-O 3.22Å; T2451-T2548 WeakPolarHBondContact CG2-O 3.5Å; T2451-V2549 HydrophobicContact CG2-CB 3.92Å; T2451-V2549 HydrophobicContact CG2-CG2 3.25Å | |||
| 2452 | S | 29.4 | Very low | 28 | Very low | 85.8 Ų | 85.8 | 122.9 Ų | 122.9 | 60% | 0.6 | 74% | 0.735 | S | S | * | * | trans | -129.2 | 138.6 | 168 | 53.6 | 0 | 0 | 0 | 0 | 115.2 | L2547 T2548 V2549 | S2452-L2547 WeakPolarHBondContact OG-CA 3.21Å; S2452-L2547 PolarHBondContact OG-N 2.91Å; S2452-T2548 CarbonylContact C-O 3.47Å; S2452-T2548 WeakPolarHBondContact CA-O 3.42Å; S2452-T2548 PolarHBondContact N-O 2.96Å; S2452-T2548 CarbonylContact O-C 3.44Å; S2452-T2548 WeakPolarHBondContact OG-CA 3.46Å; S2452-T2548 PolarHBondContact OG-N 3.44Å; S2452-T2548 PolarHBondContact OG-O 2.82Å; S2452-V2549 CarbonylContact O-C 3.39Å; S2452-V2549 PolarHBondContact O-N 2.97Å | ||
| 2453 | T | 29.3 | Very low | 27.9 | Very low | 126.2 Ų | 126.2 | 122.2 Ų | 122.2 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | -126.3 | 140.9 | 123.6 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | A2455 V2549 | T2453-A2455 PolarHBondContact O-N 3.5Å; T2453-V2549 WeakPolarHBondContact CG2-O 3.22Å | |||
| 2454 | S | 27 | Very low | 28.1 | Very low | 115.6 Ų | 115.6 | 121.1 Ų | 121.1 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | 68.8 | 108 | 122.1 | 145.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2455 | A | 29 | Very low | 28.1 | Very low | 90.2 Ų | 90.2 | 120 Ų | 120 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -155.3 | 119.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109 | T2453 P2457 | T2453-A2455 PolarHBondContact O-N 3.5Å; A2455-P2457 VanDerWaalsContact O-CD 3.29Å; A2455-P2457 WeakPolarHBondContact O-CD 3.38Å | ||
| 2456 | T | 26.6 | Very low | 28.1 | Very low | 121.4 Ų | 121.4 | 121.4 Ų | 121.4 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -88.6 | 130.4 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | T2458 | T2456-T2458 VanDerWaalsContact C-N 3.3Å; T2456-T2458 PolarHBondContact O-N 3.05Å | ||
| 2457 | P | 30.2 | Very low | 28.1 | Very low | 126.6 Ų | 126.6 | 120.1 Ų | 120.1 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -98.5 | 107.2 | 143.3 | 31.9 | -28.7 | 0 | 0 | 0 | 111 | A2455 L2459 | A2455-P2457 VanDerWaalsContact O-CD 3.29Å; A2455-P2457 WeakPolarHBondContact O-CD 3.38Å; P2457-L2459 PolarHBondContact O-N 3.06Å | ||
| 2458 | T | 27.4 | Very low | 28.1 | Very low | 113.4 Ų | 113.4 | 120.2 Ų | 120.2 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | trans | -61 | 126.2 | 161.4 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | T2456 V2460 | T2456-T2458 VanDerWaalsContact C-N 3.3Å; T2456-T2458 PolarHBondContact O-N 3.05Å; T2458-V2460 HydrophobicContact CG2-CG2 4.38Å; T2458-V2460 PolarHBondContact O-N 3.2Å | ||
| 2459 | L | 26.3 | Very low | 28.2 | Very low | 143.4 Ų | 143.4 | 119.9 Ų | 119.9 | 75% | 0.751 | 75% | 0.746 | S | S | * | * | trans | -50.7 | 111 | 169.1 | -119.3 | 163.5 | 0 | 0 | 0 | 113.6 | P2457 I2461 | P2457-L2459 PolarHBondContact O-N 3.06Å; L2459-I2461 HydrophobicContact CD1-CD1 4.4Å; L2459-I2461 HydrophobicContact CD2-CD1 4.23Å; L2459-I2461 HydrophobicContact CD2-CG1 4.05Å; L2459-I2461 PolarHBondContact O-N 3.05Å | ||
| 2460 | V | 27.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -99.5 | 117 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | T2458 S2462 | T2458-V2460 HydrophobicContact CG2-CG2 4.38Å; T2458-V2460 PolarHBondContact O-N 3.2Å; V2460-S2462 VanDerWaalsContact C-N 3.33Å; V2460-S2462 WeakPolarHBondContact CG1-OG 3.41Å; V2460-S2462 PolarHBondContact O-N 3.08Å; V2460-S2462 VanDerWaalsContact O-N 3.07Å | ||
| 2461 | I | 26.3 | Very low | 28.6 | Very low | 140.8 Ų | 140.8 | 118.6 Ų | 118.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -79.4 | 107.6 | 165.9 | -55.9 | 172.9 | 0 | 0 | 0 | 110.2 | L2459 S2463 | L2459-I2461 HydrophobicContact CD1-CD1 4.4Å; L2459-I2461 HydrophobicContact CD2-CD1 4.23Å; L2459-I2461 HydrophobicContact CD2-CG1 4.05Å; L2459-I2461 PolarHBondContact O-N 3.05Å; I2461-S2463 PolarHBondContact O-N 3.14Å | ||
| 2462 | S | 27.4 | Very low | 28.7 | Very low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -122 | 114.8 | 168.1 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | V2460 T2464 | V2460-S2462 VanDerWaalsContact C-N 3.33Å; V2460-S2462 WeakPolarHBondContact CG1-OG 3.41Å; V2460-S2462 PolarHBondContact O-N 3.08Å; V2460-S2462 VanDerWaalsContact O-N 3.07Å; S2462-T2464 PolarHBondContact O-N 3.13Å | ||
| 2463 | S | 26.5 | Very low | 29 | Very low | 108.2 Ų | 108.2 | 119.7 Ų | 119.7 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -117 | 118.7 | -162.6 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | I2461 | I2461-S2463 PolarHBondContact O-N 3.14Š| ||
| 2464 | T | 29.8 | Very low | 29.2 | Very low | 136.8 Ų | 136.8 | 118.8 Ų | 118.8 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -111 | 136.3 | 165.2 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | S2462 | S2462-T2464 PolarHBondContact O-N 3.13Š| ||
| 2465 | G | 29 | Very low | 29.4 | Very low | 71.8 Ų | 71.8 | 121.8 Ų | 121.8 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | -164.8 | 124.4 | 127.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V2467 | G2465-V2467 PolarHBondContact O-N 2.83Š| |||
| 2466 | N | 27.9 | Very low | 29.5 | Very low | 153.8 Ų | 153.8 | 123.9 Ų | 123.9 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -23.2 | 143.4 | 161.3 | -89.1 | 6.6 | 0 | 0 | 0 | 117.1 | ||||
| 2467 | V | 29.4 | Very low | 29.7 | Very low | 121.2 Ų | 121.2 | 124.2 Ų | 124.2 | 74% | 0.735 | 77% | 0.772 | S | S | * | * | trans | 151.7 | 136.8 | 132 | -176.5 | 0 | 0 | 0 | 0 | 114.8 | G2465 | G2465-V2467 PolarHBondContact O-N 2.83Š| ||
| 2468 | S | 29 | Very low | 29.7 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 104.4 | 124.5 | 143.3 | 60.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2469 | N | 28.8 | Very low | 29.8 | Very low | 145.8 Ų | 145.8 | 124.4 Ų | 124.4 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 33.9 | 127 | 138.1 | -57.6 | -12.2 | 0 | 0 | 0 | 119.5 | ||||
| 2470 | T | 31.4 | Very low | 30 | Very low | 138.2 Ų | 138.2 | 124.5 Ų | 124.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | 152.7 | 150.2 | 125.2 | 27.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2471 | P | 33 | Very low | 30.2 | Very low | 118.2 Ų | 118.2 | 123.2 Ų | 123.2 | 77% | 0.768 | 77% | 0.773 | S | S | * | * | trans | -118.2 | 148.3 | -153.5 | 38.6 | -28.1 | 0 | 0 | 0 | 115.5 | ||||
| 2472 | A | 31.3 | Very low | 30.3 | Very low | 95.6 Ų | 95.6 | 122.6 Ų | 122.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 110.7 | 161.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2473 | P | 35.8 | Very low | 30.4 | Very low | 121.6 Ų | 121.6 | 123.1 Ų | 123.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | -116.7 | 166.5 | -101.2 | 38.5 | -26.2 | 0 | 0 | 0 | 113.8 | |||||
| 2474 | S | 33.8 | Very low | 30.6 | Very low | 107.8 Ų | 107.8 | 122.9 Ų | 122.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -172.6 | 136.8 | 136.3 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2475 | E | 29.9 | Very low | 30.6 | Very low | 178.6 Ų | 178.6 | 123.1 Ų | 123.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | -32 | 141.3 | 123.9 | -65.9 | -176.5 | 153 | 0 | 0 | 114.9 | |||||
| 2476 | T | 32.3 | Very low | 30.6 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | -159 | 147.8 | 110.3 | -17.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 2477 | V | 30.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -120.4 | 145.1 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2478 | V | 29.7 | Very low | 30.9 | Very low | 128.8 Ų | 128.8 | 121.9 Ų | 121.9 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -157.8 | 121.2 | 157.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | N2480 | V2478-N2480 PolarHBondContact O-N 2.89Š| ||
| 2479 | T | 30.8 | Very low | 31.1 | Very low | 114.6 Ų | 114.6 | 122.5 Ų | 122.5 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -112.2 | 138.5 | 155.7 | 39.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2480 | N | 30 | Very low | 31.5 | Very low | 145.6 Ų | 145.6 | 120.3 Ų | 120.3 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | 160.2 | 132.6 | 95.1 | -82.2 | -0.4 | 0 | 0 | 0 | 113.5 | V2478 | V2478-N2480 PolarHBondContact O-N 2.89Š| |||
| 2481 | A | 30.6 | Very low | 32 | Very low | 94.4 Ų | 94.4 | 117.3 Ų | 117.3 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | -121.7 | 132.7 | 121.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2482 | T | 29.9 | Very low | 32.6 | Very low | 129.6 Ų | 129.6 | 116 Ų | 116 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | trans | -150 | 138.7 | 173.3 | 35.1 | 0 | 0 | 0 | 0 | 111.9 | S2484 | T2482-S2484 PolarHBondContact O-N 3.32Å; T2482-S2484 VanDerWaalsContact O-N 3.14Å | ||
| 2483 | S | 30 | Very low | 33.5 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -158.4 | 108.8 | 161.5 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | D2784 | S2483-D2784 PolarHBondContact OG-OD1 3.03Å; S2483-D2784 PolarHBondContact OG-OD2 2.83Å | ||
| 2484 | S | 28.7 | Very low | 34.3 | Very low | 104.2 Ų | 104.2 | 114.8 Ų | 114.8 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | trans | -124.8 | 129.2 | 142.1 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | T2482 T2486 | T2482-S2484 PolarHBondContact O-N 3.32Å; T2482-S2484 VanDerWaalsContact O-N 3.14Å; S2484-T2486 PolarHBondContact O-N 2.85Å | ||
| 2485 | V | 30.4 | Very low | 35.5 | Very low | 140.4 Ų | 140.4 | 111.5 Ų | 111.5 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | trans | -95 | 118.5 | 177.7 | 165.5 | 0 | 0 | 0 | 0 | 110.1 | T2487 | V2485-T2487 PolarHBondContact O-N 3.32Š| ||
| 2486 | T | 28.6 | Very low | 37.1 | Very low | 117.8 Ų | 117.8 | 105.3 Ų | 105.3 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | trans | -81.8 | 125 | 174 | 46 | 0 | 0 | 0 | 0 | 113.4 | S2484 | S2484-T2486 PolarHBondContact O-N 2.85Š| ||
| 2487 | T | 32.5 | Very low | 38.8 | Very low | 100.4 Ų | 100.4 | 102.7 Ų | 102.7 | 62% | 0.616 | 65% | 0.647 | S | S | * | * | trans | -105.4 | 135.6 | 162.7 | 47.4 | 0 | 0 | 0 | 0 | 111.2 | V2485 T2489 V2490 | V2485-T2487 PolarHBondContact O-N 3.32Å; T2487-T2489 PolarHBondContact O-N 3.11Å; T2487-T2489 VanDerWaalsContact O-N 3.16Å; T2487-V2490 HydrophobicContact CG2-CG2 4.15Å; T2487-V2490 PolarHBondContact O-N 3.4Å; T2487-V2490 WeakPolarHBondContact OG1-CG2 3.3Å | ||
| 2488 | P | 31.7 | Very low | 40.9 | Very low | 103.6 Ų | 103.6 | 99.1 Ų | 99.1 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | trans | -73.3 | 75.1 | -174.1 | 27.9 | -34.4 | 0 | 0 | 0 | 113.4 | V2490 | P2488-V2490 PolarHBondContact O-N 3.03Š| ||
| 2489 | T | 34.2 | Very low | 43.2 | Very low | 111.2 Ų | 111.2 | 95.7 Ų | 95.7 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80.7 | 13.6 | -172.2 | 43.4 | 0 | 0 | 0 | 0 | 115.1 | T2487 T2492 N2493 | T2487-T2489 PolarHBondContact O-N 3.11Å; T2487-T2489 VanDerWaalsContact O-N 3.16Å; T2489-T2492 PolarHBondContact O-OG1 3.11Å; T2489-N2493 PolarHBondContact O-ND2 3.34Å |
| 2490 | V | 36.9 | Very low | 45.6 | Very low | 100.2 Ų | 100.2 | 92.4 Ų | 92.4 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -97.8 | -22.3 | -175.4 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | T2487 P2488 T2492 N2493 V2494 | T2487-V2490 HydrophobicContact CG2-CG2 4.15Å; T2487-V2490 PolarHBondContact O-N 3.4Å; T2487-V2490 WeakPolarHBondContact OG1-CG2 3.3Å; P2488-V2490 PolarHBondContact O-N 3.03Å; V2490-T2492 VanDerWaalsContact C-N 3.32Å; V2490-T2492 PolarHBondContact O-N 3.28Å; V2490-N2493 PolarHBondContact O-N 3.16Å; V2490-V2494 PolarHBondContact O-N 3.11Å; V2490-V2494 VanDerWaalsContact O-N 3.16Å |
| 2491 | S | 40.9 | Very low | 48.2 | Very low | 74.8 Ų | 74.8 | 87.2 Ų | 87.2 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -84.9 | -15.8 | -176.8 | -52.6 | 0 | 0 | 0 | 0 | 114.9 | N2493 V2494 G2495 | S2491-N2493 PolarHBondContact O-N 3.1Å; S2491-V2494 PolarHBondContact O-N 2.94Å; S2491-G2495 PolarHBondContact O-N 3.2Å; S2491-G2495 VanDerWaalsContact O-N 3.15Å |
| 2492 | T | 46.7 | Very low | 50.8 | Low | 91.6 Ų | 91.6 | 84.1 Ų | 84.1 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | -176.1 | 48 | 0 | 0 | 0 | 0 | 113.1 | T2489 V2490 V2494 G2495 C2496 | T2489-T2492 PolarHBondContact O-OG1 3.11Å; V2490-T2492 VanDerWaalsContact C-N 3.32Å; V2490-T2492 PolarHBondContact O-N 3.28Å; T2492-V2494 PolarHBondContact O-N 3.1Å; T2492-G2495 PolarHBondContact O-N 3.28Å; T2492-C2496 PolarHBondContact O-N 3.22Å; T2492-C2496 VanDerWaalsContact O-N 3.08Å; T2492-C2496 PolarHBondContact O-SG 3.06Å; T2492-C2496 VanDerWaalsContact O-SG 3.33Å |
| 2493 | N | 49.3 | Very low | 53.5 | Low | 108.2 Ų | 108.2 | 82.7 Ų | 82.7 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | -177.2 | -72.5 | -21.2 | 0 | 0 | 0 | 113 | T2489 V2490 S2491 G2495 C2496 I2497 | T2489-N2493 PolarHBondContact O-ND2 3.34Å; V2490-N2493 PolarHBondContact O-N 3.16Å; S2491-N2493 PolarHBondContact O-N 3.1Å; N2493-G2495 VanDerWaalsContact C-N 3.32Å; N2493-G2495 PolarHBondContact O-N 2.89Å; N2493-C2496 WeakPolarHBondContact O-CB 3.26Å; N2493-C2496 PolarHBondContact O-N 3.24Å; N2493-C2496 VanDerWaalsContact O-N 3.16Å; N2493-I2497 WeakPolarHBondContact O-CG1 3.41Å; N2493-I2497 PolarHBondContact O-N 3.05Å; N2493-I2497 VanDerWaalsContact O-N 3.15Å |
| 2494 | V | 52.3 | Low | 56.3 | Low | 82.4 Ų | 82.4 | 80 Ų | 80 | 50% | 0.499 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | V2490 S2491 T2492 C2496 I2497 M2498 | V2490-V2494 PolarHBondContact O-N 3.11Å; V2490-V2494 VanDerWaalsContact O-N 3.16Å; S2491-V2494 PolarHBondContact O-N 2.94Å; T2492-V2494 PolarHBondContact O-N 3.1Å; V2494-C2496 VanDerWaalsContact C-N 3.32Å; V2494-C2496 PolarHBondContact O-N 3.2Å; V2494-I2497 PolarHBondContact O-N 3.01Å; V2494-M2498 WeakPolarHBondContact O-CG 3.32Å; V2494-M2498 PolarHBondContact O-N 3.22Å; V2494-M2498 VanDerWaalsContact O-N 3.12Å |
| 2495 | G | 59.1 | Low | 59.3 | Low | 38.2 Ų | 38.2 | 75.5 Ų | 75.5 | 39% | 0.394 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | S2491 T2492 N2493 I2497 M2498 T2499 | S2491-G2495 PolarHBondContact O-N 3.2Å; S2491-G2495 VanDerWaalsContact O-N 3.15Å; T2492-G2495 PolarHBondContact O-N 3.28Å; N2493-G2495 VanDerWaalsContact C-N 3.32Å; N2493-G2495 PolarHBondContact O-N 2.89Å; G2495-I2497 PolarHBondContact O-N 3.18Å; G2495-M2498 PolarHBondContact O-N 3Å; G2495-T2499 WeakPolarHBondContact O-CB 3.31Å; G2495-T2499 WeakPolarHBondContact O-CG2 3.37Å; G2495-T2499 PolarHBondContact O-N 3.07Å; G2495-T2499 VanDerWaalsContact O-N 3.08Å; G2495-T2499 PolarHBondContact O-OG1 3.04Å |
| 2496 | C | 63 | Low | 62 | Low | 49.6 Ų | 49.6 | 70.9 Ų | 70.9 | 34% | 0.335 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.4 | -104.8 | 0 | 0 | 0 | 0 | 112.5 | P1806 C1807 T2492 N2493 V2494 M2498 T2499 T2500 | P1806-C2496 HydrophobicContact CB-CB 3.74Å; C1807-C2496 WeakPolarHBondContact O-CA 3.29Å; C1807-C2496 WeakPolarHBondContact O-CB 3.43Å; T2492-C2496 PolarHBondContact O-N 3.22Å; T2492-C2496 VanDerWaalsContact O-N 3.08Å; T2492-C2496 PolarHBondContact O-SG 3.06Å; T2492-C2496 VanDerWaalsContact O-SG 3.33Å; N2493-C2496 WeakPolarHBondContact O-CB 3.26Å; N2493-C2496 PolarHBondContact O-N 3.24Å; N2493-C2496 VanDerWaalsContact O-N 3.16Å; V2494-C2496 VanDerWaalsContact C-N 3.32Å; V2494-C2496 PolarHBondContact O-N 3.2Å; C2496-M2498 PolarHBondContact O-N 3.43Å; C2496-T2499 WeakPolarHBondContact CA-OG1 3.46Å; C2496-T2499 WeakPolarHBondContact O-CB 3.42Å; C2496-T2499 PolarHBondContact O-N 3.15Å; C2496-T2499 PolarHBondContact O-OG1 3.19Å; C2496-T2499 VanDerWaalsContact O-OG1 3.09Å; C2496-T2500 WeakPolarHBondContact O-CB 3.4Å; C2496-T2500 WeakPolarHBondContact O-CG2 3.29Å; C2496-T2500 PolarHBondContact O-N 2.95Å; C2496-T2500 PolarHBondContact O-OG1 3.13Å; C2496-T2500 VanDerWaalsContact O-OG1 3.08Å |
| 2497 | I | 70 | Confident | 64.9 | Low | 78.8 Ų | 78.8 | 67.6 Ų | 67.6 | 40% | 0.404 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 177.9 | -63.9 | 166.7 | 0 | 0 | 0 | 110.8 | V1804 P1806 N2493 V2494 G2495 T2499 T2500 Q2501 | V1804-I2497 HydrophobicContact CB-CG2 4.31Å; V1804-I2497 HydrophobicContact CG1-CG2 4.35Å; P1806-I2497 HydrophobicContact CB-CG1 3.89Å; P1806-I2497 HydrophobicContact CG-CD1 4.18Å; P1806-I2497 HydrophobicContact CG-CG1 3.71Å; N2493-I2497 WeakPolarHBondContact O-CG1 3.41Å; N2493-I2497 PolarHBondContact O-N 3.05Å; N2493-I2497 VanDerWaalsContact O-N 3.15Å; V2494-I2497 PolarHBondContact O-N 3.01Å; G2495-I2497 PolarHBondContact O-N 3.18Å; I2497-T2499 VanDerWaalsContact C-N 3.31Å; I2497-T2499 PolarHBondContact O-N 3.25Å; I2497-T2500 PolarHBondContact O-N 3.16Å; I2497-T2500 PolarHBondContact O-OG1 3.21Å; I2497-T2500 VanDerWaalsContact O-OG1 3.09Å; I2497-Q2501 HydrophobicContact CG2-CG 4.41Å; I2497-Q2501 VanDerWaalsContact O-CB 3.3Å; I2497-Q2501 WeakPolarHBondContact O-CB 3.29Å; I2497-Q2501 WeakPolarHBondContact O-CG 3.35Å; I2497-Q2501 PolarHBondContact O-N 3.1Å |
| 2498 | M | 72.7 | Confident | 67.7 | Low | 51.8 Ų | 51.8 | 64.5 Ų | 64.5 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 179.5 | -69.2 | -64.4 | 141.7 | 0 | 0 | 112.3 | V2494 G2495 C2496 V2502 V2793 | V2494-M2498 WeakPolarHBondContact O-CG 3.32Å; V2494-M2498 PolarHBondContact O-N 3.22Å; V2494-M2498 VanDerWaalsContact O-N 3.12Å; G2495-M2498 PolarHBondContact O-N 3Å; C2496-M2498 PolarHBondContact O-N 3.43Å; M2498-V2502 VanDerWaalsContact O-CG2 3.31Å; M2498-V2502 WeakPolarHBondContact O-CG2 3.38Å; M2498-V2502 PolarHBondContact O-N 3.05Å; M2498-V2502 VanDerWaalsContact O-N 3.13Å; M2498-V2793 HydrophobicContact CE-CG1 4.25Å; M2498-V2793 HydrophobicContact SD-CB 4.45Å; M2498-V2793 HydrophobicContact SD-CG1 4.03Å |
| 2499 | T | 78.5 | Confident | 70.5 | Confident | 58.8 Ų | 58.8 | 59.9 Ų | 59.9 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 175.2 | 35.3 | 0 | 0 | 0 | 0 | 112.1 | P1809 G2495 C2496 I2497 Q2501 V2502 Y2503 | P1809-T2499 HydrophobicContact CB-CG2 4.16Å; G2495-T2499 WeakPolarHBondContact O-CB 3.31Å; G2495-T2499 WeakPolarHBondContact O-CG2 3.37Å; G2495-T2499 PolarHBondContact O-N 3.07Å; G2495-T2499 VanDerWaalsContact O-N 3.08Å; G2495-T2499 PolarHBondContact O-OG1 3.04Å; C2496-T2499 WeakPolarHBondContact CA-OG1 3.46Å; C2496-T2499 WeakPolarHBondContact O-CB 3.42Å; C2496-T2499 PolarHBondContact O-N 3.15Å; C2496-T2499 PolarHBondContact O-OG1 3.19Å; C2496-T2499 VanDerWaalsContact O-OG1 3.09Å; I2497-T2499 VanDerWaalsContact C-N 3.31Å; I2497-T2499 PolarHBondContact O-N 3.25Å; T2499-Q2501 VanDerWaalsContact C-N 3.33Å; T2499-Q2501 PolarHBondContact O-N 3.01Å; T2499-V2502 PolarHBondContact O-N 3.12Å; T2499-Y2503 HydrophobicContact CG2-CD2 3.85Å; T2499-Y2503 HydrophobicContact CG2-CE2 3.19Å; T2499-Y2503 VanDerWaalsContact O-CD2 3.27Å; T2499-Y2503 WeakPolarHBondContact O-CD2 3.35Å; T2499-Y2503 VanDerWaalsContact O-CG 3.24Å; T2499-Y2503 PolarHBondContact O-N 3.23Å; T2499-Y2503 VanDerWaalsContact O-N 3.1Å |
| 2500 | T | 81.7 | Confident | 73.1 | Confident | 44.8 Ų | 44.8 | 56 Ų | 56 | 28% | 0.275 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.6 | 12.7 | 0 | 0 | 0 | 0 | 112.1 | V1804 R1805 C1807 L1947 C2496 I2497 V2502 Y2503 L2504 | V1804-T2500 HydrophobicContact CG1-CG2 3.49Å; V1804-T2500 VanDerWaalsContact CG1-CG2 3.44Å; R1805-T2500 PolarHBondContact O-OG1 3.17Å; C1807-T2500 VanDerWaalsContact CB-OG1 3.29Å; C1807-T2500 WeakPolarHBondContact CB-OG1 3.3Å; C1807-T2500 PolarHBondContact N-OG1 2.99Å; C1807-T2500 VanDerWaalsContact N-OG1 3.08Å; L1947-T2500 HydrophobicContact CD1-CG2 3.89Å; C2496-T2500 WeakPolarHBondContact O-CB 3.4Å; C2496-T2500 WeakPolarHBondContact O-CG2 3.29Å; C2496-T2500 PolarHBondContact O-N 2.95Å; C2496-T2500 PolarHBondContact O-OG1 3.13Å; C2496-T2500 VanDerWaalsContact O-OG1 3.08Å; I2497-T2500 PolarHBondContact O-N 3.16Å; I2497-T2500 PolarHBondContact O-OG1 3.21Å; I2497-T2500 VanDerWaalsContact O-OG1 3.09Å; T2500-V2502 PolarHBondContact O-N 3.25Å; T2500-Y2503 PolarHBondContact O-N 2.95Å; T2500-L2504 HydrophobicContact CG2-CD1 3.9Å; T2500-L2504 HydrophobicContact CG2-CG 4.36Å; T2500-L2504 WeakPolarHBondContact O-CB 3.4Å; T2500-L2504 WeakPolarHBondContact O-CG 3.43Å; T2500-L2504 PolarHBondContact O-N 3.08Å |
| 2501 | Q | 84.9 | Confident | 75.7 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 174.6 | -137 | 177.5 | -4.5 | 0 | 0 | 111.7 | I1799 V1804 I2497 T2499 Y2503 L2504 C2505 H2796 | I1799-Q2501 HydrophobicContact CD1-CB 4.19Å; I1799-Q2501 HydrophobicContact CD1-CG 4.23Å; I1799-Q2501 HydrophobicContact CG1-CG 4.26Å; I1799-Q2501 HydrophobicContact CG2-CG 4.3Å; V1804-Q2501 HydrophobicContact CG1-CG 4.25Å; V1804-Q2501 HydrophobicContact CG2-CG 4.12Å; I2497-Q2501 HydrophobicContact CG2-CG 4.41Å; I2497-Q2501 VanDerWaalsContact O-CB 3.3Å; I2497-Q2501 WeakPolarHBondContact O-CB 3.29Å; I2497-Q2501 WeakPolarHBondContact O-CG 3.35Å; I2497-Q2501 PolarHBondContact O-N 3.1Å; T2499-Q2501 VanDerWaalsContact C-N 3.33Å; T2499-Q2501 PolarHBondContact O-N 3.01Å; Q2501-Y2503 VanDerWaalsContact C-N 3.34Å; Q2501-Y2503 PolarHBondContact O-N 3.03Å; Q2501-L2504 PolarHBondContact O-N 3.17Å; Q2501-C2505 VanDerWaalsContact O-CB 3.31Å; Q2501-C2505 WeakPolarHBondContact O-CB 3.39Å; Q2501-C2505 PolarHBondContact O-N 3.08Å; Q2501-C2505 PolarHBondContact O-SG 2.97Å; Q2501-H2796 HydrophobicContact CB-CB 3.87Å; Q2501-H2796 HydrophobicContact CG-CB 4.19Å; Q2501-H2796 PolarHBondContact NE2-CD2 2.8Å; Q2501-H2796 VanDerWaalsContact NE2-CD2 3.28Å; Q2501-H2796 PolarHBondContact NE2-CE1 3.31Å; Q2501-H2796 PolarHBondContact NE2-ND1 3.27Å; Q2501-H2796 PolarHBondContact NE2-NE2 3.08Å; Q2501-H2796 PolarHBondContact OE1-ND1 3.34Å |
| 2502 | V | 85.5 | Confident | 78.1 | Confident | 30.2 Ų | 30.2 | 51 Ų | 51 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 177.2 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | M2498 T2499 T2500 C2505 R2506 K2795 H2796 Y2799 | M2498-V2502 VanDerWaalsContact O-CG2 3.31Å; M2498-V2502 WeakPolarHBondContact O-CG2 3.38Å; M2498-V2502 PolarHBondContact O-N 3.05Å; M2498-V2502 VanDerWaalsContact O-N 3.13Å; T2499-V2502 PolarHBondContact O-N 3.12Å; T2500-V2502 PolarHBondContact O-N 3.25Å; V2502-C2505 PolarHBondContact O-N 3.49Å; V2502-R2506 VanDerWaalsContact O-CB 3.27Å; V2502-R2506 WeakPolarHBondContact O-CB 3.4Å; V2502-R2506 PolarHBondContact O-N 3.09Å; V2502-K2795 HydrophobicContact CG1-CD 4.37Å; V2502-K2795 HydrophobicContact CG1-CG 4.35Å; V2502-K2795 HydrophobicContact CG2-CB 4.07Å; V2502-K2795 HydrophobicContact CG2-CD 4.48Å; V2502-K2795 HydrophobicContact CG2-CG 4.33Å; V2502-H2796 HydrophobicContact CG2-CB 3.97Å; V2502-Y2799 HydrophobicContact CG1-CD2 4.22Å; V2502-Y2799 HydrophobicContact CG1-CE2 3.85Å |
| 2503 | Y | 86.3 | Confident | 80.1 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.4 | -70.9 | -53.5 | 0 | 0 | 0 | 112.8 | F1810 F1812 L1947 T2499 T2500 Q2501 R2506 T2507 | F1810-Y2503 HydrophobicContact CD1-CD2 4.43Å; F1810-Y2503 AromaticContact CD1-CE2 3.64Å; F1810-Y2503 HydrophobicContact CD1-CE2 3.84Å; F1810-Y2503 AromaticContact CD1-CZ 3.8Å; F1810-Y2503 HydrophobicContact CE1-CD1 4.43Å; F1810-Y2503 AromaticContact CE1-CD2 3.64Å; F1810-Y2503 HydrophobicContact CE1-CD2 3.64Å; F1810-Y2503 HydrophobicContact CE1-CE1 4.14Å; F1810-Y2503 AromaticContact CE1-CE2 3.39Å; F1810-Y2503 HydrophobicContact CE1-CE2 3.39Å; F1810-Y2503 HydrophobicContact CE1-CG 4.22Å; F1810-Y2503 AromaticContact CE1-CZ 3.54Å; F1810-Y2503 HydrophobicContact CE2-CE1 4.28Å; F1810-Y2503 HydrophobicContact CZ-CD1 4.23Å; F1810-Y2503 HydrophobicContact CZ-CD2 4.12Å; F1810-Y2503 AromaticContact CZ-CE1 3.9Å; F1810-Y2503 HydrophobicContact CZ-CE1 4.15Å; F1810-Y2503 AromaticContact CZ-CE2 3.85Å; F1810-Y2503 HydrophobicContact CZ-CE2 4.03Å; F1810-Y2503 HydrophobicContact CZ-CG 4.23Å; F1810-Y2503 AromaticContact CZ-CZ 3.78Å; F1810-Y2503 PolarHBondContact N-OH 2.82Å; F1810-Y2503 PolarHBondContact O-OH 3.2Å; F1812-Y2503 HydrophobicContact CE1-CD1 4.29Å; F1812-Y2503 AromaticContact CE1-CE1 3.99Å; F1812-Y2503 HydrophobicContact CE1-CE1 4.12Å; F1812-Y2503 HydrophobicContact CE2-CE1 4.3Å; F1812-Y2503 AromaticContact CZ-CD1 3.94Å; F1812-Y2503 HydrophobicContact CZ-CD1 4Å; F1812-Y2503 AromaticContact CZ-CE1 3.63Å; F1812-Y2503 HydrophobicContact CZ-CE1 3.63Å; L1947-Y2503 HydrophobicContact CD2-CD2 3.82Å; L1947-Y2503 HydrophobicContact CD2-CG 4.17Å; T2499-Y2503 HydrophobicContact CG2-CD2 3.85Å; T2499-Y2503 HydrophobicContact CG2-CE2 3.19Å; T2499-Y2503 VanDerWaalsContact O-CD2 3.27Å; T2499-Y2503 WeakPolarHBondContact O-CD2 3.35Å; T2499-Y2503 VanDerWaalsContact O-CG 3.24Å; T2499-Y2503 PolarHBondContact O-N 3.23Å; T2499-Y2503 VanDerWaalsContact O-N 3.1Å; T2500-Y2503 PolarHBondContact O-N 2.95Å; Q2501-Y2503 VanDerWaalsContact C-N 3.34Å; Q2501-Y2503 PolarHBondContact O-N 3.03Å; Y2503-R2506 WeakPolarHBondContact O-CB 3.42Å; Y2503-R2506 PolarHBondContact O-N 3.21Å; Y2503-T2507 WeakPolarHBondContact O-CG2 3.36Å; Y2503-T2507 PolarHBondContact O-N 3.05Å; Y2503-T2507 PolarHBondContact O-OG1 3.3Å |
| 2504 | L | 89.3 | Confident | 82 | Confident | 58.6 Ų | 58.6 | 45.3 Ų | 45.3 | 31% | 0.307 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.9 | -71.3 | 172 | 0 | 0 | 0 | 111.9 | L1795 I1799 L1947 M1951 T2500 Q2501 R2506 T2507 F2508 | L1795-L2504 HydrophobicContact CD2-CD2 4.35Å; I1799-L2504 HydrophobicContact CD1-CB 3.9Å; I1799-L2504 HydrophobicContact CD1-CD1 4.14Å; I1799-L2504 HydrophobicContact CG1-CD1 4.05Å; L1947-L2504 HydrophobicContact CD1-CD2 4.23Å; L1947-L2504 HydrophobicContact CD1-CG 4.42Å; M1951-L2504 HydrophobicContact CE-CD2 4.31Å; M1951-L2504 HydrophobicContact CG-CD2 3.56Å; M1951-L2504 VanDerWaalsContact CG-CD2 3.49Å; M1951-L2504 HydrophobicContact SD-CD2 3.62Å; T2500-L2504 HydrophobicContact CG2-CD1 3.9Å; T2500-L2504 HydrophobicContact CG2-CG 4.36Å; T2500-L2504 WeakPolarHBondContact O-CB 3.4Å; T2500-L2504 WeakPolarHBondContact O-CG 3.43Å; T2500-L2504 PolarHBondContact O-N 3.08Å; Q2501-L2504 PolarHBondContact O-N 3.17Å; L2504-R2506 VanDerWaalsContact C-N 3.32Å; L2504-R2506 PolarHBondContact O-N 3.15Å; L2504-T2507 PolarHBondContact O-N 3.18Å; L2504-T2507 VanDerWaalsContact O-N 3.16Å; L2504-T2507 PolarHBondContact O-OG1 3.15Å; L2504-T2507 VanDerWaalsContact O-OG1 3.06Å; L2504-F2508 WeakPolarHBondContact O-CB 3.25Å; L2504-F2508 PolarHBondContact O-N 2.98Å |
| 2505 | C | 90 | Very high | 83.8 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 175.7 | -65.1 | 0 | 0 | 0 | 0 | 112 | I1799 Q2501 V2502 T2507 A2509 H2796 I2800 | I1799-C2505 VanDerWaalsContact CD1-SG 3.57Å; Q2501-C2505 VanDerWaalsContact O-CB 3.31Å; Q2501-C2505 WeakPolarHBondContact O-CB 3.39Å; Q2501-C2505 PolarHBondContact O-N 3.08Å; Q2501-C2505 PolarHBondContact O-SG 2.97Å; V2502-C2505 PolarHBondContact O-N 3.49Å; C2505-T2507 VanDerWaalsContact C-N 3.35Å; C2505-T2507 PolarHBondContact O-N 2.66Å; C2505-A2509 VanDerWaalsContact O-CB 3.26Å; C2505-A2509 WeakPolarHBondContact O-CB 3.41Å; C2505-A2509 PolarHBondContact O-N 3.13Å; C2505-H2796 HydrophobicContact CB-CB 4.09Å; C2505-H2796 VanDerWaalsContact CB-O 3.32Å; C2505-H2796 WeakPolarHBondContact CB-O 3.23Å; C2505-H2796 PolarHBondContact SG-O 3.43Å; C2505-H2796 VanDerWaalsContact SG-O 3.37Å; C2505-I2800 HydrophobicContact CB-CD1 4.03Å; C2505-I2800 HydrophobicContact CB-CG1 3.96Å; C2505-I2800 VanDerWaalsContact SG-CD1 3.51Å |
| 2506 | R | 88.9 | Confident | 85.2 | Confident | 44.4 Ų | 44.4 | 41.2 Ų | 41.2 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 172.4 | 177.8 | -177.1 | 170.8 | 87.1 | 15.3 | 112 | S1749 L1752 V2502 Y2503 L2504 A2509 C2510 Y2799 E3030 | S1749-R2506 PolarHBondContact O-NE 3.43Å; S1749-R2506 PolarHBondContact O-NH2 3.19Å; S1749-R2506 VanDerWaalsContact O-NH2 3.15Å; L1752-R2506 PolarHBondContact O-NH2 3.05Å; V2502-R2506 VanDerWaalsContact O-CB 3.27Å; V2502-R2506 WeakPolarHBondContact O-CB 3.4Å; V2502-R2506 PolarHBondContact O-N 3.09Å; Y2503-R2506 WeakPolarHBondContact O-CB 3.42Å; Y2503-R2506 PolarHBondContact O-N 3.21Å; L2504-R2506 VanDerWaalsContact C-N 3.32Å; L2504-R2506 PolarHBondContact O-N 3.15Å; R2506-A2509 WeakPolarHBondContact O-CB 3.37Å; R2506-A2509 PolarHBondContact O-N 3.15Å; R2506-C2510 PolarHBondContact O-N 3.06Å; R2506-C2510 PolarHBondContact O-SG 3.12Å; R2506-C2510 VanDerWaalsContact O-SG 3.37Å; R2506-Y2799 HydrophobicContact CB-CD1 4.18Å; R2506-Y2799 HydrophobicContact CB-CD2 4.46Å; R2506-Y2799 HydrophobicContact CB-CE1 4.2Å; R2506-Y2799 HydrophobicContact CB-CE2 4.48Å; R2506-Y2799 HydrophobicContact CB-CG 4.31Å; R2506-Y2799 HydrophobicContact CG-CD1 4.1Å; R2506-Y2799 HydrophobicContact CG-CE1 3.78Å; R2506-Y2799 PolarHBondContact NH1-OH 3.02Å; R2506-E3030 IonicContact CZ-OE1 2.95Å; R2506-E3030 IonicContact CZ-OE2 3.18Å; R2506-E3030 VanDerWaalsContact NH1-CD 3.35Å; R2506-E3030 IonicContact NH1-OE1 3.03Å; R2506-E3030 PolarHBondContact NH1-OE1 2.77Å; R2506-E3030 IonicContact NH1-OE2 3.27Å; R2506-E3030 VanDerWaalsContact NH2-CD 3.27Å; R2506-E3030 IonicContact NH2-OE1 3.11Å; R2506-E3030 PolarHBondContact NH2-OE1 3.42Å; R2506-E3030 IonicContact NH2-OE2 2.97Å; R2506-E3030 PolarHBondContact NH2-OE2 3.38Å; R2506-E3030 VanDerWaalsContact NH2-OE2 3.14Å |
| 2507 | T | 89.3 | Confident | 86.3 | Confident | 48.8 Ų | 48.8 | 41.8 Ų | 41.8 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.3 | -37.2 | 178.9 | 14.4 | 0 | 0 | 0 | 0 | 112.2 | A1746 L1750 L1795 M1951 Y2503 L2504 C2505 A2509 C2510 L2511 | A1746-T2507 HydrophobicContact CB-CG2 3.56Å; L1750-T2507 WeakPolarHBondContact CD2-OG1 3.35Å; L1750-T2507 WeakPolarHBondContact CG-OG1 3.39Å; L1795-T2507 HydrophobicContact CD1-CG2 3.8Å; M1951-T2507 HydrophobicContact CE-CG2 3.83Å; Y2503-T2507 WeakPolarHBondContact O-CG2 3.36Å; Y2503-T2507 PolarHBondContact O-N 3.05Å; Y2503-T2507 PolarHBondContact O-OG1 3.3Å; L2504-T2507 PolarHBondContact O-N 3.18Å; L2504-T2507 VanDerWaalsContact O-N 3.16Å; L2504-T2507 PolarHBondContact O-OG1 3.15Å; L2504-T2507 VanDerWaalsContact O-OG1 3.06Å; C2505-T2507 VanDerWaalsContact C-N 3.35Å; C2505-T2507 PolarHBondContact O-N 2.66Å; T2507-A2509 VanDerWaalsContact C-N 3.31Å; T2507-A2509 PolarHBondContact O-N 3.14Å; T2507-C2510 WeakPolarHBondContact O-CB 3.46Å; T2507-C2510 PolarHBondContact O-N 3.15Å; T2507-C2510 VanDerWaalsContact O-N 3.17Å; T2507-L2511 WeakPolarHBondContact O-CG 3.47Å; T2507-L2511 PolarHBondContact O-N 3.06Å |
| 2508 | F | 91.5 | Very high | 87.1 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 168.3 | 176 | -104 | 0 | 0 | 0 | 111.8 | A1792 L1796 L2504 C2510 L2511 L2512 L2645 V2648 I2800 | A1792-F2508 HydrophobicContact CB-CD2 3.77Å; A1792-F2508 HydrophobicContact CB-CE2 4.1Å; A1792-F2508 VanDerWaalsContact O-CD2 3.3Å; A1792-F2508 WeakPolarHBondContact O-CD2 3.49Å; L1796-F2508 HydrophobicContact CD1-CD1 3.87Å; L1796-F2508 HydrophobicContact CD1-CD2 3.62Å; L1796-F2508 HydrophobicContact CD1-CE1 3.73Å; L1796-F2508 HydrophobicContact CD1-CE2 3.47Å; L1796-F2508 VanDerWaalsContact CD1-CE2 3.47Å; L1796-F2508 HydrophobicContact CD1-CG 3.8Å; L1796-F2508 HydrophobicContact CD1-CZ 3.51Å; L1796-F2508 HydrophobicContact CD2-CB 4.13Å; L1796-F2508 HydrophobicContact CD2-CD1 4.37Å; L1796-F2508 HydrophobicContact CD2-CD2 4.46Å; L1796-F2508 HydrophobicContact CD2-CG 4.08Å; L1796-F2508 HydrophobicContact CG-CB 4.3Å; L1796-F2508 HydrophobicContact CG-CD1 4.38Å; L1796-F2508 HydrophobicContact CG-CD2 3.79Å; L1796-F2508 HydrophobicContact CG-CE2 4.14Å; L1796-F2508 HydrophobicContact CG-CG 3.91Å; L2504-F2508 WeakPolarHBondContact O-CB 3.25Å; L2504-F2508 PolarHBondContact O-N 2.98Å; F2508-C2510 VanDerWaalsContact C-N 3.31Å; F2508-C2510 PolarHBondContact O-N 3.28Å; F2508-L2511 HydrophobicContact CD2-CD2 4.44Å; F2508-L2511 WeakPolarHBondContact O-CA 3.41Å; F2508-L2511 WeakPolarHBondContact O-CB 3.35Å; F2508-L2511 PolarHBondContact O-N 2.85Å; F2508-L2511 VanDerWaalsContact O-N 3.09Å; F2508-L2512 HydrophobicContact CD1-CD1 4.13Å; F2508-L2512 HydrophobicContact CD1-CG 4.3Å; F2508-L2512 HydrophobicContact CD2-CD1 4.49Å; F2508-L2512 HydrophobicContact CD2-CG 4.34Å; F2508-L2512 HydrophobicContact CE1-CD1 3.57Å; F2508-L2512 HydrophobicContact CE1-CD2 4.16Å; F2508-L2512 HydrophobicContact CE1-CG 4.03Å; F2508-L2512 HydrophobicContact CE2-CD1 3.77Å; F2508-L2512 HydrophobicContact CE2-CD2 4.37Å; F2508-L2512 HydrophobicContact CE2-CG 4.34Å; F2508-L2512 HydrophobicContact CZ-CD1 3.86Å; F2508-L2512 HydrophobicContact CZ-CD2 3.86Å; F2508-L2512 HydrophobicContact CZ-CG 4Å; F2508-L2512 WeakPolarHBondContact O-CB 3.28Å; F2508-L2512 PolarHBondContact O-N 3.19Å; F2508-L2645 HydrophobicContact CZ-CD2 4.49Å; F2508-V2648 HydrophobicContact CE1-CG1 3.91Å; F2508-V2648 HydrophobicContact CZ-CG1 4.14Å; F2508-V2648 HydrophobicContact CZ-CG2 4.09Å; F2508-I2800 HydrophobicContact CD1-CB 4.46Å; F2508-I2800 HydrophobicContact CD1-CD1 4.37Å; F2508-I2800 HydrophobicContact CD1-CG1 4.19Å; F2508-I2800 HydrophobicContact CD1-CG2 4.3Å; F2508-I2800 HydrophobicContact CE1-CB 4.3Å; F2508-I2800 HydrophobicContact CE1-CG1 4.29Å; F2508-I2800 HydrophobicContact CE1-CG2 4Å; F2508-I2800 HydrophobicContact CZ-CG2 4.44Å |
| 2509 | A | 90 | Very high | 87.5 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -32.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C2505 R2506 T2507 R2513 Y2799 A2803 | C2505-A2509 VanDerWaalsContact O-CB 3.26Å; C2505-A2509 WeakPolarHBondContact O-CB 3.41Å; C2505-A2509 PolarHBondContact O-N 3.13Å; R2506-A2509 WeakPolarHBondContact O-CB 3.37Å; R2506-A2509 PolarHBondContact O-N 3.15Å; T2507-A2509 VanDerWaalsContact C-N 3.31Å; T2507-A2509 PolarHBondContact O-N 3.14Å; A2509-R2513 WeakPolarHBondContact O-CB 3.38Å; A2509-R2513 WeakPolarHBondContact O-CD 3.41Å; A2509-R2513 WeakPolarHBondContact O-CG 3.45Å; A2509-R2513 PolarHBondContact O-N 3.13Å; A2509-R2513 PolarHBondContact O-NH1 2.97Å; A2509-R2513 PolarHBondContact O-NH2 3.09Å; A2509-R2513 VanDerWaalsContact O-NH2 3.07Å; A2509-Y2799 VanDerWaalsContact CB-O 3.25Å; A2509-Y2799 WeakPolarHBondContact CB-O 3.39Å; A2509-A2803 HydrophobicContact CB-CB 3.68Å; A2509-A2803 WeakPolarHBondContact O-CB 3.39Å |
| 2510 | C | 89.3 | Confident | 87.7 | Confident | 29.4 Ų | 29.4 | 37.8 Ų | 37.8 | 20% | 0.199 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 171.2 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | Y1745 R2506 T2507 F2508 L2512 R2513 V2514 | Y1745-C2510 HydrophobicContact CE1-CB 4.35Å; R2506-C2510 PolarHBondContact O-N 3.06Å; R2506-C2510 PolarHBondContact O-SG 3.12Å; R2506-C2510 VanDerWaalsContact O-SG 3.37Å; T2507-C2510 WeakPolarHBondContact O-CB 3.46Å; T2507-C2510 PolarHBondContact O-N 3.15Å; T2507-C2510 VanDerWaalsContact O-N 3.17Å; F2508-C2510 VanDerWaalsContact C-N 3.31Å; F2508-C2510 PolarHBondContact O-N 3.28Å; C2510-L2512 VanDerWaalsContact C-N 3.34Å; C2510-L2512 PolarHBondContact O-N 2.94Å; C2510-R2513 PolarHBondContact O-N 3.21Å; C2510-R2513 PolarHBondContact SG-NH1 3.15Å; C2510-V2514 WeakPolarHBondContact O-CG2 3.37Å; C2510-V2514 PolarHBondContact O-N 3Å; C2510-V2514 VanDerWaalsContact O-N 3.11Å |
| 2511 | L | 91.2 | Very high | 87.5 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.5 | -107.3 | 150.1 | 0 | 0 | 0 | 111.7 | Y1745 L1788 A1792 L1795 T2507 F2508 R2513 V2514 T2515 | Y1745-L2511 HydrophobicContact CD1-CD2 3.85Å; Y1745-L2511 HydrophobicContact CE1-CD2 4.33Å; L1788-L2511 HydrophobicContact CD2-CD2 3.94Å; A1792-L2511 HydrophobicContact CB-CB 3.97Å; A1792-L2511 HydrophobicContact CB-CD1 4.23Å; L1795-L2511 HydrophobicContact CD1-CD1 3.79Å; T2507-L2511 WeakPolarHBondContact O-CG 3.47Å; T2507-L2511 PolarHBondContact O-N 3.06Å; F2508-L2511 HydrophobicContact CD2-CD2 4.44Å; F2508-L2511 WeakPolarHBondContact O-CA 3.41Å; F2508-L2511 WeakPolarHBondContact O-CB 3.35Å; F2508-L2511 PolarHBondContact O-N 2.85Å; F2508-L2511 VanDerWaalsContact O-N 3.09Å; L2511-R2513 VanDerWaalsContact C-N 3.3Å; L2511-R2513 PolarHBondContact O-N 3.05Å; L2511-V2514 PolarHBondContact O-N 3.04Å; L2511-V2514 VanDerWaalsContact O-N 3.11Å; L2511-T2515 HydrophobicContact CD2-CG2 4.17Å; L2511-T2515 PolarHBondContact O-N 3.04Å; L2511-T2515 PolarHBondContact O-OG1 3.11Å |
| 2512 | L | 90.3 | Very high | 86.8 | Confident | 10.6 Ų | 10.6 | 40.3 Ų | 40.3 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.1 | -88 | 171.4 | 0 | 0 | 0 | 112.7 | A1792 F2508 C2510 T2515 A2516 L2645 A2803 L2804 | A1792-L2512 HydrophobicContact CB-CD2 4.12Å; A1792-L2512 HydrophobicContact CB-CG 4.47Å; F2508-L2512 HydrophobicContact CD1-CD1 4.13Å; F2508-L2512 HydrophobicContact CD1-CG 4.3Å; F2508-L2512 HydrophobicContact CD2-CD1 4.49Å; F2508-L2512 HydrophobicContact CD2-CG 4.34Å; F2508-L2512 HydrophobicContact CE1-CD1 3.57Å; F2508-L2512 HydrophobicContact CE1-CD2 4.16Å; F2508-L2512 HydrophobicContact CE1-CG 4.03Å; F2508-L2512 HydrophobicContact CE2-CD1 3.77Å; F2508-L2512 HydrophobicContact CE2-CD2 4.37Å; F2508-L2512 HydrophobicContact CE2-CG 4.34Å; F2508-L2512 HydrophobicContact CZ-CD1 3.86Å; F2508-L2512 HydrophobicContact CZ-CD2 3.86Å; F2508-L2512 HydrophobicContact CZ-CG 4Å; F2508-L2512 WeakPolarHBondContact O-CB 3.28Å; F2508-L2512 PolarHBondContact O-N 3.19Å; C2510-L2512 VanDerWaalsContact C-N 3.34Å; C2510-L2512 PolarHBondContact O-N 2.94Å; L2512-T2515 WeakPolarHBondContact CA-OG1 3.35Å; L2512-T2515 WeakPolarHBondContact O-CB 3.23Å; L2512-T2515 PolarHBondContact O-N 3.2Å; L2512-T2515 PolarHBondContact O-OG1 3.1Å; L2512-A2516 WeakPolarHBondContact O-CB 3.31Å; L2512-A2516 PolarHBondContact O-N 3.12Å; L2512-L2645 HydrophobicContact CD1-CD1 4.1Å; L2512-L2645 HydrophobicContact CD1-CD2 4.06Å; L2512-L2645 HydrophobicContact CD2-CD2 3.65Å; L2512-A2803 HydrophobicContact CB-CB 4.02Å; L2512-A2803 HydrophobicContact CD1-CB 3.98Å; L2512-L2804 HydrophobicContact CD1-CD2 3.85Å; L2512-L2804 HydrophobicContact CD1-CG 3.94Å |
| 2513 | R | 89.6 | Confident | 85.8 | Confident | 44.2 Ų | 44.2 | 42.6 Ų | 42.6 | 17% | 0.167 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.5 | -83.4 | -176.1 | -162.3 | 90.9 | -2.3 | 111.7 | A2509 C2510 L2511 T2515 A2516 D2517 D2802 A2803 Y2806 N3031 | A2509-R2513 WeakPolarHBondContact O-CB 3.38Å; A2509-R2513 WeakPolarHBondContact O-CD 3.41Å; A2509-R2513 WeakPolarHBondContact O-CG 3.45Å; A2509-R2513 PolarHBondContact O-N 3.13Å; A2509-R2513 PolarHBondContact O-NH1 2.97Å; A2509-R2513 PolarHBondContact O-NH2 3.09Å; A2509-R2513 VanDerWaalsContact O-NH2 3.07Å; C2510-R2513 PolarHBondContact O-N 3.21Å; C2510-R2513 PolarHBondContact SG-NH1 3.15Å; L2511-R2513 VanDerWaalsContact C-N 3.3Å; L2511-R2513 PolarHBondContact O-N 3.05Å; R2513-T2515 VanDerWaalsContact C-N 3.31Å; R2513-T2515 PolarHBondContact O-N 3.25Å; R2513-A2516 WeakPolarHBondContact O-CB 3.39Å; R2513-A2516 PolarHBondContact O-N 3.06Å; R2513-A2516 VanDerWaalsContact O-N 3.1Å; R2513-D2517 VanDerWaalsContact O-CG 3.27Å; R2513-D2517 PolarHBondContact O-N 3.22Å; R2513-D2802 IonicContact CZ-OD2 2.85Å; R2513-D2802 IonicContact NE-OD2 3.3Å; R2513-D2802 IonicContact NH2-OD2 2.68Å; R2513-D2802 PolarHBondContact NH2-OD2 3.21Å; R2513-A2803 HydrophobicContact CG-CB 4.3Å; R2513-Y2806 HydrophobicContact CB-CD1 4.01Å; R2513-Y2806 HydrophobicContact CB-CE1 4.01Å; R2513-Y2806 HydrophobicContact CG-CD1 3.67Å; R2513-Y2806 HydrophobicContact CG-CE1 4.14Å; R2513-Y2806 HydrophobicContact CG-CG 4.16Å; R2513-N3031 VanDerWaalsContact CD-O 3.29Å; R2513-N3031 WeakPolarHBondContact CD-O 3.41Å; R2513-N3031 PolarHBondContact NE-O 3.08Å |
| 2514 | V | 89.5 | Confident | 84.2 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 21% | 0.212 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | Y1745 R1774 F1777 L1788 C2510 L2511 A2516 D2517 L2518 S2538 | Y1745-V2514 HydrophobicContact CE1-CG2 3.87Å; Y1745-V2514 WeakPolarHBondContact OH-CG2 3.48Å; R1774-V2514 HydrophobicContact CG-CG2 4.46Å; F1777-V2514 HydrophobicContact CB-CG1 4.38Å; F1777-V2514 HydrophobicContact CD2-CG1 3.69Å; F1777-V2514 HydrophobicContact CE2-CG1 4.34Å; F1777-V2514 HydrophobicContact CG-CG1 4.31Å; L1788-V2514 HydrophobicContact CD1-CG1 3.88Å; C2510-V2514 WeakPolarHBondContact O-CG2 3.37Å; C2510-V2514 PolarHBondContact O-N 3Å; C2510-V2514 VanDerWaalsContact O-N 3.11Å; L2511-V2514 PolarHBondContact O-N 3.04Å; L2511-V2514 VanDerWaalsContact O-N 3.11Å; V2514-A2516 VanDerWaalsContact C-N 3.33Å; V2514-A2516 PolarHBondContact O-N 3.23Å; V2514-D2517 PolarHBondContact O-N 3.07Å; V2514-L2518 HydrophobicContact CG1-CD1 3.94Å; V2514-L2518 HydrophobicContact CG1-CG 4.25Å; V2514-L2518 WeakPolarHBondContact O-CB 3.28Å; V2514-L2518 WeakPolarHBondContact O-CD1 3.35Å; V2514-L2518 VanDerWaalsContact O-CG 3.25Å; V2514-L2518 WeakPolarHBondContact O-CG 3.29Å; V2514-L2518 PolarHBondContact O-N 2.97Å; V2514-L2518 VanDerWaalsContact O-N 3.07Å; V2514-S2538 WeakPolarHBondContact CG2-OG 3.44Å |
| 2515 | T | 89.1 | Confident | 82.2 | Confident | 24.2 Ų | 24.2 | 43.7 Ų | 43.7 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 174.7 | 38.7 | 0 | 0 | 0 | 0 | 112.4 | P1789 L2511 L2512 R2513 L2518 L2519 | P1789-T2515 HydrophobicContact CG-CG2 4.04Å; L2511-T2515 HydrophobicContact CD2-CG2 4.17Å; L2511-T2515 PolarHBondContact O-N 3.04Å; L2511-T2515 PolarHBondContact O-OG1 3.11Å; L2512-T2515 WeakPolarHBondContact CA-OG1 3.35Å; L2512-T2515 WeakPolarHBondContact O-CB 3.23Å; L2512-T2515 PolarHBondContact O-N 3.2Å; L2512-T2515 PolarHBondContact O-OG1 3.1Å; R2513-T2515 VanDerWaalsContact C-N 3.31Å; R2513-T2515 PolarHBondContact O-N 3.25Å; T2515-L2518 PolarHBondContact O-N 2.89Å; T2515-L2519 HydrophobicContact CG2-CD1 4.24Å; T2515-L2519 WeakPolarHBondContact O-CB 3.34Å; T2515-L2519 WeakPolarHBondContact O-CD1 3.31Å; T2515-L2519 VanDerWaalsContact O-CG 3.26Å; T2515-L2519 WeakPolarHBondContact O-CG 3.38Å; T2515-L2519 PolarHBondContact O-N 3.18Å; T2515-L2519 VanDerWaalsContact O-N 3.12Å |
| 2516 | A | 88 | Confident | 79.9 | Confident | 10.2 Ų | 10.2 | 49.6 Ų | 49.6 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L2512 R2513 V2514 L2518 L2519 S2520 Y2806 F2807 V2810 | L2512-A2516 WeakPolarHBondContact O-CB 3.31Å; L2512-A2516 PolarHBondContact O-N 3.12Å; R2513-A2516 WeakPolarHBondContact O-CB 3.39Å; R2513-A2516 PolarHBondContact O-N 3.06Å; R2513-A2516 VanDerWaalsContact O-N 3.1Å; V2514-A2516 VanDerWaalsContact C-N 3.33Å; V2514-A2516 PolarHBondContact O-N 3.23Å; A2516-L2518 VanDerWaalsContact C-N 3.3Å; A2516-L2518 PolarHBondContact O-N 3.04Å; A2516-L2519 WeakPolarHBondContact O-CB 3.29Å; A2516-L2519 PolarHBondContact O-N 3.18Å; A2516-L2519 VanDerWaalsContact O-N 3.14Å; A2516-S2520 WeakPolarHBondContact O-CB 3.47Å; A2516-S2520 PolarHBondContact O-N 3.1Å; A2516-S2520 VanDerWaalsContact O-N 3.12Å; A2516-S2520 PolarHBondContact O-OG 2.88Å; A2516-Y2806 HydrophobicContact CB-CD1 3.86Å; A2516-Y2806 HydrophobicContact CB-CE1 3.79Å; A2516-F2807 HydrophobicContact CB-CB 4.36Å; A2516-F2807 HydrophobicContact CB-CD2 4.03Å; A2516-V2810 HydrophobicContact CB-CB 4.05Å; A2516-V2810 HydrophobicContact CB-CG1 4.16Å; A2516-V2810 HydrophobicContact CB-CG2 4.3Å; A2516-V2810 VanDerWaalsContact O-CG1 3.28Å; A2516-V2810 WeakPolarHBondContact O-CG1 3.38Å |
| 2517 | D | 86.9 | Confident | 77.3 | Confident | 62.8 Ų | 62.8 | 49.9 Ų | 49.9 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.3 | -66.1 | -14.4 | 0 | 0 | 0 | 111 | R2513 V2514 S2520 E2521 T2537 S2538 Y2806 | R2513-D2517 VanDerWaalsContact O-CG 3.27Å; R2513-D2517 PolarHBondContact O-N 3.22Å; V2514-D2517 PolarHBondContact O-N 3.07Å; D2517-S2520 CarbonylContact O-C 3.39Å; D2517-S2520 WeakPolarHBondContact O-CB 3.37Å; D2517-S2520 PolarHBondContact O-N 3.15Å; D2517-E2521 PolarHBondContact O-N 3.04Å; D2517-E2521 VanDerWaalsContact O-N 3.1Å; D2517-T2537 PolarHBondContact OD2-N 2.82Å; D2517-T2537 PolarHBondContact OD2-OG1 3.28Å; D2517-S2538 VanDerWaalsContact OD2-CB 3.23Å; D2517-S2538 WeakPolarHBondContact OD2-CB 3.31Å; D2517-S2538 PolarHBondContact OD2-N 2.98Å; D2517-S2538 PolarHBondContact OD2-OG 2.96Å; D2517-Y2806 WeakPolarHBondContact OD1-CE1 3.4Å; D2517-Y2806 PolarHBondContact OD1-OH 3.14Å |
| 2518 | L | 85.7 | Confident | 74.7 | Confident | 39.2 Ų | 39.2 | 53.2 Ų | 53.2 | 21% | 0.205 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 176.3 | -70.9 | 167.9 | 0 | 0 | 0 | 113.1 | F1777 A1781 A1784 I1785 L1788 V2514 T2515 A2516 S2520 E2521 I2522 | F1777-L2518 HydrophobicContact CB-CD1 4.03Å; F1777-L2518 HydrophobicContact CB-CD2 4.18Å; A1781-L2518 HydrophobicContact CB-CD2 4.05Å; A1784-L2518 HydrophobicContact CB-CD1 4.04Å; I1785-L2518 HydrophobicContact CD1-CB 3.99Å; I1785-L2518 HydrophobicContact CG1-CB 3.96Å; I1785-L2518 HydrophobicContact CG1-CD1 4.33Å; L1788-L2518 HydrophobicContact CD1-CD1 3.68Å; V2514-L2518 HydrophobicContact CG1-CD1 3.94Å; V2514-L2518 HydrophobicContact CG1-CG 4.25Å; V2514-L2518 WeakPolarHBondContact O-CB 3.28Å; V2514-L2518 WeakPolarHBondContact O-CD1 3.35Å; V2514-L2518 VanDerWaalsContact O-CG 3.25Å; V2514-L2518 WeakPolarHBondContact O-CG 3.29Å; V2514-L2518 PolarHBondContact O-N 2.97Å; V2514-L2518 VanDerWaalsContact O-N 3.07Å; T2515-L2518 PolarHBondContact O-N 2.89Å; A2516-L2518 VanDerWaalsContact C-N 3.3Å; A2516-L2518 PolarHBondContact O-N 3.04Å; L2518-S2520 VanDerWaalsContact C-N 3.28Å; L2518-S2520 PolarHBondContact O-N 2.85Å; L2518-E2521 PolarHBondContact O-N 3.06Å; L2518-I2522 WeakPolarHBondContact O-CB 3.33Å; L2518-I2522 WeakPolarHBondContact O-CD1 3.34Å; L2518-I2522 VanDerWaalsContact O-CG1 3.25Å; L2518-I2522 WeakPolarHBondContact O-CG1 3.45Å; L2518-I2522 PolarHBondContact O-N 3.02Å; L2518-I2522 VanDerWaalsContact O-N 3.07Å |
| 2519 | L | 82.9 | Confident | 71.8 | Confident | 9.2 Ų | 9.2 | 60.2 Ų | 60.2 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -32.6 | 175.8 | -77.2 | 172.5 | 0 | 0 | 0 | 112.2 | I1785 T2515 A2516 I2522 Q2523 L2637 V2638 V2641 F2807 | I1785-L2519 HydrophobicContact CD1-CD2 4.08Å; I1785-L2519 HydrophobicContact CD1-CG 4.38Å; I1785-L2519 HydrophobicContact CG2-CD2 4.08Å; T2515-L2519 HydrophobicContact CG2-CD1 4.24Å; T2515-L2519 WeakPolarHBondContact O-CB 3.34Å; T2515-L2519 WeakPolarHBondContact O-CD1 3.31Å; T2515-L2519 VanDerWaalsContact O-CG 3.26Å; T2515-L2519 WeakPolarHBondContact O-CG 3.38Å; T2515-L2519 PolarHBondContact O-N 3.18Å; T2515-L2519 VanDerWaalsContact O-N 3.12Å; A2516-L2519 WeakPolarHBondContact O-CB 3.29Å; A2516-L2519 PolarHBondContact O-N 3.18Å; A2516-L2519 VanDerWaalsContact O-N 3.14Å; L2519-I2522 HydrophobicContact CD2-CD1 4.47Å; L2519-Q2523 WeakPolarHBondContact O-CB 3.27Å; L2519-Q2523 VanDerWaalsContact O-CG 3.25Å; L2519-Q2523 WeakPolarHBondContact O-CG 3.35Å; L2519-Q2523 PolarHBondContact O-N 3.15Å; L2519-L2637 HydrophobicContact CD2-CD2 4.38Å; L2519-V2638 HydrophobicContact CD1-CG1 4.04Å; L2519-V2638 HydrophobicContact CD2-CB 3.91Å; L2519-V2638 HydrophobicContact CD2-CG1 3.63Å; L2519-V2638 HydrophobicContact CD2-CG2 3.57Å; L2519-V2638 VanDerWaalsContact CD2-CG2 3.48Å; L2519-V2638 HydrophobicContact CG-CG1 4.47Å; L2519-V2641 HydrophobicContact CD1-CG2 4.13Å; L2519-F2807 HydrophobicContact CD1-CD2 4.47Å; L2519-F2807 HydrophobicContact CD1-CE2 3.52Å; L2519-F2807 VanDerWaalsContact CD1-CE2 3.5Å; L2519-F2807 HydrophobicContact CD1-CZ 3.83Å |
| 2520 | S | 81.1 | Confident | 69.2 | Low | 56.2 Ų | 56.2 | 64.4 Ų | 64.4 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 172.9 | -148.3 | 0 | 0 | 0 | 0 | 111.9 | A2516 D2517 L2518 I2522 Q2523 G2524 S2814 | A2516-S2520 WeakPolarHBondContact O-CB 3.47Å; A2516-S2520 PolarHBondContact O-N 3.1Å; A2516-S2520 VanDerWaalsContact O-N 3.12Å; A2516-S2520 PolarHBondContact O-OG 2.88Å; D2517-S2520 CarbonylContact O-C 3.39Å; D2517-S2520 WeakPolarHBondContact O-CB 3.37Å; D2517-S2520 PolarHBondContact O-N 3.15Å; L2518-S2520 VanDerWaalsContact C-N 3.28Å; L2518-S2520 PolarHBondContact O-N 2.85Å; S2520-I2522 VanDerWaalsContact C-N 3.33Å; S2520-I2522 PolarHBondContact O-N 2.79Å; S2520-Q2523 PolarHBondContact O-N 3.18Å; S2520-G2524 WeakPolarHBondContact O-CA 3.4Å; S2520-G2524 PolarHBondContact O-N 3.01Å; S2520-S2814 PolarHBondContact OG-OG 3.29Å |
| 2521 | E | 77.5 | Confident | 66.3 | Low | 97.6 Ų | 97.6 | 66.6 Ų | 66.6 | 46% | 0.456 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.7 | -173.1 | 167.2 | -146.9 | 0 | 0 | 112.2 | S1778 D2517 L2518 Q2523 G2524 E2525 | S1778-E2521 VanDerWaalsContact CB-OE2 3.25Å; S1778-E2521 WeakPolarHBondContact CB-OE2 3.36Å; S1778-E2521 PolarHBondContact OG-OE2 3.22Å; D2517-E2521 PolarHBondContact O-N 3.04Å; D2517-E2521 VanDerWaalsContact O-N 3.1Å; L2518-E2521 PolarHBondContact O-N 3.06Å; E2521-Q2523 VanDerWaalsContact C-N 3.26Å; E2521-Q2523 PolarHBondContact O-N 3.22Å; E2521-Q2523 VanDerWaalsContact O-N 3.12Å; E2521-G2524 PolarHBondContact O-N 3.1Å; E2521-G2524 VanDerWaalsContact O-N 3.14Å; E2521-E2525 PolarHBondContact O-N 3.06Å |
| 2522 | I | 71.3 | Confident | 63.6 | Low | 36 Ų | 36 | 68.4 Ų | 68.4 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.7 | -34.6 | 176.4 | -76.5 | 174.1 | 0 | 0 | 0 | 112.6 | A1781 I1785 L2518 L2519 S2520 G2524 E2525 F2526 V2628 C2634 L2637 | A1781-I2522 HydrophobicContact CB-CD1 4.03Å; A1781-I2522 HydrophobicContact CB-CG1 4.35Å; I1785-I2522 HydrophobicContact CD1-CD1 3.39Å; I1785-I2522 HydrophobicContact CD1-CG1 4.36Å; L2518-I2522 WeakPolarHBondContact O-CB 3.33Å; L2518-I2522 WeakPolarHBondContact O-CD1 3.34Å; L2518-I2522 VanDerWaalsContact O-CG1 3.25Å; L2518-I2522 WeakPolarHBondContact O-CG1 3.45Å; L2518-I2522 PolarHBondContact O-N 3.02Å; L2518-I2522 VanDerWaalsContact O-N 3.07Å; L2519-I2522 HydrophobicContact CD2-CD1 4.47Å; S2520-I2522 VanDerWaalsContact C-N 3.33Å; S2520-I2522 PolarHBondContact O-N 2.79Å; I2522-G2524 PolarHBondContact O-N 3.22Å; I2522-E2525 PolarHBondContact O-N 3Å; I2522-F2526 VanDerWaalsContact O-CD2 3.27Å; I2522-F2526 WeakPolarHBondContact O-CD2 3.44Å; I2522-F2526 VanDerWaalsContact O-CE2 3.29Å; I2522-F2526 WeakPolarHBondContact O-CE2 3.48Å; I2522-V2628 HydrophobicContact CD1-CG2 4.4Å; I2522-V2628 HydrophobicContact CG2-CG2 3.9Å; I2522-C2634 HydrophobicContact CG2-CB 3.62Å; I2522-L2637 HydrophobicContact CD1-CD2 4.15Å |
| 2523 | Q | 63.3 | Low | 60.9 | Low | 78.8 Ų | 78.8 | 74.1 Ų | 74.1 | 37% | 0.368 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -84.4 | -22.6 | 177.7 | -131 | 175.1 | 0.7 | 0 | 0 | 112.7 | L2519 S2520 E2521 E2525 F2526 S2814 | L2519-Q2523 WeakPolarHBondContact O-CB 3.27Å; L2519-Q2523 VanDerWaalsContact O-CG 3.25Å; L2519-Q2523 WeakPolarHBondContact O-CG 3.35Å; L2519-Q2523 PolarHBondContact O-N 3.15Å; S2520-Q2523 PolarHBondContact O-N 3.18Å; E2521-Q2523 VanDerWaalsContact C-N 3.26Å; E2521-Q2523 PolarHBondContact O-N 3.22Å; E2521-Q2523 VanDerWaalsContact O-N 3.12Å; Q2523-E2525 PolarHBondContact O-N 2.98Å; Q2523-F2526 PolarHBondContact O-N 2.95Å; Q2523-S2814 VanDerWaalsContact CD-O 3.24Å; Q2523-S2814 PolarHBondContact NE2-O 3.07Å; Q2523-S2814 VanDerWaalsContact OE1-C 3.25Å; Q2523-S2814 VanDerWaalsContact OE1-CB 3.24Å; Q2523-S2814 PolarHBondContact OE1-O 3.06Å; Q2523-S2814 PolarHBondContact OE1-OG 3.39Å |
| 2524 | G | 53.5 | Low | 58.2 | Low | 52.2 Ų | 52.2 | 81.8 Ų | 81.8 | 54% | 0.538 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75 | -23.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S2520 E2521 I2522 F2526 G2527 | S2520-G2524 WeakPolarHBondContact O-CA 3.4Å; S2520-G2524 PolarHBondContact O-N 3.01Å; E2521-G2524 PolarHBondContact O-N 3.1Å; E2521-G2524 VanDerWaalsContact O-N 3.14Å; I2522-G2524 PolarHBondContact O-N 3.22Å; G2524-F2526 VanDerWaalsContact C-N 3.31Å; G2524-F2526 PolarHBondContact O-N 3.13Å; G2524-F2526 VanDerWaalsContact O-N 3.15Å; G2524-G2527 PolarHBondContact O-N 3.14Å; G2524-G2527 VanDerWaalsContact O-N 3.15Å |
| 2525 | E | 47.8 | Very low | 55.4 | Low | 129.2 Ų | 129.2 | 89.7 Ų | 89.7 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -9.7 | -178.1 | -71.5 | -147.9 | 125 | 0 | 0 | 114.5 | E2521 I2522 Q2523 G2527 F2529 T2625 | E2521-E2525 PolarHBondContact O-N 3.06Å; I2522-E2525 PolarHBondContact O-N 3Å; Q2523-E2525 PolarHBondContact O-N 2.98Å; E2525-G2527 PolarHBondContact O-N 3.07Å; E2525-F2529 VanDerWaalsContact OE1-CE1 3.22Å; E2525-F2529 WeakPolarHBondContact OE1-CE1 3.4Å; E2525-F2529 WeakPolarHBondContact OE1-CZ 3.48Å; E2525-T2625 PolarHBondContact OE1-OG1 2.68Å; E2525-T2625 WeakPolarHBondContact OE2-CB 3.32Å; E2525-T2625 PolarHBondContact OE2-OG1 3.1Å |
| 2526 | F | 42 | Very low | 52.6 | Low | 132.2 Ų | 132.2 | 92.4 Ų | 92.4 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 13.7 | 176.5 | -64.6 | -84.3 | 0 | 0 | 0 | 113.8 | I2522 Q2523 G2524 P2528 F2529 V2628 D2631 | I2522-F2526 VanDerWaalsContact O-CD2 3.27Å; I2522-F2526 WeakPolarHBondContact O-CD2 3.44Å; I2522-F2526 VanDerWaalsContact O-CE2 3.29Å; I2522-F2526 WeakPolarHBondContact O-CE2 3.48Å; Q2523-F2526 PolarHBondContact O-N 2.95Å; G2524-F2526 VanDerWaalsContact C-N 3.31Å; G2524-F2526 PolarHBondContact O-N 3.13Å; G2524-F2526 VanDerWaalsContact O-N 3.15Å; F2526-P2528 VanDerWaalsContact C-N 3.34Å; F2526-P2528 VanDerWaalsContact O-CD 3.26Å; F2526-P2528 WeakPolarHBondContact O-CD 3.39Å; F2526-F2529 PolarHBondContact O-N 2.93Å; F2526-V2628 HydrophobicContact CZ-CB 4.37Å; F2526-V2628 WeakPolarHBondContact CZ-O 3.11Å; F2526-D2631 WeakPolarHBondContact CZ-OD1 3.29Å |
| 2527 | G | 34.3 | Very low | 50.1 | Low | 51 Ų | 51 | 97 Ų | 97 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -85.3 | 135.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G2524 E2525 F2529 | G2524-G2527 PolarHBondContact O-N 3.14Å; G2524-G2527 VanDerWaalsContact O-N 3.15Å; E2525-G2527 PolarHBondContact O-N 3.07Å; G2527-F2529 VanDerWaalsContact C-N 3.33Å; G2527-F2529 PolarHBondContact O-N 3.21Å |
| 2528 | P | 33.7 | Very low | 47.5 | Very low | 119.2 Ų | 119.2 | 96.8 Ų | 96.8 | 77% | 0.774 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 49.6 | -170.5 | 23.4 | -21.3 | 0 | 0 | 0 | 114.6 | F2526 S2530 | F2526-P2528 VanDerWaalsContact C-N 3.34Å; F2526-P2528 VanDerWaalsContact O-CD 3.26Å; F2526-P2528 WeakPolarHBondContact O-CD 3.39Å; P2528-S2530 VanDerWaalsContact C-N 3.32Å; P2528-S2530 PolarHBondContact O-N 3.15Å |
| 2529 | F | 31.6 | Very low | 45.1 | Very low | 180 Ų | 180 | 99.6 Ų | 99.6 | 79% | 0.789 | 56% | 0.563 | S | S | * | * | trans | -102.6 | 73.7 | -179.1 | -73.9 | -75.3 | 0 | 0 | 0 | 115.3 | E2525 F2526 G2527 G2531 S2532 | E2525-F2529 VanDerWaalsContact OE1-CE1 3.22Å; E2525-F2529 WeakPolarHBondContact OE1-CE1 3.4Å; E2525-F2529 WeakPolarHBondContact OE1-CZ 3.48Å; F2526-F2529 PolarHBondContact O-N 2.93Å; G2527-F2529 VanDerWaalsContact C-N 3.33Å; G2527-F2529 PolarHBondContact O-N 3.21Å; F2529-G2531 PolarHBondContact O-N 3.24Å; F2529-G2531 VanDerWaalsContact O-N 3.14Å; F2529-S2532 PolarHBondContact O-N 3.29Å | ||
| 2530 | S | 33.7 | Very low | 42.6 | Very low | 95 Ų | 95 | 102.4 Ų | 102.4 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | trans | -63.6 | 40.8 | 171.6 | -169.9 | 0 | 0 | 0 | 0 | 114.5 | P2528 S2532 R2534 | P2528-S2530 VanDerWaalsContact C-N 3.32Å; P2528-S2530 PolarHBondContact O-N 3.15Å; S2530-S2532 VanDerWaalsContact C-N 3.29Å; S2530-S2532 PolarHBondContact O-N 3.16Å; S2530-R2534 VanDerWaalsContact O-CG 3.3Å; S2530-R2534 WeakPolarHBondContact O-CG 3.18Å; S2530-R2534 PolarHBondContact O-N 2.93Å; S2530-R2534 PolarHBondContact OG-NE 3.33Å | ||
| 2531 | G | 29.9 | Very low | 40.3 | Very low | 76.4 Ų | 76.4 | 105.7 Ų | 105.7 | 79% | 0.788 | 61% | 0.605 | S | S | * | * | trans | -79.6 | 34.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | F2529 | F2529-G2531 PolarHBondContact O-N 3.24Å; F2529-G2531 VanDerWaalsContact O-N 3.14Å | ||
| 2532 | S | 34.4 | Very low | 38.1 | Very low | 97.8 Ų | 97.8 | 105.8 Ų | 105.8 | 68% | 0.684 | 62% | 0.616 | S | S | * | * | trans | -118.5 | 10.5 | 172.7 | -157.7 | 0 | 0 | 0 | 0 | 113.7 | F2529 S2530 R2534 R2535 | F2529-S2532 PolarHBondContact O-N 3.29Å; S2530-S2532 VanDerWaalsContact C-N 3.29Å; S2530-S2532 PolarHBondContact O-N 3.16Å; S2532-R2534 VanDerWaalsContact C-N 3.28Å; S2532-R2534 PolarHBondContact O-N 3.28Å; S2532-R2535 WeakPolarHBondContact O-CB 3.39Å; S2532-R2535 PolarHBondContact O-N 2.94Å | ||
| 2533 | L | 32.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 111.2 Ų | 111.2 | 68% | 0.681 | 64% | 0.644 | S | S | * | * | trans | -63.1 | 44.9 | 177 | -84.7 | 158.2 | 0 | 0 | 0 | 113.2 | R2535 C2536 T2537 | L2533-R2535 PolarHBondContact O-N 3.33Å; L2533-R2535 VanDerWaalsContact O-N 3.13Å; L2533-C2536 HydrophobicContact CD2-CB 4.08Å; L2533-C2536 WeakPolarHBondContact O-CB 3.32Å; L2533-C2536 PolarHBondContact O-N 3.41Å; L2533-T2537 PolarHBondContact O-N 3.04Å | ||
| 2534 | R | 33.8 | Very low | 34.5 | Very low | 205 Ų | 205 | 110.6 Ų | 110.6 | 77% | 0.774 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 34.5 | 167.6 | -85.8 | -175 | -171.7 | -138 | 1.5 | 111.6 | S2530 S2532 C2536 T2537 | S2530-R2534 VanDerWaalsContact O-CG 3.3Å; S2530-R2534 WeakPolarHBondContact O-CG 3.18Å; S2530-R2534 PolarHBondContact O-N 2.93Å; S2530-R2534 PolarHBondContact OG-NE 3.33Å; S2532-R2534 VanDerWaalsContact C-N 3.28Å; S2532-R2534 PolarHBondContact O-N 3.28Å; R2534-C2536 PolarHBondContact O-N 2.93Å; R2534-T2537 PolarHBondContact O-OG1 3.03Å |
| 2535 | R | 30.6 | Very low | 33.5 | Very low | 200.8 Ų | 200.8 | 114.9 Ų | 114.9 | 76% | 0.758 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 52.1 | 174.4 | -168.3 | -178.6 | -68.2 | -153.9 | -0.9 | 112.9 | S2532 L2533 T2537 S2538 T3146 | S2532-R2535 WeakPolarHBondContact O-CB 3.39Å; S2532-R2535 PolarHBondContact O-N 2.94Å; L2533-R2535 PolarHBondContact O-N 3.33Å; L2533-R2535 VanDerWaalsContact O-N 3.13Å; R2535-T2537 VanDerWaalsContact C-N 3.34Å; R2535-T2537 HydrophobicContact CG-CG2 3.88Å; R2535-T2537 PolarHBondContact O-N 2.83Å; R2535-T2537 VanDerWaalsContact O-N 3.17Å; R2535-S2538 PolarHBondContact O-OG 2.61Å; R2535-T3146 PolarHBondContact NH1-OG1 2.84Å |
| 2536 | C | 30.4 | Very low | 32.8 | Very low | 81.2 Ų | 81.2 | 114.1 Ų | 114.1 | 55% | 0.549 | 68% | 0.675 | S | S | . | * | trans | -84 | 35.5 | 175.3 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | L2533 R2534 S2538 V2539 | L2533-C2536 HydrophobicContact CD2-CB 4.08Å; L2533-C2536 WeakPolarHBondContact O-CB 3.32Å; L2533-C2536 PolarHBondContact O-N 3.41Å; R2534-C2536 PolarHBondContact O-N 2.93Å; C2536-S2538 VanDerWaalsContact C-N 3.27Å; C2536-S2538 CarbonylContact C-O 3.37Å; C2536-S2538 PolarHBondContact O-N 3.26Å; C2536-S2538 VanDerWaalsContact O-N 3.13Å; C2536-V2539 HydrophobicContact CB-CG2 4.04Å; C2536-V2539 PolarHBondContact O-N 2.98Å | ||
| 2537 | T | 35.3 | Very low | 32.4 | Very low | 107.8 Ų | 107.8 | 113.7 Ų | 113.7 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 31.8 | 175.3 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | D2517 L2533 R2534 R2535 N3031 | D2517-T2537 PolarHBondContact OD2-N 2.82Å; D2517-T2537 PolarHBondContact OD2-OG1 3.28Å; L2533-T2537 PolarHBondContact O-N 3.04Å; R2534-T2537 PolarHBondContact O-OG1 3.03Å; R2535-T2537 VanDerWaalsContact C-N 3.34Å; R2535-T2537 HydrophobicContact CG-CG2 3.88Å; R2535-T2537 PolarHBondContact O-N 2.83Å; R2535-T2537 VanDerWaalsContact O-N 3.17Å; T2537-N3031 PolarHBondContact O-OD1 3.27Å; T2537-N3031 PolarHBondContact OG1-ND2 3.43Å; T2537-N3031 VanDerWaalsContact OG1-ND2 3.14Å |
| 2538 | S | 33.2 | Very low | 32.6 | Very low | 57 Ų | 57 | 115.6 Ų | 115.6 | 40% | 0.399 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | 48.8 | 165.5 | 50 | 0 | 0 | 0 | 0 | 111.9 | V2514 D2517 R2535 C2536 P2540 | V2514-S2538 WeakPolarHBondContact CG2-OG 3.44Å; D2517-S2538 VanDerWaalsContact OD2-CB 3.23Å; D2517-S2538 WeakPolarHBondContact OD2-CB 3.31Å; D2517-S2538 PolarHBondContact OD2-N 2.98Å; D2517-S2538 PolarHBondContact OD2-OG 2.96Å; R2535-S2538 PolarHBondContact O-OG 2.61Å; C2536-S2538 VanDerWaalsContact C-N 3.27Å; C2536-S2538 CarbonylContact C-O 3.37Å; C2536-S2538 PolarHBondContact O-N 3.26Å; C2536-S2538 VanDerWaalsContact O-N 3.13Å; S2538-P2540 WeakPolarHBondContact O-CD 3.46Å |
| 2539 | V | 33.4 | Very low | 32.6 | Very low | 98.2 Ų | 98.2 | 115.3 Ų | 115.3 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | trans | -84.2 | 137.6 | 164.2 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | C2536 S2541 I2543 L2545 | C2536-V2539 HydrophobicContact CB-CG2 4.04Å; C2536-V2539 PolarHBondContact O-N 2.98Å; V2539-S2541 PolarHBondContact O-N 3.17Å; V2539-S2541 VanDerWaalsContact O-N 3.16Å; V2539-S2541 PolarHBondContact O-OG 2.83Å; V2539-S2541 VanDerWaalsContact O-OG 3.06Å; V2539-I2543 HydrophobicContact CG1-CD1 4.25Å; V2539-L2545 HydrophobicContact CG1-CD1 4.18Å | ||
| 2540 | P | 30.6 | Very low | 32.7 | Very low | 68.2 Ų | 68.2 | 115.1 Ų | 115.1 | 44% | 0.443 | 67% | 0.671 | S | S | . | * | trans | -70.7 | 133 | -174.2 | 21.8 | -22.4 | 0 | 0 | 0 | 111.4 | S2538 S2542 I2543 | S2538-P2540 WeakPolarHBondContact O-CD 3.46Å; P2540-S2542 PolarHBondContact O-N 3.08Å; P2540-I2543 HydrophobicContact CG-CD1 4.31Å; P2540-I2543 HydrophobicContact CG-CG1 3.92Å; P2540-I2543 PolarHBondContact O-N 2.99Å; P2540-I2543 VanDerWaalsContact O-N 3.15Å | ||
| 2541 | S | 32.8 | Very low | 33 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 43.6 | 178.3 | -36.9 | 0 | 0 | 0 | 0 | 113.2 | V2539 | V2539-S2541 PolarHBondContact O-N 3.17Å; V2539-S2541 VanDerWaalsContact O-N 3.16Å; V2539-S2541 PolarHBondContact O-OG 2.83Å; V2539-S2541 VanDerWaalsContact O-OG 3.06Å |
| 2542 | S | 31.4 | Very low | 33.3 | Very low | 99.6 Ų | 99.6 | 120.2 Ų | 120.2 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | trans | -132.1 | 35.3 | -178.8 | 17.9 | 0 | 0 | 0 | 0 | 112.6 | P2540 G2544 | P2540-S2542 PolarHBondContact O-N 3.08Å; S2542-G2544 PolarHBondContact O-N 2.79Å | ||
| 2543 | I | 32.4 | Very low | 33.3 | Very low | 148.4 Ų | 148.4 | 123.3 Ų | 123.3 | 76% | 0.761 | 67% | 0.671 | S | S | * | * | trans | -89.7 | 79.5 | 159.7 | -49.7 | 177.3 | 0 | 0 | 0 | 109.6 | V2539 P2540 L2545 | V2539-I2543 HydrophobicContact CG1-CD1 4.25Å; P2540-I2543 HydrophobicContact CG-CD1 4.31Å; P2540-I2543 HydrophobicContact CG-CG1 3.92Å; P2540-I2543 PolarHBondContact O-N 2.99Å; P2540-I2543 VanDerWaalsContact O-N 3.15Å; I2543-L2545 PolarHBondContact O-N 2.89Å | ||
| 2544 | G | 27.6 | Very low | 33.3 | Very low | 66.4 Ų | 66.4 | 126.8 Ų | 126.8 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | trans | -93.6 | 114.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S2542 P2546 | S2542-G2544 PolarHBondContact O-N 2.79Å; G2544-P2546 VanDerWaalsContact O-CD 3.31Å; G2544-P2546 WeakPolarHBondContact O-CD 3.4Å | ||
| 2545 | L | 31.4 | Very low | 33.3 | Very low | 142.6 Ų | 142.6 | 127.5 Ų | 127.5 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | trans | -49.9 | 130.6 | 169.1 | -76.5 | 164.4 | 0 | 0 | 0 | 111.5 | V2539 I2543 L2547 | V2539-L2545 HydrophobicContact CG1-CD1 4.18Å; I2543-L2545 PolarHBondContact O-N 2.89Å; L2545-L2547 VanDerWaalsContact C-N 3.29Å; L2545-L2547 PolarHBondContact O-N 2.92Å | ||
| 2546 | P | 33.5 | Very low | 33.3 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | trans | -71.8 | 110.5 | 175.6 | 29 | -32.6 | 0 | 0 | 0 | 110.4 | G2544 T2548 | G2544-P2546 VanDerWaalsContact O-CD 3.31Å; G2544-P2546 WeakPolarHBondContact O-CD 3.4Å; P2546-T2548 PolarHBondContact O-N 3.03Å; P2546-T2548 VanDerWaalsContact O-N 3.13Å | ||
| 2547 | L | 33.4 | Very low | 33.4 | Very low | 123.2 Ų | 123.2 | 126.5 Ų | 126.5 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | trans | -80.6 | 124.4 | 175.4 | -148.7 | 77 | 0 | 0 | 0 | 109.3 | S2452 L2545 V2549 D2551 Q2552 | S2452-L2547 WeakPolarHBondContact OG-CA 3.21Å; S2452-L2547 PolarHBondContact OG-N 2.91Å; L2545-L2547 VanDerWaalsContact C-N 3.29Å; L2545-L2547 PolarHBondContact O-N 2.92Å; L2547-V2549 PolarHBondContact O-N 3.28Å; L2547-D2551 HydrophobicContact CD2-CB 4.16Å; L2547-D2551 WeakPolarHBondContact CD2-OD2 3.49Å; L2547-D2551 HydrophobicContact CG-CB 3.98Å; L2547-D2551 WeakPolarHBondContact CG-OD2 3.47Å; L2547-Q2552 HydrophobicContact CB-CG 4.15Å; L2547-Q2552 HydrophobicContact CD2-CG 3.93Å; L2547-Q2552 HydrophobicContact CG-CG 4.36Å; L2547-Q2552 PolarHBondContact O-NE2 3.22Å | ||
| 2548 | T | 39.4 | Very low | 33.3 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | trans | -57.4 | 152.6 | -167.2 | 58.6 | 0 | 0 | 0 | 0 | 113 | T2451 S2452 P2546 Y2550 D2551 Q2552 | T2451-T2548 WeakPolarHBondContact CB-O 3.45Å; T2451-T2548 VanDerWaalsContact CG2-O 3.22Å; T2451-T2548 WeakPolarHBondContact CG2-O 3.5Å; S2452-T2548 CarbonylContact C-O 3.47Å; S2452-T2548 WeakPolarHBondContact CA-O 3.42Å; S2452-T2548 PolarHBondContact N-O 2.96Å; S2452-T2548 CarbonylContact O-C 3.44Å; S2452-T2548 WeakPolarHBondContact OG-CA 3.46Å; S2452-T2548 PolarHBondContact OG-N 3.44Å; S2452-T2548 PolarHBondContact OG-O 2.82Å; P2546-T2548 PolarHBondContact O-N 3.03Å; P2546-T2548 VanDerWaalsContact O-N 3.13Å; T2548-Y2550 VanDerWaalsContact C-N 3.32Å; T2548-Y2550 PolarHBondContact O-N 3.14Å; T2548-Y2550 WeakPolarHBondContact OG1-CB 3.43Å; T2548-D2551 PolarHBondContact O-N 3.22Å; T2548-D2551 PolarHBondContact OG1-N 3.14Å; T2548-Q2552 WeakPolarHBondContact O-CG 3.47Å; T2548-Q2552 PolarHBondContact O-N 2.98Å | ||
| 2549 | V | 34.1 | Very low | 33.1 | Very low | 114.2 Ų | 114.2 | 135.9 Ų | 135.9 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -61.8 | 30.7 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | T2451 S2452 T2453 L2547 D2551 Q2553 | T2451-V2549 HydrophobicContact CG2-CB 3.92Å; T2451-V2549 HydrophobicContact CG2-CG2 3.25Å; S2452-V2549 CarbonylContact O-C 3.39Å; S2452-V2549 PolarHBondContact O-N 2.97Å; T2453-V2549 WeakPolarHBondContact CG2-O 3.22Å; L2547-V2549 PolarHBondContact O-N 3.28Å; V2549-D2551 PolarHBondContact O-N 3.31Å; V2549-Q2553 WeakPolarHBondContact O-CB 3.44Å; V2549-Q2553 VanDerWaalsContact O-CG 3.24Å; V2549-Q2553 WeakPolarHBondContact O-CG 3.36Å; V2549-Q2553 PolarHBondContact O-N 2.95Å |
| 2550 | Y | 33.3 | Very low | 32.8 | Very low | 176.2 Ų | 176.2 | 136.8 Ų | 136.8 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -108.5 | -6.7 | 166.8 | -136 | -94.7 | 0 | 0 | 0 | 114.2 | T2548 Q2552 Q2553 R2554 | T2548-Y2550 VanDerWaalsContact C-N 3.32Å; T2548-Y2550 PolarHBondContact O-N 3.14Å; T2548-Y2550 WeakPolarHBondContact OG1-CB 3.43Å; Y2550-Q2552 PolarHBondContact O-N 2.83Å; Y2550-Q2553 PolarHBondContact O-N 3.38Å; Y2550-R2554 WeakPolarHBondContact O-CG 3.35Å; Y2550-R2554 PolarHBondContact O-N 2.72Å; Y2550-R2554 PolarHBondContact OH-NE 2.8Å; Y2550-R2554 PolarHBondContact OH-NH2 2.96Å |
| 2551 | D | 38.7 | Very low | 32.7 | Very low | 118.2 Ų | 118.2 | 138.7 Ų | 138.7 | 63% | 0.632 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -101.3 | 5.1 | -178.2 | -150.4 | 7.7 | 0 | 0 | 0 | 112.6 | L2547 T2548 V2549 Q2553 R2554 R2555 | L2547-D2551 HydrophobicContact CD2-CB 4.16Å; L2547-D2551 WeakPolarHBondContact CD2-OD2 3.49Å; L2547-D2551 HydrophobicContact CG-CB 3.98Å; L2547-D2551 WeakPolarHBondContact CG-OD2 3.47Å; T2548-D2551 PolarHBondContact O-N 3.22Å; T2548-D2551 PolarHBondContact OG1-N 3.14Å; V2549-D2551 PolarHBondContact O-N 3.31Å; D2551-Q2553 PolarHBondContact O-N 2.83Å; D2551-Q2553 VanDerWaalsContact O-N 3.08Å; D2551-R2554 PolarHBondContact O-N 2.69Å; D2551-R2555 WeakPolarHBondContact O-CG 3.34Å; D2551-R2555 PolarHBondContact O-N 2.71Å; D2551-R2555 IonicContact OD2-CZ 3.53Å; D2551-R2555 IonicContact OD2-NE 3.49Å; D2551-R2555 PolarHBondContact OD2-NE 2.63Å; D2551-R2555 IonicContact OD2-NH2 2.82Å; D2551-R2555 PolarHBondContact OD2-NH2 3.22Å |
| 2552 | Q | 36.8 | Very low | 32.5 | Very low | 159.2 Ų | 159.2 | 138.3 Ų | 138.3 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -95.9 | -2.7 | 171.2 | -99.1 | -178.2 | -5.7 | 0 | 0 | 112.9 | L2547 T2548 Y2550 R2554 R2555 | L2547-Q2552 HydrophobicContact CB-CG 4.15Å; L2547-Q2552 HydrophobicContact CD2-CG 3.93Å; L2547-Q2552 HydrophobicContact CG-CG 4.36Å; L2547-Q2552 PolarHBondContact O-NE2 3.22Å; T2548-Q2552 WeakPolarHBondContact O-CG 3.47Å; T2548-Q2552 PolarHBondContact O-N 2.98Å; Y2550-Q2552 PolarHBondContact O-N 2.83Å; Q2552-R2554 VanDerWaalsContact C-N 3.25Å; Q2552-R2554 PolarHBondContact O-N 3.09Å; Q2552-R2555 PolarHBondContact O-N 2.99Å |
| 2553 | Q | 34.2 | Very low | 32.4 | Very low | 162.6 Ų | 162.6 | 139 Ų | 139 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | -85.5 | 30 | -179.9 | -120.1 | 166.3 | -12.7 | 0 | 0 | 114.8 | V2549 Y2550 D2551 R2555 L2556 | V2549-Q2553 WeakPolarHBondContact O-CB 3.44Å; V2549-Q2553 VanDerWaalsContact O-CG 3.24Å; V2549-Q2553 WeakPolarHBondContact O-CG 3.36Å; V2549-Q2553 PolarHBondContact O-N 2.95Å; Y2550-Q2553 PolarHBondContact O-N 3.38Å; D2551-Q2553 PolarHBondContact O-N 2.83Å; D2551-Q2553 VanDerWaalsContact O-N 3.08Å; Q2553-R2555 PolarHBondContact O-N 3.37Å; Q2553-L2556 PolarHBondContact O-N 3.44Å | ||
| 2554 | R | 32.5 | Very low | 32.2 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -128.6 | 81 | 176.6 | -87.7 | -169.1 | -178.9 | -145.2 | 2.6 | 113.1 | Y2550 D2551 Q2552 | Y2550-R2554 WeakPolarHBondContact O-CG 3.35Å; Y2550-R2554 PolarHBondContact O-N 2.72Å; Y2550-R2554 PolarHBondContact OH-NE 2.8Å; Y2550-R2554 PolarHBondContact OH-NH2 2.96Å; D2551-R2554 PolarHBondContact O-N 2.69Å; Q2552-R2554 VanDerWaalsContact C-N 3.25Å; Q2552-R2554 PolarHBondContact O-N 3.09Å | ||
| 2555 | R | 34.2 | Very low | 32.3 | Very low | 221.6 Ų | 221.6 | 143.5 Ų | 143.5 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -174.2 | 80.9 | 162.1 | -71 | 173 | 179.1 | 165.4 | -1.5 | 114.5 | D2551 Q2552 Q2553 | D2551-R2555 WeakPolarHBondContact O-CG 3.34Å; D2551-R2555 PolarHBondContact O-N 2.71Å; D2551-R2555 IonicContact OD2-CZ 3.53Å; D2551-R2555 IonicContact OD2-NE 3.49Å; D2551-R2555 PolarHBondContact OD2-NE 2.63Å; D2551-R2555 IonicContact OD2-NH2 2.82Å; D2551-R2555 PolarHBondContact OD2-NH2 3.22Å; Q2552-R2555 PolarHBondContact O-N 2.99Å; Q2553-R2555 PolarHBondContact O-N 3.37Å | ||
| 2556 | L | 31.7 | Very low | 32.1 | Very low | 152.4 Ų | 152.4 | 140.7 Ų | 140.7 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -97.1 | 153.4 | 153.8 | -74.3 | 173.6 | 0 | 0 | 0 | 109.7 | Q2553 I2558 | Q2553-L2556 PolarHBondContact O-N 3.44Å; L2556-I2558 PolarHBondContact O-N 2.83Å; L2556-I2558 VanDerWaalsContact O-N 3.1Å | ||
| 2557 | P | 32.5 | Very low | 31.8 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -96.4 | 164.1 | -160.6 | 21.4 | -10.5 | 0 | 0 | 0 | 113 | Y2559 | P2557-Y2559 PolarHBondContact O-N 3.17Å; P2557-Y2559 VanDerWaalsContact O-N 3.07Å | ||
| 2558 | I | 31.4 | Very low | 31.6 | Very low | 149.6 Ų | 149.6 | 140.5 Ų | 140.5 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 143.5 | 127.2 | 155.6 | -60.3 | 168.6 | 0 | 0 | 0 | 113 | L2556 | L2556-I2558 PolarHBondContact O-N 2.83Å; L2556-I2558 VanDerWaalsContact O-N 3.1Å | ||
| 2559 | Y | 29.1 | Very low | 31.1 | Very low | 212.8 Ų | 212.8 | 141.8 Ų | 141.8 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -50.5 | 138.1 | 153 | -85.2 | -83.4 | 0 | 0 | 0 | 117.7 | P2557 | P2557-Y2559 PolarHBondContact O-N 3.17Å; P2557-Y2559 VanDerWaalsContact O-N 3.07Å | ||
| 2560 | C | 27.9 | Very low | 30.9 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -81.6 | 139.2 | 146.1 | -80.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2561 | S | 27.8 | Very low | 30.7 | Very low | 109.6 Ų | 109.6 | 139.3 Ų | 139.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | 179.6 | 145.9 | 151.7 | -61.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2562 | S | 29.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 71.3 | 132 | 156.4 | -56.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2563 | S | 29.2 | Very low | 30.1 | Very low | 113.4 Ų | 113.4 | 137.2 Ų | 137.2 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | 167.5 | 151.9 | 100.2 | -153.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2564 | M | 27.8 | Very low | 30 | Very low | 172.2 Ų | 172.2 | 136 Ų | 136 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -129.3 | 168.9 | 147.1 | -80.8 | -175.1 | 142.2 | 0 | 0 | 112.2 | ||||
| 2565 | V | 29 | Very low | 29.9 | Very low | 137.4 Ų | 137.4 | 134.2 Ų | 134.2 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 140.5 | 131.6 | 142.8 | 167.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2566 | A | 28.3 | Very low | 29.8 | Very low | 84.8 Ų | 84.8 | 129.2 Ų | 129.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -135 | 156.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2567 | T | 27.9 | Very low | 29.7 | Very low | 131.6 Ų | 131.6 | 129.7 Ų | 129.7 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 165.5 | 135.5 | 145.2 | 33.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2568 | S | 29.1 | Very low | 29.5 | Very low | 100.2 Ų | 100.2 | 130.4 Ų | 130.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 168.5 | 135.8 | 133.4 | 56.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2569 | T | 28 | Very low | 29.4 | Very low | 117.2 Ų | 117.2 | 129.4 Ų | 129.4 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | 108.1 | 151.8 | 96.6 | 46.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2570 | T | 30.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | 92.3 | 137.4 | 137.9 | 48.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2571 | S | 29.1 | Very low | 29.3 | Very low | 112.6 Ų | 112.6 | 126.7 Ų | 126.7 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | 107.5 | 146.4 | 107.2 | -79.6 | 0 | 0 | 0 | 0 | 117 | |||||
| 2572 | A | 31.5 | Very low | 29.4 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | 157.7 | 158.6 | 58.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 2573 | N | 30.3 | Very low | 29.5 | Very low | 145.8 Ų | 145.8 | 126.9 Ų | 126.9 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 52.5 | 140.6 | 158.2 | -77.6 | -5.3 | 0 | 0 | 0 | 119.3 | ||||
| 2574 | N | 33 | Very low | 29.7 | Very low | 138.6 Ų | 138.6 | 126.7 Ų | 126.7 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | cis | -178.1 | 148 | 41.4 | -100.8 | -25 | 0 | 0 | 0 | 115 | ||||
| 2575 | Q | 29.9 | Very low | 29.7 | Very low | 164.8 Ų | 164.8 | 125.5 Ų | 125.5 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 29.9 | 147.3 | 164.3 | -79.6 | -169.3 | -10.8 | 0 | 0 | 118.3 | H2577 | Q2575-H2577 PolarHBondContact NE2-CD2 2.77Å; Q2575-H2577 VanDerWaalsContact NE2-CD2 3.26Å; Q2575-H2577 PolarHBondContact NE2-NE2 3.46Å; Q2575-H2577 VanDerWaalsContact NE2-NE2 3.16Å | ||
| 2576 | P | 31.9 | Very low | 29.7 | Very low | 115.6 Ų | 115.6 | 125.1 Ų | 125.1 | 75% | 0.751 | 76% | 0.755 | S | S | * | * | trans | -119.8 | 167.1 | 135.6 | 38.8 | -25.9 | 0 | 0 | 0 | 114.8 | ||||
| 2577 | H | 30.9 | Very low | 29.8 | Very low | 163.4 Ų | 163.4 | 129 Ų | 129 | 76% | 0.756 | 76% | 0.763 | S | S | * | * | trans | -81.8 | 133.3 | 173.5 | -73.9 | -77.9 | 0 | 0 | 0 | 113.9 | Q2575 V2579 | Q2575-H2577 PolarHBondContact NE2-CD2 2.77Å; Q2575-H2577 VanDerWaalsContact NE2-CD2 3.26Å; Q2575-H2577 PolarHBondContact NE2-NE2 3.46Å; Q2575-H2577 VanDerWaalsContact NE2-NE2 3.16Å; H2577-V2579 PolarHBondContact O-N 2.8Å | ||
| 2578 | T | 27.1 | Very low | 29.9 | Very low | 121.4 Ų | 121.4 | 127.8 Ų | 127.8 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | -141 | 133.9 | 134.2 | -69.8 | 0 | 0 | 0 | 0 | 110.6 | V2580 | T2578-V2580 HydrophobicContact CG2-CG2 4.22Š| ||
| 2579 | V | 29 | Very low | 29.9 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -89 | 137.2 | 162.1 | 165.7 | 0 | 0 | 0 | 0 | 114.3 | H2577 L2581 | H2577-V2579 PolarHBondContact O-N 2.8Å; V2579-L2581 HydrophobicContact CG1-CG 4.42Å | ||
| 2580 | V | 27.6 | Very low | 30.1 | Very low | 110.8 Ų | 110.8 | 129.8 Ų | 129.8 | 67% | 0.672 | 77% | 0.765 | S | S | * | * | trans | -150.6 | 131.1 | 170.2 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | T2578 T2582 | T2578-V2580 HydrophobicContact CG2-CG2 4.22Å; V2580-T2582 HydrophobicContact CG1-CG2 4.06Å; V2580-T2582 WeakPolarHBondContact CG1-OG1 3.3Å; V2580-T2582 PolarHBondContact O-N 2.68Å | ||
| 2581 | L | 28.9 | Very low | 30.2 | Very low | 162.6 Ų | 162.6 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -98.5 | 126.8 | 160.1 | -67.8 | 171.9 | 0 | 0 | 0 | 113.3 | V2579 | V2579-L2581 HydrophobicContact CG1-CG 4.42Š| ||
| 2582 | T | 28.5 | Very low | 30.2 | Very low | 111.4 Ų | 111.4 | 134.9 Ų | 134.9 | 68% | 0.683 | 77% | 0.77 | S | S | * | * | trans | -108.8 | 139.7 | 174.3 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | V2580 S2584 | V2580-T2582 HydrophobicContact CG1-CG2 4.06Å; V2580-T2582 WeakPolarHBondContact CG1-OG1 3.3Å; V2580-T2582 PolarHBondContact O-N 2.68Å; T2582-S2584 PolarHBondContact O-N 2.91Å | ||
| 2583 | P | 33.3 | Very low | 30.4 | Very low | 120.6 Ų | 120.6 | 136.4 Ų | 136.4 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -92.4 | 149 | 166.9 | 35.1 | -29.8 | 0 | 0 | 0 | 111.1 | ||||
| 2584 | S | 31.6 | Very low | 30.3 | Very low | 109.4 Ų | 109.4 | 134.1 Ų | 134.1 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -134.1 | 136 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | T2582 | T2582-S2584 PolarHBondContact O-N 2.91Š| ||
| 2585 | N | 28.4 | Very low | 30.3 | Very low | 146.6 Ų | 146.6 | 132.8 Ų | 132.8 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -79.9 | 158.2 | 160.7 | -80.5 | -37.7 | 0 | 0 | 0 | 111.7 | ||||
| 2586 | T | 30 | Very low | 30.3 | Very low | 130.6 Ų | 130.6 | 130.2 Ų | 130.2 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | trans | 100.8 | 116.8 | 153.6 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2587 | L | 30.4 | Very low | 30.3 | Very low | 166.2 Ų | 166.2 | 129.8 Ų | 129.8 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | -159.3 | 139.3 | 106.7 | -102.5 | 165 | 0 | 0 | 0 | 110 | |||||
| 2588 | S | 29.9 | Very low | 30.2 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -138.3 | 128.7 | -168.6 | 33.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2589 | S | 29.3 | Very low | 30.4 | Very low | 100.2 Ų | 100.2 | 128.8 Ų | 128.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 74.8 | 136.4 | 144.7 | 57.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2590 | I | 31 | Very low | 30.4 | Very low | 160 Ų | 160 | 131 Ų | 131 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | 109.9 | 126.9 | 139.8 | -74.5 | 157.2 | 0 | 0 | 0 | 112.2 | ||||
| 2591 | S | 32.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | cis | -175.9 | 144.1 | 42.5 | -28 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2592 | R | 28.6 | Very low | 30.5 | Very low | 232 Ų | 232 | 129.2 Ų | 129.2 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -90.7 | 166.9 | 165.7 | -94.5 | 178.7 | 173.7 | -176.8 | -2 | 110.4 | ||||
| 2593 | P | 35.5 | Very low | 30.7 | Very low | 118.4 Ų | 118.4 | 126.6 Ų | 126.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | -123.4 | 171.6 | 51.4 | 31 | -12.5 | 0 | 0 | 0 | 113.1 | |||||
| 2594 | S | 28.7 | Very low | 31 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | -175.7 | 145.5 | 72.8 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2595 | S | 33.3 | Very low | 31.1 | Very low | 111.6 Ų | 111.6 | 132.8 Ų | 132.8 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | -174.8 | 146 | 115.8 | 45.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2596 | S | 29.9 | Very low | 31.4 | Very low | 109.8 Ų | 109.8 | 128.7 Ų | 128.7 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | trans | -8.1 | 139.9 | 171.4 | 50.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2597 | S | 31.2 | Very low | 31.7 | Very low | 107.6 Ų | 107.6 | 131.3 Ų | 131.3 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | 177.6 | 140.8 | 103.6 | 39.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2598 | T | 30.6 | Very low | 31.9 | Very low | 127.6 Ų | 127.6 | 128.9 Ų | 128.9 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 40.7 | 123 | 137.7 | -35.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2599 | D | 30.6 | Very low | 32.3 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | -173.9 | 169.5 | 90.9 | -126.8 | -29.2 | 0 | 0 | 0 | 114.6 | S2601 | D2599-S2601 PolarHBondContact O-N 3.23Š| |||
| 2600 | Q | 29.1 | Very low | 32.4 | Very low | 175.4 Ų | 175.4 | 133.6 Ų | 133.6 | 82% | 0.82 | 74% | 0.741 | S | S | * | * | trans | -118 | 106.4 | -161.4 | -75.2 | 175.8 | 73.3 | 0 | 0 | 115.1 | ||||
| 2601 | S | 28.8 | Very low | 32.6 | Very low | 107.4 Ų | 107.4 | 129.5 Ų | 129.5 | 75% | 0.751 | 73% | 0.727 | S | S | * | * | trans | -166.2 | 108 | 169.3 | 65.7 | 0 | 0 | 0 | 0 | 116.6 | D2599 | D2599-S2601 PolarHBondContact O-N 3.23Š| ||
| 2602 | S | 30.2 | Very low | 32.7 | Very low | 126.8 Ų | 126.8 | 128.4 Ų | 128.4 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -165 | 123 | 163.9 | 57 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2603 | G | 32.8 | Very low | 33 | Very low | 57.8 Ų | 57.8 | 121 Ų | 121 | 60% | 0.596 | 70% | 0.699 | S | S | * | * | trans | 170.9 | -1.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | R2605 G2606 R2607 | G2603-R2605 PolarHBondContact O-N 3.16Å; G2603-G2606 WeakPolarHBondContact O-CA 3.23Å; G2603-G2606 PolarHBondContact O-N 3.26Å; G2603-R2607 PolarHBondContact O-N 3.03Å | ||
| 2604 | I | 38.8 | Very low | 32.9 | Very low | 122.4 Ų | 122.4 | 118.4 Ų | 118.4 | 63% | 0.628 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -93.8 | -2.1 | -167.5 | -54.8 | 178.1 | 0 | 0 | 0 | 113.2 | G2606 R2607 L2608 D2988 | I2604-G2606 PolarHBondContact O-N 3.03Å; I2604-G2606 VanDerWaalsContact O-N 3.08Å; I2604-R2607 PolarHBondContact O-N 3.14Å; I2604-L2608 PolarHBondContact O-N 3.1Å; I2604-D2988 WeakPolarHBondContact CD1-OD1 3.41Å |
| 2605 | R | 34.1 | Very low | 33.2 | Very low | 237 Ų | 237 | 116 Ų | 116 | 89% | 0.894 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.2 | 8.6 | 169 | -81.8 | -175.6 | 168.1 | -175.3 | -5 | 111.7 | G2603 | G2603-R2605 PolarHBondContact O-N 3.16Å |
| 2606 | G | 33.3 | Very low | 33.5 | Very low | 60.6 Ų | 60.6 | 115.8 Ų | 115.8 | 63% | 0.625 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -110.8 | -5.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G2603 I2604 | G2603-G2606 WeakPolarHBondContact O-CA 3.23Å; G2603-G2606 PolarHBondContact O-N 3.26Å; I2604-G2606 PolarHBondContact O-N 3.03Å; I2604-G2606 VanDerWaalsContact O-N 3.08Å |
| 2607 | R | 36.3 | Very low | 33.6 | Very low | 186.4 Ų | 186.4 | 114.5 Ų | 114.5 | 70% | 0.703 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.4 | -19.3 | 175.6 | -70 | -173.6 | 179.6 | -171.9 | 0.1 | 114.3 | S1977 G2603 I2604 I2609 R2610 S2611 | S1977-R2607 VanDerWaalsContact CB-NH2 3.32Å; S1977-R2607 VanDerWaalsContact OG-CZ 3.3Å; S1977-R2607 PolarHBondContact OG-NH1 3.15Å; S1977-R2607 PolarHBondContact OG-NH2 3.02Å; G2603-R2607 PolarHBondContact O-N 3.03Å; I2604-R2607 PolarHBondContact O-N 3.14Å; R2607-I2609 PolarHBondContact O-N 3.14Å; R2607-R2610 CarbonylContact O-C 3.32Å; R2607-R2610 WeakPolarHBondContact O-CA 3.21Å; R2607-R2610 VanDerWaalsContact O-CB 3.25Å; R2607-R2610 WeakPolarHBondContact O-CB 3.38Å; R2607-R2610 PolarHBondContact O-N 2.91Å; R2607-R2610 VanDerWaalsContact O-N 3.09Å; R2607-S2611 PolarHBondContact O-N 3.12Å; R2607-S2611 VanDerWaalsContact O-N 3.15Å; R2607-S2611 PolarHBondContact O-OG 3.22Å |
| 2608 | L | 34.8 | Very low | 33.7 | Very low | 114.6 Ų | 114.6 | 114.6 Ų | 114.6 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.5 | -37.8 | 174.6 | -131.8 | 86.9 | 0 | 0 | 0 | 111.8 | I2604 R2610 S2611 C2612 | I2604-L2608 PolarHBondContact O-N 3.1Å; L2608-R2610 VanDerWaalsContact C-N 3.35Å; L2608-R2610 PolarHBondContact O-N 2.94Å; L2608-S2611 WeakPolarHBondContact O-CB 3.44Å; L2608-S2611 PolarHBondContact O-N 2.93Å; L2608-S2611 VanDerWaalsContact O-N 3.15Å; L2608-C2612 PolarHBondContact O-N 3.11Å; L2608-C2612 VanDerWaalsContact O-N 3.12Å; L2608-C2612 PolarHBondContact O-SG 2.98Å; L2608-C2612 VanDerWaalsContact O-SG 3.41Å |
| 2609 | I | 38.7 | Very low | 34 | Very low | 126 Ų | 126 | 112.4 Ų | 112.4 | 65% | 0.646 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.5 | -29.8 | 177.5 | -61.1 | 173.3 | 0 | 0 | 0 | 110.6 | R2607 S2611 T2613 | R2607-I2609 PolarHBondContact O-N 3.14Å; I2609-S2611 VanDerWaalsContact C-N 3.32Å; I2609-T2613 HydrophobicContact CG2-CG2 4.29Å; I2609-T2613 WeakPolarHBondContact O-CB 3.37Å; I2609-T2613 WeakPolarHBondContact O-CG2 3.37Å; I2609-T2613 PolarHBondContact O-N 3.09Å; I2609-T2613 PolarHBondContact O-OG1 3.07Å |
| 2610 | R | 32.1 | Very low | 34.2 | Very low | 177.2 Ų | 177.2 | 110.3 Ų | 110.3 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.1 | -19.4 | 178.4 | -125.2 | 174.5 | -169.1 | 176.8 | 3 | 113.3 | T1973 R2607 L2608 T2613 T2614 | T1973-R2610 PolarHBondContact O-NH1 3.37Å; T1973-R2610 VanDerWaalsContact O-NH1 3.11Å; T1973-R2610 PolarHBondContact O-NH2 3.21Å; T1973-R2610 PolarHBondContact OG1-NH2 2.91Å; R2607-R2610 CarbonylContact O-C 3.32Å; R2607-R2610 WeakPolarHBondContact O-CA 3.21Å; R2607-R2610 VanDerWaalsContact O-CB 3.25Å; R2607-R2610 WeakPolarHBondContact O-CB 3.38Å; R2607-R2610 PolarHBondContact O-N 2.91Å; R2607-R2610 VanDerWaalsContact O-N 3.09Å; L2608-R2610 VanDerWaalsContact C-N 3.35Å; L2608-R2610 PolarHBondContact O-N 2.94Å; R2610-T2613 WeakPolarHBondContact CA-OG1 3.41Å; R2610-T2613 PolarHBondContact O-OG1 2.99Å; R2610-T2613 VanDerWaalsContact O-OG1 3.1Å; R2610-T2614 VanDerWaalsContact O-CB 3.29Å; R2610-T2614 WeakPolarHBondContact O-CB 3.38Å; R2610-T2614 PolarHBondContact O-N 3.03Å; R2610-T2614 PolarHBondContact O-OG1 3.11Å |
| 2611 | S | 35.1 | Very low | 34.4 | Very low | 75.2 Ų | 75.2 | 105.6 Ų | 105.6 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -84 | -32.2 | 171.8 | -79.7 | 0 | 0 | 0 | 0 | 111.8 | R2607 L2608 I2609 T2613 T2614 A2615 | R2607-S2611 PolarHBondContact O-N 3.12Å; R2607-S2611 VanDerWaalsContact O-N 3.15Å; R2607-S2611 PolarHBondContact O-OG 3.22Å; L2608-S2611 WeakPolarHBondContact O-CB 3.44Å; L2608-S2611 PolarHBondContact O-N 2.93Å; L2608-S2611 VanDerWaalsContact O-N 3.15Å; I2609-S2611 VanDerWaalsContact C-N 3.32Å; S2611-T2613 VanDerWaalsContact C-N 3.28Å; S2611-T2613 PolarHBondContact O-N 3.3Å; S2611-T2614 VanDerWaalsContact O-CB 3.27Å; S2611-T2614 WeakPolarHBondContact O-CB 3.38Å; S2611-T2614 PolarHBondContact O-N 3.24Å; S2611-T2614 VanDerWaalsContact O-N 3.12Å; S2611-A2615 WeakPolarHBondContact O-CA 3.14Å; S2611-A2615 WeakPolarHBondContact O-CB 3.31Å; S2611-A2615 PolarHBondContact O-N 3.2Å |
| 2612 | C | 33.6 | Very low | 34.6 | Very low | 88.8 Ų | 88.8 | 110.9 Ų | 110.9 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.1 | -30.9 | 174.8 | -42.2 | 0 | 0 | 0 | 0 | 112.2 | L2608 T2614 A2615 V2616 | L2608-C2612 PolarHBondContact O-N 3.11Å; L2608-C2612 VanDerWaalsContact O-N 3.12Å; L2608-C2612 PolarHBondContact O-SG 2.98Å; L2608-C2612 VanDerWaalsContact O-SG 3.41Å; C2612-T2614 VanDerWaalsContact C-N 3.3Å; C2612-T2614 PolarHBondContact O-N 3.22Å; C2612-A2615 PolarHBondContact O-N 3.33Å; C2612-V2616 WeakPolarHBondContact O-CG2 3.41Å; C2612-V2616 PolarHBondContact O-N 3.04Å; C2612-V2616 VanDerWaalsContact O-N 3.12Å |
| 2613 | T | 35.6 | Very low | 34.9 | Very low | 76.8 Ų | 76.8 | 109.1 Ų | 109.1 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -79.8 | -12 | 175.5 | 46.7 | 0 | 0 | 0 | 0 | 112.3 | I2609 R2610 S2611 S2617 | I2609-T2613 HydrophobicContact CG2-CG2 4.29Å; I2609-T2613 WeakPolarHBondContact O-CB 3.37Å; I2609-T2613 WeakPolarHBondContact O-CG2 3.37Å; I2609-T2613 PolarHBondContact O-N 3.09Å; I2609-T2613 PolarHBondContact O-OG1 3.07Å; R2610-T2613 WeakPolarHBondContact CA-OG1 3.41Å; R2610-T2613 PolarHBondContact O-OG1 2.99Å; R2610-T2613 VanDerWaalsContact O-OG1 3.1Å; S2611-T2613 VanDerWaalsContact C-N 3.28Å; S2611-T2613 PolarHBondContact O-N 3.3Å; T2613-S2617 VanDerWaalsContact O-CB 3.31Å; T2613-S2617 WeakPolarHBondContact O-CB 3.43Å; T2613-S2617 PolarHBondContact O-N 3Å; T2613-S2617 PolarHBondContact O-OG 2.95Å |
| 2614 | T | 33.7 | Very low | 35.1 | Very low | 63.4 Ų | 63.4 | 113.1 Ų | 113.1 | 39% | 0.389 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -86.7 | -29.6 | 176.1 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | R2610 S2611 C2612 V2616 S2617 L2618 I2626 | R2610-T2614 VanDerWaalsContact O-CB 3.29Å; R2610-T2614 WeakPolarHBondContact O-CB 3.38Å; R2610-T2614 PolarHBondContact O-N 3.03Å; R2610-T2614 PolarHBondContact O-OG1 3.11Å; S2611-T2614 VanDerWaalsContact O-CB 3.27Å; S2611-T2614 WeakPolarHBondContact O-CB 3.38Å; S2611-T2614 PolarHBondContact O-N 3.24Å; S2611-T2614 VanDerWaalsContact O-N 3.12Å; C2612-T2614 VanDerWaalsContact C-N 3.3Å; C2612-T2614 PolarHBondContact O-N 3.22Å; T2614-V2616 PolarHBondContact O-N 3.09Å; T2614-S2617 CarbonylContact O-C 3.52Å; T2614-S2617 VanDerWaalsContact O-CB 3.29Å; T2614-S2617 WeakPolarHBondContact O-CB 3.2Å; T2614-S2617 PolarHBondContact O-N 3.17Å; T2614-S2617 VanDerWaalsContact O-N 3.1Å; T2614-L2618 HydrophobicContact CG2-CD1 4.1Å; T2614-L2618 HydrophobicContact CG2-CG 4.1Å; T2614-L2618 VanDerWaalsContact O-CB 3.26Å; T2614-L2618 WeakPolarHBondContact O-CB 3.39Å; T2614-L2618 VanDerWaalsContact O-CG 3.25Å; T2614-L2618 WeakPolarHBondContact O-CG 3.33Å; T2614-L2618 PolarHBondContact O-N 2.99Å; T2614-I2626 HydrophobicContact CG2-CB 3.9Å; T2614-I2626 HydrophobicContact CG2-CD1 3.79Å; T2614-I2626 HydrophobicContact CG2-CG1 4.13Å |
| 2615 | A | 35.2 | Very low | 35.2 | Very low | 48 Ų | 48 | 112 Ų | 112 | 40% | 0.397 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -53.4 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S2611 C2612 S2617 L2618 A2619 | S2611-A2615 WeakPolarHBondContact O-CA 3.14Å; S2611-A2615 WeakPolarHBondContact O-CB 3.31Å; S2611-A2615 PolarHBondContact O-N 3.2Å; C2612-A2615 PolarHBondContact O-N 3.33Å; A2615-S2617 VanDerWaalsContact C-N 3.31Å; A2615-S2617 PolarHBondContact O-N 3.24Å; A2615-S2617 VanDerWaalsContact O-N 3.07Å; A2615-L2618 WeakPolarHBondContact O-CB 3.36Å; A2615-L2618 PolarHBondContact O-N 3.13Å; A2615-L2618 VanDerWaalsContact O-N 3.16Å; A2615-A2619 WeakPolarHBondContact O-CB 3.29Å; A2615-A2619 PolarHBondContact O-N 2.7Å |
| 2616 | V | 39.6 | Very low | 35.8 | Very low | 107.8 Ų | 107.8 | 105.9 Ų | 105.9 | 65% | 0.653 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72 | -16.4 | 169.8 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | C2612 T2614 L2618 A2619 S2620 | C2612-V2616 WeakPolarHBondContact O-CG2 3.41Å; C2612-V2616 PolarHBondContact O-N 3.04Å; C2612-V2616 VanDerWaalsContact O-N 3.12Å; T2614-V2616 PolarHBondContact O-N 3.09Å; V2616-L2618 PolarHBondContact O-N 3.05Å; V2616-A2619 PolarHBondContact O-N 3.11Å; V2616-S2620 WeakPolarHBondContact O-CB 3.19Å; V2616-S2620 PolarHBondContact O-N 2.97Å |
| 2617 | S | 31.6 | Very low | 36.2 | Very low | 82.8 Ų | 82.8 | 111.4 Ų | 111.4 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.1 | -14.2 | 173.8 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | T2613 T2614 A2615 A2619 S2620 | T2613-S2617 VanDerWaalsContact O-CB 3.31Å; T2613-S2617 WeakPolarHBondContact O-CB 3.43Å; T2613-S2617 PolarHBondContact O-N 3Å; T2613-S2617 PolarHBondContact O-OG 2.95Å; T2614-S2617 CarbonylContact O-C 3.52Å; T2614-S2617 VanDerWaalsContact O-CB 3.29Å; T2614-S2617 WeakPolarHBondContact O-CB 3.2Å; T2614-S2617 PolarHBondContact O-N 3.17Å; T2614-S2617 VanDerWaalsContact O-N 3.1Å; A2615-S2617 VanDerWaalsContact C-N 3.31Å; A2615-S2617 PolarHBondContact O-N 3.24Å; A2615-S2617 VanDerWaalsContact O-N 3.07Å; S2617-A2619 VanDerWaalsContact C-N 3.27Å; S2617-A2619 PolarHBondContact O-N 3.19Å; S2617-S2620 WeakPolarHBondContact O-CB 3.15Å; S2617-S2620 PolarHBondContact O-N 2.99Å; S2617-S2620 VanDerWaalsContact O-N 3.08Å |
| 2618 | L | 33.7 | Very low | 37 | Very low | 108.8 Ų | 108.8 | 105.8 Ų | 105.8 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -87.5 | -30.4 | 173.3 | -77.5 | 166.5 | 0 | 0 | 0 | 112.6 | T2614 A2615 V2616 S2620 G2621 R2622 N2624 | T2614-L2618 HydrophobicContact CG2-CD1 4.1Å; T2614-L2618 HydrophobicContact CG2-CG 4.1Å; T2614-L2618 VanDerWaalsContact O-CB 3.26Å; T2614-L2618 WeakPolarHBondContact O-CB 3.39Å; T2614-L2618 VanDerWaalsContact O-CG 3.25Å; T2614-L2618 WeakPolarHBondContact O-CG 3.33Å; T2614-L2618 PolarHBondContact O-N 2.99Å; A2615-L2618 WeakPolarHBondContact O-CB 3.36Å; A2615-L2618 PolarHBondContact O-N 3.13Å; A2615-L2618 VanDerWaalsContact O-N 3.16Å; V2616-L2618 PolarHBondContact O-N 3.05Å; L2618-S2620 PolarHBondContact O-N 3.16Å; L2618-S2620 VanDerWaalsContact O-N 3.1Å; L2618-G2621 PolarHBondContact O-N 3.08Å; L2618-R2622 PolarHBondContact O-N 2.98Å; L2618-N2624 WeakPolarHBondContact CD2-O 3.45Å |
| 2619 | A | 37 | Very low | 37.6 | Very low | 82 Ų | 82 | 103.5 Ų | 103.5 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -0.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A2615 V2616 S2617 G2621 R2622 | A2615-A2619 WeakPolarHBondContact O-CB 3.29Å; A2615-A2619 PolarHBondContact O-N 2.7Å; V2616-A2619 PolarHBondContact O-N 3.11Å; S2617-A2619 VanDerWaalsContact C-N 3.27Å; S2617-A2619 PolarHBondContact O-N 3.19Å; A2619-G2621 VanDerWaalsContact C-N 3.35Å; A2619-G2621 PolarHBondContact O-N 2.93Å; A2619-R2622 CarbonylContact O-C 3.21Å; A2619-R2622 PolarHBondContact O-N 3.16Å |
| 2620 | S | 35 | Very low | 38.7 | Very low | 92 Ų | 92 | 99.8 Ų | 99.8 | 64% | 0.643 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 64.4 | 170.2 | -166.1 | 0 | 0 | 0 | 0 | 114.5 | V2616 S2617 L2618 R2622 | V2616-S2620 WeakPolarHBondContact O-CB 3.19Å; V2616-S2620 PolarHBondContact O-N 2.97Å; S2617-S2620 WeakPolarHBondContact O-CB 3.15Å; S2617-S2620 PolarHBondContact O-N 2.99Å; S2617-S2620 VanDerWaalsContact O-N 3.08Å; L2618-S2620 PolarHBondContact O-N 3.16Å; L2618-S2620 VanDerWaalsContact O-N 3.1Å; S2620-R2622 VanDerWaalsContact C-N 3.29Å; S2620-R2622 WeakPolarHBondContact O-CB 3.31Å; S2620-R2622 PolarHBondContact O-N 3.28Å |
| 2621 | G | 32.5 | Very low | 40.4 | Very low | 75.4 Ų | 75.4 | 96.5 Ų | 96.5 | 78% | 0.777 | 60% | 0.598 | S | S | * | * | trans | 56.2 | 33.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | L2618 A2619 A2623 | L2618-G2621 PolarHBondContact O-N 3.08Å; A2619-G2621 VanDerWaalsContact C-N 3.35Å; A2619-G2621 PolarHBondContact O-N 2.93Å; G2621-A2623 PolarHBondContact O-N 3.31Å | ||
| 2622 | R | 33.7 | Very low | 42.1 | Very low | 220 Ų | 220 | 95.4 Ų | 95.4 | 83% | 0.83 | 59% | 0.586 | S | S | * | * | trans | -122 | 106 | 174.2 | -110.6 | 175.1 | 130.4 | 164.7 | -2.6 | 112.3 | L2618 A2619 S2620 N2624 | L2618-R2622 PolarHBondContact O-N 2.98Å; A2619-R2622 CarbonylContact O-C 3.21Å; A2619-R2622 PolarHBondContact O-N 3.16Å; S2620-R2622 VanDerWaalsContact C-N 3.29Å; S2620-R2622 WeakPolarHBondContact O-CB 3.31Å; S2620-R2622 PolarHBondContact O-N 3.28Å; R2622-N2624 PolarHBondContact O-N 3.3Å | ||
| 2623 | A | 36.6 | Very low | 44.1 | Very low | 88.6 Ų | 88.6 | 95.8 Ų | 95.8 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -77.7 | 33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G2621 T2625 | G2621-A2623 PolarHBondContact O-N 3.31Å; A2623-T2625 VanDerWaalsContact C-N 3.3Å; A2623-T2625 PolarHBondContact O-N 3.23Å |
| 2624 | N | 36.7 | Very low | 46 | Very low | 141.8 Ų | 141.8 | 92.9 Ų | 92.9 | 76% | 0.758 | 56% | 0.562 | S | S | * | * | trans | -97.7 | 58.1 | 177.2 | -76.8 | 15.7 | 0 | 0 | 0 | 111.3 | L2618 R2622 I2626 | L2618-N2624 WeakPolarHBondContact CD2-O 3.45Å; R2622-N2624 PolarHBondContact O-N 3.3Å; N2624-I2626 PolarHBondContact O-N 3.18Å; N2624-I2626 VanDerWaalsContact O-N 3.11Å | ||
| 2625 | T | 40.2 | Very low | 48.1 | Very low | 99.6 Ų | 99.6 | 90.1 Ų | 90.1 | 61% | 0.611 | 54% | 0.544 | S | S | * | . | trans | -73.4 | 114.7 | 171.9 | 41.9 | 0 | 0 | 0 | 0 | 110.5 | E2525 A2623 K2627 | E2525-T2625 PolarHBondContact OE1-OG1 2.68Å; E2525-T2625 WeakPolarHBondContact OE2-CB 3.32Å; E2525-T2625 PolarHBondContact OE2-OG1 3.1Å; A2623-T2625 VanDerWaalsContact C-N 3.3Å; A2623-T2625 PolarHBondContact O-N 3.23Å; T2625-K2627 VanDerWaalsContact C-N 3.29Å; T2625-K2627 PolarHBondContact O-N 3.21Å; T2625-K2627 VanDerWaalsContact O-N 3.13Å | ||
| 2626 | I | 46.5 | Very low | 50.2 | Low | 107.4 Ų | 107.4 | 91 Ų | 91 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | trans | -71.6 | 97.9 | 164.7 | -59.3 | 179 | 0 | 0 | 0 | 106.7 | T2614 N2624 V2628 | T2614-I2626 HydrophobicContact CG2-CB 3.9Å; T2614-I2626 HydrophobicContact CG2-CD1 3.79Å; T2614-I2626 HydrophobicContact CG2-CG1 4.13Å; N2624-I2626 PolarHBondContact O-N 3.18Å; N2624-I2626 VanDerWaalsContact O-N 3.11Å; I2626-V2628 PolarHBondContact O-N 2.91Å; I2626-V2628 VanDerWaalsContact O-N 3.15Å | ||
| 2627 | K | 42.7 | Very low | 52.3 | Low | 176.8 Ų | 176.8 | 88.7 Ų | 88.7 | 77% | 0.769 | 52% | 0.524 | S | S | * | . | trans | -60.5 | 115.2 | 172.5 | -72.3 | -170.7 | 173.4 | -171.1 | 0 | 109.2 | T2625 G2629 | T2625-K2627 VanDerWaalsContact C-N 3.29Å; T2625-K2627 PolarHBondContact O-N 3.21Å; T2625-K2627 VanDerWaalsContact O-N 3.13Å; K2627-G2629 VanDerWaalsContact C-N 3.32Å; K2627-G2629 PolarHBondContact O-N 3.18Å | ||
| 2628 | V | 52.5 | Low | 54.7 | Low | 69.2 Ų | 69.2 | 84.8 Ų | 84.8 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | trans | -70.3 | 93.8 | 170 | -175 | 0 | 0 | 0 | 0 | 107 | I2522 F2526 I2626 S2630 H2633 C2634 | I2522-V2628 HydrophobicContact CD1-CG2 4.4Å; I2522-V2628 HydrophobicContact CG2-CG2 3.9Å; F2526-V2628 HydrophobicContact CZ-CB 4.37Å; F2526-V2628 WeakPolarHBondContact CZ-O 3.11Å; I2626-V2628 PolarHBondContact O-N 2.91Å; I2626-V2628 VanDerWaalsContact O-N 3.15Å; V2628-S2630 VanDerWaalsContact C-N 3.31Å; V2628-S2630 PolarHBondContact O-N 3.1Å; V2628-S2630 VanDerWaalsContact O-N 3.07Å; V2628-H2633 HydrophobicContact CG1-CB 3.73Å; V2628-C2634 HydrophobicContact CG1-CB 4.45Å; V2628-C2634 VanDerWaalsContact CG1-SG 3.54Å; V2628-C2634 WeakPolarHBondContact CG1-SG 3.32Å | ||
| 2629 | G | 47.4 | Very low | 57.1 | Low | 66.8 Ų | 66.8 | 79.6 Ų | 79.6 | 69% | 0.689 | 47% | 0.47 | S | S | * | . | trans | -75.5 | 4.5 | -159.1 | 0 | 0 | 0 | 0 | 0 | 117 | K2627 | K2627-G2629 VanDerWaalsContact C-N 3.32Å; K2627-G2629 PolarHBondContact O-N 3.18Å | ||
| 2630 | S | 61.2 | Low | 59.3 | Low | 47.8 Ų | 47.8 | 77.5 Ų | 77.5 | 33% | 0.334 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -162.6 | 148.4 | 174.6 | 62 | 0 | 0 | 0 | 0 | 111.3 | V2628 L2632 H2633 | V2628-S2630 VanDerWaalsContact C-N 3.31Å; V2628-S2630 PolarHBondContact O-N 3.1Å; V2628-S2630 VanDerWaalsContact O-N 3.07Å; S2630-L2632 PolarHBondContact O-N 3.16Å; S2630-L2632 VanDerWaalsContact O-N 3.15Å; S2630-H2633 WeakPolarHBondContact O-CB 3.41Å; S2630-H2633 PolarHBondContact O-N 3.08Å; S2630-H2633 PolarHBondContact OG-CD2 3.28Å; S2630-H2633 PolarHBondContact OG-N 2.9Å |
| 2631 | D | 67.1 | Low | 61.7 | Low | 108.4 Ų | 108.4 | 74.3 Ų | 74.3 | 58% | 0.58 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -52.7 | -36.8 | 175.8 | -47.8 | -7.5 | 0 | 0 | 0 | 111.5 | F2526 H2633 C2634 V2635 | F2526-D2631 WeakPolarHBondContact CZ-OD1 3.29Å; D2631-H2633 VanDerWaalsContact C-N 3.29Å; D2631-H2633 PolarHBondContact O-N 3.14Å; D2631-C2634 WeakPolarHBondContact O-CA 3.34Å; D2631-C2634 VanDerWaalsContact O-CB 3.3Å; D2631-C2634 WeakPolarHBondContact O-CB 3.43Å; D2631-C2634 PolarHBondContact O-N 2.98Å; D2631-C2634 VanDerWaalsContact O-N 3.14Å; D2631-V2635 WeakPolarHBondContact O-CG2 3.36Å; D2631-V2635 PolarHBondContact O-N 3.13Å |
| 2632 | L | 72.5 | Confident | 64.3 | Low | 52.2 Ų | 52.2 | 70.7 Ų | 70.7 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.2 | -36.1 | 176.1 | 177.6 | 57 | 0 | 0 | 0 | 112.9 | S2630 V2635 Q2636 L2823 T2826 | S2630-L2632 PolarHBondContact O-N 3.16Å; S2630-L2632 VanDerWaalsContact O-N 3.15Å; L2632-V2635 HydrophobicContact CD1-CG1 4.44Å; L2632-V2635 PolarHBondContact O-N 2.96Å; L2632-Q2636 HydrophobicContact CD1-CG 4.01Å; L2632-Q2636 HydrophobicContact CG-CG 4.34Å; L2632-Q2636 VanDerWaalsContact O-CB 3.29Å; L2632-Q2636 WeakPolarHBondContact O-CB 3.28Å; L2632-Q2636 WeakPolarHBondContact O-CG 3.38Å; L2632-Q2636 PolarHBondContact O-N 3.08Å; L2632-L2823 HydrophobicContact CD1-CD2 4.29Å; L2632-T2826 HydrophobicContact CD1-CG2 3.8Å; L2632-T2826 WeakPolarHBondContact CD1-OG1 3.23Å; L2632-T2826 HydrophobicContact CD2-CG2 4.03Å; L2632-T2826 HydrophobicContact CG-CG2 4.39Å |
| 2633 | H | 75 | Confident | 66.7 | Low | 96 Ų | 96 | 61.1 Ų | 61.1 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.6 | -32.6 | 176.3 | -87.2 | -42.1 | 0 | 0 | 0 | 112.3 | V2628 S2630 D2631 Q2636 L2637 | V2628-H2633 HydrophobicContact CG1-CB 3.73Å; S2630-H2633 WeakPolarHBondContact O-CB 3.41Å; S2630-H2633 PolarHBondContact O-N 3.08Å; S2630-H2633 PolarHBondContact OG-CD2 3.28Å; S2630-H2633 PolarHBondContact OG-N 2.9Å; D2631-H2633 VanDerWaalsContact C-N 3.29Å; D2631-H2633 PolarHBondContact O-N 3.14Å; H2633-Q2636 PolarHBondContact ND1-OE1 3.17Å; H2633-L2637 VanDerWaalsContact O-CB 3.31Å; H2633-L2637 WeakPolarHBondContact O-CB 3.43Å; H2633-L2637 VanDerWaalsContact O-CG 3.29Å; H2633-L2637 WeakPolarHBondContact O-CG 3.39Å; H2633-L2637 PolarHBondContact O-N 3.04Å |
| 2634 | C | 75.6 | Confident | 69 | Low | 17 Ų | 17 | 59.6 Ų | 59.6 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 170.2 | -72.8 | 0 | 0 | 0 | 0 | 110.3 | I2522 V2628 D2631 Q2636 L2637 V2638 | I2522-C2634 HydrophobicContact CG2-CB 3.62Å; V2628-C2634 HydrophobicContact CG1-CB 4.45Å; V2628-C2634 VanDerWaalsContact CG1-SG 3.54Å; V2628-C2634 WeakPolarHBondContact CG1-SG 3.32Å; D2631-C2634 WeakPolarHBondContact O-CA 3.34Å; D2631-C2634 VanDerWaalsContact O-CB 3.3Å; D2631-C2634 WeakPolarHBondContact O-CB 3.43Å; D2631-C2634 PolarHBondContact O-N 2.98Å; D2631-C2634 VanDerWaalsContact O-N 3.14Å; C2634-Q2636 VanDerWaalsContact C-N 3.34Å; C2634-Q2636 PolarHBondContact O-N 3.29Å; C2634-L2637 WeakPolarHBondContact O-CA 3.39Å; C2634-L2637 WeakPolarHBondContact O-CB 3.42Å; C2634-L2637 PolarHBondContact O-N 2.99Å; C2634-V2638 VanDerWaalsContact O-CG2 3.24Å; C2634-V2638 WeakPolarHBondContact O-CG2 3.44Å; C2634-V2638 PolarHBondContact O-N 3.21Å |
| 2635 | V | 78.2 | Confident | 71.5 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 177 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | D2631 L2632 L2637 V2638 A2639 W2815 I2819 Q2822 L2823 | D2631-V2635 WeakPolarHBondContact O-CG2 3.36Å; D2631-V2635 PolarHBondContact O-N 3.13Å; L2632-V2635 HydrophobicContact CD1-CG1 4.44Å; L2632-V2635 PolarHBondContact O-N 2.96Å; V2635-L2637 VanDerWaalsContact C-N 3.34Å; V2635-L2637 PolarHBondContact O-N 2.94Å; V2635-V2638 PolarHBondContact O-N 3.12Å; V2635-A2639 VanDerWaalsContact O-CB 3.3Å; V2635-A2639 WeakPolarHBondContact O-CB 3.38Å; V2635-A2639 PolarHBondContact O-N 3.25Å; V2635-W2815 HydrophobicContact CG2-CH2 4.04Å; V2635-W2815 HydrophobicContact CG2-CZ3 4.14Å; V2635-I2819 HydrophobicContact CB-CG2 4.47Å; V2635-I2819 HydrophobicContact CG1-CG2 3.81Å; V2635-Q2822 HydrophobicContact CG1-CB 4.17Å; V2635-Q2822 HydrophobicContact CG2-CB 4.15Å; V2635-Q2822 VanDerWaalsContact CG2-OE1 3.26Å; V2635-L2823 HydrophobicContact CG1-CD2 3.59Å; V2635-L2823 HydrophobicContact CG1-CG 3.69Å |
| 2636 | Q | 79.8 | Confident | 73.7 | Confident | 66.4 Ų | 66.4 | 49.6 Ų | 49.6 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.6 | -89.5 | 170 | -10.8 | 0 | 0 | 112.3 | L2632 H2633 C2634 A2639 S2640 L2823 L2992 | L2632-Q2636 HydrophobicContact CD1-CG 4.01Å; L2632-Q2636 HydrophobicContact CG-CG 4.34Å; L2632-Q2636 VanDerWaalsContact O-CB 3.29Å; L2632-Q2636 WeakPolarHBondContact O-CB 3.28Å; L2632-Q2636 WeakPolarHBondContact O-CG 3.38Å; L2632-Q2636 PolarHBondContact O-N 3.08Å; H2633-Q2636 PolarHBondContact ND1-OE1 3.17Å; C2634-Q2636 VanDerWaalsContact C-N 3.34Å; C2634-Q2636 PolarHBondContact O-N 3.29Å; Q2636-A2639 PolarHBondContact O-N 3.37Å; Q2636-S2640 WeakPolarHBondContact O-CB 3.44Å; Q2636-S2640 PolarHBondContact O-N 3.1Å; Q2636-S2640 PolarHBondContact O-OG 3.05Å; Q2636-L2823 HydrophobicContact CG-CD2 4.24Å; Q2636-L2992 HydrophobicContact CG-CD1 4.33Å; Q2636-L2992 VanDerWaalsContact O-CD2 3.29Å; Q2636-L2992 WeakPolarHBondContact O-CD2 3.34Å |
| 2637 | L | 82.2 | Confident | 75.6 | Confident | 58.8 Ų | 58.8 | 47.7 Ų | 47.7 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 176.2 | -160.5 | 154.6 | 0 | 0 | 0 | 111.3 | L2519 I2522 H2633 C2634 V2635 A2639 S2640 V2641 | L2519-L2637 HydrophobicContact CD2-CD2 4.38Å; I2522-L2637 HydrophobicContact CD1-CD2 4.15Å; H2633-L2637 VanDerWaalsContact O-CB 3.31Å; H2633-L2637 WeakPolarHBondContact O-CB 3.43Å; H2633-L2637 VanDerWaalsContact O-CG 3.29Å; H2633-L2637 WeakPolarHBondContact O-CG 3.39Å; H2633-L2637 PolarHBondContact O-N 3.04Å; C2634-L2637 WeakPolarHBondContact O-CA 3.39Å; C2634-L2637 WeakPolarHBondContact O-CB 3.42Å; C2634-L2637 PolarHBondContact O-N 2.99Å; V2635-L2637 VanDerWaalsContact C-N 3.34Å; V2635-L2637 PolarHBondContact O-N 2.94Å; L2637-A2639 VanDerWaalsContact C-N 3.33Å; L2637-A2639 PolarHBondContact O-N 3.09Å; L2637-S2640 PolarHBondContact O-N 3.18Å; L2637-S2640 VanDerWaalsContact O-N 3.12Å; L2637-S2640 PolarHBondContact O-OG 3.13Å; L2637-S2640 VanDerWaalsContact O-OG 3.06Å; L2637-V2641 HydrophobicContact CD2-CG2 4.36Å; L2637-V2641 VanDerWaalsContact O-CG2 3.31Å; L2637-V2641 WeakPolarHBondContact O-CG2 3.3Å; L2637-V2641 PolarHBondContact O-N 3.11Å; L2637-V2641 VanDerWaalsContact O-N 3.14Å |
| 2638 | V | 83.4 | Confident | 77.7 | Confident | 2.4 Ų | 2.4 | 40.6 Ų | 40.6 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.8 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | L2519 C2634 V2635 S2640 V2641 G2642 F2811 W2815 I2819 L2999 | L2519-V2638 HydrophobicContact CD1-CG1 4.04Å; L2519-V2638 HydrophobicContact CD2-CB 3.91Å; L2519-V2638 HydrophobicContact CD2-CG1 3.63Å; L2519-V2638 HydrophobicContact CD2-CG2 3.57Å; L2519-V2638 VanDerWaalsContact CD2-CG2 3.48Å; L2519-V2638 HydrophobicContact CG-CG1 4.47Å; C2634-V2638 VanDerWaalsContact O-CG2 3.24Å; C2634-V2638 WeakPolarHBondContact O-CG2 3.44Å; C2634-V2638 PolarHBondContact O-N 3.21Å; V2635-V2638 PolarHBondContact O-N 3.12Å; V2638-S2640 VanDerWaalsContact C-N 3.28Å; V2638-S2640 PolarHBondContact O-N 3.2Å; V2638-V2641 WeakPolarHBondContact O-CB 3.41Å; V2638-V2641 PolarHBondContact O-N 3.27Å; V2638-V2641 VanDerWaalsContact O-N 3.1Å; V2638-G2642 PolarHBondContact O-N 3.2Å; V2638-F2811 HydrophobicContact CG1-CD2 4.32Å; V2638-F2811 HydrophobicContact CG1-CE2 4.26Å; V2638-W2815 HydrophobicContact CG2-CZ2 4.04Å; V2638-I2819 HydrophobicContact CB-CD1 3.55Å; V2638-I2819 HydrophobicContact CG1-CD1 3.41Å; V2638-I2819 VanDerWaalsContact CG1-CD1 3.43Å; V2638-I2819 HydrophobicContact CG2-CD1 4.01Å; V2638-L2999 HydrophobicContact CG1-CD1 3.91Å; V2638-L2999 WeakPolarHBondContact O-CD1 3.28Å |
| 2639 | A | 83.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V2635 Q2636 L2637 G2642 A2643 L2823 L2992 A2996 | V2635-A2639 VanDerWaalsContact O-CB 3.3Å; V2635-A2639 WeakPolarHBondContact O-CB 3.38Å; V2635-A2639 PolarHBondContact O-N 3.25Å; Q2636-A2639 PolarHBondContact O-N 3.37Å; L2637-A2639 VanDerWaalsContact C-N 3.33Å; L2637-A2639 PolarHBondContact O-N 3.09Å; A2639-G2642 PolarHBondContact O-N 3.32Å; A2639-A2643 PolarHBondContact O-N 2.96Å; A2639-L2823 HydrophobicContact CB-CD1 3.83Å; A2639-L2992 HydrophobicContact CB-CB 4.34Å; A2639-L2992 HydrophobicContact CB-CD2 3.99Å; A2639-A2996 HydrophobicContact CB-CB 4.23Å |
| 2640 | S | 82.5 | Confident | 81.2 | Confident | 37.2 Ų | 37.2 | 38.6 Ų | 38.6 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.3 | -34.2 | 174.5 | 74.2 | 0 | 0 | 0 | 0 | 112.9 | Q2636 L2637 V2638 G2642 A2643 A2644 | Q2636-S2640 WeakPolarHBondContact O-CB 3.44Å; Q2636-S2640 PolarHBondContact O-N 3.1Å; Q2636-S2640 PolarHBondContact O-OG 3.05Å; L2637-S2640 PolarHBondContact O-N 3.18Å; L2637-S2640 VanDerWaalsContact O-N 3.12Å; L2637-S2640 PolarHBondContact O-OG 3.13Å; L2637-S2640 VanDerWaalsContact O-OG 3.06Å; V2638-S2640 VanDerWaalsContact C-N 3.28Å; V2638-S2640 PolarHBondContact O-N 3.2Å; S2640-G2642 VanDerWaalsContact C-N 3.33Å; S2640-G2642 PolarHBondContact O-N 3.03Å; S2640-A2643 PolarHBondContact O-N 3.07Å; S2640-A2644 WeakPolarHBondContact O-CB 3.38Å; S2640-A2644 PolarHBondContact O-N 3.03Å; S2640-A2644 VanDerWaalsContact O-N 3.08Å |
| 2641 | V | 86.6 | Confident | 82.5 | Confident | 23.8 Ų | 23.8 | 40.3 Ų | 40.3 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 170 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | L2519 L2637 V2638 A2643 A2644 L2645 F2807 | L2519-V2641 HydrophobicContact CD1-CG2 4.13Å; L2637-V2641 HydrophobicContact CD2-CG2 4.36Å; L2637-V2641 VanDerWaalsContact O-CG2 3.31Å; L2637-V2641 WeakPolarHBondContact O-CG2 3.3Å; L2637-V2641 PolarHBondContact O-N 3.11Å; L2637-V2641 VanDerWaalsContact O-N 3.14Å; V2638-V2641 WeakPolarHBondContact O-CB 3.41Å; V2638-V2641 PolarHBondContact O-N 3.27Å; V2638-V2641 VanDerWaalsContact O-N 3.1Å; V2641-A2643 VanDerWaalsContact C-N 3.35Å; V2641-A2643 PolarHBondContact O-N 3.12Å; V2641-A2644 PolarHBondContact O-N 3.03Å; V2641-A2644 VanDerWaalsContact O-N 3.08Å; V2641-L2645 HydrophobicContact CG1-CD1 3.99Å; V2641-L2645 HydrophobicContact CG1-CG 4.42Å; V2641-L2645 VanDerWaalsContact O-CG 3.29Å; V2641-L2645 WeakPolarHBondContact O-CG 3.44Å; V2641-L2645 PolarHBondContact O-N 3.3Å; V2641-L2645 VanDerWaalsContact O-N 3.13Å; V2641-F2807 HydrophobicContact CG1-CE2 3.97Å; V2641-F2807 HydrophobicContact CG1-CZ 3.9Å |
| 2642 | G | 85.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.6 | -49.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2638 A2639 S2640 A2644 L2645 I2646 F2998 | V2638-G2642 PolarHBondContact O-N 3.2Å; A2639-G2642 PolarHBondContact O-N 3.32Å; S2640-G2642 VanDerWaalsContact C-N 3.33Å; S2640-G2642 PolarHBondContact O-N 3.03Å; G2642-A2644 VanDerWaalsContact C-N 3.29Å; G2642-A2644 PolarHBondContact O-N 3.15Å; G2642-L2645 PolarHBondContact O-N 2.99Å; G2642-L2645 VanDerWaalsContact O-N 3.13Å; G2642-I2646 PolarHBondContact O-N 3.09Å; G2642-F2998 VanDerWaalsContact O-CD1 3.27Å; G2642-F2998 WeakPolarHBondContact O-CD1 3.39Å |
| 2643 | A | 84.2 | Confident | 84.1 | Confident | 19.2 Ų | 19.2 | 32.9 Ų | 32.9 | 16% | 0.159 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -34.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A2639 S2640 V2641 L2645 Q2991 | A2639-A2643 PolarHBondContact O-N 2.96Å; S2640-A2643 PolarHBondContact O-N 3.07Å; V2641-A2643 VanDerWaalsContact C-N 3.35Å; V2641-A2643 PolarHBondContact O-N 3.12Å; A2643-L2645 VanDerWaalsContact C-N 3.31Å; A2643-L2645 PolarHBondContact O-N 3.23Å; A2643-Q2991 HydrophobicContact CB-CG 3.85Å |
| 2644 | A | 86.6 | Confident | 84.5 | Confident | 55.8 Ų | 55.8 | 32.6 Ų | 32.6 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -73.9 | -24.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2640 V2641 G2642 P2647 | S2640-A2644 WeakPolarHBondContact O-CB 3.38Å; S2640-A2644 PolarHBondContact O-N 3.03Å; S2640-A2644 VanDerWaalsContact O-N 3.08Å; V2641-A2644 PolarHBondContact O-N 3.03Å; V2641-A2644 VanDerWaalsContact O-N 3.08Å; G2642-A2644 VanDerWaalsContact C-N 3.29Å; G2642-A2644 PolarHBondContact O-N 3.15Å; A2644-P2647 WeakPolarHBondContact O-CD 3.41Å |
| 2645 | L | 87.7 | Confident | 85 | Confident | 8.2 Ų | 8.2 | 33.1 Ų | 33.1 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -82.8 | -23.5 | 179.8 | -71.1 | 172.3 | 0 | 0 | 0 | 113.7 | F2508 L2512 V2641 G2642 A2643 P2647 V2648 W2649 L2804 F2807 F2998 L2999 | F2508-L2645 HydrophobicContact CZ-CD2 4.49Å; L2512-L2645 HydrophobicContact CD1-CD1 4.1Å; L2512-L2645 HydrophobicContact CD1-CD2 4.06Å; L2512-L2645 HydrophobicContact CD2-CD2 3.65Å; V2641-L2645 HydrophobicContact CG1-CD1 3.99Å; V2641-L2645 HydrophobicContact CG1-CG 4.42Å; V2641-L2645 VanDerWaalsContact O-CG 3.29Å; V2641-L2645 WeakPolarHBondContact O-CG 3.44Å; V2641-L2645 PolarHBondContact O-N 3.3Å; V2641-L2645 VanDerWaalsContact O-N 3.13Å; G2642-L2645 PolarHBondContact O-N 2.99Å; G2642-L2645 VanDerWaalsContact O-N 3.13Å; A2643-L2645 VanDerWaalsContact C-N 3.31Å; A2643-L2645 PolarHBondContact O-N 3.23Å; L2645-P2647 VanDerWaalsContact C-CD 3.47Å; L2645-V2648 CarbonylContact O-C 3.4Å; L2645-V2648 WeakPolarHBondContact O-CA 3.31Å; L2645-V2648 WeakPolarHBondContact O-CB 3.28Å; L2645-V2648 PolarHBondContact O-N 2.99Å; L2645-V2648 VanDerWaalsContact O-N 3.1Å; L2645-W2649 WeakPolarHBondContact O-CB 3.44Å; L2645-W2649 PolarHBondContact O-N 3.25Å; L2645-L2804 HydrophobicContact CD2-CD2 4.35Å; L2645-F2807 HydrophobicContact CD1-CD1 4.18Å; L2645-F2807 HydrophobicContact CD1-CE1 3.54Å; L2645-F2807 HydrophobicContact CD1-CE2 4.24Å; L2645-F2807 HydrophobicContact CD1-CZ 3.58Å; L2645-F2998 HydrophobicContact CB-CE1 3.74Å; L2645-F2998 HydrophobicContact CB-CZ 4.21Å; L2645-F2998 HydrophobicContact CD1-CE1 4.46Å; L2645-L2999 HydrophobicContact CD1-CD2 4.45Å |
| 2646 | I | 86.3 | Confident | 85.4 | Confident | 23.8 Ų | 23.8 | 33.6 Ų | 33.6 | 12% | 0.122 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -48.3 | -47.8 | -177.8 | -74.4 | 168.8 | 0 | 0 | 0 | 114.1 | G2642 V2648 W2649 Q2650 C2966 T2994 F2998 | G2642-I2646 PolarHBondContact O-N 3.09Å; I2646-V2648 VanDerWaalsContact C-N 3.29Å; I2646-V2648 PolarHBondContact O-N 3.27Å; I2646-W2649 WeakPolarHBondContact O-CB 3.39Å; I2646-W2649 PolarHBondContact O-N 3.12Å; I2646-W2649 VanDerWaalsContact O-N 3.14Å; I2646-Q2650 HydrophobicContact CG2-CG 4.2Å; I2646-Q2650 WeakPolarHBondContact O-CG 3.32Å; I2646-Q2650 PolarHBondContact O-N 3.12Å; I2646-C2966 HydrophobicContact CG2-CB 4.04Å; I2646-T2994 HydrophobicContact CD1-CG2 3.91Å; I2646-F2998 HydrophobicContact CD1-CB 4.03Å; I2646-F2998 HydrophobicContact CD1-CG 4.28Å; I2646-F2998 HydrophobicContact CG1-CB 4.02Å; I2646-F2998 HydrophobicContact CG1-CD1 3.97Å; I2646-F2998 HydrophobicContact CG1-CD2 4.06Å; I2646-F2998 HydrophobicContact CG1-CE1 4.49Å; I2646-F2998 HydrophobicContact CG1-CG 3.71Å |
| 2647 | P | 86.3 | Confident | 85.7 | Confident | 68.2 Ų | 68.2 | 31.6 Ų | 31.6 | 44% | 0.443 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -33.4 | -179.3 | -20 | 34 | 0 | 0 | 0 | 112.9 | A2644 L2645 W2649 Q2650 W2651 | A2644-P2647 WeakPolarHBondContact O-CD 3.41Å; L2645-P2647 VanDerWaalsContact C-CD 3.47Å; P2647-W2649 VanDerWaalsContact C-N 3.3Å; P2647-W2649 PolarHBondContact O-N 3.29Å; P2647-Q2650 PolarHBondContact O-N 2.7Å; P2647-W2651 WeakPolarHBondContact O-CB 3.32Å; P2647-W2651 PolarHBondContact O-N 3.12Å; P2647-W2651 VanDerWaalsContact O-N 3.14Å |
| 2648 | V | 88 | Confident | 85.8 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.2 | -38.8 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | F2508 L2645 I2646 W2651 I2652 I2800 | F2508-V2648 HydrophobicContact CE1-CG1 3.91Å; F2508-V2648 HydrophobicContact CZ-CG1 4.14Å; F2508-V2648 HydrophobicContact CZ-CG2 4.09Å; L2645-V2648 CarbonylContact O-C 3.4Å; L2645-V2648 WeakPolarHBondContact O-CA 3.31Å; L2645-V2648 WeakPolarHBondContact O-CB 3.28Å; L2645-V2648 PolarHBondContact O-N 2.99Å; L2645-V2648 VanDerWaalsContact O-N 3.1Å; I2646-V2648 VanDerWaalsContact C-N 3.29Å; I2646-V2648 PolarHBondContact O-N 3.27Å; V2648-W2651 PolarHBondContact O-N 2.92Å; V2648-I2652 WeakPolarHBondContact O-CB 3.36Å; V2648-I2652 WeakPolarHBondContact O-CG2 3.31Å; V2648-I2652 PolarHBondContact O-N 3.03Å; V2648-I2800 HydrophobicContact CG1-CG2 4.38Å |
| 2649 | W | 87.7 | Confident | 85.9 | Confident | 15.4 Ų | 15.4 | 31.8 Ų | 31.8 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -45.2 | 177.3 | -172.6 | -110.3 | 0 | 0 | 0 | 113.2 | L2645 I2646 P2647 W2651 I2652 T2653 L2804 F2808 W2961 C2966 F2998 V3002 L3008 W3012 | L2645-W2649 WeakPolarHBondContact O-CB 3.44Å; L2645-W2649 PolarHBondContact O-N 3.25Å; I2646-W2649 WeakPolarHBondContact O-CB 3.39Å; I2646-W2649 PolarHBondContact O-N 3.12Å; I2646-W2649 VanDerWaalsContact O-N 3.14Å; P2647-W2649 VanDerWaalsContact C-N 3.3Å; P2647-W2649 PolarHBondContact O-N 3.29Å; W2649-W2651 VanDerWaalsContact C-N 3.29Å; W2649-W2651 PolarHBondContact O-N 3.07Å; W2649-I2652 HydrophobicContact CD2-CG2 4.39Å; W2649-I2652 HydrophobicContact CE3-CG2 3.84Å; W2649-I2652 HydrophobicContact CZ3-CG2 4.08Å; W2649-I2652 VanDerWaalsContact O-CG2 3.32Å; W2649-I2652 WeakPolarHBondContact O-CG2 3.32Å; W2649-I2652 PolarHBondContact O-N 2.85Å; W2649-T2653 HydrophobicContact CD2-CG2 3.78Å; W2649-T2653 VanDerWaalsContact CE2-CG2 3.45Å; W2649-T2653 HydrophobicContact CE3-CG2 4.31Å; W2649-T2653 HydrophobicContact CG-CG2 4.17Å; W2649-T2653 HydrophobicContact CH2-CG2 4.31Å; W2649-T2653 HydrophobicContact CZ2-CG2 3.79Å; W2649-T2653 VanDerWaalsContact O-CB 3.25Å; W2649-T2653 WeakPolarHBondContact O-CB 3.36Å; W2649-T2653 VanDerWaalsContact O-CG2 3.25Å; W2649-T2653 WeakPolarHBondContact O-CG2 3.02Å; W2649-T2653 PolarHBondContact O-N 3.24Å; W2649-T2653 PolarHBondContact O-OG1 3.16Å; W2649-L2804 HydrophobicContact CE3-CD1 4.26Å; W2649-L2804 HydrophobicContact CZ3-CD1 4.18Å; W2649-F2808 HydrophobicContact CE3-CE2 4.16Å; W2649-F2808 HydrophobicContact CE3-CZ 4.14Å; W2649-F2808 AromaticContact CH2-CE2 3.87Å; W2649-F2808 HydrophobicContact CH2-CE2 4.01Å; W2649-F2808 HydrophobicContact CH2-CZ 4.38Å; W2649-F2808 AromaticContact CZ3-CE2 3.59Å; W2649-F2808 HydrophobicContact CZ3-CE2 3.59Å; W2649-F2808 AromaticContact CZ3-CZ 3.96Å; W2649-F2808 HydrophobicContact CZ3-CZ 4.01Å; W2649-W2961 AromaticContact CE2-CZ3 3.82Å; W2649-W2961 HydrophobicContact CH2-CH2 4.27Å; W2649-W2961 HydrophobicContact CH2-CZ3 4.28Å; W2649-W2961 AromaticContact CZ2-CH2 3.78Å; W2649-W2961 HydrophobicContact CZ2-CH2 3.78Å; W2649-W2961 AromaticContact CZ2-CZ3 3.49Å; W2649-W2961 HydrophobicContact CZ2-CZ3 3.49Å; W2649-W2961 VanDerWaalsContact CZ2-CZ3 3.44Å; W2649-W2961 AromaticContact NE1-CH2 3.88Å; W2649-W2961 AromaticContact NE1-CZ3 3.58Å; W2649-W2961 VanDerWaalsContact NE1-CZ3 3.3Å; W2649-C2966 VanDerWaalsContact CD1-SG 3.51Å; W2649-F2998 HydrophobicContact CB-CE2 3.83Å; W2649-F2998 HydrophobicContact CB-CZ 3.94Å; W2649-F2998 AromaticContact CD1-CE2 3.53Å; W2649-F2998 AromaticContact CD2-CE2 3.97Å; W2649-F2998 HydrophobicContact CD2-CE2 4.03Å; W2649-F2998 HydrophobicContact CD2-CZ 4.3Å; W2649-F2998 AromaticContact CG-CE2 3.49Å; W2649-F2998 HydrophobicContact CG-CE2 3.49Å; W2649-F2998 VanDerWaalsContact CG-CE2 3.48Å; W2649-F2998 AromaticContact CG-CZ 3.92Å; W2649-F2998 HydrophobicContact CG-CZ 3.92Å; W2649-F2998 AromaticContact NE1-CE2 3.96Å; W2649-V3002 HydrophobicContact CD2-CG1 4.2Å; W2649-V3002 HydrophobicContact CE3-CG1 4.38Å; W2649-V3002 HydrophobicContact CH2-CG1 3.77Å; W2649-V3002 HydrophobicContact CZ2-CB 4.46Å; W2649-V3002 HydrophobicContact CZ2-CG1 3.31Å; W2649-V3002 HydrophobicContact CZ2-CG2 4.32Å; W2649-V3002 HydrophobicContact CZ3-CG1 4.28Å; W2649-L3008 HydrophobicContact CH2-CD1 3.67Å; W2649-L3008 HydrophobicContact CH2-CD2 3.58Å; W2649-L3008 HydrophobicContact CH2-CG 4.25Å; W2649-L3008 HydrophobicContact CZ2-CD1 4.33Å; W2649-L3008 HydrophobicContact CZ2-CD2 3.72Å; W2649-L3008 HydrophobicContact CZ3-CD1 4.22Å; W2649-W3012 AromaticContact CH2-CH2 3.66Å; W2649-W3012 HydrophobicContact CH2-CH2 3.66Å; W2649-W3012 AromaticContact CH2-CZ3 3.86Å; W2649-W3012 HydrophobicContact CH2-CZ3 3.98Å; W2649-W3012 AromaticContact CZ2-CH2 3.96Å; W2649-W3012 HydrophobicContact CZ2-CH2 4.13Å; W2649-W3012 HydrophobicContact CZ3-CH2 4.24Å; W2649-W3012 HydrophobicContact CZ3-CZ3 4.45Å |
| 2650 | Q | 85.4 | Confident | 86 | Confident | 78 Ų | 78 | 32.4 Ų | 32.4 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.9 | -72.3 | 172.2 | -29.7 | 0 | 0 | 111.2 | I2646 P2647 T2653 M2654 G2962 | I2646-Q2650 HydrophobicContact CG2-CG 4.2Å; I2646-Q2650 WeakPolarHBondContact O-CG 3.32Å; I2646-Q2650 PolarHBondContact O-N 3.12Å; P2647-Q2650 PolarHBondContact O-N 2.7Å; Q2650-T2653 WeakPolarHBondContact O-CB 3.03Å; Q2650-T2653 PolarHBondContact O-N 3.12Å; Q2650-T2653 PolarHBondContact O-OG1 2.64Å; Q2650-T2653 VanDerWaalsContact O-OG1 3.13Å; Q2650-M2654 WeakPolarHBondContact O-CB 3.41Å; Q2650-M2654 WeakPolarHBondContact O-CG 3.43Å; Q2650-M2654 PolarHBondContact O-N 3.33Å; Q2650-M2654 VanDerWaalsContact O-N 3.12Å; Q2650-G2962 WeakPolarHBondContact CG-O 3.46Å |
| 2651 | W | 87.8 | Confident | 86 | Confident | 83.4 Ų | 83.4 | 31.5 Ų | 31.5 | 32% | 0.316 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 177.1 | 172.2 | 79.9 | 0 | 0 | 0 | 112.9 | P2647 V2648 W2649 T2653 M2654 A2655 H2796 L2797 I2800 | P2647-W2651 WeakPolarHBondContact O-CB 3.32Å; P2647-W2651 PolarHBondContact O-N 3.12Å; P2647-W2651 VanDerWaalsContact O-N 3.14Å; V2648-W2651 PolarHBondContact O-N 2.92Å; W2649-W2651 VanDerWaalsContact C-N 3.29Å; W2649-W2651 PolarHBondContact O-N 3.07Å; W2651-T2653 VanDerWaalsContact C-N 3.33Å; W2651-T2653 PolarHBondContact O-N 3.15Å; W2651-M2654 PolarHBondContact O-N 3.2Å; W2651-A2655 WeakPolarHBondContact O-CB 3.34Å; W2651-A2655 PolarHBondContact O-N 3.18Å; W2651-A2655 VanDerWaalsContact O-N 3.09Å; W2651-H2796 AromaticContact CH2-CD2 3.97Å; W2651-H2796 AromaticContact CZ2-NE2 3.99Å; W2651-L2797 HydrophobicContact CH2-CD1 4.24Å; W2651-L2797 HydrophobicContact CZ3-CD1 4.28Å; W2651-I2800 HydrophobicContact CH2-CD1 4.09Å; W2651-I2800 HydrophobicContact CZ3-CD1 3.72Å |
| 2652 | I | 88.5 | Confident | 85.9 | Confident | 0.8 Ų | 0.8 | 32.3 Ų | 32.3 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -35.3 | -178.7 | -159.1 | 176.8 | 0 | 0 | 0 | 111.7 | V2648 W2649 A2655 M2656 L2797 I2800 L2801 L2804 | V2648-I2652 WeakPolarHBondContact O-CB 3.36Å; V2648-I2652 WeakPolarHBondContact O-CG2 3.31Å; V2648-I2652 PolarHBondContact O-N 3.03Å; W2649-I2652 HydrophobicContact CD2-CG2 4.39Å; W2649-I2652 HydrophobicContact CE3-CG2 3.84Å; W2649-I2652 HydrophobicContact CZ3-CG2 4.08Å; W2649-I2652 VanDerWaalsContact O-CG2 3.32Å; W2649-I2652 WeakPolarHBondContact O-CG2 3.32Å; W2649-I2652 PolarHBondContact O-N 2.85Å; I2652-A2655 PolarHBondContact O-N 3Å; I2652-M2656 HydrophobicContact CG1-CG 4.12Å; I2652-M2656 VanDerWaalsContact O-CB 3.29Å; I2652-M2656 WeakPolarHBondContact O-CB 3.26Å; I2652-M2656 VanDerWaalsContact O-CG 3.28Å; I2652-M2656 WeakPolarHBondContact O-CG 3.41Å; I2652-M2656 PolarHBondContact O-N 3.19Å; I2652-L2797 HydrophobicContact CB-CD1 4.44Å; I2652-L2797 HydrophobicContact CD1-CD1 4.05Å; I2652-L2797 HydrophobicContact CD1-CG 4.27Å; I2652-L2797 HydrophobicContact CG1-CD1 3.52Å; I2652-L2797 VanDerWaalsContact CG1-CD1 3.43Å; I2652-L2797 HydrophobicContact CG1-CG 4.26Å; I2652-I2800 HydrophobicContact CD1-CB 4.17Å; I2652-I2800 HydrophobicContact CD1-CG2 3.84Å; I2652-L2801 HydrophobicContact CD1-CB 4.12Å; I2652-L2801 HydrophobicContact CD1-CD1 4.43Å; I2652-L2804 HydrophobicContact CD1-CD1 3.71Å; I2652-L2804 HydrophobicContact CG2-CD1 4.02Å |
| 2653 | T | 85.5 | Confident | 85.8 | Confident | 4.2 Ų | 4.2 | 33.5 Ų | 33.5 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 175.2 | -49.5 | 0 | 0 | 0 | 0 | 111 | W2649 Q2650 W2651 A2655 M2656 D2657 S2959 W2961 W3012 | W2649-T2653 HydrophobicContact CD2-CG2 3.78Å; W2649-T2653 VanDerWaalsContact CE2-CG2 3.45Å; W2649-T2653 HydrophobicContact CE3-CG2 4.31Å; W2649-T2653 HydrophobicContact CG-CG2 4.17Å; W2649-T2653 HydrophobicContact CH2-CG2 4.31Å; W2649-T2653 HydrophobicContact CZ2-CG2 3.79Å; W2649-T2653 VanDerWaalsContact O-CB 3.25Å; W2649-T2653 WeakPolarHBondContact O-CB 3.36Å; W2649-T2653 VanDerWaalsContact O-CG2 3.25Å; W2649-T2653 WeakPolarHBondContact O-CG2 3.02Å; W2649-T2653 PolarHBondContact O-N 3.24Å; W2649-T2653 PolarHBondContact O-OG1 3.16Å; Q2650-T2653 WeakPolarHBondContact O-CB 3.03Å; Q2650-T2653 PolarHBondContact O-N 3.12Å; Q2650-T2653 PolarHBondContact O-OG1 2.64Å; Q2650-T2653 VanDerWaalsContact O-OG1 3.13Å; W2651-T2653 VanDerWaalsContact C-N 3.33Å; W2651-T2653 PolarHBondContact O-N 3.15Å; T2653-A2655 VanDerWaalsContact C-N 3.29Å; T2653-A2655 PolarHBondContact O-N 3.32Å; T2653-M2656 PolarHBondContact O-N 3.27Å; T2653-M2656 VanDerWaalsContact O-N 3.13Å; T2653-D2657 WeakPolarHBondContact CG2-OD2 3.3Å; T2653-D2657 VanDerWaalsContact O-CB 3.28Å; T2653-D2657 WeakPolarHBondContact O-CB 3.31Å; T2653-D2657 VanDerWaalsContact O-CG 3.27Å; T2653-D2657 PolarHBondContact O-N 3.18Å; T2653-S2959 WeakPolarHBondContact CG2-OG 3.12Å; T2653-W2961 HydrophobicContact CG2-CE3 4Å; T2653-W2961 HydrophobicContact CG2-CZ3 3.76Å; T2653-W3012 HydrophobicContact CG2-CZ2 4.32Å |
| 2654 | M | 84 | Confident | 85.7 | Confident | 89.6 Ų | 89.6 | 36.3 Ų | 36.3 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 176.8 | -82.4 | 178.9 | 111.8 | 0 | 0 | 112.4 | Q2650 W2651 N2658 | Q2650-M2654 WeakPolarHBondContact O-CB 3.41Å; Q2650-M2654 WeakPolarHBondContact O-CG 3.43Å; Q2650-M2654 PolarHBondContact O-N 3.33Å; Q2650-M2654 VanDerWaalsContact O-N 3.12Å; W2651-M2654 PolarHBondContact O-N 3.2Å; M2654-N2658 VanDerWaalsContact O-CB 3.29Å; M2654-N2658 WeakPolarHBondContact O-CB 3.29Å; M2654-N2658 PolarHBondContact O-N 2.99Å; M2654-N2658 PolarHBondContact O-ND2 2.72Å |
| 2655 | A | 86.3 | Confident | 85.4 | Confident | 28.2 Ų | 28.2 | 35.5 Ų | 35.5 | 23% | 0.233 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W2651 I2652 T2653 N2658 L2659 L2797 | W2651-A2655 WeakPolarHBondContact O-CB 3.34Å; W2651-A2655 PolarHBondContact O-N 3.18Å; W2651-A2655 VanDerWaalsContact O-N 3.09Å; I2652-A2655 PolarHBondContact O-N 3Å; T2653-A2655 VanDerWaalsContact C-N 3.29Å; T2653-A2655 PolarHBondContact O-N 3.32Å; A2655-N2658 PolarHBondContact O-N 3.48Å; A2655-L2659 WeakPolarHBondContact O-CB 3.18Å; A2655-L2659 PolarHBondContact O-N 3.14Å; A2655-L2659 VanDerWaalsContact O-N 3.1Å; A2655-L2797 HydrophobicContact CB-CD1 4.01Å; A2655-L2797 HydrophobicContact CB-CD2 4.09Å |
| 2656 | M | 86.3 | Confident | 85.1 | Confident | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.6 | -41.3 | 179.5 | -74.1 | -60.7 | -56.1 | 0 | 0 | 112.7 | I2652 T2653 N2658 L2659 E2660 L2797 L2801 W3012 A3015 F3019 | I2652-M2656 HydrophobicContact CG1-CG 4.12Å; I2652-M2656 VanDerWaalsContact O-CB 3.29Å; I2652-M2656 WeakPolarHBondContact O-CB 3.26Å; I2652-M2656 VanDerWaalsContact O-CG 3.28Å; I2652-M2656 WeakPolarHBondContact O-CG 3.41Å; I2652-M2656 PolarHBondContact O-N 3.19Å; T2653-M2656 PolarHBondContact O-N 3.27Å; T2653-M2656 VanDerWaalsContact O-N 3.13Å; M2656-N2658 VanDerWaalsContact C-N 3.31Å; M2656-N2658 PolarHBondContact O-N 3.03Å; M2656-L2659 HydrophobicContact CE-CD2 4.43Å; M2656-L2659 PolarHBondContact O-N 2.98Å; M2656-L2659 HydrophobicContact SD-CD2 4.26Å; M2656-E2660 VanDerWaalsContact O-CB 3.25Å; M2656-E2660 WeakPolarHBondContact O-CB 3.34Å; M2656-E2660 PolarHBondContact O-N 3.19Å; M2656-L2797 HydrophobicContact CG-CD1 4.12Å; M2656-L2797 HydrophobicContact CG-CD2 4.4Å; M2656-L2797 HydrophobicContact CG-CG 4.43Å; M2656-L2797 HydrophobicContact SD-CD1 3.98Å; M2656-L2797 HydrophobicContact SD-CD2 3.67Å; M2656-L2797 HydrophobicContact SD-CG 3.65Å; M2656-L2801 HydrophobicContact CE-CD2 3.5Å; M2656-L2801 VanDerWaalsContact CE-CD2 3.49Å; M2656-L2801 HydrophobicContact SD-CD2 3.86Å; M2656-W3012 HydrophobicContact CB-CD2 3.71Å; M2656-W3012 VanDerWaalsContact CB-CE2 3.41Å; M2656-W3012 HydrophobicContact CB-CE3 4.34Å; M2656-W3012 HydrophobicContact CB-CG 3.98Å; M2656-W3012 HydrophobicContact CB-CH2 4.44Å; M2656-W3012 HydrophobicContact CB-CZ2 3.84Å; M2656-W3012 HydrophobicContact CE-CB 3.64Å; M2656-W3012 HydrophobicContact CE-CD2 4.04Å; M2656-W3012 HydrophobicContact CE-CE3 4.31Å; M2656-W3012 HydrophobicContact CE-CG 3.76Å; M2656-W3012 HydrophobicContact CG-CD2 4.16Å; M2656-W3012 HydrophobicContact CG-CE3 4.32Å; M2656-W3012 HydrophobicContact CG-CZ2 4.45Å; M2656-A3015 HydrophobicContact CE-CB 3.47Å; M2656-A3015 VanDerWaalsContact CE-CB 3.47Å; M2656-F3019 HydrophobicContact CE-CE2 4.07Å; M2656-F3019 HydrophobicContact SD-CE2 3.83Å; M2656-F3019 HydrophobicContact SD-CZ 4.17Å |
| 2657 | D | 85.3 | Confident | 84.7 | Confident | 24.4 Ų | 24.4 | 36.5 Ų | 36.5 | 13% | 0.13 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 176.6 | -73 | -20 | 0 | 0 | 0 | 111.5 | T2653 E2660 A2661 I2952 S2959 R3011 W3012 | T2653-D2657 WeakPolarHBondContact CG2-OD2 3.3Å; T2653-D2657 VanDerWaalsContact O-CB 3.28Å; T2653-D2657 WeakPolarHBondContact O-CB 3.31Å; T2653-D2657 VanDerWaalsContact O-CG 3.27Å; T2653-D2657 PolarHBondContact O-N 3.18Å; D2657-E2660 PolarHBondContact O-N 3.16Å; D2657-A2661 VanDerWaalsContact O-CB 3.28Å; D2657-A2661 WeakPolarHBondContact O-CB 3.39Å; D2657-A2661 PolarHBondContact O-N 2.93Å; D2657-I2952 HydrophobicContact CB-CG2 4.48Å; D2657-I2952 VanDerWaalsContact O-CG2 3.31Å; D2657-I2952 WeakPolarHBondContact O-CG2 3.22Å; D2657-S2959 VanDerWaalsContact OD2-CB 3.26Å; D2657-S2959 WeakPolarHBondContact OD2-CB 3.2Å; D2657-S2959 PolarHBondContact OD2-OG 3.32Å; D2657-R3011 VanDerWaalsContact CG-NH2 3.33Å; D2657-R3011 IonicContact OD1-CZ 3.31Å; D2657-R3011 IonicContact OD1-NE 3.06Å; D2657-R3011 PolarHBondContact OD1-NE 3.38Å; D2657-R3011 IonicContact OD1-NH2 3.73Å; D2657-R3011 PolarHBondContact OD1-NH2 3.12Å; D2657-R3011 IonicContact OD2-CZ 3.2Å; D2657-R3011 IonicContact OD2-NE 3.32Å; D2657-R3011 IonicContact OD2-NH2 2.84Å; D2657-R3011 PolarHBondContact OD2-NH2 3.17Å; D2657-W3012 PolarHBondContact OD1-NE1 3.22Å |
| 2658 | N | 83.5 | Confident | 84.2 | Confident | 55 Ų | 55 | 34.3 Ų | 34.3 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 175.2 | -153 | -22.3 | 0 | 0 | 0 | 111.7 | M2654 A2655 M2656 E2660 A2661 Q2662 M2954 N2955 A2956 | M2654-N2658 VanDerWaalsContact O-CB 3.29Å; M2654-N2658 WeakPolarHBondContact O-CB 3.29Å; M2654-N2658 PolarHBondContact O-N 2.99Å; M2654-N2658 PolarHBondContact O-ND2 2.72Å; A2655-N2658 PolarHBondContact O-N 3.48Å; M2656-N2658 VanDerWaalsContact C-N 3.31Å; M2656-N2658 PolarHBondContact O-N 3.03Å; N2658-E2660 VanDerWaalsContact C-N 3.32Å; N2658-E2660 PolarHBondContact O-N 3.05Å; N2658-A2661 PolarHBondContact O-N 3.08Å; N2658-Q2662 VanDerWaalsContact O-CG 3.31Å; N2658-Q2662 WeakPolarHBondContact O-CG 3.32Å; N2658-Q2662 PolarHBondContact O-N 3.12Å; N2658-Q2662 VanDerWaalsContact O-N 3.13Å; N2658-Q2662 PolarHBondContact OD1-NE2 3.04Å; N2658-M2954 PolarHBondContact OD1-O 3.44Å; N2658-N2955 VanDerWaalsContact OD1-CA 3.3Å; N2658-N2955 WeakPolarHBondContact OD1-CA 3.43Å; N2658-N2955 PolarHBondContact OD1-N 3.18Å; N2658-A2956 HydrophobicContact CB-CB 4.02Å; N2658-A2956 VanDerWaalsContact CB-CB 3.48Å |
| 2659 | L | 85.9 | Confident | 83.7 | Confident | 9.4 Ų | 9.4 | 36 Ų | 36 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 176.5 | 178.5 | 60.7 | 0 | 0 | 0 | 111.9 | A2655 M2656 A2661 Q2662 L2663 I2789 N2794 L2797 A3015 F3018 F3019 | A2655-L2659 WeakPolarHBondContact O-CB 3.18Å; A2655-L2659 PolarHBondContact O-N 3.14Å; A2655-L2659 VanDerWaalsContact O-N 3.1Å; M2656-L2659 HydrophobicContact CE-CD2 4.43Å; M2656-L2659 PolarHBondContact O-N 2.98Å; M2656-L2659 HydrophobicContact SD-CD2 4.26Å; L2659-A2661 VanDerWaalsContact C-N 3.33Å; L2659-A2661 PolarHBondContact O-N 2.92Å; L2659-Q2662 PolarHBondContact O-N 3.12Å; L2659-L2663 HydrophobicContact CD1-CD1 4.05Å; L2659-L2663 HydrophobicContact CD1-CG 4.26Å; L2659-L2663 HydrophobicContact CG-CD1 3.95Å; L2659-L2663 WeakPolarHBondContact O-CB 3.38Å; L2659-L2663 WeakPolarHBondContact O-CD1 3.48Å; L2659-L2663 VanDerWaalsContact O-CG 3.27Å; L2659-L2663 WeakPolarHBondContact O-CG 3.39Å; L2659-L2663 PolarHBondContact O-N 3.22Å; L2659-I2789 HydrophobicContact CD1-CG2 3.95Å; L2659-N2794 HydrophobicContact CD2-CB 4.47Å; L2659-L2797 HydrophobicContact CD2-CD2 4.16Å; L2659-A3015 HydrophobicContact CD2-CB 4.03Å; L2659-A3015 HydrophobicContact CG-CB 4.15Å; L2659-F3018 HydrophobicContact CD1-CE1 4.45Å; L2659-F3019 HydrophobicContact CD2-CE1 3.68Å; L2659-F3019 HydrophobicContact CD2-CE2 4.45Å; L2659-F3019 HydrophobicContact CD2-CZ 3.47Å; L2659-F3019 VanDerWaalsContact CD2-CZ 3.46Å |
| 2660 | E | 85.5 | Confident | 83.3 | Confident | 13.8 Ų | 13.8 | 39.1 Ų | 39.1 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 176.3 | -171.9 | 83.3 | -158.5 | 0 | 0 | 111.6 | M2656 D2657 N2658 L2663 R2664 W3012 S3014 A3015 | M2656-E2660 VanDerWaalsContact O-CB 3.25Å; M2656-E2660 WeakPolarHBondContact O-CB 3.34Å; M2656-E2660 PolarHBondContact O-N 3.19Å; D2657-E2660 PolarHBondContact O-N 3.16Å; N2658-E2660 VanDerWaalsContact C-N 3.32Å; N2658-E2660 PolarHBondContact O-N 3.05Å; E2660-L2663 PolarHBondContact O-N 3.01Å; E2660-R2664 VanDerWaalsContact CD-NH1 3.26Å; E2660-R2664 VanDerWaalsContact CD-NH2 3.34Å; E2660-R2664 HydrophobicContact CG-CG 4.46Å; E2660-R2664 VanDerWaalsContact CG-CZ 3.47Å; E2660-R2664 WeakPolarHBondContact O-CB 3.29Å; E2660-R2664 VanDerWaalsContact O-CG 3.32Å; E2660-R2664 WeakPolarHBondContact O-CG 3.44Å; E2660-R2664 PolarHBondContact O-N 3.07Å; E2660-R2664 IonicContact OE1-CZ 3.07Å; E2660-R2664 IonicContact OE1-NE 3.31Å; E2660-R2664 PolarHBondContact OE1-NE 3.14Å; E2660-R2664 VanDerWaalsContact OE1-NE 3.14Å; E2660-R2664 IonicContact OE1-NH1 2.88Å; E2660-R2664 PolarHBondContact OE1-NH1 3.26Å; E2660-R2664 IonicContact OE1-NH2 2.81Å; E2660-R2664 PolarHBondContact OE1-NH2 3.29Å; E2660-R2664 IonicContact OE2-CZ 3.19Å; E2660-R2664 IonicContact OE2-NH1 2.7Å; E2660-R2664 PolarHBondContact OE2-NH1 3.41Å; E2660-R2664 IonicContact OE2-NH2 2.87Å; E2660-R2664 PolarHBondContact OE2-NH2 3.49Å; E2660-W3012 WeakPolarHBondContact OE2-CA 3.22Å; E2660-S3014 WeakPolarHBondContact OE1-CB 3.29Å; E2660-S3014 PolarHBondContact OE1-N 2.97Å; E2660-S3014 PolarHBondContact OE1-OG 3.09Å; E2660-S3014 WeakPolarHBondContact OE2-CA 3.19Å; E2660-S3014 WeakPolarHBondContact OE2-CB 3.49Å; E2660-S3014 PolarHBondContact OE2-N 2.97Å; E2660-A3015 WeakPolarHBondContact OE2-CB 3.34Å; E2660-A3015 PolarHBondContact OE2-N 3.01Å |
| 2661 | A | 82.3 | Confident | 82.7 | Confident | 18.2 Ų | 18.2 | 37.8 Ų | 37.8 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D2657 N2658 L2659 L2663 R2664 F2665 I2952 M2954 | D2657-A2661 VanDerWaalsContact O-CB 3.28Å; D2657-A2661 WeakPolarHBondContact O-CB 3.39Å; D2657-A2661 PolarHBondContact O-N 2.93Å; N2658-A2661 PolarHBondContact O-N 3.08Å; L2659-A2661 VanDerWaalsContact C-N 3.33Å; L2659-A2661 PolarHBondContact O-N 2.92Å; A2661-L2663 VanDerWaalsContact C-N 3.34Å; A2661-L2663 PolarHBondContact O-N 2.88Å; A2661-R2664 PolarHBondContact O-N 2.98Å; A2661-F2665 VanDerWaalsContact O-CB 3.26Å; A2661-F2665 WeakPolarHBondContact O-CB 3.42Å; A2661-F2665 PolarHBondContact O-N 3.04Å; A2661-I2952 HydrophobicContact CB-CG2 3.61Å; A2661-M2954 HydrophobicContact CB-CB 4.43Å; A2661-M2954 HydrophobicContact CB-CG 3.73Å; A2661-M2954 VanDerWaalsContact CB-CG 3.46Å |
| 2662 | Q | 84.4 | Confident | 82 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.7 | -68 | 173.2 | 26.1 | 0 | 0 | 112 | N2658 L2659 F2665 S2666 P2787 I2789 M2954 | N2658-Q2662 VanDerWaalsContact O-CG 3.31Å; N2658-Q2662 WeakPolarHBondContact O-CG 3.32Å; N2658-Q2662 PolarHBondContact O-N 3.12Å; N2658-Q2662 VanDerWaalsContact O-N 3.13Å; N2658-Q2662 PolarHBondContact OD1-NE2 3.04Å; L2659-Q2662 PolarHBondContact O-N 3.12Å; Q2662-F2665 PolarHBondContact O-N 3.37Å; Q2662-S2666 VanDerWaalsContact O-CB 3.3Å; Q2662-S2666 WeakPolarHBondContact O-CB 3.36Å; Q2662-S2666 PolarHBondContact O-N 2.97Å; Q2662-S2666 PolarHBondContact O-OG 3.02Å; Q2662-P2787 HydrophobicContact CB-CB 4.31Å; Q2662-P2787 HydrophobicContact CB-CG 4.15Å; Q2662-P2787 HydrophobicContact CG-CB 4.16Å; Q2662-P2787 HydrophobicContact CG-CG 4.26Å; Q2662-I2789 HydrophobicContact CB-CD1 3.77Å; Q2662-I2789 HydrophobicContact CB-CG1 4.26Å; Q2662-M2954 HydrophobicContact CB-SD 4.37Å; Q2662-M2954 HydrophobicContact CG-CE 4.09Å; Q2662-M2954 HydrophobicContact CG-CG 4.14Å; Q2662-M2954 HydrophobicContact CG-SD 4.05Å; Q2662-M2954 WeakPolarHBondContact CG-SD 3.24Å |
| 2663 | L | 84.7 | Confident | 81.1 | Confident | 24.8 Ų | 24.8 | 45.9 Ų | 45.9 | 13% | 0.13 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 177.3 | -73.3 | 168.5 | 0 | 0 | 0 | 112.2 | L2659 E2660 A2661 S2666 A2667 F2767 Y2770 I2774 I2789 A3015 F3018 | L2659-L2663 HydrophobicContact CD1-CD1 4.05Å; L2659-L2663 HydrophobicContact CD1-CG 4.26Å; L2659-L2663 HydrophobicContact CG-CD1 3.95Å; L2659-L2663 WeakPolarHBondContact O-CB 3.38Å; L2659-L2663 WeakPolarHBondContact O-CD1 3.48Å; L2659-L2663 VanDerWaalsContact O-CG 3.27Å; L2659-L2663 WeakPolarHBondContact O-CG 3.39Å; L2659-L2663 PolarHBondContact O-N 3.22Å; E2660-L2663 PolarHBondContact O-N 3.01Å; A2661-L2663 VanDerWaalsContact C-N 3.34Å; A2661-L2663 PolarHBondContact O-N 2.88Å; L2663-S2666 PolarHBondContact O-N 2.88Å; L2663-A2667 WeakPolarHBondContact O-CB 3.33Å; L2663-A2667 PolarHBondContact O-N 3.3Å; L2663-F2767 HydrophobicContact CB-CE2 4.2Å; L2663-Y2770 HydrophobicContact CD2-CE1 4.14Å; L2663-I2774 HydrophobicContact CD2-CD1 3.83Å; L2663-I2789 HydrophobicContact CB-CD1 4.47Å; L2663-I2789 HydrophobicContact CD2-CD1 3.72Å; L2663-I2789 HydrophobicContact CG-CD1 3.99Å; L2663-A3015 VanDerWaalsContact CD1-CA 3.48Å; L2663-A3015 HydrophobicContact CD1-CB 4Å; L2663-F3018 HydrophobicContact CD1-CB 3.86Å; L2663-F3018 HydrophobicContact CD1-CD1 4.25Å; L2663-F3018 HydrophobicContact CD1-CG 4.05Å; L2663-F3018 HydrophobicContact CD2-CB 4.47Å; L2663-F3018 HydrophobicContact CD2-CD2 4Å; L2663-F3018 HydrophobicContact CD2-CE2 4.37Å; L2663-F3018 HydrophobicContact CD2-CG 4.22Å |
| 2664 | R | 80.7 | Confident | 80.1 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 174.8 | -75.7 | -178.6 | 178.6 | 137.5 | 6.4 | 112 | E2660 A2661 S2666 A2667 S2668 I2952 R3011 C3013 S3014 | E2660-R2664 VanDerWaalsContact CD-NH1 3.26Å; E2660-R2664 VanDerWaalsContact CD-NH2 3.34Å; E2660-R2664 HydrophobicContact CG-CG 4.46Å; E2660-R2664 VanDerWaalsContact CG-CZ 3.47Å; E2660-R2664 WeakPolarHBondContact O-CB 3.29Å; E2660-R2664 VanDerWaalsContact O-CG 3.32Å; E2660-R2664 WeakPolarHBondContact O-CG 3.44Å; E2660-R2664 PolarHBondContact O-N 3.07Å; E2660-R2664 IonicContact OE1-CZ 3.07Å; E2660-R2664 IonicContact OE1-NE 3.31Å; E2660-R2664 PolarHBondContact OE1-NE 3.14Å; E2660-R2664 VanDerWaalsContact OE1-NE 3.14Å; E2660-R2664 IonicContact OE1-NH1 2.88Å; E2660-R2664 PolarHBondContact OE1-NH1 3.26Å; E2660-R2664 IonicContact OE1-NH2 2.81Å; E2660-R2664 PolarHBondContact OE1-NH2 3.29Å; E2660-R2664 IonicContact OE2-CZ 3.19Å; E2660-R2664 IonicContact OE2-NH1 2.7Å; E2660-R2664 PolarHBondContact OE2-NH1 3.41Å; E2660-R2664 IonicContact OE2-NH2 2.87Å; E2660-R2664 PolarHBondContact OE2-NH2 3.49Å; A2661-R2664 PolarHBondContact O-N 2.98Å; R2664-S2666 VanDerWaalsContact C-N 3.33Å; R2664-S2666 PolarHBondContact O-N 3.37Å; R2664-A2667 PolarHBondContact O-N 3.13Å; R2664-S2668 WeakPolarHBondContact O-CB 3.36Å; R2664-S2668 PolarHBondContact O-N 3.18Å; R2664-S2668 PolarHBondContact O-OG 2.85Å; R2664-S2668 VanDerWaalsContact O-OG 3.06Å; R2664-I2952 VanDerWaalsContact NH1-CD1 3.3Å; R2664-R3011 PolarHBondContact NH1-O 2.8Å; R2664-R3011 PolarHBondContact NH2-O 3.02Å; R2664-C3013 PolarHBondContact NH2-SG 3.24Å; R2664-S3014 WeakPolarHBondContact CG-OG 3.3Å |
| 2665 | F | 81.9 | Confident | 78.6 | Confident | 37.6 Ų | 37.6 | 50.7 Ų | 50.7 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 173.4 | -178.4 | -88.2 | 0 | 0 | 0 | 111.1 | F2230 L2233 A2661 Q2662 A2667 S2668 W2669 H2782 G2783 S2785 P2787 I2952 M2954 | F2230-F2665 HydrophobicContact CD1-CD2 4.35Å; F2230-F2665 HydrophobicContact CD1-CE2 4.44Å; F2230-F2665 HydrophobicContact CD2-CE2 4.35Å; F2230-F2665 AromaticContact CE1-CD2 3.41Å; F2230-F2665 HydrophobicContact CE1-CD2 3.41Å; F2230-F2665 VanDerWaalsContact CE1-CD2 3.41Å; F2230-F2665 AromaticContact CE1-CE2 3.69Å; F2230-F2665 HydrophobicContact CE1-CE2 3.69Å; F2230-F2665 HydrophobicContact CE1-CG 4.31Å; F2230-F2665 HydrophobicContact CE2-CD2 4.14Å; F2230-F2665 AromaticContact CE2-CE2 3.56Å; F2230-F2665 HydrophobicContact CE2-CE2 3.56Å; F2230-F2665 HydrophobicContact CE2-CZ 4.09Å; F2230-F2665 AromaticContact CZ-CD2 3.28Å; F2230-F2665 HydrophobicContact CZ-CD2 3.28Å; F2230-F2665 AromaticContact CZ-CE2 3.17Å; F2230-F2665 HydrophobicContact CZ-CE2 3.17Å; F2230-F2665 HydrophobicContact CZ-CG 4.07Å; F2230-F2665 AromaticContact CZ-CZ 3.89Å; F2230-F2665 HydrophobicContact CZ-CZ 3.89Å; L2233-F2665 HydrophobicContact CD1-CE2 4.42Å; A2661-F2665 VanDerWaalsContact O-CB 3.26Å; A2661-F2665 WeakPolarHBondContact O-CB 3.42Å; A2661-F2665 PolarHBondContact O-N 3.04Å; Q2662-F2665 PolarHBondContact O-N 3.37Å; F2665-A2667 PolarHBondContact O-N 2.83Å; F2665-S2668 WeakPolarHBondContact O-CB 3.35Å; F2665-S2668 PolarHBondContact O-N 3.12Å; F2665-S2668 PolarHBondContact O-OG 3.27Å; F2665-W2669 HydrophobicContact CE1-CB 4.46Å; F2665-W2669 HydrophobicContact CE1-CD2 4.5Å; F2665-W2669 AromaticContact CE1-CE3 3.87Å; F2665-W2669 HydrophobicContact CE1-CE3 3.99Å; F2665-W2669 AromaticContact CZ-CE3 3.8Å; F2665-W2669 HydrophobicContact CZ-CE3 3.8Å; F2665-W2669 HydrophobicContact CZ-CZ3 4.25Å; F2665-W2669 VanDerWaalsContact O-CB 3.25Å; F2665-W2669 WeakPolarHBondContact O-CB 3.31Å; F2665-W2669 PolarHBondContact O-N 3.19Å; F2665-H2782 HydrophobicContact CE1-CB 4.26Å; F2665-H2782 HydrophobicContact CE2-CB 4.35Å; F2665-H2782 HydrophobicContact CZ-CB 4.03Å; F2665-H2782 VanDerWaalsContact CZ-O 3.28Å; F2665-H2782 WeakPolarHBondContact CZ-O 3.42Å; F2665-G2783 WeakPolarHBondContact CZ-O 3.44Å; F2665-S2785 WeakPolarHBondContact CE1-O 3.48Å; F2665-P2787 VanDerWaalsContact CD1-CD 3.42Å; F2665-P2787 HydrophobicContact CD1-CG 4.17Å; F2665-I2952 HydrophobicContact CB-CG2 4.19Å; F2665-I2952 HydrophobicContact CD2-CB 4.16Å; F2665-I2952 HydrophobicContact CD2-CG2 3.97Å; F2665-M2954 HydrophobicContact CB-CE 3.94Å; F2665-M2954 HydrophobicContact CB-CG 4.09Å; F2665-M2954 HydrophobicContact CB-SD 3.57Å; F2665-M2954 VanDerWaalsContact CB-SD 3.55Å; F2665-M2954 HydrophobicContact CD1-CE 3.94Å; F2665-M2954 HydrophobicContact CD1-CG 4.31Å; F2665-M2954 HydrophobicContact CD1-SD 4.33Å; F2665-M2954 HydrophobicContact CD2-CE 3.91Å; F2665-M2954 HydrophobicContact CD2-CG 3.51Å; F2665-M2954 VanDerWaalsContact CD2-CG 3.46Å; F2665-M2954 HydrophobicContact CD2-SD 4.17Å; F2665-M2954 HydrophobicContact CE1-CE 4.29Å; F2665-M2954 HydrophobicContact CE2-CE 3.97Å; F2665-M2954 HydrophobicContact CE2-CG 4.06Å; F2665-M2954 HydrophobicContact CG-CE 3.75Å; F2665-M2954 HydrophobicContact CG-CG 3.74Å; F2665-M2954 HydrophobicContact CG-SD 3.76Å; F2665-M2954 HydrophobicContact CZ-CE 4.3Å |
| 2666 | S | 81.2 | Confident | 76.8 | Confident | 19.2 Ų | 19.2 | 57.7 Ų | 57.7 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.1 | -135.1 | 0 | 0 | 0 | 0 | 112.6 | Q2662 L2663 R2664 S2668 W2669 N2670 Y2770 V2786 P2787 | Q2662-S2666 VanDerWaalsContact O-CB 3.3Å; Q2662-S2666 WeakPolarHBondContact O-CB 3.36Å; Q2662-S2666 PolarHBondContact O-N 2.97Å; Q2662-S2666 PolarHBondContact O-OG 3.02Å; L2663-S2666 PolarHBondContact O-N 2.88Å; R2664-S2666 VanDerWaalsContact C-N 3.33Å; R2664-S2666 PolarHBondContact O-N 3.37Å; S2666-S2668 VanDerWaalsContact C-N 3.33Å; S2666-S2668 PolarHBondContact O-N 2.96Å; S2666-W2669 PolarHBondContact O-N 3.16Å; S2666-N2670 VanDerWaalsContact O-CG 3.23Å; S2666-N2670 PolarHBondContact O-N 3.14Å; S2666-N2670 VanDerWaalsContact O-N 3.11Å; S2666-N2670 PolarHBondContact O-ND2 2.9Å; S2666-N2670 VanDerWaalsContact O-ND2 3.15Å; S2666-Y2770 VanDerWaalsContact CB-CE1 3.43Å; S2666-Y2770 WeakPolarHBondContact CB-OH 3.27Å; S2666-V2786 WeakPolarHBondContact OG-CG1 3.4Å; S2666-P2787 WeakPolarHBondContact OG-CB 3.41Å |
| 2667 | A | 77.3 | Confident | 74.6 | Confident | 34.4 Ų | 34.4 | 63 Ų | 63 | 28% | 0.284 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2663 R2664 F2665 W2669 N2670 A2671 F2767 Y2770 | L2663-A2667 WeakPolarHBondContact O-CB 3.33Å; L2663-A2667 PolarHBondContact O-N 3.3Å; R2664-A2667 PolarHBondContact O-N 3.13Å; F2665-A2667 PolarHBondContact O-N 2.83Å; A2667-W2669 VanDerWaalsContact C-N 3.35Å; A2667-W2669 PolarHBondContact O-N 3.37Å; A2667-N2670 PolarHBondContact O-N 3.29Å; A2667-A2671 PolarHBondContact O-N 3.01Å; A2667-A2671 VanDerWaalsContact O-N 3.14Å; A2667-F2767 HydrophobicContact CB-CD2 4.03Å; A2667-Y2770 HydrophobicContact CB-CD1 3.86Å; A2667-Y2770 HydrophobicContact CB-CG 4.49Å |
| 2668 | S | 76.5 | Confident | 72.5 | Confident | 22.4 Ų | 22.4 | 65.6 Ų | 65.6 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.9 | -43.4 | 0 | 0 | 0 | 0 | 111.8 | R2664 F2665 S2666 N2670 A2671 Y2672 F2932 I2952 | R2664-S2668 WeakPolarHBondContact O-CB 3.36Å; R2664-S2668 PolarHBondContact O-N 3.18Å; R2664-S2668 PolarHBondContact O-OG 2.85Å; R2664-S2668 VanDerWaalsContact O-OG 3.06Å; F2665-S2668 WeakPolarHBondContact O-CB 3.35Å; F2665-S2668 PolarHBondContact O-N 3.12Å; F2665-S2668 PolarHBondContact O-OG 3.27Å; S2666-S2668 VanDerWaalsContact C-N 3.33Å; S2666-S2668 PolarHBondContact O-N 2.96Å; S2668-N2670 VanDerWaalsContact C-N 3.33Å; S2668-N2670 PolarHBondContact O-N 3.1Å; S2668-A2671 WeakPolarHBondContact O-CA 3.29Å; S2668-A2671 WeakPolarHBondContact O-CB 3.31Å; S2668-A2671 PolarHBondContact O-N 3.1Å; S2668-A2671 VanDerWaalsContact O-N 3.09Å; S2668-Y2672 VanDerWaalsContact O-CD2 3.26Å; S2668-Y2672 WeakPolarHBondContact O-CD2 3.4Å; S2668-Y2672 PolarHBondContact O-N 3.12Å; S2668-Y2672 VanDerWaalsContact O-N 3.09Å; S2668-F2932 VanDerWaalsContact CA-CE1 3.42Å; S2668-F2932 WeakPolarHBondContact OG-CE1 3.31Å; S2668-I2952 VanDerWaalsContact CB-CD1 3.44Å; S2668-I2952 VanDerWaalsContact OG-CD1 3.23Å; S2668-I2952 WeakPolarHBondContact OG-CD1 3.32Å |
| 2669 | W | 77.8 | Confident | 70.3 | Confident | 63.8 Ų | 63.8 | 67.4 Ų | 67.4 | 24% | 0.242 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 177.1 | -173.9 | -85.8 | 0 | 0 | 0 | 111.8 | F2665 S2666 A2667 A2671 Y2672 F2673 G2783 D2784 V2786 P2787 I2950 | F2665-W2669 HydrophobicContact CE1-CB 4.46Å; F2665-W2669 HydrophobicContact CE1-CD2 4.5Å; F2665-W2669 AromaticContact CE1-CE3 3.87Å; F2665-W2669 HydrophobicContact CE1-CE3 3.99Å; F2665-W2669 AromaticContact CZ-CE3 3.8Å; F2665-W2669 HydrophobicContact CZ-CE3 3.8Å; F2665-W2669 HydrophobicContact CZ-CZ3 4.25Å; F2665-W2669 VanDerWaalsContact O-CB 3.25Å; F2665-W2669 WeakPolarHBondContact O-CB 3.31Å; F2665-W2669 PolarHBondContact O-N 3.19Å; S2666-W2669 PolarHBondContact O-N 3.16Å; A2667-W2669 VanDerWaalsContact C-N 3.35Å; A2667-W2669 PolarHBondContact O-N 3.37Å; W2669-A2671 VanDerWaalsContact C-N 3.32Å; W2669-A2671 PolarHBondContact O-N 3.22Å; W2669-Y2672 PolarHBondContact O-N 3.25Å; W2669-F2673 AromaticContact CD1-CD2 3.98Å; W2669-F2673 AromaticContact CD2-CD2 3.81Å; W2669-F2673 HydrophobicContact CD2-CD2 3.92Å; W2669-F2673 HydrophobicContact CD2-CE2 4.12Å; W2669-F2673 AromaticContact CE2-CD2 3.65Å; W2669-F2673 VanDerWaalsContact CE2-CD2 3.48Å; W2669-F2673 AromaticContact CE2-CE2 3.9Å; W2669-F2673 HydrophobicContact CE3-CD2 4.25Å; W2669-F2673 HydrophobicContact CE3-CE2 4.15Å; W2669-F2673 HydrophobicContact CG-CD2 4.24Å; W2669-F2673 HydrophobicContact CH2-CD2 4.14Å; W2669-F2673 AromaticContact CH2-CE2 3.66Å; W2669-F2673 HydrophobicContact CH2-CE2 3.75Å; W2669-F2673 HydrophobicContact CH2-CZ 4.4Å; W2669-F2673 AromaticContact CZ2-CD2 3.72Å; W2669-F2673 HydrophobicContact CZ2-CD2 3.95Å; W2669-F2673 AromaticContact CZ2-CE2 3.73Å; W2669-F2673 HydrophobicContact CZ2-CE2 3.73Å; W2669-F2673 HydrophobicContact CZ2-CG 4.49Å; W2669-F2673 HydrophobicContact CZ2-CZ 4.43Å; W2669-F2673 HydrophobicContact CZ3-CD2 4.4Å; W2669-F2673 AromaticContact CZ3-CE2 3.88Å; W2669-F2673 HydrophobicContact CZ3-CE2 3.98Å; W2669-F2673 AromaticContact NE1-CD2 3.83Å; W2669-F2673 WeakPolarHBondContact O-CB 3.36Å; W2669-F2673 WeakPolarHBondContact O-CD2 3.29Å; W2669-F2673 PolarHBondContact O-N 3.06Å; W2669-G2783 WeakPolarHBondContact CH2-O 3.36Å; W2669-G2783 WeakPolarHBondContact CZ3-O 3.4Å; W2669-D2784 WeakPolarHBondContact CH2-O 3.5Å; W2669-D2784 VanDerWaalsContact NE1-C 3.35Å; W2669-D2784 PolarHBondContact NE1-O 3.14Å; W2669-V2786 HydrophobicContact CB-CG2 4.18Å; W2669-V2786 HydrophobicContact CD2-CG2 3.93Å; W2669-V2786 HydrophobicContact CE3-CG2 3.39Å; W2669-V2786 HydrophobicContact CG-CG2 3.62Å; W2669-V2786 HydrophobicContact CH2-CG2 4.4Å; W2669-V2786 HydrophobicContact CZ2-CG2 4.39Å; W2669-V2786 HydrophobicContact CZ3-CG2 3.93Å; W2669-P2787 HydrophobicContact CB-CG 4.33Å; W2669-P2787 HydrophobicContact CG-CG 3.99Å; W2669-I2950 HydrophobicContact CZ3-CD1 4.47Å |
| 2670 | N | 78 | Confident | 67.9 | Low | 80 Ų | 80 | 75.5 Ų | 75.5 | 43% | 0.428 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67 | -24.5 | 177.7 | -72.2 | -58.1 | 0 | 0 | 0 | 113.3 | S2666 A2667 S2668 F2673 Y2770 | S2666-N2670 VanDerWaalsContact O-CG 3.23Å; S2666-N2670 PolarHBondContact O-N 3.14Å; S2666-N2670 VanDerWaalsContact O-N 3.11Å; S2666-N2670 PolarHBondContact O-ND2 2.9Å; S2666-N2670 VanDerWaalsContact O-ND2 3.15Å; A2667-N2670 PolarHBondContact O-N 3.29Å; S2668-N2670 VanDerWaalsContact C-N 3.33Å; S2668-N2670 PolarHBondContact O-N 3.1Å; N2670-F2673 CarbonylContact O-C 3.55Å; N2670-F2673 PolarHBondContact O-N 2.89Å; N2670-Y2770 WeakPolarHBondContact ND2-CD2 3.48Å |
| 2671 | A | 73.2 | Confident | 65.4 | Low | 50.8 Ų | 50.8 | 80 Ų | 80 | 42% | 0.42 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -79.1 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2667 S2668 W2669 F2932 | A2667-A2671 PolarHBondContact O-N 3.01Å; A2667-A2671 VanDerWaalsContact O-N 3.14Å; S2668-A2671 WeakPolarHBondContact O-CA 3.29Å; S2668-A2671 WeakPolarHBondContact O-CB 3.31Å; S2668-A2671 PolarHBondContact O-N 3.1Å; S2668-A2671 VanDerWaalsContact O-N 3.09Å; W2669-A2671 VanDerWaalsContact C-N 3.32Å; W2669-A2671 PolarHBondContact O-N 3.22Å; A2671-F2932 HydrophobicContact CB-CE1 4.48Å; A2671-F2932 HydrophobicContact CB-CE2 4Å; A2671-F2932 HydrophobicContact CB-CZ 3.67Å; A2671-F2932 VanDerWaalsContact CB-CZ 3.45Å |
| 2672 | Y | 73.1 | Confident | 63.2 | Low | 136.4 Ų | 136.4 | 88.1 Ų | 88.1 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76 | -29.6 | 175.2 | -76 | -69.4 | 0 | 0 | 0 | 113.4 | L2233 S2236 D2237 S2668 W2669 P2674 F2932 I2950 | L2233-Y2672 HydrophobicContact CD2-CD2 3.65Å; L2233-Y2672 HydrophobicContact CD2-CE2 3.71Å; L2233-Y2672 HydrophobicContact CD2-CG 4.18Å; L2233-Y2672 PolarHBondContact O-OH 3.47Å; S2236-Y2672 PolarHBondContact OG-OH 2.86Å; D2237-Y2672 PolarHBondContact OD1-OH 3.32Å; D2237-Y2672 PolarHBondContact OD2-OH 3.06Å; S2668-Y2672 VanDerWaalsContact O-CD2 3.26Å; S2668-Y2672 WeakPolarHBondContact O-CD2 3.4Å; S2668-Y2672 PolarHBondContact O-N 3.12Å; S2668-Y2672 VanDerWaalsContact O-N 3.09Å; W2669-Y2672 PolarHBondContact O-N 3.25Å; Y2672-P2674 VanDerWaalsContact O-CD 3.25Å; Y2672-P2674 WeakPolarHBondContact O-CD 3.26Å; Y2672-F2932 HydrophobicContact CE2-CE1 4.37Å; Y2672-F2932 HydrophobicContact CE2-CZ 4.29Å; Y2672-I2950 WeakPolarHBondContact OH-CD1 3.4Å |
| 2673 | F | 70.2 | Confident | 60.6 | Low | 117.2 Ų | 117.2 | 91 Ų | 91 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -116.1 | 63.9 | 177.8 | -61.9 | -73 | 0 | 0 | 0 | 112 | W2669 N2670 N2675 | W2669-F2673 AromaticContact CD1-CD2 3.98Å; W2669-F2673 AromaticContact CD2-CD2 3.81Å; W2669-F2673 HydrophobicContact CD2-CD2 3.92Å; W2669-F2673 HydrophobicContact CD2-CE2 4.12Å; W2669-F2673 AromaticContact CE2-CD2 3.65Å; W2669-F2673 VanDerWaalsContact CE2-CD2 3.48Å; W2669-F2673 AromaticContact CE2-CE2 3.9Å; W2669-F2673 HydrophobicContact CE3-CD2 4.25Å; W2669-F2673 HydrophobicContact CE3-CE2 4.15Å; W2669-F2673 HydrophobicContact CG-CD2 4.24Å; W2669-F2673 HydrophobicContact CH2-CD2 4.14Å; W2669-F2673 AromaticContact CH2-CE2 3.66Å; W2669-F2673 HydrophobicContact CH2-CE2 3.75Å; W2669-F2673 HydrophobicContact CH2-CZ 4.4Å; W2669-F2673 AromaticContact CZ2-CD2 3.72Å; W2669-F2673 HydrophobicContact CZ2-CD2 3.95Å; W2669-F2673 AromaticContact CZ2-CE2 3.73Å; W2669-F2673 HydrophobicContact CZ2-CE2 3.73Å; W2669-F2673 HydrophobicContact CZ2-CG 4.49Å; W2669-F2673 HydrophobicContact CZ2-CZ 4.43Å; W2669-F2673 HydrophobicContact CZ3-CD2 4.4Å; W2669-F2673 AromaticContact CZ3-CE2 3.88Å; W2669-F2673 HydrophobicContact CZ3-CE2 3.98Å; W2669-F2673 AromaticContact NE1-CD2 3.83Å; W2669-F2673 WeakPolarHBondContact O-CB 3.36Å; W2669-F2673 WeakPolarHBondContact O-CD2 3.29Å; W2669-F2673 PolarHBondContact O-N 3.06Å; N2670-F2673 CarbonylContact O-C 3.55Å; N2670-F2673 PolarHBondContact O-N 2.89Å; F2673-N2675 PolarHBondContact O-N 3.2Å |
| 2674 | P | 64.1 | Low | 58 | Low | 84.6 Ų | 84.6 | 98.9 Ų | 98.9 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | trans | -60.8 | 130.8 | 177.3 | 27.4 | -34.2 | 0 | 0 | 0 | 109.8 | Y2672 K2676 | Y2672-P2674 VanDerWaalsContact O-CD 3.25Å; Y2672-P2674 WeakPolarHBondContact O-CD 3.26Å; P2674-K2676 WeakPolarHBondContact O-CG 3.38Å; P2674-K2676 PolarHBondContact O-N 3.24Å | ||
| 2675 | N | 52.3 | Low | 55.8 | Low | 110.2 Ų | 110.2 | 102.8 Ų | 102.8 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | trans | -65.7 | 99.2 | -170 | -171.9 | -15.6 | 0 | 0 | 0 | 111.4 | F2673 N2677 A2678 | F2673-N2675 PolarHBondContact O-N 3.2Å; N2675-N2677 PolarHBondContact O-N 3.15Å; N2675-N2677 WeakPolarHBondContact OD1-CB 3.32Å; N2675-N2677 PolarHBondContact OD1-N 3.03Å; N2675-N2677 VanDerWaalsContact OD1-N 3.17Å; N2675-A2678 WeakPolarHBondContact O-CB 3.29Å; N2675-A2678 PolarHBondContact O-N 3.1Å; N2675-A2678 VanDerWaalsContact O-N 3.13Å | ||
| 2676 | K | 48.3 | Very low | 53.6 | Low | 175 Ų | 175 | 106.2 Ų | 106.2 | 76% | 0.761 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -8.1 | -171.7 | -66 | -177.2 | 178.4 | 176.2 | 0 | 115.4 | P2674 A2678 S2679 | P2674-K2676 WeakPolarHBondContact O-CG 3.38Å; P2674-K2676 PolarHBondContact O-N 3.24Å; K2676-A2678 VanDerWaalsContact C-N 3.33Å; K2676-A2678 PolarHBondContact O-N 3Å; K2676-S2679 PolarHBondContact O-OG 3.36Å |
| 2677 | N | 39.9 | Very low | 51.3 | Low | 127.2 Ų | 127.2 | 112.5 Ų | 112.5 | 68% | 0.68 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -14.3 | 179.5 | -62.8 | -21.1 | 0 | 0 | 0 | 113.5 | N2675 S2679 K2680 | N2675-N2677 PolarHBondContact O-N 3.15Å; N2675-N2677 WeakPolarHBondContact OD1-CB 3.32Å; N2675-N2677 PolarHBondContact OD1-N 3.03Å; N2675-N2677 VanDerWaalsContact OD1-N 3.17Å; N2677-S2679 VanDerWaalsContact C-N 3.34Å; N2677-S2679 PolarHBondContact O-N 3.26Å; N2677-K2680 PolarHBondContact O-N 3.4Å |
| 2678 | A | 41.3 | Very low | 49.4 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -23.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2675 K2676 K2680 S2681 | N2675-A2678 WeakPolarHBondContact O-CB 3.29Å; N2675-A2678 PolarHBondContact O-N 3.1Å; N2675-A2678 VanDerWaalsContact O-N 3.13Å; K2676-A2678 VanDerWaalsContact C-N 3.33Å; K2676-A2678 PolarHBondContact O-N 3Å; A2678-K2680 PolarHBondContact O-N 3.01Å; A2678-K2680 VanDerWaalsContact O-N 3.17Å; A2678-S2681 PolarHBondContact O-N 3.43Å; A2678-S2681 PolarHBondContact O-OG 3.37Å |
| 2679 | S | 38.4 | Very low | 47.6 | Very low | 93 Ų | 93 | 123 Ų | 123 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 1.9 | -173.2 | 55.7 | 0 | 0 | 0 | 0 | 115.4 | K2676 N2677 S2683 | K2676-S2679 PolarHBondContact O-OG 3.36Å; N2677-S2679 VanDerWaalsContact C-N 3.34Å; N2677-S2679 PolarHBondContact O-N 3.26Å; S2679-S2683 PolarHBondContact O-OG 3.02Å |
| 2680 | K | 34.5 | Very low | 45.5 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 78% | 0.778 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -103.4 | -2.1 | -178.2 | -79.7 | -171.1 | 171.5 | -175 | 0 | 115.4 | N2677 A2678 Q2682 | N2677-K2680 PolarHBondContact O-N 3.4Å; A2678-K2680 PolarHBondContact O-N 3.01Å; A2678-K2680 VanDerWaalsContact O-N 3.17Å; K2680-Q2682 VanDerWaalsContact C-N 3.34Å; K2680-Q2682 PolarHBondContact O-N 3.27Å |
| 2681 | S | 32.9 | Very low | 43.3 | Very low | 108.6 Ų | 108.6 | 127 Ų | 127 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.4 | 14 | -172.8 | -10.4 | 0 | 0 | 0 | 0 | 115.3 | A2678 | A2678-S2681 PolarHBondContact O-N 3.43Å; A2678-S2681 PolarHBondContact O-OG 3.37Å |
| 2682 | Q | 36 | Very low | 41.5 | Very low | 189.2 Ų | 189.2 | 129 Ų | 129 | 88% | 0.884 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -143.8 | 33.5 | -178.2 | -149.3 | 172 | 9.1 | 0 | 0 | 115.1 | K2680 | K2680-Q2682 VanDerWaalsContact C-N 3.34Å; K2680-Q2682 PolarHBondContact O-N 3.27Å |
| 2683 | S | 30.5 | Very low | 39.6 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -152.1 | 95.4 | 171.4 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | S2679 | S2679-S2683 PolarHBondContact O-OG 3.02Š| ||
| 2684 | K | 29.8 | Very low | 37.8 | Very low | 191.4 Ų | 191.4 | 127.5 Ų | 127.5 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -147.5 | 114.2 | 165.4 | -166.8 | -178.8 | -177.6 | -172.4 | 0 | 110.4 | E2687 | K2684-E2687 WeakPolarHBondContact CE-OE2 3.24Å; K2684-E2687 IonicContact NZ-OE2 2.74Å; K2684-E2687 PolarHBondContact NZ-OE2 2.64Å | ||
| 2685 | I | 35.7 | Very low | 36.5 | Very low | 160.4 Ų | 160.4 | 128.9 Ų | 128.9 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | trans | -156 | 119.8 | 163.9 | -77.1 | 165.9 | 0 | 0 | 0 | 108.5 | ||||
| 2686 | T | 35 | Very low | 35.5 | Very low | 109.6 Ų | 109.6 | 133.3 Ų | 133.3 | 67% | 0.672 | 74% | 0.744 | S | S | * | * | 123 | 130.9 | 114 | -40.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2687 | E | 33.7 | Very low | 34.8 | Very low | 150.4 Ų | 150.4 | 131 Ų | 131 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | trans | 31.1 | 152.5 | 148.3 | -66.9 | 169.6 | 110.6 | 0 | 0 | 116.3 | K2684 | K2684-E2687 WeakPolarHBondContact CE-OE2 3.24Å; K2684-E2687 IonicContact NZ-OE2 2.74Å; K2684-E2687 PolarHBondContact NZ-OE2 2.64Å | ||
| 2688 | N | 35.5 | Very low | 34.5 | Very low | 120.6 Ų | 120.6 | 131.9 Ų | 131.9 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | 151.7 | 142.5 | 85.8 | -81.9 | -34.5 | 0 | 0 | 0 | 113.7 | |||||
| 2689 | Q | 39.5 | Very low | 34.2 | Very low | 158.2 Ų | 158.2 | 133.7 Ų | 133.7 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | cis | 162.8 | 167.4 | 35.9 | -109.1 | 171.6 | 64.5 | 0 | 0 | 114.7 | ||||
| 2690 | D | 33.1 | Very low | 34 | Very low | 155.2 Ų | 155.2 | 136.8 Ų | 136.8 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | 74.8 | 152.6 | 154.1 | -74.3 | -7.1 | 0 | 0 | 0 | 118.7 | ||||
| 2691 | G | 33.5 | Very low | 33.8 | Very low | 72.6 Ų | 72.6 | 133 Ų | 133 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 152.7 | 94.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2692 | A | 33.8 | Very low | 33.9 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 47.2 | 115.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2693 | S | 33.6 | Very low | 33.7 | Very low | 121.4 Ų | 121.4 | 131.2 Ų | 131.2 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | trans | 91.7 | 155.9 | 147.3 | 76.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2694 | S | 33 | Very low | 33.8 | Very low | 99.2 Ų | 99.2 | 131.3 Ų | 131.3 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | cis | -172.4 | 158.4 | -32.9 | -165.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2695 | V | 36.2 | Very low | 33.9 | Very low | 113.8 Ų | 113.8 | 130.4 Ų | 130.4 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | 87.9 | 98.8 | 163.5 | -175.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 2696 | R | 32.1 | Very low | 33.9 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 65.8 | 144.2 | 91.4 | -64.6 | -171.3 | -151.4 | 165.3 | 4.4 | 117.6 | |||||
| 2697 | D | 33.3 | Very low | 33.7 | Very low | 125.8 Ų | 125.8 | 129.4 Ų | 129.4 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | cis | -162.9 | 155.3 | 3.9 | -83.8 | -37 | 0 | 0 | 0 | 112.5 | ||||
| 2698 | I | 34.2 | Very low | 33.7 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | 111 | 129.9 | 91.2 | -57.4 | 165.3 | 0 | 0 | 0 | 116.1 | I2700 | I2698-I2700 HydrophobicContact CG2-CG1 4.42Š| |||
| 2699 | P | 33.4 | Very low | 33.5 | Very low | 115.8 Ų | 115.8 | 130.9 Ų | 130.9 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -106.5 | 166.4 | 177.1 | 37.9 | -28.8 | 0 | 0 | 0 | 113.8 | ||||
| 2700 | I | 35.4 | Very low | 33.3 | Very low | 158.2 Ų | 158.2 | 129 Ų | 129 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -134.3 | 135.3 | 171.6 | -62 | 164.4 | 0 | 0 | 0 | 109.7 | I2698 L2702 | I2698-I2700 HydrophobicContact CG2-CG1 4.42Å; I2700-L2702 HydrophobicContact CG2-CD1 3.99Å | ||
| 2701 | S | 30.2 | Very low | 33.2 | Very low | 98.6 Ų | 98.6 | 128.5 Ų | 128.5 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | -143.5 | 149.1 | -140 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2702 | L | 33.9 | Very low | 33.1 | Very low | 159 Ų | 159 | 132 Ų | 132 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -161.8 | 147.4 | 154.9 | -104.5 | 78.9 | 0 | 0 | 0 | 110.5 | I2700 | I2700-L2702 HydrophobicContact CG2-CD1 3.99Š| ||
| 2703 | S | 31.8 | Very low | 33.1 | Very low | 101.6 Ų | 101.6 | 139.1 Ų | 139.1 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | cis | 104.5 | 140.3 | 33.9 | 66.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2704 | S | 32.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | cis | -150.6 | 150.9 | 22.7 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2705 | Q | 32.7 | Very low | 32.8 | Very low | 172.2 Ų | 172.2 | 143.4 Ų | 143.4 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | 73.4 | 136.8 | 152.4 | -96.9 | 179.3 | -55 | 0 | 0 | 116.7 | ||||
| 2706 | V | 35 | Very low | 32.6 | Very low | 118.6 Ų | 118.6 | 146.3 Ų | 146.3 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | -155.6 | 141.7 | 90.3 | -110.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 2707 | N | 32.2 | Very low | 32.5 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 54.9 | 150 | 156.9 | -68 | 0.2 | 0 | 0 | 0 | 117.7 | ||||
| 2708 | N | 32.3 | Very low | 32.4 | Very low | 133.4 Ų | 133.4 | 139.7 Ų | 139.7 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 97.9 | 133.1 | 127 | -74.1 | 11.1 | 0 | 0 | 0 | 114.7 | |||||
| 2709 | E | 32.3 | Very low | 32.5 | Very low | 167.4 Ų | 167.4 | 137.6 Ų | 137.6 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | -176.8 | 139.7 | 102.8 | -110.9 | 161.6 | -150.8 | 0 | 0 | 114.3 | |||||
| 2710 | T | 35.1 | Very low | 32.3 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 53 | 131.9 | 161 | 57.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2711 | N | 31.7 | Very low | 32.3 | Very low | 143.6 Ų | 143.6 | 139.7 Ų | 139.7 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | trans | 44.8 | 136.1 | 146.2 | -65.1 | -22.2 | 0 | 0 | 0 | 121.3 | ||||
| 2712 | N | 31.3 | Very low | 32.3 | Very low | 145.8 Ų | 145.8 | 140 Ų | 140 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | 72.5 | 95.2 | 152.1 | -71.6 | -30.8 | 0 | 0 | 0 | 119.4 | ||||
| 2713 | R | 32.8 | Very low | 32.1 | Very low | 242.6 Ų | 242.6 | 143.7 Ų | 143.7 | 92% | 0.915 | 75% | 0.75 | S | S | * | * | trans | -167.1 | 119.5 | 142.1 | -85.1 | 157.4 | -164.8 | -143.7 | 2.7 | 112.2 | G2715 | R2713-G2715 PolarHBondContact O-N 3.24Š| ||
| 2714 | R | 30.1 | Very low | 31.9 | Very low | 253.4 Ų | 253.4 | 148.7 Ų | 148.7 | 96% | 0.956 | 75% | 0.753 | S | S | * | * | trans | -56.3 | 110 | 136 | -130.2 | -179.2 | -172.4 | 176.5 | 2.6 | 110.7 | ||||
| 2715 | G | 30.3 | Very low | 31.6 | Very low | 56.8 Ų | 56.8 | 149.3 Ų | 149.3 | 59% | 0.586 | 75% | 0.754 | S | S | * | * | trans | -176.6 | 131.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | R2713 | R2713-G2715 PolarHBondContact O-N 3.24Š| ||
| 2716 | H | 33 | Very low | 31.5 | Very low | 174.6 Ų | 174.6 | 145.6 Ų | 145.6 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 68.2 | 90.3 | 135.7 | -49.6 | -71.6 | 0 | 0 | 0 | 117.2 | S2718 | H2716-S2718 VanDerWaalsContact C-N 3.32Å; H2716-S2718 PolarHBondContact O-N 3.19Å | ||
| 2717 | A | 28.7 | Very low | 31.2 | Very low | 98.8 Ų | 98.8 | 143.9 Ų | 143.9 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -108.9 | 71.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T2719 | A2717-T2719 VanDerWaalsContact C-N 3.33Å; A2717-T2719 PolarHBondContact O-N 3.21Å; A2717-T2719 VanDerWaalsContact O-N 3.08Å | ||
| 2718 | S | 32.6 | Very low | 31.1 | Very low | 92.6 Ų | 92.6 | 143.9 Ų | 143.9 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | trans | -103.7 | 74.4 | -171.3 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | H2716 | H2716-S2718 VanDerWaalsContact C-N 3.32Å; H2716-S2718 PolarHBondContact O-N 3.19Å | ||
| 2719 | T | 34.7 | Very low | 30.9 | Very low | 101.8 Ų | 101.8 | 141.5 Ų | 141.5 | 63% | 0.625 | 75% | 0.749 | S | S | * | * | trans | -140.6 | 73.2 | 160.8 | -34.8 | 0 | 0 | 0 | 0 | 111 | A2717 Y2721 S2722 | A2717-T2719 VanDerWaalsContact C-N 3.33Å; A2717-T2719 PolarHBondContact O-N 3.21Å; A2717-T2719 VanDerWaalsContact O-N 3.08Å; T2719-Y2721 HydrophobicContact CG2-CE1 3.83Å; T2719-Y2721 HydrophobicContact CG2-CE2 4.42Å; T2719-Y2721 WeakPolarHBondContact CG2-OH 3.36Å; T2719-Y2721 PolarHBondContact O-N 3.38Å; T2719-S2722 PolarHBondContact O-N 3.19Å | ||
| 2720 | F | 30.1 | Very low | 30.7 | Very low | 167.4 Ų | 167.4 | 140.4 Ų | 140.4 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -102.1 | 90.2 | 168.6 | -88.3 | -87.5 | 0 | 0 | 0 | 111.9 | S2722 R2723 | F2720-S2722 PolarHBondContact O-N 3.2Å; F2720-R2723 PolarHBondContact O-N 3.29Å | ||
| 2721 | Y | 35.2 | Very low | 30.5 | Very low | 152.2 Ų | 152.2 | 140.9 Ų | 140.9 | 60% | 0.597 | 75% | 0.752 | S | S | * | * | trans | -92.2 | 74.8 | 168.5 | -55 | -73.2 | 0 | 0 | 0 | 111.4 | T2719 R2723 A2769 F2788 | T2719-Y2721 HydrophobicContact CG2-CE1 3.83Å; T2719-Y2721 HydrophobicContact CG2-CE2 4.42Å; T2719-Y2721 WeakPolarHBondContact CG2-OH 3.36Å; T2719-Y2721 PolarHBondContact O-N 3.38Å; Y2721-R2723 PolarHBondContact O-N 3.37Å; Y2721-A2769 WeakPolarHBondContact OH-CB 3.4Å; Y2721-F2788 HydrophobicContact CE1-CD2 4.19Å; Y2721-F2788 AromaticContact CE1-CE2 3.82Å; Y2721-F2788 HydrophobicContact CE1-CE2 4.23Å; Y2721-F2788 HydrophobicContact CE1-CZ 4.49Å; Y2721-F2788 WeakPolarHBondContact OH-CD2 3.47Å | ||
| 2722 | S | 30 | Very low | 30.4 | Very low | 104.4 Ų | 104.4 | 139.3 Ų | 139.3 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -120.9 | 76.9 | 168.3 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | T2719 F2720 R2724 | T2719-S2722 PolarHBondContact O-N 3.19Å; F2720-S2722 PolarHBondContact O-N 3.2Å; S2722-R2724 PolarHBondContact O-N 3.01Å | ||
| 2723 | R | 29.1 | Very low | 30.4 | Very low | 236.4 Ų | 236.4 | 137 Ų | 137 | 89% | 0.892 | 75% | 0.747 | S | S | * | * | trans | -128.2 | 95.2 | 158.9 | -94.5 | -177.5 | -139.9 | -146.5 | 0.8 | 111.6 | F2720 Y2721 P2725 | F2720-R2723 PolarHBondContact O-N 3.29Å; Y2721-R2723 PolarHBondContact O-N 3.37Å; R2723-P2725 WeakPolarHBondContact O-CD 3.4Å | ||
| 2724 | R | 28.3 | Very low | 30.2 | Very low | 207.2 Ų | 207.2 | 130.4 Ų | 130.4 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | trans | -90.3 | 117 | 167.2 | -173.7 | -177 | -168.5 | -179.2 | 7.6 | 108.4 | S2722 S2726 D2766 | S2722-R2724 PolarHBondContact O-N 3.01Å; R2724-S2726 VanDerWaalsContact C-N 3.34Å; R2724-S2726 WeakPolarHBondContact CD-OG 3.33Å; R2724-S2726 PolarHBondContact NE-OG 2.9Å; R2724-S2726 PolarHBondContact O-N 3.25Å; R2724-S2726 VanDerWaalsContact O-N 3.16Å; R2724-D2766 IonicContact CZ-OD2 3.07Å; R2724-D2766 VanDerWaalsContact CZ-OD2 3.31Å; R2724-D2766 IonicContact NH1-OD2 3.22Å; R2724-D2766 PolarHBondContact NH1-OD2 2.95Å; R2724-D2766 IonicContact NH2-OD1 3.26Å; R2724-D2766 IonicContact NH2-OD2 3.68Å; R2724-D2766 PolarHBondContact NH2-OD2 3.25Å | ||
| 2725 | P | 26.9 | Very low | 30.3 | Very low | 115.6 Ų | 115.6 | 123 Ų | 123 | 75% | 0.751 | 73% | 0.726 | S | S | * | * | trans | -75.3 | 112.3 | 169 | 14.4 | -9 | 0 | 0 | 0 | 108.6 | R2723 A2727 | R2723-P2725 WeakPolarHBondContact O-CD 3.4Å; P2725-A2727 PolarHBondContact O-N 3Å; P2725-A2727 VanDerWaalsContact O-N 3.15Å | ||
| 2726 | S | 29.3 | Very low | 30.4 | Very low | 93.8 Ų | 93.8 | 126.3 Ų | 126.3 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | trans | -78.8 | 104.7 | 154 | 157.5 | 0 | 0 | 0 | 0 | 110.1 | R2724 V2728 | R2724-S2726 VanDerWaalsContact C-N 3.34Å; R2724-S2726 WeakPolarHBondContact CD-OG 3.33Å; R2724-S2726 PolarHBondContact NE-OG 2.9Å; R2724-S2726 PolarHBondContact O-N 3.25Å; R2724-S2726 VanDerWaalsContact O-N 3.16Å; S2726-V2728 VanDerWaalsContact C-N 3.33Å; S2726-V2728 PolarHBondContact O-N 3.02Å | ||
| 2727 | A | 28.2 | Very low | 30.3 | Very low | 83.2 Ų | 83.2 | 123.5 Ų | 123.5 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | trans | -30.8 | 116.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P2725 A2729 V2759 | P2725-A2727 PolarHBondContact O-N 3Å; P2725-A2727 VanDerWaalsContact O-N 3.15Å; A2727-A2729 PolarHBondContact O-N 3.31Å; A2727-A2729 VanDerWaalsContact O-N 3.14Å; A2727-V2759 HydrophobicContact CB-CG2 3.74Å | ||
| 2728 | V | 30.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | trans | -57.6 | 104.8 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | S2726 N2730 | S2726-V2728 VanDerWaalsContact C-N 3.33Å; S2726-V2728 PolarHBondContact O-N 3.02Å; V2728-N2730 HydrophobicContact CG1-CB 3.68Å; V2728-N2730 WeakPolarHBondContact CG1-OD1 3.34Å; V2728-N2730 PolarHBondContact O-N 2.95Å; V2728-N2730 VanDerWaalsContact O-N 3.12Å | ||
| 2729 | A | 29.3 | Very low | 30.5 | Very low | 84.2 Ų | 84.2 | 126.1 Ų | 126.1 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | trans | -113.9 | 119 | 153 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2727 T2731 | A2727-A2729 PolarHBondContact O-N 3.31Å; A2727-A2729 VanDerWaalsContact O-N 3.14Å; A2729-T2731 PolarHBondContact O-N 3.33Å | ||
| 2730 | N | 28.6 | Very low | 30.6 | Very low | 144.8 Ų | 144.8 | 127.4 Ų | 127.4 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | trans | -121.5 | 118 | 150.6 | -71.1 | -10 | 0 | 0 | 0 | 114.6 | V2728 | V2728-N2730 HydrophobicContact CG1-CB 3.68Å; V2728-N2730 WeakPolarHBondContact CG1-OD1 3.34Å; V2728-N2730 PolarHBondContact O-N 2.95Å; V2728-N2730 VanDerWaalsContact O-N 3.12Å | ||
| 2731 | T | 30.1 | Very low | 30.6 | Very low | 130.2 Ų | 130.2 | 129.4 Ų | 129.4 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -165.7 | 118.8 | 137 | 38.7 | 0 | 0 | 0 | 0 | 112.3 | A2729 | A2729-T2731 PolarHBondContact O-N 3.33Š| ||
| 2732 | S | 30.4 | Very low | 30.5 | Very low | 109.6 Ų | 109.6 | 130.1 Ų | 130.1 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 25 | 102.9 | 144.7 | 31.3 | 0 | 0 | 0 | 0 | 114.5 | Q2172 S2734 | Q2172-S2732 PolarHBondContact NE2-O 2.75Å; Q2172-S2732 PolarHBondContact OE1-O 3.04Å; S2732-S2734 PolarHBondContact O-N 3.02Å | ||
| 2733 | S | 29.4 | Very low | 30.6 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | -172.1 | 132.9 | 65.9 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | Q2172 | Q2172-S2733 PolarHBondContact NE2-OG 3.09Å; Q2172-S2733 PolarHBondContact OE1-O 3.07Å | |||
| 2734 | S | 29.4 | Very low | 30.8 | Very low | 104.2 Ų | 104.2 | 123.2 Ų | 123.2 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | trans | 139.2 | 132.2 | 158.1 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | V2170 S2171 S2732 | V2170-S2734 WeakPolarHBondContact CG1-OG 3.4Å; S2171-S2734 PolarHBondContact OG-O 2.76Å; S2732-S2734 PolarHBondContact O-N 3.02Å | ||
| 2735 | S | 32.2 | Very low | 31.2 | Very low | 98.2 Ų | 98.2 | 120.6 Ų | 120.6 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | cis | -158.6 | 117.4 | 42.4 | 43.5 | 0 | 0 | 0 | 0 | 110 | V2170 S2171 T2737 | V2170-S2735 WeakPolarHBondContact CG1-OG 3.19Å; S2171-S2735 PolarHBondContact OG-N 2.83Å; S2171-S2735 PolarHBondContact OG-OG 3.13Å; S2735-T2737 PolarHBondContact O-N 2.59Å | ||
| 2736 | T | 31.9 | Very low | 31.5 | Very low | 125.6 Ų | 125.6 | 122 Ų | 122 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | trans | 178.3 | 115.9 | 151.1 | 20.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2737 | T | 32.3 | Very low | 31.8 | Very low | 115.8 Ų | 115.8 | 123 Ų | 123 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | trans | 68.8 | 137.5 | 142.1 | 46.9 | 0 | 0 | 0 | 0 | 116 | S2735 N2739 | S2735-T2737 PolarHBondContact O-N 2.59Å; T2737-N2739 PolarHBondContact O-N 3.49Å | ||
| 2738 | T | 34.1 | Very low | 32.1 | Very low | 118.8 Ų | 118.8 | 125.8 Ų | 125.8 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | -144.6 | 148.1 | 87.2 | 23.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2739 | N | 31.6 | Very low | 32.5 | Very low | 127.6 Ų | 127.6 | 126 Ų | 126 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | -81.4 | 130.2 | 165.2 | -77.9 | -33.6 | 0 | 0 | 0 | 115.5 | T2737 | T2737-N2739 PolarHBondContact O-N 3.49Š| ||
| 2740 | T | 35.6 | Very low | 32.9 | Very low | 128.2 Ų | 128.2 | 124.9 Ų | 124.9 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | -145.1 | 136.3 | 110.4 | 46.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 2741 | R | 30.1 | Very low | 33.7 | Very low | 210.4 Ų | 210.4 | 123.4 Ų | 123.4 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -77 | 141.7 | 170.2 | -66.4 | 172.3 | 168.4 | -177.2 | -6.6 | 113.2 | ||||
| 2742 | L | 34.1 | Very low | 34.4 | Very low | 166.4 Ų | 166.4 | 121.5 Ų | 121.5 | 87% | 0.871 | 72% | 0.724 | S | S | * | * | trans | -156.8 | 103.8 | 135.7 | -104.9 | 140 | 0 | 0 | 0 | 112.9 | ||||
| 2743 | S | 31.5 | Very low | 35 | Very low | 100.4 Ų | 100.4 | 123.1 Ų | 123.1 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | trans | 46 | 113.3 | 135.6 | -131 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2744 | S | 32.8 | Very low | 36.1 | Very low | 94.4 Ų | 94.4 | 123.5 Ų | 123.5 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | 63.6 | 119 | 127 | 65 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2745 | N | 36.7 | Very low | 37.2 | Very low | 152.8 Ų | 152.8 | 123.2 Ų | 123.2 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | 155.9 | 125.5 | 132.6 | -72.3 | -35.1 | 0 | 0 | 0 | 113.8 | ||||
| 2746 | D | 32.8 | Very low | 38.4 | Very low | 146.2 Ų | 146.2 | 121.4 Ų | 121.4 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | trans | -104.8 | 154.1 | 147.8 | -78.9 | -52.8 | 0 | 0 | 0 | 112.1 | ||||
| 2747 | P | 36.9 | Very low | 39.8 | Very low | 114.8 Ų | 114.8 | 118.6 Ų | 118.6 | 75% | 0.745 | 67% | 0.671 | S | S | * | * | trans | -126.5 | 128.2 | 130.7 | 36 | -24.7 | 0 | 0 | 0 | 115.1 | ||||
| 2748 | I | 34.2 | Very low | 41.3 | Very low | 140.8 Ų | 140.8 | 115.7 Ų | 115.7 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | trans | -66.5 | 133.8 | 158.6 | -58.6 | 156.6 | 0 | 0 | 0 | 112.3 | A2750 | I2748-A2750 VanDerWaalsContact C-N 3.33Å; I2748-A2750 HydrophobicContact CG2-CB 3.47Å; I2748-A2750 VanDerWaalsContact CG2-CB 3.47Å; I2748-A2750 PolarHBondContact O-N 2.97Å | ||
| 2749 | T | 38.3 | Very low | 43 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 73.6 | 44.5 | 165.4 | -35.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 2750 | A | 38.8 | Very low | 44.8 | Very low | 62.4 Ų | 62.4 | 111.2 Ų | 111.2 | 52% | 0.516 | 64% | 0.635 | S | S | . | * | trans | -117.3 | -32.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | I2748 S2752 F2753 | I2748-A2750 VanDerWaalsContact C-N 3.33Å; I2748-A2750 HydrophobicContact CG2-CB 3.47Å; I2748-A2750 VanDerWaalsContact CG2-CB 3.47Å; I2748-A2750 PolarHBondContact O-N 2.97Å; A2750-S2752 PolarHBondContact O-N 2.86Å; A2750-F2753 PolarHBondContact O-N 3.16Å | ||
| 2751 | N | 43.8 | Very low | 46.4 | Very low | 113.6 Ų | 113.6 | 109.7 Ų | 109.7 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.5 | -26.3 | -159.4 | -69.1 | 4.4 | 0 | 0 | 0 | 115.9 | F2753 I2754 D2755 | N2751-F2753 VanDerWaalsContact C-N 3.27Å; N2751-F2753 PolarHBondContact O-N 2.92Å; N2751-F2753 VanDerWaalsContact O-N 3.08Å; N2751-I2754 CarbonylContact O-C 3.59Å; N2751-I2754 WeakPolarHBondContact O-CA 3.39Å; N2751-I2754 VanDerWaalsContact O-CB 3.29Å; N2751-I2754 WeakPolarHBondContact O-CB 3.32Å; N2751-I2754 PolarHBondContact O-N 3.04Å; N2751-I2754 VanDerWaalsContact O-N 3.08Å; N2751-D2755 VanDerWaalsContact O-CG 3.31Å; N2751-D2755 PolarHBondContact O-N 3.3Å; N2751-D2755 VanDerWaalsContact O-N 3.15Å |
| 2752 | S | 44.9 | Very low | 48.6 | Very low | 89.8 Ų | 89.8 | 100.8 Ų | 100.8 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.2 | -26.6 | -175.9 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | A2750 D2755 S2756 | A2750-S2752 PolarHBondContact O-N 2.86Å; S2752-D2755 WeakPolarHBondContact CA-OD2 3.32Å; S2752-S2756 PolarHBondContact O-N 3Å; S2752-S2756 PolarHBondContact O-OG 3.48Å |
| 2753 | F | 43.2 | Very low | 50.7 | Low | 142.6 Ų | 142.6 | 97.6 Ų | 97.6 | 63% | 0.625 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.8 | -31.2 | 174.6 | -148.3 | -91 | 0 | 0 | 0 | 111.9 | A2750 N2751 S2756 V2757 | A2750-F2753 PolarHBondContact O-N 3.16Å; N2751-F2753 VanDerWaalsContact C-N 3.27Å; N2751-F2753 PolarHBondContact O-N 2.92Å; N2751-F2753 VanDerWaalsContact O-N 3.08Å; F2753-S2756 PolarHBondContact O-N 3.06Å; F2753-S2756 PolarHBondContact O-OG 3.09Å; F2753-S2756 VanDerWaalsContact O-OG 3.14Å; F2753-V2757 HydrophobicContact CD1-CG2 4.01Å; F2753-V2757 HydrophobicContact CE1-CG2 4.02Å; F2753-V2757 VanDerWaalsContact O-CG2 3.29Å; F2753-V2757 WeakPolarHBondContact O-CG2 3.35Å; F2753-V2757 PolarHBondContact O-N 3.1Å; F2753-V2757 VanDerWaalsContact O-N 3.13Å |
| 2754 | I | 52.6 | Low | 53 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 55% | 0.549 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69 | -43.8 | 176.7 | -57.9 | 176.5 | 0 | 0 | 0 | 110 | N2751 S2756 V2757 A2758 | N2751-I2754 CarbonylContact O-C 3.59Å; N2751-I2754 WeakPolarHBondContact O-CA 3.39Å; N2751-I2754 VanDerWaalsContact O-CB 3.29Å; N2751-I2754 WeakPolarHBondContact O-CB 3.32Å; N2751-I2754 PolarHBondContact O-N 3.04Å; N2751-I2754 VanDerWaalsContact O-N 3.08Å; I2754-S2756 VanDerWaalsContact C-N 3.35Å; I2754-S2756 PolarHBondContact O-N 2.92Å; I2754-V2757 CarbonylContact O-C 3.52Å; I2754-V2757 PolarHBondContact O-N 3.07Å; I2754-A2758 WeakPolarHBondContact O-CB 3.24Å; I2754-A2758 PolarHBondContact O-N 3.05Å |
| 2755 | D | 53.6 | Low | 55.4 | Low | 98 Ų | 98 | 102 Ų | 102 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -40.9 | 177.4 | -73.5 | -28.1 | 0 | 0 | 0 | 112.3 | N2751 S2752 V2757 A2758 V2759 | N2751-D2755 VanDerWaalsContact O-CG 3.31Å; N2751-D2755 PolarHBondContact O-N 3.3Å; N2751-D2755 VanDerWaalsContact O-N 3.15Å; S2752-D2755 WeakPolarHBondContact CA-OD2 3.32Å; D2755-V2757 VanDerWaalsContact C-N 3.32Å; D2755-V2757 PolarHBondContact O-N 3.04Å; D2755-A2758 PolarHBondContact O-N 3.12Å; D2755-V2759 WeakPolarHBondContact O-CB 3.31Å; D2755-V2759 VanDerWaalsContact O-CG2 3.3Å; D2755-V2759 WeakPolarHBondContact O-CG2 3.44Å; D2755-V2759 PolarHBondContact O-N 3.33Å |
| 2756 | S | 56.4 | Low | 57.4 | Low | 59.8 Ų | 59.8 | 98.1 Ų | 98.1 | 42% | 0.418 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.3 | 91.1 | 0 | 0 | 0 | 0 | 112.2 | S2752 F2753 I2754 A2758 V2759 V2760 | S2752-S2756 PolarHBondContact O-N 3Å; S2752-S2756 PolarHBondContact O-OG 3.48Å; F2753-S2756 PolarHBondContact O-N 3.06Å; F2753-S2756 PolarHBondContact O-OG 3.09Å; F2753-S2756 VanDerWaalsContact O-OG 3.14Å; I2754-S2756 VanDerWaalsContact C-N 3.35Å; I2754-S2756 PolarHBondContact O-N 2.92Å; S2756-A2758 VanDerWaalsContact C-N 3.28Å; S2756-A2758 PolarHBondContact O-N 3.27Å; S2756-V2759 PolarHBondContact O-N 3.12Å; S2756-V2760 WeakPolarHBondContact O-CB 3.4Å; S2756-V2760 VanDerWaalsContact O-CG2 3.31Å; S2756-V2760 WeakPolarHBondContact O-CG2 3.25Å; S2756-V2760 PolarHBondContact O-N 3.09Å |
| 2757 | V | 60.9 | Low | 59.7 | Low | 67 Ų | 67 | 96.4 Ų | 96.4 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F2753 I2754 D2755 V2760 L2761 | F2753-V2757 HydrophobicContact CD1-CG2 4.01Å; F2753-V2757 HydrophobicContact CE1-CG2 4.02Å; F2753-V2757 VanDerWaalsContact O-CG2 3.29Å; F2753-V2757 WeakPolarHBondContact O-CG2 3.35Å; F2753-V2757 PolarHBondContact O-N 3.1Å; F2753-V2757 VanDerWaalsContact O-N 3.13Å; I2754-V2757 CarbonylContact O-C 3.52Å; I2754-V2757 PolarHBondContact O-N 3.07Å; D2755-V2757 VanDerWaalsContact C-N 3.32Å; D2755-V2757 PolarHBondContact O-N 3.04Å; V2757-V2760 PolarHBondContact O-N 2.97Å; V2757-L2761 HydrophobicContact CG1-CD1 3.8Å; V2757-L2761 HydrophobicContact CG1-CG 4.21Å; V2757-L2761 VanDerWaalsContact O-CB 3.29Å; V2757-L2761 WeakPolarHBondContact O-CB 3.31Å; V2757-L2761 VanDerWaalsContact O-CG 3.24Å; V2757-L2761 WeakPolarHBondContact O-CG 3.35Å; V2757-L2761 PolarHBondContact O-N 3.15Å |
| 2758 | A | 65.2 | Low | 62 | Low | 54 Ų | 54 | 94.2 Ų | 94.2 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I2754 D2755 S2756 L2761 G2762 | I2754-A2758 WeakPolarHBondContact O-CB 3.24Å; I2754-A2758 PolarHBondContact O-N 3.05Å; D2755-A2758 PolarHBondContact O-N 3.12Å; S2756-A2758 VanDerWaalsContact C-N 3.28Å; S2756-A2758 PolarHBondContact O-N 3.27Å; A2758-L2761 PolarHBondContact O-N 3.09Å; A2758-G2762 VanDerWaalsContact O-CA 3.25Å; A2758-G2762 WeakPolarHBondContact O-CA 3.44Å; A2758-G2762 PolarHBondContact O-N 3.11Å |
| 2759 | V | 68.9 | Low | 64.3 | Low | 73.8 Ų | 73.8 | 89.6 Ų | 89.6 | 45% | 0.447 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 173.4 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | A2727 D2755 S2756 G2762 Q2763 | A2727-V2759 HydrophobicContact CB-CG2 3.74Å; D2755-V2759 WeakPolarHBondContact O-CB 3.31Å; D2755-V2759 VanDerWaalsContact O-CG2 3.3Å; D2755-V2759 WeakPolarHBondContact O-CG2 3.44Å; D2755-V2759 PolarHBondContact O-N 3.33Å; S2756-V2759 PolarHBondContact O-N 3.12Å; V2759-G2762 PolarHBondContact O-N 3.29Å; V2759-Q2763 WeakPolarHBondContact O-CB 3.44Å; V2759-Q2763 VanDerWaalsContact O-CG 3.31Å; V2759-Q2763 WeakPolarHBondContact O-CG 3.42Å; V2759-Q2763 PolarHBondContact O-N 3.16Å |
| 2760 | V | 68.7 | Low | 66.4 | Low | 78 Ų | 78 | 87.1 Ų | 87.1 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | S2756 V2757 Q2763 R2764 | S2756-V2760 WeakPolarHBondContact O-CB 3.4Å; S2756-V2760 VanDerWaalsContact O-CG2 3.31Å; S2756-V2760 WeakPolarHBondContact O-CG2 3.25Å; S2756-V2760 PolarHBondContact O-N 3.09Å; V2757-V2760 PolarHBondContact O-N 2.97Å; V2760-Q2763 PolarHBondContact O-N 3.09Å; V2760-R2764 VanDerWaalsContact O-CB 3.3Å; V2760-R2764 WeakPolarHBondContact O-CB 3.3Å; V2760-R2764 WeakPolarHBondContact O-CG 3.46Å; V2760-R2764 PolarHBondContact O-N 3.16Å; V2760-R2764 VanDerWaalsContact O-N 3.12Å |
| 2761 | L | 71 | Confident | 68.6 | Low | 98.4 Ų | 98.4 | 87.1 Ų | 87.1 | 52% | 0.515 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 173.4 | -72.4 | 173.5 | 0 | 0 | 0 | 111.7 | V2757 A2758 R2764 Q2765 | V2757-L2761 HydrophobicContact CG1-CD1 3.8Å; V2757-L2761 HydrophobicContact CG1-CG 4.21Å; V2757-L2761 VanDerWaalsContact O-CB 3.29Å; V2757-L2761 WeakPolarHBondContact O-CB 3.31Å; V2757-L2761 VanDerWaalsContact O-CG 3.24Å; V2757-L2761 WeakPolarHBondContact O-CG 3.35Å; V2757-L2761 PolarHBondContact O-N 3.15Å; A2758-L2761 PolarHBondContact O-N 3.09Å; L2761-R2764 WeakPolarHBondContact O-CB 3.5Å; L2761-R2764 PolarHBondContact O-N 3.02Å; L2761-Q2765 VanDerWaalsContact O-CB 3.27Å; L2761-Q2765 WeakPolarHBondContact O-CB 3.42Å; L2761-Q2765 PolarHBondContact O-N 3.04Å |
| 2762 | G | 76.2 | Confident | 70.5 | Confident | 22 Ų | 22 | 87 Ų | 87 | 23% | 0.227 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.2 | -51.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | A2758 V2759 R2764 Q2765 D2766 | A2758-G2762 VanDerWaalsContact O-CA 3.25Å; A2758-G2762 WeakPolarHBondContact O-CA 3.44Å; A2758-G2762 PolarHBondContact O-N 3.11Å; V2759-G2762 PolarHBondContact O-N 3.29Å; G2762-R2764 VanDerWaalsContact C-N 3.28Å; G2762-R2764 PolarHBondContact O-N 3.05Å; G2762-Q2765 CarbonylContact O-C 3.54Å; G2762-Q2765 WeakPolarHBondContact O-CA 3.38Å; G2762-Q2765 WeakPolarHBondContact O-CB 3.4Å; G2762-Q2765 PolarHBondContact O-N 3.31Å; G2762-Q2765 VanDerWaalsContact O-N 3.1Å; G2762-D2766 WeakPolarHBondContact O-CB 3.42Å; G2762-D2766 VanDerWaalsContact O-CG 3.26Å; G2762-D2766 PolarHBondContact O-N 3.17Å |
| 2763 | Q | 77.1 | Confident | 72.2 | Confident | 99 Ų | 99 | 83.4 Ų | 83.4 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 175.9 | -72 | 176 | 4.7 | 0 | 0 | 112.6 | V2759 V2760 D2766 F2767 | V2759-Q2763 WeakPolarHBondContact O-CB 3.44Å; V2759-Q2763 VanDerWaalsContact O-CG 3.31Å; V2759-Q2763 WeakPolarHBondContact O-CG 3.42Å; V2759-Q2763 PolarHBondContact O-N 3.16Å; V2760-Q2763 PolarHBondContact O-N 3.09Å; Q2763-D2766 PolarHBondContact O-N 3.05Å; Q2763-F2767 VanDerWaalsContact O-CB 3.3Å; Q2763-F2767 WeakPolarHBondContact O-CB 3.35Å; Q2763-F2767 PolarHBondContact O-N 3.13Å |
| 2764 | R | 79.5 | Confident | 74 | Confident | 156.2 Ų | 156.2 | 79.2 Ų | 79.2 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 173 | -164.6 | 177.9 | 175.7 | 170.9 | 1.2 | 112 | V2760 L2761 G2762 L2768 | V2760-R2764 VanDerWaalsContact O-CB 3.3Å; V2760-R2764 WeakPolarHBondContact O-CB 3.3Å; V2760-R2764 WeakPolarHBondContact O-CG 3.46Å; V2760-R2764 PolarHBondContact O-N 3.16Å; V2760-R2764 VanDerWaalsContact O-N 3.12Å; L2761-R2764 WeakPolarHBondContact O-CB 3.5Å; L2761-R2764 PolarHBondContact O-N 3.02Å; G2762-R2764 VanDerWaalsContact C-N 3.28Å; G2762-R2764 PolarHBondContact O-N 3.05Å; R2764-L2768 HydrophobicContact CG-CD1 4.06Å; R2764-L2768 VanDerWaalsContact O-CB 3.23Å; R2764-L2768 WeakPolarHBondContact O-CB 3.28Å; R2764-L2768 VanDerWaalsContact O-CG 3.24Å; R2764-L2768 WeakPolarHBondContact O-CG 3.38Å; R2764-L2768 PolarHBondContact O-N 3.14Å |
| 2765 | Q | 83 | Confident | 75.4 | Confident | 131.2 Ų | 131.2 | 78.8 Ų | 78.8 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.1 | -43.9 | 177.3 | -178.5 | 173.3 | -12.7 | 0 | 0 | 111.3 | L2761 G2762 F2767 L2768 A2769 | L2761-Q2765 VanDerWaalsContact O-CB 3.27Å; L2761-Q2765 WeakPolarHBondContact O-CB 3.42Å; L2761-Q2765 PolarHBondContact O-N 3.04Å; G2762-Q2765 CarbonylContact O-C 3.54Å; G2762-Q2765 WeakPolarHBondContact O-CA 3.38Å; G2762-Q2765 WeakPolarHBondContact O-CB 3.4Å; G2762-Q2765 PolarHBondContact O-N 3.31Å; G2762-Q2765 VanDerWaalsContact O-N 3.1Å; Q2765-F2767 PolarHBondContact O-N 3.06Å; Q2765-L2768 PolarHBondContact O-N 3.23Å; Q2765-A2769 WeakPolarHBondContact O-CA 3.35Å; Q2765-A2769 VanDerWaalsContact O-CB 3.32Å; Q2765-A2769 WeakPolarHBondContact O-CB 3.28Å; Q2765-A2769 PolarHBondContact O-N 3.14Å |
| 2766 | D | 78.7 | Confident | 76.8 | Confident | 72.2 Ų | 72.2 | 78.8 Ų | 78.8 | 39% | 0.386 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.3 | -66.6 | -26.3 | 0 | 0 | 0 | 111.2 | R2724 G2762 Q2763 L2768 A2769 Y2770 | R2724-D2766 IonicContact CZ-OD2 3.07Å; R2724-D2766 VanDerWaalsContact CZ-OD2 3.31Å; R2724-D2766 IonicContact NH1-OD2 3.22Å; R2724-D2766 PolarHBondContact NH1-OD2 2.95Å; R2724-D2766 IonicContact NH2-OD1 3.26Å; R2724-D2766 IonicContact NH2-OD2 3.68Å; R2724-D2766 PolarHBondContact NH2-OD2 3.25Å; G2762-D2766 WeakPolarHBondContact O-CB 3.42Å; G2762-D2766 VanDerWaalsContact O-CG 3.26Å; G2762-D2766 PolarHBondContact O-N 3.17Å; Q2763-D2766 PolarHBondContact O-N 3.05Å; D2766-L2768 PolarHBondContact O-N 3.06Å; D2766-A2769 PolarHBondContact O-N 3.16Å; D2766-Y2770 WeakPolarHBondContact O-CB 3.39Å; D2766-Y2770 PolarHBondContact O-N 3.02Å |
| 2767 | F | 82.1 | Confident | 77.7 | Confident | 110.2 Ų | 110.2 | 76.9 Ų | 76.9 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 175.6 | 175.8 | -98.4 | 0 | 0 | 0 | 112.4 | L2663 A2667 Q2763 Q2765 Y2770 L2771 | L2663-F2767 HydrophobicContact CB-CE2 4.2Å; A2667-F2767 HydrophobicContact CB-CD2 4.03Å; Q2763-F2767 VanDerWaalsContact O-CB 3.3Å; Q2763-F2767 WeakPolarHBondContact O-CB 3.35Å; Q2763-F2767 PolarHBondContact O-N 3.13Å; Q2765-F2767 PolarHBondContact O-N 3.06Å; F2767-Y2770 PolarHBondContact O-N 3.12Å; F2767-L2771 HydrophobicContact CE1-CD2 4.41Å; F2767-L2771 WeakPolarHBondContact O-CB 3.33Å; F2767-L2771 PolarHBondContact O-N 3.06Å |
| 2768 | L | 85.1 | Confident | 78.2 | Confident | 68.2 Ų | 68.2 | 77.4 Ų | 77.4 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176.1 | -73.8 | 171.6 | 0 | 0 | 0 | 111.4 | R2764 Q2765 D2766 Y2770 L2771 F2772 | R2764-L2768 HydrophobicContact CG-CD1 4.06Å; R2764-L2768 VanDerWaalsContact O-CB 3.23Å; R2764-L2768 WeakPolarHBondContact O-CB 3.28Å; R2764-L2768 VanDerWaalsContact O-CG 3.24Å; R2764-L2768 WeakPolarHBondContact O-CG 3.38Å; R2764-L2768 PolarHBondContact O-N 3.14Å; Q2765-L2768 PolarHBondContact O-N 3.23Å; D2766-L2768 PolarHBondContact O-N 3.06Å; L2768-Y2770 VanDerWaalsContact C-N 3.33Å; L2768-Y2770 PolarHBondContact O-N 3.01Å; L2768-L2771 PolarHBondContact O-N 3.15Å; L2768-F2772 HydrophobicContact CB-CD2 4.42Å; L2768-F2772 HydrophobicContact CB-CE2 4.41Å; L2768-F2772 WeakPolarHBondContact O-CB 3.3Å; L2768-F2772 WeakPolarHBondContact O-CD2 3.31Å; L2768-F2772 PolarHBondContact O-N 3.2Å |
| 2769 | A | 83 | Confident | 78.4 | Confident | 43.6 Ų | 43.6 | 77.1 Ų | 77.1 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y2721 Q2765 D2766 F2772 S2773 | Y2721-A2769 WeakPolarHBondContact OH-CB 3.4Å; Q2765-A2769 WeakPolarHBondContact O-CA 3.35Å; Q2765-A2769 VanDerWaalsContact O-CB 3.32Å; Q2765-A2769 WeakPolarHBondContact O-CB 3.28Å; Q2765-A2769 PolarHBondContact O-N 3.14Å; D2766-A2769 PolarHBondContact O-N 3.16Å; A2769-F2772 CarbonylContact O-C 3.46Å; A2769-F2772 PolarHBondContact O-N 3.23Å; A2769-S2773 VanDerWaalsContact O-CB 3.31Å; A2769-S2773 WeakPolarHBondContact O-CB 3.29Å; A2769-S2773 PolarHBondContact O-N 3.18Å |
| 2770 | Y | 82.4 | Confident | 78.6 | Confident | 81.4 Ų | 81.4 | 75.3 Ų | 75.3 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 172.8 | 178.4 | -120.6 | 0 | 0 | 0 | 112.1 | L2663 S2666 A2667 N2670 D2766 F2767 L2768 F2772 S2773 I2774 V2786 P2787 F2788 I2789 | L2663-Y2770 HydrophobicContact CD2-CE1 4.14Å; S2666-Y2770 VanDerWaalsContact CB-CE1 3.43Å; S2666-Y2770 WeakPolarHBondContact CB-OH 3.27Å; A2667-Y2770 HydrophobicContact CB-CD1 3.86Å; A2667-Y2770 HydrophobicContact CB-CG 4.49Å; N2670-Y2770 WeakPolarHBondContact ND2-CD2 3.48Å; D2766-Y2770 WeakPolarHBondContact O-CB 3.39Å; D2766-Y2770 PolarHBondContact O-N 3.02Å; F2767-Y2770 PolarHBondContact O-N 3.12Å; L2768-Y2770 VanDerWaalsContact C-N 3.33Å; L2768-Y2770 PolarHBondContact O-N 3.01Å; Y2770-F2772 PolarHBondContact O-N 3.24Å; Y2770-S2773 CarbonylContact O-C 3.58Å; Y2770-S2773 VanDerWaalsContact O-CA 3.28Å; Y2770-S2773 WeakPolarHBondContact O-CA 3.38Å; Y2770-S2773 WeakPolarHBondContact O-CB 3.36Å; Y2770-S2773 PolarHBondContact O-N 3.16Å; Y2770-I2774 HydrophobicContact CD1-CD1 4.08Å; Y2770-I2774 HydrophobicContact CD2-CD1 4.43Å; Y2770-I2774 HydrophobicContact CD2-CG1 3.98Å; Y2770-I2774 HydrophobicContact CE1-CD1 3.62Å; Y2770-I2774 HydrophobicContact CE1-CG1 4.33Å; Y2770-I2774 HydrophobicContact CE2-CD1 4.09Å; Y2770-I2774 HydrophobicContact CE2-CG1 4.22Å; Y2770-I2774 VanDerWaalsContact CE2-CG1 3.5Å; Y2770-I2774 HydrophobicContact CG-CD1 4.47Å; Y2770-I2774 WeakPolarHBondContact O-CG1 3.4Å; Y2770-I2774 PolarHBondContact O-N 3.15Å; Y2770-V2786 HydrophobicContact CD2-CG1 3.89Å; Y2770-V2786 HydrophobicContact CE2-CG1 3.41Å; Y2770-V2786 VanDerWaalsContact CE2-CG1 3.41Å; Y2770-P2787 PolarHBondContact OH-O 3.46Å; Y2770-F2788 HydrophobicContact CD2-CB 4.35Å; Y2770-F2788 AromaticContact CD2-CD1 3.74Å; Y2770-F2788 HydrophobicContact CD2-CD1 3.74Å; Y2770-F2788 HydrophobicContact CD2-CE1 4.36Å; Y2770-F2788 AromaticContact CD2-CG 3.97Å; Y2770-F2788 HydrophobicContact CD2-CG 4.27Å; Y2770-F2788 HydrophobicContact CE2-CD1 4.4Å; Y2770-F2788 HydrophobicContact CG-CD1 4.41Å; Y2770-I2789 HydrophobicContact CE1-CD1 4.45Å; Y2770-I2789 WeakPolarHBondContact OH-CD1 3.43Å |
| 2771 | L | 84.8 | Confident | 78.9 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.7 | -175.6 | 62.4 | 0 | 0 | 0 | 112.2 | F2767 L2768 S2773 I2774 M2775 | F2767-L2771 HydrophobicContact CE1-CD2 4.41Å; F2767-L2771 WeakPolarHBondContact O-CB 3.33Å; F2767-L2771 PolarHBondContact O-N 3.06Å; L2768-L2771 PolarHBondContact O-N 3.15Å; L2771-S2773 VanDerWaalsContact C-N 3.32Å; L2771-S2773 PolarHBondContact O-N 3.21Å; L2771-I2774 HydrophobicContact CD1-CD1 4.34Å; L2771-I2774 PolarHBondContact O-N 3.3Å; L2771-M2775 HydrophobicContact CG-CE 4.22Å; L2771-M2775 WeakPolarHBondContact O-CG 3.26Å; L2771-M2775 PolarHBondContact O-N 3.04Å |
| 2772 | F | 82.5 | Confident | 79.1 | Confident | 111.2 Ų | 111.2 | 73.6 Ų | 73.6 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 172.3 | -77.5 | -62.8 | 0 | 0 | 0 | 112.3 | L2768 A2769 Y2770 M2775 R2776 | L2768-F2772 HydrophobicContact CB-CD2 4.42Å; L2768-F2772 HydrophobicContact CB-CE2 4.41Å; L2768-F2772 WeakPolarHBondContact O-CB 3.3Å; L2768-F2772 WeakPolarHBondContact O-CD2 3.31Å; L2768-F2772 PolarHBondContact O-N 3.2Å; A2769-F2772 CarbonylContact O-C 3.46Å; A2769-F2772 PolarHBondContact O-N 3.23Å; Y2770-F2772 PolarHBondContact O-N 3.24Å; F2772-M2775 HydrophobicContact CD1-CE 3.38Å; F2772-M2775 VanDerWaalsContact CD1-CE 3.4Å; F2772-M2775 HydrophobicContact CE1-CE 3.7Å; F2772-M2775 HydrophobicContact CG-CE 4.1Å; F2772-M2775 PolarHBondContact O-N 3.25Å; F2772-R2776 WeakPolarHBondContact O-CB 3.37Å; F2772-R2776 VanDerWaalsContact O-CG 3.3Å; F2772-R2776 WeakPolarHBondContact O-CG 3.38Å; F2772-R2776 PolarHBondContact O-N 3.11Å; F2772-R2776 PolarHBondContact O-NH1 2.94Å; F2772-R2776 VanDerWaalsContact O-NH1 3.07Å |
| 2773 | S | 82.1 | Confident | 78.7 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 172.8 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | A2769 Y2770 L2771 M2775 R2776 T2777 H2782 P2787 F2788 | A2769-S2773 VanDerWaalsContact O-CB 3.31Å; A2769-S2773 WeakPolarHBondContact O-CB 3.29Å; A2769-S2773 PolarHBondContact O-N 3.18Å; Y2770-S2773 CarbonylContact O-C 3.58Å; Y2770-S2773 VanDerWaalsContact O-CA 3.28Å; Y2770-S2773 WeakPolarHBondContact O-CA 3.38Å; Y2770-S2773 WeakPolarHBondContact O-CB 3.36Å; Y2770-S2773 PolarHBondContact O-N 3.16Å; L2771-S2773 VanDerWaalsContact C-N 3.32Å; L2771-S2773 PolarHBondContact O-N 3.21Å; S2773-M2775 VanDerWaalsContact C-N 3.32Å; S2773-M2775 PolarHBondContact O-N 3.24Å; S2773-R2776 CarbonylContact O-C 3.4Å; S2773-R2776 WeakPolarHBondContact O-CA 3.37Å; S2773-R2776 PolarHBondContact O-N 3.17Å; S2773-T2777 VanDerWaalsContact O-CB 3.27Å; S2773-T2777 WeakPolarHBondContact O-CB 3.23Å; S2773-T2777 VanDerWaalsContact O-CG2 3.25Å; S2773-T2777 WeakPolarHBondContact O-CG2 3.37Å; S2773-T2777 PolarHBondContact O-N 3.18Å; S2773-T2777 PolarHBondContact O-OG1 3.18Å; S2773-T2777 VanDerWaalsContact O-OG1 3.1Å; S2773-H2782 WeakPolarHBondContact CA-NE2 3.34Å; S2773-H2782 PolarHBondContact O-NE2 3.15Å; S2773-H2782 VanDerWaalsContact O-NE2 3.16Å; S2773-H2782 PolarHBondContact OG-CE1 2.98Å; S2773-H2782 VanDerWaalsContact OG-CE1 3.31Å; S2773-H2782 PolarHBondContact OG-NE2 3.13Å; S2773-P2787 WeakPolarHBondContact OG-CA 3.33Å; S2773-F2788 PolarHBondContact OG-N 3.21Å; S2773-F2788 VanDerWaalsContact OG-N 3.09Å |
| 2774 | I | 80.7 | Confident | 78.4 | Confident | 53.6 Ų | 53.6 | 75.5 Ų | 75.5 | 28% | 0.275 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.3 | -66.5 | 167 | 0 | 0 | 0 | 110.9 | L2663 Y2770 L2771 R2776 T2777 S2778 I2789 P2791 | L2663-I2774 HydrophobicContact CD2-CD1 3.83Å; Y2770-I2774 HydrophobicContact CD1-CD1 4.08Å; Y2770-I2774 HydrophobicContact CD2-CD1 4.43Å; Y2770-I2774 HydrophobicContact CD2-CG1 3.98Å; Y2770-I2774 HydrophobicContact CE1-CD1 3.62Å; Y2770-I2774 HydrophobicContact CE1-CG1 4.33Å; Y2770-I2774 HydrophobicContact CE2-CD1 4.09Å; Y2770-I2774 HydrophobicContact CE2-CG1 4.22Å; Y2770-I2774 VanDerWaalsContact CE2-CG1 3.5Å; Y2770-I2774 HydrophobicContact CG-CD1 4.47Å; Y2770-I2774 WeakPolarHBondContact O-CG1 3.4Å; Y2770-I2774 PolarHBondContact O-N 3.15Å; L2771-I2774 HydrophobicContact CD1-CD1 4.34Å; L2771-I2774 PolarHBondContact O-N 3.3Å; I2774-R2776 PolarHBondContact O-N 3.04Å; I2774-R2776 VanDerWaalsContact O-N 3.1Å; I2774-T2777 WeakPolarHBondContact CA-OG1 3.05Å; I2774-T2777 PolarHBondContact O-N 3.06Å; I2774-T2777 PolarHBondContact O-OG1 3.21Å; I2774-S2778 WeakPolarHBondContact O-CB 3.4Å; I2774-S2778 PolarHBondContact O-N 3.09Å; I2774-S2778 VanDerWaalsContact O-N 3.13Å; I2774-S2778 PolarHBondContact O-OG 3.19Å; I2774-S2778 VanDerWaalsContact O-OG 3.08Å; I2774-I2789 WeakPolarHBondContact CG2-O 3.35Å; I2774-P2791 HydrophobicContact CG2-CG 3.68Å |
| 2775 | M | 81.1 | Confident | 78.2 | Confident | 98.2 Ų | 98.2 | 69.7 Ų | 69.7 | 48% | 0.484 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 178.8 | -67.8 | -174.3 | -61.5 | 0 | 0 | 112.1 | L2771 F2772 S2773 S2778 G2779 | L2771-M2775 HydrophobicContact CG-CE 4.22Å; L2771-M2775 WeakPolarHBondContact O-CG 3.26Å; L2771-M2775 PolarHBondContact O-N 3.04Å; F2772-M2775 HydrophobicContact CD1-CE 3.38Å; F2772-M2775 VanDerWaalsContact CD1-CE 3.4Å; F2772-M2775 HydrophobicContact CE1-CE 3.7Å; F2772-M2775 HydrophobicContact CG-CE 4.1Å; F2772-M2775 PolarHBondContact O-N 3.25Å; S2773-M2775 VanDerWaalsContact C-N 3.32Å; S2773-M2775 PolarHBondContact O-N 3.24Å; M2775-S2778 WeakPolarHBondContact O-CB 3.3Å; M2775-S2778 PolarHBondContact O-N 2.91Å; M2775-S2778 PolarHBondContact O-OG 3.38Å; M2775-S2778 VanDerWaalsContact O-OG 3.06Å; M2775-G2779 PolarHBondContact O-N 3.18Å |
| 2776 | R | 82.6 | Confident | 77.9 | Confident | 99.4 Ų | 99.4 | 66 Ų | 66 | 38% | 0.375 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73 | -37.6 | 173.8 | -73.6 | 177.3 | 178.7 | 170.1 | -9.2 | 113.1 | F2772 S2773 I2774 S2778 G2779 G2780 D2781 H2782 D2784 S2785 | F2772-R2776 WeakPolarHBondContact O-CB 3.37Å; F2772-R2776 VanDerWaalsContact O-CG 3.3Å; F2772-R2776 WeakPolarHBondContact O-CG 3.38Å; F2772-R2776 PolarHBondContact O-N 3.11Å; F2772-R2776 PolarHBondContact O-NH1 2.94Å; F2772-R2776 VanDerWaalsContact O-NH1 3.07Å; S2773-R2776 CarbonylContact O-C 3.4Å; S2773-R2776 WeakPolarHBondContact O-CA 3.37Å; S2773-R2776 PolarHBondContact O-N 3.17Å; I2774-R2776 PolarHBondContact O-N 3.04Å; I2774-R2776 VanDerWaalsContact O-N 3.1Å; R2776-S2778 VanDerWaalsContact C-N 3.28Å; R2776-S2778 PolarHBondContact O-N 3.09Å; R2776-G2779 WeakPolarHBondContact O-CA 3.06Å; R2776-G2779 PolarHBondContact O-N 3.18Å; R2776-G2780 CarbonylContact O-C 3.44Å; R2776-G2780 WeakPolarHBondContact O-CA 3.37Å; R2776-G2780 PolarHBondContact O-N 3.24Å; R2776-D2781 HydrophobicContact CB-CB 4.43Å; R2776-D2781 WeakPolarHBondContact CD-O 3.25Å; R2776-D2781 HydrophobicContact CG-CB 4.32Å; R2776-D2781 WeakPolarHBondContact CG-O 3.45Å; R2776-D2781 PolarHBondContact O-N 3.24Å; R2776-H2782 HydrophobicContact CB-CB 4.45Å; R2776-H2782 VanDerWaalsContact CB-CD2 3.45Å; R2776-H2782 WeakPolarHBondContact CB-CD2 3.35Å; R2776-H2782 WeakPolarHBondContact CB-NE2 3.39Å; R2776-D2784 IonicContact CZ-OD1 3.28Å; R2776-D2784 VanDerWaalsContact CZ-OD1 3.3Å; R2776-D2784 IonicContact CZ-OD2 3.27Å; R2776-D2784 VanDerWaalsContact CZ-OD2 3.24Å; R2776-D2784 IonicContact NE-OD1 3.56Å; R2776-D2784 IonicContact NH1-OD1 3.28Å; R2776-D2784 PolarHBondContact NH1-OD1 3.08Å; R2776-D2784 IonicContact NH1-OD2 3.23Å; R2776-D2784 PolarHBondContact NH1-OD2 3.28Å; R2776-D2784 IonicContact NH2-OD1 3.05Å; R2776-D2784 PolarHBondContact NH2-OD1 3.28Å; R2776-D2784 IonicContact NH2-OD2 3.08Å; R2776-D2784 PolarHBondContact NH2-OD2 3.13Å; R2776-S2785 PolarHBondContact NH1-OG 3.1Å |
| 2777 | T | 75.2 | Confident | 77.8 | Confident | 18.8 Ų | 18.8 | 63.1 Ų | 63.1 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -33.2 | 175.9 | -20.8 | 0 | 0 | 0 | 0 | 111.6 | S2773 I2774 G2779 G2780 H2782 M2954 N2955 | S2773-T2777 VanDerWaalsContact O-CB 3.27Å; S2773-T2777 WeakPolarHBondContact O-CB 3.23Å; S2773-T2777 VanDerWaalsContact O-CG2 3.25Å; S2773-T2777 WeakPolarHBondContact O-CG2 3.37Å; S2773-T2777 PolarHBondContact O-N 3.18Å; S2773-T2777 PolarHBondContact O-OG1 3.18Å; S2773-T2777 VanDerWaalsContact O-OG1 3.1Å; I2774-T2777 WeakPolarHBondContact CA-OG1 3.05Å; I2774-T2777 PolarHBondContact O-N 3.06Å; I2774-T2777 PolarHBondContact O-OG1 3.21Å; T2777-G2779 PolarHBondContact O-N 3.21Å; T2777-G2779 VanDerWaalsContact O-N 3.09Å; T2777-G2780 PolarHBondContact O-N 3.19Å; T2777-H2782 HydrophobicContact CG2-CB 4.24Å; T2777-H2782 VanDerWaalsContact CG2-CD2 3.45Å; T2777-H2782 WeakPolarHBondContact CG2-CD2 3.13Å; T2777-H2782 PolarHBondContact N-CD2 3.13Å; T2777-H2782 PolarHBondContact N-NE2 3.02Å; T2777-H2782 PolarHBondContact OG1-CD2 3.11Å; T2777-H2782 VanDerWaalsContact OG1-CD2 3.3Å; T2777-H2782 PolarHBondContact OG1-NE2 3.29Å; T2777-H2782 VanDerWaalsContact OG1-NE2 3.1Å; T2777-M2954 HydrophobicContact CG2-CB 4.19Å; T2777-M2954 HydrophobicContact CG2-CE 4.33Å; T2777-M2954 WeakPolarHBondContact CG2-O 3.37Å; T2777-M2954 HydrophobicContact CG2-SD 3.88Å; T2777-N2955 WeakPolarHBondContact O-CB 3.25Å |
| 2778 | S | 73.3 | Confident | 77.5 | Confident | 78.2 Ų | 78.2 | 61.4 Ų | 61.4 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.4 | -24.6 | 175.8 | -40 | 0 | 0 | 0 | 0 | 114.2 | I2774 M2775 R2776 N2955 | I2774-S2778 WeakPolarHBondContact O-CB 3.4Å; I2774-S2778 PolarHBondContact O-N 3.09Å; I2774-S2778 VanDerWaalsContact O-N 3.13Å; I2774-S2778 PolarHBondContact O-OG 3.19Å; I2774-S2778 VanDerWaalsContact O-OG 3.08Å; M2775-S2778 WeakPolarHBondContact O-CB 3.3Å; M2775-S2778 PolarHBondContact O-N 2.91Å; M2775-S2778 PolarHBondContact O-OG 3.38Å; M2775-S2778 VanDerWaalsContact O-OG 3.06Å; R2776-S2778 VanDerWaalsContact C-N 3.28Å; R2776-S2778 PolarHBondContact O-N 3.09Å; S2778-N2955 PolarHBondContact O-ND2 3.3Å; S2778-N2955 PolarHBondContact O-OD1 3.12Å |
| 2779 | G | 69.4 | Low | 77.2 | Confident | 47.6 Ų | 47.6 | 59.5 Ų | 59.5 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -91.6 | -19 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | M2775 R2776 T2777 D2781 | M2775-G2779 PolarHBondContact O-N 3.18Å; R2776-G2779 WeakPolarHBondContact O-CA 3.06Å; R2776-G2779 PolarHBondContact O-N 3.18Å; T2777-G2779 PolarHBondContact O-N 3.21Å; T2777-G2779 VanDerWaalsContact O-N 3.09Å; G2779-D2781 VanDerWaalsContact C-N 3.27Å; G2779-D2781 PolarHBondContact O-N 2.9Å; G2779-D2781 VanDerWaalsContact O-N 3.12Å |
| 2780 | G | 72.1 | Confident | 76.9 | Confident | 35.2 Ų | 35.2 | 60.2 Ų | 60.2 | 36% | 0.363 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -4.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F2230 R2776 T2777 H2782 | F2230-G2780 WeakPolarHBondContact CD2-O 3.36Å; F2230-G2780 VanDerWaalsContact CE2-O 3.23Å; F2230-G2780 WeakPolarHBondContact CE2-O 3.39Å; R2776-G2780 CarbonylContact O-C 3.44Å; R2776-G2780 WeakPolarHBondContact O-CA 3.37Å; R2776-G2780 PolarHBondContact O-N 3.24Å; T2777-G2780 PolarHBondContact O-N 3.19Å; G2780-H2782 PolarHBondContact O-N 3.06Å; G2780-H2782 VanDerWaalsContact O-N 3.08Å |
| 2781 | D | 76.1 | Confident | 76.7 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | trans | -74.1 | 24.8 | -170.3 | -62.4 | -50.5 | 0 | 0 | 0 | 115.1 | R2776 G2779 G2783 | R2776-D2781 HydrophobicContact CB-CB 4.43Å; R2776-D2781 WeakPolarHBondContact CD-O 3.25Å; R2776-D2781 HydrophobicContact CG-CB 4.32Å; R2776-D2781 WeakPolarHBondContact CG-O 3.45Å; R2776-D2781 PolarHBondContact O-N 3.24Å; G2779-D2781 VanDerWaalsContact C-N 3.27Å; G2779-D2781 PolarHBondContact O-N 2.9Å; G2779-D2781 VanDerWaalsContact O-N 3.12Å; D2781-G2783 VanDerWaalsContact C-N 3.27Å; D2781-G2783 PolarHBondContact O-N 2.99Å | ||
| 2782 | H | 74 | Confident | 76.4 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | trans | -91.4 | 9.3 | -179.1 | -96.8 | -58.4 | 0 | 0 | 0 | 113.5 | F2230 F2665 S2773 R2776 T2777 G2780 D2784 S2785 P2787 M2954 | F2230-H2782 HydrophobicContact CE2-CB 3.59Å; F2230-H2782 HydrophobicContact CZ-CB 3.74Å; F2665-H2782 HydrophobicContact CE1-CB 4.26Å; F2665-H2782 HydrophobicContact CE2-CB 4.35Å; F2665-H2782 HydrophobicContact CZ-CB 4.03Å; F2665-H2782 VanDerWaalsContact CZ-O 3.28Å; F2665-H2782 WeakPolarHBondContact CZ-O 3.42Å; S2773-H2782 WeakPolarHBondContact CA-NE2 3.34Å; S2773-H2782 PolarHBondContact O-NE2 3.15Å; S2773-H2782 VanDerWaalsContact O-NE2 3.16Å; S2773-H2782 PolarHBondContact OG-CE1 2.98Å; S2773-H2782 VanDerWaalsContact OG-CE1 3.31Å; S2773-H2782 PolarHBondContact OG-NE2 3.13Å; R2776-H2782 HydrophobicContact CB-CB 4.45Å; R2776-H2782 VanDerWaalsContact CB-CD2 3.45Å; R2776-H2782 WeakPolarHBondContact CB-CD2 3.35Å; R2776-H2782 WeakPolarHBondContact CB-NE2 3.39Å; T2777-H2782 HydrophobicContact CG2-CB 4.24Å; T2777-H2782 VanDerWaalsContact CG2-CD2 3.45Å; T2777-H2782 WeakPolarHBondContact CG2-CD2 3.13Å; T2777-H2782 PolarHBondContact N-CD2 3.13Å; T2777-H2782 PolarHBondContact N-NE2 3.02Å; T2777-H2782 PolarHBondContact OG1-CD2 3.11Å; T2777-H2782 VanDerWaalsContact OG1-CD2 3.3Å; T2777-H2782 PolarHBondContact OG1-NE2 3.29Å; T2777-H2782 VanDerWaalsContact OG1-NE2 3.1Å; G2780-H2782 PolarHBondContact O-N 3.06Å; G2780-H2782 VanDerWaalsContact O-N 3.08Å; H2782-D2784 PolarHBondContact O-N 3.08Å; H2782-D2784 VanDerWaalsContact O-N 3.07Å; H2782-S2785 PolarHBondContact ND1-O 3.24Å; H2782-S2785 PolarHBondContact ND1-OG 3.12Å; H2782-S2785 PolarHBondContact O-N 3.1Å; H2782-S2785 PolarHBondContact O-OG 3.28Å; H2782-P2787 VanDerWaalsContact CE1-CA 3.5Å; H2782-P2787 WeakPolarHBondContact CE1-CA 3.44Å; H2782-M2954 HydrophobicContact CB-CE 3.94Å; H2782-M2954 HydrophobicContact CB-CG 4.05Å; H2782-M2954 VanDerWaalsContact CD2-CE 3.4Å; H2782-M2954 WeakPolarHBondContact CD2-CE 3.34Å | ||
| 2783 | G | 67.6 | Low | 76.2 | Confident | 50.4 Ų | 50.4 | 57.2 Ų | 57.2 | 52% | 0.52 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -29.4 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | F2665 W2669 D2781 S2785 | F2665-G2783 WeakPolarHBondContact CZ-O 3.44Å; W2669-G2783 WeakPolarHBondContact CH2-O 3.36Å; W2669-G2783 WeakPolarHBondContact CZ3-O 3.4Å; D2781-G2783 VanDerWaalsContact C-N 3.27Å; D2781-G2783 PolarHBondContact O-N 2.99Å; G2783-S2785 VanDerWaalsContact C-N 3.27Å; G2783-S2785 PolarHBondContact O-N 2.79Å; G2783-S2785 PolarHBondContact O-OG 2.89Å; G2783-S2785 VanDerWaalsContact O-OG 3.07Å |
| 2784 | D | 71.1 | Confident | 76.3 | Confident | 110.2 Ų | 110.2 | 58 Ų | 58 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.9 | 174.3 | 36.1 | -21.8 | 0 | 0 | 0 | 115.4 | S2483 W2669 R2776 H2782 | S2483-D2784 PolarHBondContact OG-OD1 3.03Å; S2483-D2784 PolarHBondContact OG-OD2 2.83Å; W2669-D2784 WeakPolarHBondContact CH2-O 3.5Å; W2669-D2784 VanDerWaalsContact NE1-C 3.35Å; W2669-D2784 PolarHBondContact NE1-O 3.14Å; R2776-D2784 IonicContact CZ-OD1 3.28Å; R2776-D2784 VanDerWaalsContact CZ-OD1 3.3Å; R2776-D2784 IonicContact CZ-OD2 3.27Å; R2776-D2784 VanDerWaalsContact CZ-OD2 3.24Å; R2776-D2784 IonicContact NE-OD1 3.56Å; R2776-D2784 IonicContact NH1-OD1 3.28Å; R2776-D2784 PolarHBondContact NH1-OD1 3.08Å; R2776-D2784 IonicContact NH1-OD2 3.23Å; R2776-D2784 PolarHBondContact NH1-OD2 3.28Å; R2776-D2784 IonicContact NH2-OD1 3.05Å; R2776-D2784 PolarHBondContact NH2-OD1 3.28Å; R2776-D2784 IonicContact NH2-OD2 3.08Å; R2776-D2784 PolarHBondContact NH2-OD2 3.13Å; H2782-D2784 PolarHBondContact O-N 3.08Å; H2782-D2784 VanDerWaalsContact O-N 3.07Å |
| 2785 | S | 76.2 | Confident | 76.7 | Confident | 35.6 Ų | 35.6 | 57.9 Ų | 57.9 | 25% | 0.249 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -140.9 | 125.1 | -165.6 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | F2665 R2776 H2782 G2783 | F2665-S2785 WeakPolarHBondContact CE1-O 3.48Å; R2776-S2785 PolarHBondContact NH1-OG 3.1Å; H2782-S2785 PolarHBondContact ND1-O 3.24Å; H2782-S2785 PolarHBondContact ND1-OG 3.12Å; H2782-S2785 PolarHBondContact O-N 3.1Å; H2782-S2785 PolarHBondContact O-OG 3.28Å; G2783-S2785 VanDerWaalsContact C-N 3.27Å; G2783-S2785 PolarHBondContact O-N 2.79Å; G2783-S2785 PolarHBondContact O-OG 2.89Å; G2783-S2785 VanDerWaalsContact O-OG 3.07Å |
| 2786 | V | 76.2 | Confident | 77.1 | Confident | 52.4 Ų | 52.4 | 54.2 Ų | 54.2 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | trans | -81.4 | 135.8 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | S2666 W2669 Y2770 F2788 | S2666-V2786 WeakPolarHBondContact OG-CG1 3.4Å; W2669-V2786 HydrophobicContact CB-CG2 4.18Å; W2669-V2786 HydrophobicContact CD2-CG2 3.93Å; W2669-V2786 HydrophobicContact CE3-CG2 3.39Å; W2669-V2786 HydrophobicContact CG-CG2 3.62Å; W2669-V2786 HydrophobicContact CH2-CG2 4.4Å; W2669-V2786 HydrophobicContact CZ2-CG2 4.39Å; W2669-V2786 HydrophobicContact CZ3-CG2 3.93Å; Y2770-V2786 HydrophobicContact CD2-CG1 3.89Å; Y2770-V2786 HydrophobicContact CE2-CG1 3.41Å; Y2770-V2786 VanDerWaalsContact CE2-CG1 3.41Å; V2786-F2788 PolarHBondContact O-N 3.38Å; V2786-F2788 VanDerWaalsContact O-N 3.13Å | ||
| 2787 | P | 76.8 | Confident | 77.5 | Confident | 11.4 Ų | 11.4 | 49.6 Ų | 49.6 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | trans | -60.5 | 141.1 | 172.7 | -4.8 | 7.4 | 0 | 0 | 0 | 112.8 | Q2662 F2665 S2666 W2669 Y2770 S2773 H2782 I2789 M2954 | Q2662-P2787 HydrophobicContact CB-CB 4.31Å; Q2662-P2787 HydrophobicContact CB-CG 4.15Å; Q2662-P2787 HydrophobicContact CG-CB 4.16Å; Q2662-P2787 HydrophobicContact CG-CG 4.26Å; F2665-P2787 VanDerWaalsContact CD1-CD 3.42Å; F2665-P2787 HydrophobicContact CD1-CG 4.17Å; S2666-P2787 WeakPolarHBondContact OG-CB 3.41Å; W2669-P2787 HydrophobicContact CB-CG 4.33Å; W2669-P2787 HydrophobicContact CG-CG 3.99Å; Y2770-P2787 PolarHBondContact OH-O 3.46Å; S2773-P2787 WeakPolarHBondContact OG-CA 3.33Å; H2782-P2787 VanDerWaalsContact CE1-CA 3.5Å; H2782-P2787 WeakPolarHBondContact CE1-CA 3.44Å; P2787-I2789 HydrophobicContact CB-CG1 4.44Å; P2787-I2789 PolarHBondContact O-N 3.01Å; P2787-M2954 HydrophobicContact CB-CE 3.55Å; P2787-M2954 HydrophobicContact CG-CE 3.79Å; P2787-M2954 HydrophobicContact CG-SD 4.03Å | ||
| 2788 | F | 75.3 | Confident | 78.2 | Confident | 75.8 Ų | 75.8 | 49.3 Ų | 49.3 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | trans | -80.8 | 108.3 | 179.5 | -174.6 | -89.4 | 0 | 0 | 0 | 111 | Y2721 Y2770 S2773 V2786 D2790 | Y2721-F2788 HydrophobicContact CE1-CD2 4.19Å; Y2721-F2788 AromaticContact CE1-CE2 3.82Å; Y2721-F2788 HydrophobicContact CE1-CE2 4.23Å; Y2721-F2788 HydrophobicContact CE1-CZ 4.49Å; Y2721-F2788 WeakPolarHBondContact OH-CD2 3.47Å; Y2770-F2788 HydrophobicContact CD2-CB 4.35Å; Y2770-F2788 AromaticContact CD2-CD1 3.74Å; Y2770-F2788 HydrophobicContact CD2-CD1 3.74Å; Y2770-F2788 HydrophobicContact CD2-CE1 4.36Å; Y2770-F2788 AromaticContact CD2-CG 3.97Å; Y2770-F2788 HydrophobicContact CD2-CG 4.27Å; Y2770-F2788 HydrophobicContact CE2-CD1 4.4Å; Y2770-F2788 HydrophobicContact CG-CD1 4.41Å; S2773-F2788 PolarHBondContact OG-N 3.21Å; S2773-F2788 VanDerWaalsContact OG-N 3.09Å; V2786-F2788 PolarHBondContact O-N 3.38Å; V2786-F2788 VanDerWaalsContact O-N 3.13Å; F2788-D2790 HydrophobicContact CD1-CB 4.26Å; F2788-D2790 HydrophobicContact CE1-CB 4.02Å; F2788-D2790 HydrophobicContact CZ-CB 3.78Å | ||
| 2789 | I | 78.1 | Confident | 79 | Confident | 26.8 Ų | 26.8 | 46.8 Ų | 46.8 | 14% | 0.137 | 28% | 0.279 | C | S | . | . | trans | -111.7 | 108 | 175.1 | -50.1 | 175.2 | 0 | 0 | 0 | 108.8 | L2659 Q2662 L2663 Y2770 I2774 P2787 P2791 F3018 | L2659-I2789 HydrophobicContact CD1-CG2 3.95Å; Q2662-I2789 HydrophobicContact CB-CD1 3.77Å; Q2662-I2789 HydrophobicContact CB-CG1 4.26Å; L2663-I2789 HydrophobicContact CB-CD1 4.47Å; L2663-I2789 HydrophobicContact CD2-CD1 3.72Å; L2663-I2789 HydrophobicContact CG-CD1 3.99Å; Y2770-I2789 HydrophobicContact CE1-CD1 4.45Å; Y2770-I2789 WeakPolarHBondContact OH-CD1 3.43Å; I2774-I2789 WeakPolarHBondContact CG2-O 3.35Å; P2787-I2789 HydrophobicContact CB-CG1 4.44Å; P2787-I2789 PolarHBondContact O-N 3.01Å; I2789-P2791 VanDerWaalsContact O-CD 3.27Å; I2789-P2791 WeakPolarHBondContact O-CD 3.47Å; I2789-F3018 HydrophobicContact CG2-CE1 4.38Å; I2789-F3018 HydrophobicContact CG2-CZ 3.89Å | ||
| 2790 | D | 78.2 | Confident | 80 | Confident | 58.6 Ų | 58.6 | 44.8 Ų | 44.8 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | trans | -84 | 122.3 | 168 | -179.3 | 4 | 0 | 0 | 0 | 109.8 | F2788 Q2792 V2793 N2794 | F2788-D2790 HydrophobicContact CD1-CB 4.26Å; F2788-D2790 HydrophobicContact CE1-CB 4.02Å; F2788-D2790 HydrophobicContact CZ-CB 3.78Å; D2790-Q2792 VanDerWaalsContact C-N 3.34Å; D2790-Q2792 PolarHBondContact O-N 3.17Å; D2790-Q2792 WeakPolarHBondContact OD1-CB 3.41Å; D2790-Q2792 WeakPolarHBondContact OD1-CG 3.34Å; D2790-Q2792 PolarHBondContact OD1-N 3.12Å; D2790-V2793 HydrophobicContact CB-CB 4.44Å; D2790-V2793 HydrophobicContact CB-CG2 4.07Å; D2790-V2793 PolarHBondContact O-N 3.49Å; D2790-N2794 PolarHBondContact O-ND2 3.09Å; D2790-N2794 VanDerWaalsContact O-ND2 3.08Å | ||
| 2791 | P | 77.7 | Confident | 80.9 | Confident | 30.4 Ų | 30.4 | 43.2 Ų | 43.2 | 20% | 0.197 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -43.5 | 169.5 | -24.1 | 33.4 | 0 | 0 | 0 | 112.9 | I2774 I2789 V2793 N2794 F3018 H3022 F3023 | I2774-P2791 HydrophobicContact CG2-CG 3.68Å; I2789-P2791 VanDerWaalsContact O-CD 3.27Å; I2789-P2791 WeakPolarHBondContact O-CD 3.47Å; P2791-V2793 VanDerWaalsContact C-N 3.34Å; P2791-V2793 PolarHBondContact O-N 3.37Å; P2791-N2794 PolarHBondContact O-N 2.98Å; P2791-F3018 HydrophobicContact CB-CE1 4.42Å; P2791-F3018 HydrophobicContact CB-CE2 4.5Å; P2791-F3018 HydrophobicContact CB-CZ 3.89Å; P2791-F3018 HydrophobicContact CG-CE2 4.06Å; P2791-F3018 HydrophobicContact CG-CZ 3.76Å; P2791-H3022 HydrophobicContact CB-CB 4.3Å; P2791-F3023 VanDerWaalsContact O-CZ 3.23Å; P2791-F3023 WeakPolarHBondContact O-CZ 3.35Å |
| 2792 | Q | 77.6 | Confident | 81.6 | Confident | 105.6 Ų | 105.6 | 37.6 Ų | 37.6 | 49% | 0.493 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -66.1 | -35.5 | -168.3 | -62.1 | -72.3 | -24.6 | 0 | 0 | 113.5 | D2790 N2794 K2795 | D2790-Q2792 VanDerWaalsContact C-N 3.34Å; D2790-Q2792 PolarHBondContact O-N 3.17Å; D2790-Q2792 WeakPolarHBondContact OD1-CB 3.41Å; D2790-Q2792 WeakPolarHBondContact OD1-CG 3.34Å; D2790-Q2792 PolarHBondContact OD1-N 3.12Å; Q2792-N2794 VanDerWaalsContact C-N 3.26Å; Q2792-N2794 PolarHBondContact O-N 3.18Å; Q2792-K2795 HydrophobicContact CB-CD 4.17Å; Q2792-K2795 VanDerWaalsContact O-CB 3.29Å; Q2792-K2795 WeakPolarHBondContact O-CB 3.33Å; Q2792-K2795 WeakPolarHBondContact O-CD 3.38Å; Q2792-K2795 VanDerWaalsContact O-CG 3.23Å; Q2792-K2795 WeakPolarHBondContact O-CG 3.23Å; Q2792-K2795 PolarHBondContact O-N 3.2Å |
| 2793 | V | 79.6 | Confident | 82.4 | Confident | 57.4 Ų | 57.4 | 37.2 Ų | 37.2 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -57.5 | -39.5 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 111 | M2498 D2790 P2791 K2795 H2796 | M2498-V2793 HydrophobicContact CE-CG1 4.25Å; M2498-V2793 HydrophobicContact SD-CB 4.45Å; M2498-V2793 HydrophobicContact SD-CG1 4.03Å; D2790-V2793 HydrophobicContact CB-CB 4.44Å; D2790-V2793 HydrophobicContact CB-CG2 4.07Å; D2790-V2793 PolarHBondContact O-N 3.49Å; P2791-V2793 VanDerWaalsContact C-N 3.34Å; P2791-V2793 PolarHBondContact O-N 3.37Å; V2793-K2795 VanDerWaalsContact C-N 3.3Å; V2793-K2795 PolarHBondContact O-N 3.09Å; V2793-H2796 PolarHBondContact O-CE1 3.11Å; V2793-H2796 PolarHBondContact O-ND1 3.09Å |
| 2794 | N | 84 | Confident | 83.4 | Confident | 31.4 Ų | 31.4 | 35.1 Ų | 35.1 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -80.5 | 3 | -175.1 | -66.4 | -69.9 | 0 | 0 | 0 | 114.5 | L2659 D2790 P2791 Q2792 H2796 L2797 A2798 F3019 | L2659-N2794 HydrophobicContact CD2-CB 4.47Å; D2790-N2794 PolarHBondContact O-ND2 3.09Å; D2790-N2794 VanDerWaalsContact O-ND2 3.08Å; P2791-N2794 PolarHBondContact O-N 2.98Å; Q2792-N2794 VanDerWaalsContact C-N 3.26Å; Q2792-N2794 PolarHBondContact O-N 3.18Å; N2794-H2796 VanDerWaalsContact C-N 3.27Å; N2794-H2796 PolarHBondContact O-N 3.12Å; N2794-L2797 WeakPolarHBondContact O-CB 3.29Å; N2794-L2797 PolarHBondContact O-N 3.19Å; N2794-L2797 VanDerWaalsContact O-N 3.12Å; N2794-A2798 PolarHBondContact O-N 3.18Å; N2794-F3019 HydrophobicContact CB-CE1 3.93Å; N2794-F3019 HydrophobicContact CB-CZ 4.44Å |
| 2795 | K | 88.7 | Confident | 84.2 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 22% | 0.222 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -34.8 | -178.9 | -156.8 | 169.5 | -175.8 | 169.1 | 0 | 113.8 | V2502 Q2792 V2793 L2797 A2798 Y2799 F3023 D3026 | V2502-K2795 HydrophobicContact CG1-CD 4.37Å; V2502-K2795 HydrophobicContact CG1-CG 4.35Å; V2502-K2795 HydrophobicContact CG2-CB 4.07Å; V2502-K2795 HydrophobicContact CG2-CD 4.48Å; V2502-K2795 HydrophobicContact CG2-CG 4.33Å; Q2792-K2795 HydrophobicContact CB-CD 4.17Å; Q2792-K2795 VanDerWaalsContact O-CB 3.29Å; Q2792-K2795 WeakPolarHBondContact O-CB 3.33Å; Q2792-K2795 WeakPolarHBondContact O-CD 3.38Å; Q2792-K2795 VanDerWaalsContact O-CG 3.23Å; Q2792-K2795 WeakPolarHBondContact O-CG 3.23Å; Q2792-K2795 PolarHBondContact O-N 3.2Å; V2793-K2795 VanDerWaalsContact C-N 3.3Å; V2793-K2795 PolarHBondContact O-N 3.09Å; K2795-L2797 VanDerWaalsContact C-N 3.33Å; K2795-L2797 PolarHBondContact O-N 3.11Å; K2795-A2798 PolarHBondContact O-N 2.94Å; K2795-Y2799 HydrophobicContact CG-CE2 4.3Å; K2795-Y2799 WeakPolarHBondContact O-CD2 3.41Å; K2795-Y2799 PolarHBondContact O-N 3.29Å; K2795-F3023 HydrophobicContact CB-CD1 4.45Å; K2795-F3023 HydrophobicContact CB-CE1 3.69Å; K2795-F3023 HydrophobicContact CB-CE2 4.31Å; K2795-F3023 HydrophobicContact CB-CZ 3.54Å; K2795-F3023 HydrophobicContact CD-CD1 4.39Å; K2795-F3023 HydrophobicContact CD-CE1 4.02Å; K2795-F3023 HydrophobicContact CG-CD1 4.15Å; K2795-F3023 HydrophobicContact CG-CE1 3.74Å; K2795-F3023 HydrophobicContact CG-CZ 4.05Å; K2795-D3026 WeakPolarHBondContact CE-OD2 3.2Å; K2795-D3026 IonicContact NZ-OD1 2.75Å; K2795-D3026 PolarHBondContact NZ-OD1 3.36Å; K2795-D3026 IonicContact NZ-OD2 3.34Å; K2795-D3026 PolarHBondContact NZ-OD2 3.27Å |
| 2796 | H | 89.4 | Confident | 84.8 | Confident | 20.2 Ų | 20.2 | 30.9 Ų | 30.9 | 9% | 0.094 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 179.1 | 68.7 | -91.8 | 0 | 0 | 0 | 112.1 | Q2501 V2502 C2505 W2651 V2793 N2794 Y2799 I2800 | Q2501-H2796 HydrophobicContact CB-CB 3.87Å; Q2501-H2796 HydrophobicContact CG-CB 4.19Å; Q2501-H2796 PolarHBondContact NE2-CD2 2.8Å; Q2501-H2796 VanDerWaalsContact NE2-CD2 3.28Å; Q2501-H2796 PolarHBondContact NE2-CE1 3.31Å; Q2501-H2796 PolarHBondContact NE2-ND1 3.27Å; Q2501-H2796 PolarHBondContact NE2-NE2 3.08Å; Q2501-H2796 PolarHBondContact OE1-ND1 3.34Å; V2502-H2796 HydrophobicContact CG2-CB 3.97Å; C2505-H2796 HydrophobicContact CB-CB 4.09Å; C2505-H2796 VanDerWaalsContact CB-O 3.32Å; C2505-H2796 WeakPolarHBondContact CB-O 3.23Å; C2505-H2796 PolarHBondContact SG-O 3.43Å; C2505-H2796 VanDerWaalsContact SG-O 3.37Å; W2651-H2796 AromaticContact CH2-CD2 3.97Å; W2651-H2796 AromaticContact CZ2-NE2 3.99Å; V2793-H2796 PolarHBondContact O-CE1 3.11Å; V2793-H2796 PolarHBondContact O-ND1 3.09Å; N2794-H2796 VanDerWaalsContact C-N 3.27Å; N2794-H2796 PolarHBondContact O-N 3.12Å; H2796-Y2799 PolarHBondContact O-N 2.91Å; H2796-I2800 PolarHBondContact O-N 3.21Å |
| 2797 | L | 90.4 | Very high | 85.4 | Confident | 4.2 Ų | 4.2 | 28.9 Ų | 28.9 | 2% | 0.022 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -42 | 178.2 | -172.9 | 58.8 | 0 | 0 | 0 | 111.1 | W2651 I2652 A2655 M2656 L2659 N2794 K2795 Y2799 I2800 L2801 F3019 | W2651-L2797 HydrophobicContact CH2-CD1 4.24Å; W2651-L2797 HydrophobicContact CZ3-CD1 4.28Å; I2652-L2797 HydrophobicContact CB-CD1 4.44Å; I2652-L2797 HydrophobicContact CD1-CD1 4.05Å; I2652-L2797 HydrophobicContact CD1-CG 4.27Å; I2652-L2797 HydrophobicContact CG1-CD1 3.52Å; I2652-L2797 VanDerWaalsContact CG1-CD1 3.43Å; I2652-L2797 HydrophobicContact CG1-CG 4.26Å; A2655-L2797 HydrophobicContact CB-CD1 4.01Å; A2655-L2797 HydrophobicContact CB-CD2 4.09Å; M2656-L2797 HydrophobicContact CG-CD1 4.12Å; M2656-L2797 HydrophobicContact CG-CD2 4.4Å; M2656-L2797 HydrophobicContact CG-CG 4.43Å; M2656-L2797 HydrophobicContact SD-CD1 3.98Å; M2656-L2797 HydrophobicContact SD-CD2 3.67Å; M2656-L2797 HydrophobicContact SD-CG 3.65Å; L2659-L2797 HydrophobicContact CD2-CD2 4.16Å; N2794-L2797 WeakPolarHBondContact O-CB 3.29Å; N2794-L2797 PolarHBondContact O-N 3.19Å; N2794-L2797 VanDerWaalsContact O-N 3.12Å; K2795-L2797 VanDerWaalsContact C-N 3.33Å; K2795-L2797 PolarHBondContact O-N 3.11Å; L2797-Y2799 VanDerWaalsContact C-N 3.35Å; L2797-Y2799 PolarHBondContact O-N 3.18Å; L2797-I2800 PolarHBondContact O-N 3.11Å; L2797-L2801 WeakPolarHBondContact O-CB 3.36Å; L2797-L2801 PolarHBondContact O-N 2.98Å; L2797-F3019 HydrophobicContact CB-CZ 4.34Å; L2797-F3019 HydrophobicContact CD2-CZ 4.16Å; L2797-F3019 HydrophobicContact CG-CE2 4.45Å; L2797-F3019 HydrophobicContact CG-CZ 4.11Å |
| 2798 | A | 89.9 | Confident | 85.9 | Confident | 11.4 Ų | 11.4 | 28.4 Ų | 28.4 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N2794 K2795 I2800 D2802 F3019 F3023 V3027 I3035 | N2794-A2798 PolarHBondContact O-N 3.18Å; K2795-A2798 PolarHBondContact O-N 2.94Å; A2798-I2800 PolarHBondContact O-N 3.16Å; A2798-D2802 WeakPolarHBondContact O-CB 3.34Å; A2798-D2802 PolarHBondContact O-N 3.26Å; A2798-D2802 VanDerWaalsContact O-N 3.1Å; A2798-F3019 HydrophobicContact CB-CB 4.33Å; A2798-F3019 HydrophobicContact CB-CD1 4.09Å; A2798-F3019 HydrophobicContact CB-CD2 3.8Å; A2798-F3019 HydrophobicContact CB-CE1 4.34Å; A2798-F3019 HydrophobicContact CB-CE2 4.05Å; A2798-F3019 HydrophobicContact CB-CG 3.82Å; A2798-F3019 HydrophobicContact CB-CZ 4.32Å; A2798-F3023 HydrophobicContact CB-CD2 3.61Å; A2798-F3023 HydrophobicContact CB-CE2 3.98Å; A2798-F3023 HydrophobicContact CB-CG 4.44Å; A2798-V3027 HydrophobicContact CB-CG2 4.29Å; A2798-I3035 HydrophobicContact CB-CD1 3.99Å |
| 2799 | Y | 90.4 | Very high | 86.3 | Confident | 26.4 Ų | 26.4 | 28 Ų | 28 | 10% | 0.104 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.5 | -87.2 | -70.8 | 0 | 0 | 0 | 113.1 | V2502 R2506 A2509 K2795 H2796 L2797 A2803 V3027 E3030 | V2502-Y2799 HydrophobicContact CG1-CD2 4.22Å; V2502-Y2799 HydrophobicContact CG1-CE2 3.85Å; R2506-Y2799 HydrophobicContact CB-CD1 4.18Å; R2506-Y2799 HydrophobicContact CB-CD2 4.46Å; R2506-Y2799 HydrophobicContact CB-CE1 4.2Å; R2506-Y2799 HydrophobicContact CB-CE2 4.48Å; R2506-Y2799 HydrophobicContact CB-CG 4.31Å; R2506-Y2799 HydrophobicContact CG-CD1 4.1Å; R2506-Y2799 HydrophobicContact CG-CE1 3.78Å; R2506-Y2799 PolarHBondContact NH1-OH 3.02Å; A2509-Y2799 VanDerWaalsContact CB-O 3.25Å; A2509-Y2799 WeakPolarHBondContact CB-O 3.39Å; K2795-Y2799 HydrophobicContact CG-CE2 4.3Å; K2795-Y2799 WeakPolarHBondContact O-CD2 3.41Å; K2795-Y2799 PolarHBondContact O-N 3.29Å; H2796-Y2799 PolarHBondContact O-N 2.91Å; L2797-Y2799 VanDerWaalsContact C-N 3.35Å; L2797-Y2799 PolarHBondContact O-N 3.18Å; Y2799-A2803 PolarHBondContact O-N 3.19Å; Y2799-V3027 HydrophobicContact CD1-CG1 4.06Å; Y2799-V3027 HydrophobicContact CD1-CG2 4.06Å; Y2799-V3027 HydrophobicContact CD2-CG2 3.9Å; Y2799-V3027 HydrophobicContact CE1-CB 4.45Å; Y2799-V3027 HydrophobicContact CE1-CG1 4.39Å; Y2799-V3027 HydrophobicContact CE1-CG2 3.98Å; Y2799-V3027 HydrophobicContact CE2-CG2 3.82Å; Y2799-V3027 HydrophobicContact CG-CG1 4.43Å; Y2799-V3027 HydrophobicContact CG-CG2 4.03Å; Y2799-E3030 HydrophobicContact CE1-CG 4.15Å |
| 2800 | I | 91.4 | Very high | 86.6 | Confident | 6.2 Ų | 6.2 | 27.6 Ų | 27.6 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.9 | -42.9 | -179.4 | -59.3 | 176.1 | 0 | 0 | 0 | 110.2 | C2505 F2508 V2648 W2651 I2652 H2796 L2797 A2798 D2802 A2803 L2804 | C2505-I2800 HydrophobicContact CB-CD1 4.03Å; C2505-I2800 HydrophobicContact CB-CG1 3.96Å; C2505-I2800 VanDerWaalsContact SG-CD1 3.51Å; F2508-I2800 HydrophobicContact CD1-CB 4.46Å; F2508-I2800 HydrophobicContact CD1-CD1 4.37Å; F2508-I2800 HydrophobicContact CD1-CG1 4.19Å; F2508-I2800 HydrophobicContact CD1-CG2 4.3Å; F2508-I2800 HydrophobicContact CE1-CB 4.3Å; F2508-I2800 HydrophobicContact CE1-CG1 4.29Å; F2508-I2800 HydrophobicContact CE1-CG2 4Å; F2508-I2800 HydrophobicContact CZ-CG2 4.44Å; V2648-I2800 HydrophobicContact CG1-CG2 4.38Å; W2651-I2800 HydrophobicContact CH2-CD1 4.09Å; W2651-I2800 HydrophobicContact CZ3-CD1 3.72Å; I2652-I2800 HydrophobicContact CD1-CB 4.17Å; I2652-I2800 HydrophobicContact CD1-CG2 3.84Å; H2796-I2800 PolarHBondContact O-N 3.21Å; L2797-I2800 PolarHBondContact O-N 3.11Å; A2798-I2800 PolarHBondContact O-N 3.16Å; I2800-D2802 PolarHBondContact O-N 3.02Å; I2800-A2803 PolarHBondContact O-N 3.07Å; I2800-L2804 HydrophobicContact CG2-CD1 3.86Å; I2800-L2804 HydrophobicContact CG2-CG 4.25Å; I2800-L2804 WeakPolarHBondContact O-CB 3.3Å; I2800-L2804 WeakPolarHBondContact O-CG 3.37Å; I2800-L2804 PolarHBondContact O-N 3.11Å |
| 2801 | L | 91 | Very high | 86.9 | Confident | 1.8 Ų | 1.8 | 25.2 Ų | 25.2 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 177.6 | -178.7 | 63.4 | 0 | 0 | 0 | 112 | I2652 M2656 L2797 A2803 L2804 L2805 W3012 L3016 F3019 | I2652-L2801 HydrophobicContact CD1-CB 4.12Å; I2652-L2801 HydrophobicContact CD1-CD1 4.43Å; M2656-L2801 HydrophobicContact CE-CD2 3.5Å; M2656-L2801 VanDerWaalsContact CE-CD2 3.49Å; M2656-L2801 HydrophobicContact SD-CD2 3.86Å; L2797-L2801 WeakPolarHBondContact O-CB 3.36Å; L2797-L2801 PolarHBondContact O-N 2.98Å; L2801-A2803 VanDerWaalsContact C-N 3.31Å; L2801-A2803 PolarHBondContact O-N 3.13Å; L2801-L2804 PolarHBondContact O-N 3.15Å; L2801-L2805 HydrophobicContact CD1-CD1 4.31Å; L2801-L2805 HydrophobicContact CD1-CG 4.32Å; L2801-L2805 HydrophobicContact CG-CD1 4.06Å; L2801-L2805 HydrophobicContact CG-CG 4.43Å; L2801-L2805 WeakPolarHBondContact O-CB 3.43Å; L2801-L2805 WeakPolarHBondContact O-CG 3.39Å; L2801-L2805 PolarHBondContact O-N 3Å; L2801-W3012 HydrophobicContact CD1-CE3 3.79Å; L2801-W3012 HydrophobicContact CD1-CZ3 3.73Å; L2801-L3016 HydrophobicContact CD2-CD2 3.56Å; L2801-L3016 HydrophobicContact CD2-CG 4.19Å; L2801-L3016 HydrophobicContact CG-CD2 4.34Å; L2801-F3019 HydrophobicContact CD2-CD2 4.06Å; L2801-F3019 HydrophobicContact CD2-CE2 3.89Å |
| 2802 | D | 90.3 | Very high | 87.1 | Confident | 2.2 Ų | 2.2 | 26.5 Ų | 26.5 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 179.9 | -169 | 74.4 | 0 | 0 | 0 | 112.2 | R2513 A2798 I2800 L2805 Y2806 V3027 S3033 Y3034 I3035 | R2513-D2802 IonicContact CZ-OD2 2.85Å; R2513-D2802 IonicContact NE-OD2 3.3Å; R2513-D2802 IonicContact NH2-OD2 2.68Å; R2513-D2802 PolarHBondContact NH2-OD2 3.21Å; A2798-D2802 WeakPolarHBondContact O-CB 3.34Å; A2798-D2802 PolarHBondContact O-N 3.26Å; A2798-D2802 VanDerWaalsContact O-N 3.1Å; I2800-D2802 PolarHBondContact O-N 3.02Å; D2802-L2805 PolarHBondContact O-N 3.37Å; D2802-Y2806 WeakPolarHBondContact O-CB 3.47Å; D2802-Y2806 PolarHBondContact O-N 3.02Å; D2802-Y2806 VanDerWaalsContact O-N 3.09Å; D2802-V3027 HydrophobicContact CB-CG1 4Å; D2802-S3033 VanDerWaalsContact CG-OG 3.3Å; D2802-S3033 VanDerWaalsContact OD1-CA 3.26Å; D2802-S3033 WeakPolarHBondContact OD1-CA 3.26Å; D2802-S3033 WeakPolarHBondContact OD1-CB 3.33Å; D2802-S3033 PolarHBondContact OD1-OG 2.97Å; D2802-S3033 VanDerWaalsContact OD2-CA 3.28Å; D2802-S3033 WeakPolarHBondContact OD2-CA 3.43Å; D2802-S3033 WeakPolarHBondContact OD2-CB 3.41Å; D2802-S3033 PolarHBondContact OD2-OG 3.26Å; D2802-Y3034 WeakPolarHBondContact OD1-CA 3.28Å; D2802-Y3034 WeakPolarHBondContact OD1-CB 3.36Å; D2802-Y3034 PolarHBondContact OD1-N 3.17Å; D2802-I3035 HydrophobicContact CB-CD1 3.91Å; D2802-I3035 HydrophobicContact CB-CG1 4.31Å; D2802-I3035 PolarHBondContact OD1-N 3.06Å; D2802-I3035 VanDerWaalsContact OD1-N 3.11Å |
| 2803 | A | 89.9 | Confident | 87.3 | Confident | 11.8 Ų | 11.8 | 25 Ų | 25 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.2 | -33.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2509 L2512 R2513 Y2799 I2800 L2801 F2807 | A2509-A2803 HydrophobicContact CB-CB 3.68Å; A2509-A2803 WeakPolarHBondContact O-CB 3.39Å; L2512-A2803 HydrophobicContact CB-CB 4.02Å; L2512-A2803 HydrophobicContact CD1-CB 3.98Å; R2513-A2803 HydrophobicContact CG-CB 4.3Å; Y2799-A2803 PolarHBondContact O-N 3.19Å; I2800-A2803 PolarHBondContact O-N 3.07Å; L2801-A2803 VanDerWaalsContact C-N 3.31Å; L2801-A2803 PolarHBondContact O-N 3.13Å; A2803-F2807 VanDerWaalsContact O-CB 3.29Å; A2803-F2807 WeakPolarHBondContact O-CB 3.32Å; A2803-F2807 PolarHBondContact O-N 3Å |
| 2804 | L | 89.8 | Confident | 87.2 | Confident | 5.8 Ų | 5.8 | 22.6 Ų | 22.6 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.9 | -42.3 | 172.8 | -76.6 | 172.1 | 0 | 0 | 0 | 111.6 | L2512 L2645 W2649 I2652 I2800 L2801 Y2806 F2807 F2808 | L2512-L2804 HydrophobicContact CD1-CD2 3.85Å; L2512-L2804 HydrophobicContact CD1-CG 3.94Å; L2645-L2804 HydrophobicContact CD2-CD2 4.35Å; W2649-L2804 HydrophobicContact CE3-CD1 4.26Å; W2649-L2804 HydrophobicContact CZ3-CD1 4.18Å; I2652-L2804 HydrophobicContact CD1-CD1 3.71Å; I2652-L2804 HydrophobicContact CG2-CD1 4.02Å; I2800-L2804 HydrophobicContact CG2-CD1 3.86Å; I2800-L2804 HydrophobicContact CG2-CG 4.25Å; I2800-L2804 WeakPolarHBondContact O-CB 3.3Å; I2800-L2804 WeakPolarHBondContact O-CG 3.37Å; I2800-L2804 PolarHBondContact O-N 3.11Å; L2801-L2804 PolarHBondContact O-N 3.15Å; L2804-Y2806 VanDerWaalsContact C-N 3.32Å; L2804-Y2806 PolarHBondContact O-N 3.21Å; L2804-F2807 WeakPolarHBondContact O-CB 3.13Å; L2804-F2807 PolarHBondContact O-N 3.06Å; L2804-F2807 VanDerWaalsContact O-N 3.15Å; L2804-F2808 HydrophobicContact CB-CD2 4.37Å; L2804-F2808 HydrophobicContact CB-CE2 4Å; L2804-F2808 HydrophobicContact CD2-CE2 4.3Å; L2804-F2808 HydrophobicContact CD2-CZ 4.37Å; L2804-F2808 WeakPolarHBondContact O-CD2 3.45Å; L2804-F2808 WeakPolarHBondContact O-CG 3.41Å; L2804-F2808 PolarHBondContact O-N 3.12Å |
| 2805 | L | 88.1 | Confident | 86.9 | Confident | 0.8 Ų | 0.8 | 22.2 Ų | 22.2 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.2 | -71.3 | 170.4 | 0 | 0 | 0 | 111.6 | L2801 D2802 F2808 R2809 L3008 L3009 L3016 Y3034 | L2801-L2805 HydrophobicContact CD1-CD1 4.31Å; L2801-L2805 HydrophobicContact CD1-CG 4.32Å; L2801-L2805 HydrophobicContact CG-CD1 4.06Å; L2801-L2805 HydrophobicContact CG-CG 4.43Å; L2801-L2805 WeakPolarHBondContact O-CB 3.43Å; L2801-L2805 WeakPolarHBondContact O-CG 3.39Å; L2801-L2805 PolarHBondContact O-N 3Å; D2802-L2805 PolarHBondContact O-N 3.37Å; L2805-F2808 PolarHBondContact O-N 3.44Å; L2805-R2809 WeakPolarHBondContact O-CB 3.42Å; L2805-R2809 PolarHBondContact O-N 3.04Å; L2805-L3008 HydrophobicContact CD2-CB 4.15Å; L2805-L3008 HydrophobicContact CD2-CD1 4.1Å; L2805-L3009 HydrophobicContact CD1-CD2 3.87Å; L2805-L3009 HydrophobicContact CD2-CD1 4.5Å; L2805-L3009 HydrophobicContact CD2-CD2 3.95Å; L2805-L3009 HydrophobicContact CD2-CG 4.12Å; L2805-L3016 HydrophobicContact CD1-CD2 4Å; L2805-Y3034 VanDerWaalsContact C-CE2 3.47Å; L2805-Y3034 HydrophobicContact CB-CD1 4.2Å; L2805-Y3034 HydrophobicContact CB-CD2 3.61Å; L2805-Y3034 VanDerWaalsContact CB-CD2 3.5Å; L2805-Y3034 HydrophobicContact CB-CE1 4.1Å; L2805-Y3034 HydrophobicContact CB-CE2 3.78Å; L2805-Y3034 HydrophobicContact CB-CG 4.07Å; L2805-Y3034 HydrophobicContact CD1-CD1 4.38Å; L2805-Y3034 HydrophobicContact CD1-CG 4.22Å; L2805-Y3034 WeakPolarHBondContact O-CE2 3.33Å; L2805-Y3034 PolarHBondContact O-OH 2.58Å |
| 2806 | Y | 88.2 | Confident | 86.1 | Confident | 57.8 Ų | 57.8 | 24.6 Ų | 24.6 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 171 | -177.8 | -93.7 | 0 | 0 | 0 | 111.7 | R2513 A2516 D2517 D2802 L2804 F2808 R2809 V2810 | R2513-Y2806 HydrophobicContact CB-CD1 4.01Å; R2513-Y2806 HydrophobicContact CB-CE1 4.01Å; R2513-Y2806 HydrophobicContact CG-CD1 3.67Å; R2513-Y2806 HydrophobicContact CG-CE1 4.14Å; R2513-Y2806 HydrophobicContact CG-CG 4.16Å; A2516-Y2806 HydrophobicContact CB-CD1 3.86Å; A2516-Y2806 HydrophobicContact CB-CE1 3.79Å; D2517-Y2806 WeakPolarHBondContact OD1-CE1 3.4Å; D2517-Y2806 PolarHBondContact OD1-OH 3.14Å; D2802-Y2806 WeakPolarHBondContact O-CB 3.47Å; D2802-Y2806 PolarHBondContact O-N 3.02Å; D2802-Y2806 VanDerWaalsContact O-N 3.09Å; L2804-Y2806 VanDerWaalsContact C-N 3.32Å; L2804-Y2806 PolarHBondContact O-N 3.21Å; Y2806-F2808 PolarHBondContact O-N 3.02Å; Y2806-R2809 WeakPolarHBondContact O-CB 3.37Å; Y2806-R2809 PolarHBondContact O-N 3.13Å; Y2806-V2810 HydrophobicContact CD1-CG2 4.24Å; Y2806-V2810 HydrophobicContact CE1-CG2 3.9Å; Y2806-V2810 HydrophobicContact CE2-CG2 4.32Å; Y2806-V2810 WeakPolarHBondContact O-CG2 3.35Å; Y2806-V2810 PolarHBondContact O-N 2.85Å; Y2806-V2810 VanDerWaalsContact O-N 3.11Å |
| 2807 | F | 88.8 | Confident | 85.1 | Confident | 9.6 Ų | 9.6 | 27.8 Ų | 27.8 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 178.6 | 174.8 | -89.1 | 0 | 0 | 0 | 112.4 | A2516 L2519 V2641 L2645 A2803 L2804 R2809 V2810 F2811 L2999 | A2516-F2807 HydrophobicContact CB-CB 4.36Å; A2516-F2807 HydrophobicContact CB-CD2 4.03Å; L2519-F2807 HydrophobicContact CD1-CD2 4.47Å; L2519-F2807 HydrophobicContact CD1-CE2 3.52Å; L2519-F2807 VanDerWaalsContact CD1-CE2 3.5Å; L2519-F2807 HydrophobicContact CD1-CZ 3.83Å; V2641-F2807 HydrophobicContact CG1-CE2 3.97Å; V2641-F2807 HydrophobicContact CG1-CZ 3.9Å; L2645-F2807 HydrophobicContact CD1-CD1 4.18Å; L2645-F2807 HydrophobicContact CD1-CE1 3.54Å; L2645-F2807 HydrophobicContact CD1-CE2 4.24Å; L2645-F2807 HydrophobicContact CD1-CZ 3.58Å; A2803-F2807 VanDerWaalsContact O-CB 3.29Å; A2803-F2807 WeakPolarHBondContact O-CB 3.32Å; A2803-F2807 PolarHBondContact O-N 3Å; L2804-F2807 WeakPolarHBondContact O-CB 3.13Å; L2804-F2807 PolarHBondContact O-N 3.06Å; L2804-F2807 VanDerWaalsContact O-N 3.15Å; F2807-R2809 PolarHBondContact O-N 3.33Å; F2807-V2810 PolarHBondContact O-N 2.85Å; F2807-F2811 VanDerWaalsContact O-CB 3.3Å; F2807-F2811 WeakPolarHBondContact O-CB 3.3Å; F2807-F2811 PolarHBondContact O-N 2.98Å; F2807-L2999 HydrophobicContact CE1-CD2 3.72Å; F2807-L2999 HydrophobicContact CZ-CD2 4.17Å |
| 2808 | F | 86.7 | Confident | 84.4 | Confident | 0.2 Ų | 0.2 | 28.1 Ų | 28.1 | 0% | 0.001 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.8 | -65.3 | -52.2 | 0 | 0 | 0 | 112.2 | W2649 L2804 L2805 Y2806 V2810 F2811 E2812 F2998 L2999 V3002 L3008 | W2649-F2808 HydrophobicContact CE3-CE2 4.16Å; W2649-F2808 HydrophobicContact CE3-CZ 4.14Å; W2649-F2808 AromaticContact CH2-CE2 3.87Å; W2649-F2808 HydrophobicContact CH2-CE2 4.01Å; W2649-F2808 HydrophobicContact CH2-CZ 4.38Å; W2649-F2808 AromaticContact CZ3-CE2 3.59Å; W2649-F2808 HydrophobicContact CZ3-CE2 3.59Å; W2649-F2808 AromaticContact CZ3-CZ 3.96Å; W2649-F2808 HydrophobicContact CZ3-CZ 4.01Å; L2804-F2808 HydrophobicContact CB-CD2 4.37Å; L2804-F2808 HydrophobicContact CB-CE2 4Å; L2804-F2808 HydrophobicContact CD2-CE2 4.3Å; L2804-F2808 HydrophobicContact CD2-CZ 4.37Å; L2804-F2808 WeakPolarHBondContact O-CD2 3.45Å; L2804-F2808 WeakPolarHBondContact O-CG 3.41Å; L2804-F2808 PolarHBondContact O-N 3.12Å; L2805-F2808 PolarHBondContact O-N 3.44Å; Y2806-F2808 PolarHBondContact O-N 3.02Å; F2808-V2810 PolarHBondContact O-N 2.95Å; F2808-F2811 WeakPolarHBondContact O-CB 3.34Å; F2808-F2811 PolarHBondContact O-N 3.12Å; F2808-E2812 VanDerWaalsContact O-CB 3.28Å; F2808-E2812 WeakPolarHBondContact O-CB 3.39Å; F2808-E2812 PolarHBondContact O-N 3.14Å; F2808-F2998 HydrophobicContact CE1-CZ 4.4Å; F2808-F2998 HydrophobicContact CZ-CZ 4.26Å; F2808-L2999 HydrophobicContact CE1-CD2 4.34Å; F2808-V3002 HydrophobicContact CD1-CG1 4.34Å; F2808-V3002 HydrophobicContact CD2-CG1 4.17Å; F2808-V3002 HydrophobicContact CE1-CB 4.41Å; F2808-V3002 HydrophobicContact CE1-CG1 3.8Å; F2808-V3002 HydrophobicContact CE2-CG1 3.87Å; F2808-V3002 HydrophobicContact CG-CG1 4.47Å; F2808-V3002 HydrophobicContact CZ-CB 4.43Å; F2808-V3002 HydrophobicContact CZ-CG1 3.48Å; F2808-V3002 VanDerWaalsContact CZ-CG1 3.45Å; F2808-L3008 HydrophobicContact CD2-CD1 3.76Å; F2808-L3008 HydrophobicContact CE2-CD1 3.98Å |
| 2809 | R | 83.6 | Confident | 83.9 | Confident | 68.8 Ų | 68.8 | 27.6 Ų | 27.6 | 26% | 0.26 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.2 | -170.5 | -167.2 | -174.2 | 105.8 | -4.1 | 112.6 | L2805 Y2806 F2807 F2811 E2812 S2813 Y3034 D3149 P3151 L3152 F3157 A3159 | L2805-R2809 WeakPolarHBondContact O-CB 3.42Å; L2805-R2809 PolarHBondContact O-N 3.04Å; Y2806-R2809 WeakPolarHBondContact O-CB 3.37Å; Y2806-R2809 PolarHBondContact O-N 3.13Å; F2807-R2809 PolarHBondContact O-N 3.33Å; R2809-F2811 VanDerWaalsContact C-N 3.33Å; R2809-E2812 PolarHBondContact O-N 3.37Å; R2809-S2813 VanDerWaalsContact O-CB 3.29Å; R2809-S2813 WeakPolarHBondContact O-CB 3.24Å; R2809-S2813 PolarHBondContact O-N 3.19Å; R2809-S2813 PolarHBondContact O-OG 3.14Å; R2809-S2813 VanDerWaalsContact O-OG 3.14Å; R2809-Y3034 HydrophobicContact CB-CE2 4.22Å; R2809-Y3034 WeakPolarHBondContact CB-OH 3.41Å; R2809-Y3034 VanDerWaalsContact CD-OH 3.27Å; R2809-Y3034 WeakPolarHBondContact CD-OH 3.42Å; R2809-Y3034 VanDerWaalsContact CG-OH 3.27Å; R2809-Y3034 WeakPolarHBondContact CG-OH 3.3Å; R2809-Y3034 PolarHBondContact NH1-OH 3.17Å; R2809-Y3034 VanDerWaalsContact NH1-OH 3.1Å; R2809-D3149 IonicContact CZ-OD1 3.37Å; R2809-D3149 IonicContact NE-OD1 3.9Å; R2809-D3149 PolarHBondContact NE-OD1 2.78Å; R2809-D3149 IonicContact NH1-OD1 3.64Å; R2809-D3149 PolarHBondContact NH1-OD1 3.3Å; R2809-D3149 IonicContact NH2-OD1 2.7Å; R2809-D3149 PolarHBondContact NH2-OD1 2.8Å; R2809-P3151 PolarHBondContact NH2-O 3.03Å; R2809-L3152 PolarHBondContact NH1-O 2.83Å; R2809-F3157 PolarHBondContact NH1-O 3.48Å; R2809-F3157 VanDerWaalsContact NH1-O 3.11Å; R2809-F3157 PolarHBondContact NH2-O 3.33Å; R2809-A3159 PolarHBondContact NH2-O 3.4Å |
| 2810 | V | 84.6 | Confident | 83.2 | Confident | 18.6 Ų | 18.6 | 27.2 Ų | 27.2 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.3 | -38.3 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | A2516 Y2806 F2807 F2808 E2812 S2813 S2814 | A2516-V2810 HydrophobicContact CB-CB 4.05Å; A2516-V2810 HydrophobicContact CB-CG1 4.16Å; A2516-V2810 HydrophobicContact CB-CG2 4.3Å; A2516-V2810 VanDerWaalsContact O-CG1 3.28Å; A2516-V2810 WeakPolarHBondContact O-CG1 3.38Å; Y2806-V2810 HydrophobicContact CD1-CG2 4.24Å; Y2806-V2810 HydrophobicContact CE1-CG2 3.9Å; Y2806-V2810 HydrophobicContact CE2-CG2 4.32Å; Y2806-V2810 WeakPolarHBondContact O-CG2 3.35Å; Y2806-V2810 PolarHBondContact O-N 2.85Å; Y2806-V2810 VanDerWaalsContact O-N 3.11Å; F2807-V2810 PolarHBondContact O-N 2.85Å; F2808-V2810 PolarHBondContact O-N 2.95Å; V2810-E2812 PolarHBondContact O-N 3.09Å; V2810-S2813 WeakPolarHBondContact CA-OG 3.37Å; V2810-S2813 PolarHBondContact O-N 3Å; V2810-S2813 PolarHBondContact O-OG 3.07Å; V2810-S2814 VanDerWaalsContact O-CB 3.26Å; V2810-S2814 WeakPolarHBondContact O-CB 3.4Å; V2810-S2814 PolarHBondContact O-N 3.04Å; V2810-S2814 PolarHBondContact O-OG 3.19Å; V2810-S2814 VanDerWaalsContact O-OG 3.07Å |
| 2811 | F | 85.2 | Confident | 82.2 | Confident | 7.8 Ų | 7.8 | 36 Ų | 36 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -51.7 | 171.4 | 174.4 | -97 | 0 | 0 | 0 | 112.2 | V2638 F2807 F2808 R2809 S2813 S2814 W2815 I2819 L2999 | V2638-F2811 HydrophobicContact CG1-CD2 4.32Å; V2638-F2811 HydrophobicContact CG1-CE2 4.26Å; F2807-F2811 VanDerWaalsContact O-CB 3.3Å; F2807-F2811 WeakPolarHBondContact O-CB 3.3Å; F2807-F2811 PolarHBondContact O-N 2.98Å; F2808-F2811 WeakPolarHBondContact O-CB 3.34Å; F2808-F2811 PolarHBondContact O-N 3.12Å; R2809-F2811 VanDerWaalsContact C-N 3.33Å; F2811-S2813 VanDerWaalsContact C-N 3.32Å; F2811-S2813 PolarHBondContact O-N 2.95Å; F2811-S2814 CarbonylContact O-C 3.38Å; F2811-S2814 WeakPolarHBondContact O-CA 3.36Å; F2811-S2814 WeakPolarHBondContact O-CB 3.27Å; F2811-S2814 PolarHBondContact O-N 3.08Å; F2811-S2814 VanDerWaalsContact O-N 3.14Å; F2811-W2815 HydrophobicContact CD2-CB 4.21Å; F2811-W2815 AromaticContact CD2-CD1 3.76Å; F2811-W2815 HydrophobicContact CD2-CG 4.16Å; F2811-W2815 HydrophobicContact CE2-CB 3.98Å; F2811-W2815 AromaticContact CE2-CD1 3.66Å; F2811-W2815 AromaticContact CE2-CG 3.73Å; F2811-W2815 HydrophobicContact CE2-CG 4.09Å; F2811-W2815 HydrophobicContact CZ-CB 4.13Å; F2811-W2815 HydrophobicContact CZ-CG 4.49Å; F2811-W2815 PolarHBondContact O-N 3.13Å; F2811-I2819 HydrophobicContact CD2-CD1 4.4Å; F2811-I2819 HydrophobicContact CE2-CD1 3.57Å; F2811-I2819 VanDerWaalsContact CE2-CD1 3.49Å; F2811-I2819 HydrophobicContact CE2-CG1 3.89Å; F2811-I2819 HydrophobicContact CZ-CD1 4.19Å; F2811-I2819 HydrophobicContact CZ-CG1 4.09Å; F2811-L2999 HydrophobicContact CD1-CB 4.49Å; F2811-L2999 HydrophobicContact CD2-CB 4.45Å; F2811-L2999 HydrophobicContact CD2-CD1 4.28Å; F2811-L2999 HydrophobicContact CE1-CB 4.02Å; F2811-L2999 VanDerWaalsContact CE1-O 3.27Å; F2811-L2999 WeakPolarHBondContact CE1-O 3.36Å; F2811-L2999 HydrophobicContact CE2-CB 3.93Å; F2811-L2999 HydrophobicContact CE2-CD1 3.9Å; F2811-L2999 HydrophobicContact CE2-CG 4.28Å; F2811-L2999 HydrophobicContact CZ-CB 3.62Å; F2811-L2999 HydrophobicContact CZ-CD1 4.46Å |
| 2812 | E | 81.9 | Confident | 81.1 | Confident | 57.8 Ų | 57.8 | 39.4 Ų | 39.4 | 27% | 0.27 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.6 | -43 | 178.7 | -173.4 | 175.5 | -173.4 | 0 | 0 | 111.4 | F2808 R2809 V2810 S2814 W2815 H3004 S3005 | F2808-E2812 VanDerWaalsContact O-CB 3.28Å; F2808-E2812 WeakPolarHBondContact O-CB 3.39Å; F2808-E2812 PolarHBondContact O-N 3.14Å; R2809-E2812 PolarHBondContact O-N 3.37Å; V2810-E2812 PolarHBondContact O-N 3.09Å; E2812-S2814 VanDerWaalsContact C-N 3.26Å; E2812-S2814 PolarHBondContact O-N 2.82Å; E2812-W2815 CarbonylContact O-C 3.6Å; E2812-W2815 PolarHBondContact O-N 2.74Å; E2812-H3004 WeakPolarHBondContact OE1-CA 3.42Å; E2812-H3004 IonicContact OE1-CD2 3.55Å; E2812-S3005 WeakPolarHBondContact OE2-CB 3.32Å; E2812-S3005 PolarHBondContact OE2-N 3.04Å; E2812-S3005 PolarHBondContact OE2-OG 3.13Å |
| 2813 | S | 80.2 | Confident | 80.1 | Confident | 74.4 Ų | 74.4 | 40 Ų | 40 | 52% | 0.52 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.8 | -22 | 176.9 | 65.9 | 0 | 0 | 0 | 0 | 115 | R2809 V2810 F2811 | R2809-S2813 VanDerWaalsContact O-CB 3.29Å; R2809-S2813 WeakPolarHBondContact O-CB 3.24Å; R2809-S2813 PolarHBondContact O-N 3.19Å; R2809-S2813 PolarHBondContact O-OG 3.14Å; R2809-S2813 VanDerWaalsContact O-OG 3.14Å; V2810-S2813 WeakPolarHBondContact CA-OG 3.37Å; V2810-S2813 PolarHBondContact O-N 3Å; V2810-S2813 PolarHBondContact O-OG 3.07Å; F2811-S2813 VanDerWaalsContact C-N 3.32Å; F2811-S2813 PolarHBondContact O-N 2.95Å |
| 2814 | S | 79.3 | Confident | 79 | Confident | 6.8 Ų | 6.8 | 41.9 Ų | 41.9 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -92.4 | -40.4 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | S2520 Q2523 V2810 F2811 E2812 P2816 | S2520-S2814 PolarHBondContact OG-OG 3.29Å; Q2523-S2814 VanDerWaalsContact CD-O 3.24Å; Q2523-S2814 PolarHBondContact NE2-O 3.07Å; Q2523-S2814 VanDerWaalsContact OE1-C 3.25Å; Q2523-S2814 VanDerWaalsContact OE1-CB 3.24Å; Q2523-S2814 PolarHBondContact OE1-O 3.06Å; Q2523-S2814 PolarHBondContact OE1-OG 3.39Å; V2810-S2814 VanDerWaalsContact O-CB 3.26Å; V2810-S2814 WeakPolarHBondContact O-CB 3.4Å; V2810-S2814 PolarHBondContact O-N 3.04Å; V2810-S2814 PolarHBondContact O-OG 3.19Å; V2810-S2814 VanDerWaalsContact O-OG 3.07Å; F2811-S2814 CarbonylContact O-C 3.38Å; F2811-S2814 WeakPolarHBondContact O-CA 3.36Å; F2811-S2814 WeakPolarHBondContact O-CB 3.27Å; F2811-S2814 PolarHBondContact O-N 3.08Å; F2811-S2814 VanDerWaalsContact O-N 3.14Å; E2812-S2814 VanDerWaalsContact C-N 3.26Å; E2812-S2814 PolarHBondContact O-N 2.82Å; S2814-P2816 VanDerWaalsContact O-CD 3.31Å; S2814-P2816 WeakPolarHBondContact O-CD 3.26Å |
| 2815 | W | 77.1 | Confident | 77.6 | Confident | 22.4 Ų | 22.4 | 44.9 Ų | 44.9 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | trans | -121.1 | 55.4 | -173.3 | -58.4 | 90.7 | 0 | 0 | 0 | 113.1 | V2635 V2638 F2811 E2812 S2817 G2818 I2819 | V2635-W2815 HydrophobicContact CG2-CH2 4.04Å; V2635-W2815 HydrophobicContact CG2-CZ3 4.14Å; V2638-W2815 HydrophobicContact CG2-CZ2 4.04Å; F2811-W2815 HydrophobicContact CD2-CB 4.21Å; F2811-W2815 AromaticContact CD2-CD1 3.76Å; F2811-W2815 HydrophobicContact CD2-CG 4.16Å; F2811-W2815 HydrophobicContact CE2-CB 3.98Å; F2811-W2815 AromaticContact CE2-CD1 3.66Å; F2811-W2815 AromaticContact CE2-CG 3.73Å; F2811-W2815 HydrophobicContact CE2-CG 4.09Å; F2811-W2815 HydrophobicContact CZ-CB 4.13Å; F2811-W2815 HydrophobicContact CZ-CG 4.49Å; F2811-W2815 PolarHBondContact O-N 3.13Å; E2812-W2815 CarbonylContact O-C 3.6Å; E2812-W2815 PolarHBondContact O-N 2.74Å; W2815-S2817 PolarHBondContact O-N 3.13Å; W2815-G2818 PolarHBondContact O-N 3.06Å; W2815-I2819 HydrophobicContact CB-CD1 4.33Å; W2815-I2819 HydrophobicContact CB-CG1 4.09Å; W2815-I2819 HydrophobicContact CD2-CD1 3.68Å; W2815-I2819 HydrophobicContact CD2-CG1 3.84Å; W2815-I2819 HydrophobicContact CE3-CD1 4.03Å; W2815-I2819 HydrophobicContact CE3-CG1 3.82Å; W2815-I2819 HydrophobicContact CG-CD1 3.84Å; W2815-I2819 HydrophobicContact CG-CG1 4Å; W2815-I2819 HydrophobicContact CZ2-CD1 4.44Å; W2815-I2819 HydrophobicContact CZ3-CD1 4.34Å; W2815-I2819 HydrophobicContact CZ3-CG1 4.3Å | ||
| 2816 | P | 71.8 | Confident | 76.1 | Confident | 101 Ų | 101 | 47.7 Ų | 47.7 | 66% | 0.656 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -4.6 | -173.8 | 20.5 | -25.6 | 0 | 0 | 0 | 115 | S2814 | S2814-P2816 VanDerWaalsContact O-CD 3.31Å; S2814-P2816 WeakPolarHBondContact O-CD 3.26Å |
| 2817 | S | 68 | Low | 74.6 | Confident | 87.2 Ų | 87.2 | 46.6 Ų | 46.6 | 61% | 0.61 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 3.5 | 174.2 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | W2815 | W2815-S2817 PolarHBondContact O-N 3.13Š|
| 2818 | G | 76.5 | Confident | 72.5 | Confident | 12.2 Ų | 12.2 | 52 Ų | 52 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | trans | 73.5 | 164.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W2815 D3000 | W2815-G2818 PolarHBondContact O-N 3.06Å; G2818-D3000 VanDerWaalsContact CA-CG 3.48Å; G2818-D3000 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 2819 | I | 79.1 | Confident | 70.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -96.8 | -30.4 | -179.3 | -60 | -169.7 | 0 | 0 | 0 | 111.6 | V2635 V2638 F2811 W2815 R2821 Q2822 L2823 A2996 L2999 D3000 | V2635-I2819 HydrophobicContact CB-CG2 4.47Å; V2635-I2819 HydrophobicContact CG1-CG2 3.81Å; V2638-I2819 HydrophobicContact CB-CD1 3.55Å; V2638-I2819 HydrophobicContact CG1-CD1 3.41Å; V2638-I2819 VanDerWaalsContact CG1-CD1 3.43Å; V2638-I2819 HydrophobicContact CG2-CD1 4.01Å; F2811-I2819 HydrophobicContact CD2-CD1 4.4Å; F2811-I2819 HydrophobicContact CE2-CD1 3.57Å; F2811-I2819 VanDerWaalsContact CE2-CD1 3.49Å; F2811-I2819 HydrophobicContact CE2-CG1 3.89Å; F2811-I2819 HydrophobicContact CZ-CD1 4.19Å; F2811-I2819 HydrophobicContact CZ-CG1 4.09Å; W2815-I2819 HydrophobicContact CB-CD1 4.33Å; W2815-I2819 HydrophobicContact CB-CG1 4.09Å; W2815-I2819 HydrophobicContact CD2-CD1 3.68Å; W2815-I2819 HydrophobicContact CD2-CG1 3.84Å; W2815-I2819 HydrophobicContact CE3-CD1 4.03Å; W2815-I2819 HydrophobicContact CE3-CG1 3.82Å; W2815-I2819 HydrophobicContact CG-CD1 3.84Å; W2815-I2819 HydrophobicContact CG-CG1 4Å; W2815-I2819 HydrophobicContact CZ2-CD1 4.44Å; W2815-I2819 HydrophobicContact CZ3-CD1 4.34Å; W2815-I2819 HydrophobicContact CZ3-CG1 4.3Å; I2819-R2821 VanDerWaalsContact C-N 3.25Å; I2819-R2821 PolarHBondContact O-N 3.09Å; I2819-R2821 VanDerWaalsContact O-N 3.09Å; I2819-Q2822 CarbonylContact O-C 3.6Å; I2819-Q2822 WeakPolarHBondContact O-CA 3.35Å; I2819-Q2822 WeakPolarHBondContact O-CB 3.48Å; I2819-Q2822 PolarHBondContact O-N 3.02Å; I2819-L2823 HydrophobicContact CG2-CG 4.47Å; I2819-L2823 PolarHBondContact O-N 3.18Å; I2819-L2823 VanDerWaalsContact O-N 3.15Å; I2819-A2996 HydrophobicContact CB-CB 4.35Å; I2819-A2996 HydrophobicContact CG2-CB 4.19Å; I2819-L2999 HydrophobicContact CD1-CB 4.26Å; I2819-L2999 HydrophobicContact CD1-CD1 3.59Å; I2819-D3000 VanDerWaalsContact N-CG 3.33Å; I2819-D3000 PolarHBondContact N-OD1 3.18Å; I2819-D3000 PolarHBondContact N-OD2 2.99Å; I2819-D3000 VanDerWaalsContact N-OD2 3.13Å |
| 2820 | T | 76.3 | Confident | 68.7 | Low | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.6 | -38 | -176.1 | -56.9 | 0 | 0 | 0 | 0 | 112 | Q2822 L2823 N2824 L2993 A2996 K2997 D3000 | T2820-Q2822 VanDerWaalsContact C-N 3.31Å; T2820-Q2822 PolarHBondContact O-N 3.18Å; T2820-L2823 PolarHBondContact O-N 2.9Å; T2820-N2824 WeakPolarHBondContact O-CB 3.35Å; T2820-N2824 VanDerWaalsContact O-CG 3.28Å; T2820-N2824 PolarHBondContact O-N 3.13Å; T2820-N2824 PolarHBondContact O-OD1 2.73Å; T2820-L2993 HydrophobicContact CG2-CD1 3.89Å; T2820-A2996 VanDerWaalsContact OG1-C 3.29Å; T2820-A2996 PolarHBondContact OG1-O 3.15Å; T2820-K2997 HydrophobicContact CG2-CG 4.08Å; T2820-K2997 PolarHBondContact OG1-N 2.99Å; T2820-D3000 WeakPolarHBondContact CA-OD2 3.4Å; T2820-D3000 WeakPolarHBondContact CB-OD2 3.34Å; T2820-D3000 PolarHBondContact N-OD2 3.25Å; T2820-D3000 PolarHBondContact OG1-OD2 3.01Å |
| 2821 | R | 69.6 | Low | 66.9 | Low | 190.2 Ų | 190.2 | 60.7 Ų | 60.7 | 72% | 0.718 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.9 | -35.3 | 176.6 | -79.8 | -178 | -177.3 | -93.6 | -2.9 | 112.8 | I2819 S2825 | I2819-R2821 VanDerWaalsContact C-N 3.25Å; I2819-R2821 PolarHBondContact O-N 3.09Å; I2819-R2821 VanDerWaalsContact O-N 3.09Å; R2821-S2825 PolarHBondContact O-N 2.95Å; R2821-S2825 VanDerWaalsContact O-N 3.17Å; R2821-S2825 PolarHBondContact O-OG 3.4Å |
| 2822 | Q | 68.1 | Low | 65.1 | Low | 74.8 Ų | 74.8 | 62.4 Ų | 62.4 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -78.1 | -37.7 | 179.8 | -57.9 | -165.7 | 13.6 | 0 | 0 | 111.6 | V2635 I2819 T2820 N2824 S2825 T2826 | V2635-Q2822 HydrophobicContact CG1-CB 4.17Å; V2635-Q2822 HydrophobicContact CG2-CB 4.15Å; V2635-Q2822 VanDerWaalsContact CG2-OE1 3.26Å; I2819-Q2822 CarbonylContact O-C 3.6Å; I2819-Q2822 WeakPolarHBondContact O-CA 3.35Å; I2819-Q2822 WeakPolarHBondContact O-CB 3.48Å; I2819-Q2822 PolarHBondContact O-N 3.02Å; T2820-Q2822 VanDerWaalsContact C-N 3.31Å; T2820-Q2822 PolarHBondContact O-N 3.18Å; Q2822-N2824 PolarHBondContact O-N 3.07Å; Q2822-S2825 WeakPolarHBondContact O-CB 3.27Å; Q2822-S2825 PolarHBondContact O-N 3.11Å; Q2822-S2825 PolarHBondContact O-OG 3.21Å; Q2822-S2825 VanDerWaalsContact O-OG 3.11Å; Q2822-T2826 PolarHBondContact O-OG1 3.28Å |
| 2823 | L | 69.9 | Low | 63.1 | Low | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 171.7 | -89.8 | 177.4 | 0 | 0 | 0 | 111.6 | L2632 V2635 Q2636 A2639 I2819 T2820 S2825 T2826 L2827 L2992 A2996 | L2632-L2823 HydrophobicContact CD1-CD2 4.29Å; V2635-L2823 HydrophobicContact CG1-CD2 3.59Å; V2635-L2823 HydrophobicContact CG1-CG 3.69Å; Q2636-L2823 HydrophobicContact CG-CD2 4.24Å; A2639-L2823 HydrophobicContact CB-CD1 3.83Å; I2819-L2823 HydrophobicContact CG2-CG 4.47Å; I2819-L2823 PolarHBondContact O-N 3.18Å; I2819-L2823 VanDerWaalsContact O-N 3.15Å; T2820-L2823 PolarHBondContact O-N 2.9Å; L2823-S2825 VanDerWaalsContact C-N 3.28Å; L2823-S2825 PolarHBondContact O-N 3.14Å; L2823-S2825 VanDerWaalsContact O-N 3.13Å; L2823-T2826 PolarHBondContact O-N 3.02Å; L2823-T2826 VanDerWaalsContact O-N 3.1Å; L2823-T2826 PolarHBondContact O-OG1 3.14Å; L2823-L2827 HydrophobicContact CD2-CD1 3.55Å; L2823-L2827 WeakPolarHBondContact O-CD1 3.38Å; L2823-L2827 PolarHBondContact O-N 3.12Å; L2823-L2992 HydrophobicContact CD1-CB 4.38Å; L2823-A2996 HydrophobicContact CD1-CB 3.74Å |
| 2824 | N | 66.5 | Low | 61.3 | Low | 52.2 Ų | 52.2 | 68.5 Ų | 68.5 | 28% | 0.279 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.3 | -30.6 | 180 | -76.5 | -2.7 | 0 | 0 | 0 | 113.2 | T2820 Q2822 T2826 L2827 L2993 | T2820-N2824 WeakPolarHBondContact O-CB 3.35Å; T2820-N2824 VanDerWaalsContact O-CG 3.28Å; T2820-N2824 PolarHBondContact O-N 3.13Å; T2820-N2824 PolarHBondContact O-OD1 2.73Å; Q2822-N2824 PolarHBondContact O-N 3.07Å; N2824-T2826 PolarHBondContact O-N 3.21Å; N2824-T2826 VanDerWaalsContact O-N 3.16Å; N2824-L2827 PolarHBondContact O-N 3.36Å; N2824-L2993 VanDerWaalsContact OD1-CD1 3.28Å; N2824-L2993 WeakPolarHBondContact OD1-CD1 3.39Å |
| 2825 | S | 61 | Low | 59.5 | Low | 69 Ų | 69 | 75.3 Ų | 75.3 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -20.5 | 176.3 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | R2821 Q2822 L2823 R2833 | R2821-S2825 PolarHBondContact O-N 2.95Å; R2821-S2825 VanDerWaalsContact O-N 3.17Å; R2821-S2825 PolarHBondContact O-OG 3.4Å; Q2822-S2825 WeakPolarHBondContact O-CB 3.27Å; Q2822-S2825 PolarHBondContact O-N 3.11Å; Q2822-S2825 PolarHBondContact O-OG 3.21Å; Q2822-S2825 VanDerWaalsContact O-OG 3.11Å; L2823-S2825 VanDerWaalsContact C-N 3.28Å; L2823-S2825 PolarHBondContact O-N 3.14Å; L2823-S2825 VanDerWaalsContact O-N 3.13Å; S2825-R2833 VanDerWaalsContact O-CZ 3.3Å; S2825-R2833 PolarHBondContact O-NH1 3.18Å; S2825-R2833 VanDerWaalsContact O-NH1 3.08Å; S2825-R2833 PolarHBondContact O-NH2 3.03Å |
| 2826 | T | 56.1 | Low | 57.9 | Low | 59.4 Ų | 59.4 | 77.7 Ų | 77.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -1.5 | -172.8 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | L2632 Q2822 L2823 N2824 P2828 | L2632-T2826 HydrophobicContact CD1-CG2 3.8Å; L2632-T2826 WeakPolarHBondContact CD1-OG1 3.23Å; L2632-T2826 HydrophobicContact CD2-CG2 4.03Å; L2632-T2826 HydrophobicContact CG-CG2 4.39Å; Q2822-T2826 PolarHBondContact O-OG1 3.28Å; L2823-T2826 PolarHBondContact O-N 3.02Å; L2823-T2826 VanDerWaalsContact O-N 3.1Å; L2823-T2826 PolarHBondContact O-OG1 3.14Å; N2824-T2826 PolarHBondContact O-N 3.21Å; N2824-T2826 VanDerWaalsContact O-N 3.16Å; T2826-P2828 WeakPolarHBondContact O-CD 3.4Å |
| 2827 | L | 56 | Low | 56.3 | Low | 34.2 Ų | 34.2 | 75.4 Ų | 75.4 | 18% | 0.179 | 40% | 0.397 | C | S | . | . | trans | -66.3 | 124.7 | 171.2 | -122.9 | 73.5 | 0 | 0 | 0 | 110.2 | L2823 N2824 D2829 V2832 R2833 L2985 T2989 | L2823-L2827 HydrophobicContact CD2-CD1 3.55Å; L2823-L2827 WeakPolarHBondContact O-CD1 3.38Å; L2823-L2827 PolarHBondContact O-N 3.12Å; N2824-L2827 PolarHBondContact O-N 3.36Å; L2827-D2829 VanDerWaalsContact C-N 3.28Å; L2827-D2829 PolarHBondContact O-N 3.08Å; L2827-D2829 VanDerWaalsContact O-N 3.14Å; L2827-V2832 HydrophobicContact CD2-CB 4.43Å; L2827-V2832 HydrophobicContact CD2-CG1 3.91Å; L2827-R2833 PolarHBondContact O-NE 2.99Å; L2827-R2833 VanDerWaalsContact O-NE 3.13Å; L2827-R2833 PolarHBondContact O-NH2 3.21Å; L2827-L2985 HydrophobicContact CD1-CD1 4.36Å; L2827-L2985 HydrophobicContact CD2-CD1 4.22Å; L2827-L2985 HydrophobicContact CG-CD1 4.49Å; L2827-T2989 HydrophobicContact CD1-CG2 4.2Å; L2827-T2989 HydrophobicContact CD2-CG2 3.97Å; L2827-T2989 HydrophobicContact CG-CG2 4.24Å | ||
| 2828 | P | 44.8 | Very low | 54.8 | Low | 125 Ų | 125 | 75.3 Ų | 75.3 | 81% | 0.812 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -81.7 | 43.2 | -169.8 | 25.2 | -25.1 | 0 | 0 | 0 | 113.3 | T2826 | T2826-P2828 WeakPolarHBondContact O-CD 3.4Š|
| 2829 | D | 45.8 | Very low | 53.3 | Low | 61.8 Ų | 61.8 | 78.7 Ų | 78.7 | 33% | 0.33 | 41% | 0.408 | S | S | . | . | trans | -146.7 | 126.1 | 172.6 | -133.4 | -30.9 | 0 | 0 | 0 | 112.7 | L2827 I2831 V2832 R2833 | L2827-D2829 VanDerWaalsContact C-N 3.28Å; L2827-D2829 PolarHBondContact O-N 3.08Å; L2827-D2829 VanDerWaalsContact O-N 3.14Å; D2829-I2831 VanDerWaalsContact C-N 3.27Å; D2829-I2831 PolarHBondContact O-N 3.25Å; D2829-I2831 PolarHBondContact OD1-N 3.37Å; D2829-V2832 HydrophobicContact CB-CB 4.14Å; D2829-V2832 HydrophobicContact CB-CG2 4Å; D2829-R2833 VanDerWaalsContact O-CB 3.3Å; D2829-R2833 WeakPolarHBondContact O-CB 3.37Å; D2829-R2833 WeakPolarHBondContact O-CG 3.47Å; D2829-R2833 PolarHBondContact O-N 3.1Å; D2829-R2833 VanDerWaalsContact O-N 3.13Å | ||
| 2830 | P | 44.6 | Very low | 51.4 | Low | 87.8 Ų | 87.8 | 84.6 Ų | 84.6 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.5 | -27.3 | 172 | 28.4 | -34.7 | 0 | 0 | 0 | 112.3 | R2833 F2834 | P2830-R2833 WeakPolarHBondContact O-CB 3.22Å; P2830-R2833 PolarHBondContact O-N 3.21Å; P2830-F2834 WeakPolarHBondContact O-CD2 3.38Å; P2830-F2834 PolarHBondContact O-N 2.89Å |
| 2831 | I | 46.3 | Very low | 49.4 | Very low | 119.2 Ų | 119.2 | 88.4 Ų | 88.4 | 61% | 0.611 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.8 | -42.9 | -177 | -58.3 | 175.9 | 0 | 0 | 0 | 110.7 | D2829 R2833 F2834 K2835 | D2829-I2831 VanDerWaalsContact C-N 3.27Å; D2829-I2831 PolarHBondContact O-N 3.25Å; D2829-I2831 PolarHBondContact OD1-N 3.37Å; I2831-R2833 VanDerWaalsContact C-N 3.31Å; I2831-R2833 PolarHBondContact O-N 3.11Å; I2831-F2834 PolarHBondContact O-N 3.05Å; I2831-K2835 WeakPolarHBondContact O-CB 3.31Å; I2831-K2835 PolarHBondContact O-N 2.96Å |
| 2832 | V | 47.4 | Very low | 47.7 | Very low | 43.8 Ų | 43.8 | 86.1 Ų | 86.1 | 27% | 0.265 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | L2827 D2829 F2834 K2835 L2836 L2985 | L2827-V2832 HydrophobicContact CD2-CB 4.43Å; L2827-V2832 HydrophobicContact CD2-CG1 3.91Å; D2829-V2832 HydrophobicContact CB-CB 4.14Å; D2829-V2832 HydrophobicContact CB-CG2 4Å; V2832-F2834 VanDerWaalsContact C-N 3.32Å; V2832-F2834 PolarHBondContact O-N 3.1Å; V2832-K2835 PolarHBondContact O-N 3.18Å; V2832-L2836 HydrophobicContact CG1-CD1 4.1Å; V2832-L2836 VanDerWaalsContact O-CB 3.3Å; V2832-L2836 WeakPolarHBondContact O-CB 3.33Å; V2832-L2836 PolarHBondContact O-N 2.98Å; V2832-L2836 VanDerWaalsContact O-N 3.12Å; V2832-L2985 HydrophobicContact CG1-CD1 4.26Å; V2832-L2985 HydrophobicContact CG2-CD1 4.35Å |
| 2833 | R | 40.4 | Very low | 46 | Very low | 117.6 Ų | 117.6 | 86.8 Ų | 86.8 | 44% | 0.444 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.6 | -124.8 | 176.4 | -99.7 | -149.2 | -3.9 | 112.1 | S2825 L2827 D2829 P2830 I2831 L2836 S2837 | S2825-R2833 VanDerWaalsContact O-CZ 3.3Å; S2825-R2833 PolarHBondContact O-NH1 3.18Å; S2825-R2833 VanDerWaalsContact O-NH1 3.08Å; S2825-R2833 PolarHBondContact O-NH2 3.03Å; L2827-R2833 PolarHBondContact O-NE 2.99Å; L2827-R2833 VanDerWaalsContact O-NE 3.13Å; L2827-R2833 PolarHBondContact O-NH2 3.21Å; D2829-R2833 VanDerWaalsContact O-CB 3.3Å; D2829-R2833 WeakPolarHBondContact O-CB 3.37Å; D2829-R2833 WeakPolarHBondContact O-CG 3.47Å; D2829-R2833 PolarHBondContact O-N 3.1Å; D2829-R2833 VanDerWaalsContact O-N 3.13Å; P2830-R2833 WeakPolarHBondContact O-CB 3.22Å; P2830-R2833 PolarHBondContact O-N 3.21Å; I2831-R2833 VanDerWaalsContact C-N 3.31Å; I2831-R2833 PolarHBondContact O-N 3.11Å; R2833-L2836 PolarHBondContact O-N 3.15Å; R2833-S2837 WeakPolarHBondContact O-CB 3.48Å; R2833-S2837 PolarHBondContact O-N 2.86Å; R2833-S2837 PolarHBondContact O-OG 3.1Å |
| 2834 | F | 42.2 | Very low | 44.5 | Very low | 143.8 Ų | 143.8 | 90 Ų | 90 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.6 | -52.8 | 173 | -95.4 | -83.3 | 0 | 0 | 0 | 111.5 | P2830 I2831 V2832 L2836 S2837 D2838 | P2830-F2834 WeakPolarHBondContact O-CD2 3.38Å; P2830-F2834 PolarHBondContact O-N 2.89Å; I2831-F2834 PolarHBondContact O-N 3.05Å; V2832-F2834 VanDerWaalsContact C-N 3.32Å; V2832-F2834 PolarHBondContact O-N 3.1Å; F2834-L2836 PolarHBondContact O-N 2.92Å; F2834-L2836 VanDerWaalsContact O-N 3.11Å; F2834-S2837 VanDerWaalsContact CA-OG 3.31Å; F2834-S2837 WeakPolarHBondContact CA-OG 3.29Å; F2834-S2837 CarbonylContact O-C 3.49Å; F2834-S2837 WeakPolarHBondContact O-CA 3.33Å; F2834-S2837 WeakPolarHBondContact O-CB 3.5Å; F2834-S2837 PolarHBondContact O-N 2.98Å; F2834-S2837 PolarHBondContact O-OG 2.95Å; F2834-D2838 WeakPolarHBondContact O-CB 3.37Å; F2834-D2838 PolarHBondContact O-N 2.82Å |
| 2835 | K | 42.6 | Very low | 42.8 | Very low | 148.6 Ų | 148.6 | 93.6 Ų | 93.6 | 65% | 0.646 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -26.6 | 179.8 | -107.6 | -178.6 | 178.3 | -179 | 0 | 114.4 | I2831 V2832 S2837 D2838 V2839 | I2831-K2835 WeakPolarHBondContact O-CB 3.31Å; I2831-K2835 PolarHBondContact O-N 2.96Å; V2832-K2835 PolarHBondContact O-N 3.18Å; K2835-S2837 VanDerWaalsContact C-N 3.34Å; K2835-D2838 WeakPolarHBondContact CA-OD2 3.43Å; K2835-D2838 PolarHBondContact O-N 2.77Å; K2835-V2839 WeakPolarHBondContact O-CG2 3.4Å; K2835-V2839 PolarHBondContact O-N 3.11Å; K2835-V2839 VanDerWaalsContact O-N 3.12Å |
| 2836 | L | 43.5 | Very low | 41.6 | Very low | 73.4 Ų | 73.4 | 98.4 Ų | 98.4 | 38% | 0.384 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -83.3 | -21.2 | 172.6 | -138.8 | 76.1 | 0 | 0 | 0 | 113 | V2832 R2833 F2834 H2840 L2993 | V2832-L2836 HydrophobicContact CG1-CD1 4.1Å; V2832-L2836 VanDerWaalsContact O-CB 3.3Å; V2832-L2836 WeakPolarHBondContact O-CB 3.33Å; V2832-L2836 PolarHBondContact O-N 2.98Å; V2832-L2836 VanDerWaalsContact O-N 3.12Å; R2833-L2836 PolarHBondContact O-N 3.15Å; F2834-L2836 PolarHBondContact O-N 2.92Å; F2834-L2836 VanDerWaalsContact O-N 3.11Å; L2836-H2840 VanDerWaalsContact O-CB 3.29Å; L2836-H2840 WeakPolarHBondContact O-CB 3.21Å; L2836-H2840 PolarHBondContact O-N 3.35Å; L2836-H2840 VanDerWaalsContact O-N 3.15Å; L2836-L2993 HydrophobicContact CD2-CD2 4.37Å |
| 2837 | S | 37.2 | Very low | 40.5 | Very low | 52.2 Ų | 52.2 | 101.1 Ų | 101.1 | 37% | 0.365 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -78.7 | -28.7 | 168.3 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | R2833 F2834 K2835 V2839 H2840 Q2841 | R2833-S2837 WeakPolarHBondContact O-CB 3.48Å; R2833-S2837 PolarHBondContact O-N 2.86Å; R2833-S2837 PolarHBondContact O-OG 3.1Å; F2834-S2837 VanDerWaalsContact CA-OG 3.31Å; F2834-S2837 WeakPolarHBondContact CA-OG 3.29Å; F2834-S2837 CarbonylContact O-C 3.49Å; F2834-S2837 WeakPolarHBondContact O-CA 3.33Å; F2834-S2837 WeakPolarHBondContact O-CB 3.5Å; F2834-S2837 PolarHBondContact O-N 2.98Å; F2834-S2837 PolarHBondContact O-OG 2.95Å; K2835-S2837 VanDerWaalsContact C-N 3.34Å; S2837-V2839 VanDerWaalsContact C-N 3.33Å; S2837-V2839 PolarHBondContact O-N 3.45Å; S2837-H2840 CarbonylContact O-C 3.56Å; S2837-H2840 VanDerWaalsContact O-C 3.28Å; S2837-H2840 VanDerWaalsContact O-CA 3.27Å; S2837-H2840 WeakPolarHBondContact O-CA 3.3Å; S2837-H2840 VanDerWaalsContact O-CB 3.32Å; S2837-H2840 WeakPolarHBondContact O-CB 3.34Å; S2837-H2840 PolarHBondContact O-N 3.17Å; S2837-H2840 VanDerWaalsContact O-N 3.07Å; S2837-Q2841 WeakPolarHBondContact O-CB 3.38Å; S2837-Q2841 PolarHBondContact O-N 3.08Å; S2837-Q2841 VanDerWaalsContact O-N 3.13Å |
| 2838 | D | 37.8 | Very low | 39.2 | Very low | 84.8 Ų | 84.8 | 102.1 Ų | 102.1 | 45% | 0.453 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 176.5 | -57.9 | -28.5 | 0 | 0 | 0 | 110.3 | F2834 K2835 H2840 Q2841 E2842 | F2834-D2838 WeakPolarHBondContact O-CB 3.37Å; F2834-D2838 PolarHBondContact O-N 2.82Å; K2835-D2838 WeakPolarHBondContact CA-OD2 3.43Å; K2835-D2838 PolarHBondContact O-N 2.77Å; D2838-H2840 PolarHBondContact O-N 2.97Å; D2838-H2840 VanDerWaalsContact O-N 3.15Å; D2838-Q2841 CarbonylContact O-C 3.48Å; D2838-Q2841 WeakPolarHBondContact O-CA 3.45Å; D2838-Q2841 VanDerWaalsContact O-CB 3.25Å; D2838-Q2841 WeakPolarHBondContact O-CB 3.29Å; D2838-Q2841 PolarHBondContact O-N 3.03Å; D2838-E2842 VanDerWaalsContact O-CB 3.27Å; D2838-E2842 WeakPolarHBondContact O-CB 3.2Å; D2838-E2842 PolarHBondContact O-N 3.08Å |
| 2839 | V | 43.6 | Very low | 38.5 | Very low | 83.6 Ų | 83.6 | 105.2 Ų | 105.2 | 51% | 0.507 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -22.2 | 167.9 | 178.4 | 0 | 0 | 0 | 0 | 112 | K2835 S2837 Q2841 C2843 | K2835-V2839 WeakPolarHBondContact O-CG2 3.4Å; K2835-V2839 PolarHBondContact O-N 3.11Å; K2835-V2839 VanDerWaalsContact O-N 3.12Å; S2837-V2839 VanDerWaalsContact C-N 3.33Å; S2837-V2839 PolarHBondContact O-N 3.45Å; V2839-Q2841 VanDerWaalsContact C-N 3.34Å; V2839-C2843 WeakPolarHBondContact O-CB 3.35Å; V2839-C2843 PolarHBondContact O-N 2.94Å; V2839-C2843 PolarHBondContact O-SG 2.82Å |
| 2840 | H | 39.5 | Very low | 37.7 | Very low | 124.8 Ų | 124.8 | 107 Ų | 107 | 58% | 0.578 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -86.2 | -15.3 | 172.6 | -127.9 | -60.4 | 0 | 0 | 0 | 113 | L2836 S2837 D2838 C2843 T2844 | L2836-H2840 VanDerWaalsContact O-CB 3.29Å; L2836-H2840 WeakPolarHBondContact O-CB 3.21Å; L2836-H2840 PolarHBondContact O-N 3.35Å; L2836-H2840 VanDerWaalsContact O-N 3.15Å; S2837-H2840 CarbonylContact O-C 3.56Å; S2837-H2840 VanDerWaalsContact O-C 3.28Å; S2837-H2840 VanDerWaalsContact O-CA 3.27Å; S2837-H2840 WeakPolarHBondContact O-CA 3.3Å; S2837-H2840 VanDerWaalsContact O-CB 3.32Å; S2837-H2840 WeakPolarHBondContact O-CB 3.34Å; S2837-H2840 PolarHBondContact O-N 3.17Å; S2837-H2840 VanDerWaalsContact O-N 3.07Å; D2838-H2840 PolarHBondContact O-N 2.97Å; D2838-H2840 VanDerWaalsContact O-N 3.15Å; H2840-C2843 CarbonylContact O-C 3.32Å; H2840-C2843 PolarHBondContact O-N 3.01Å; H2840-T2844 WeakPolarHBondContact O-CB 3.1Å; H2840-T2844 WeakPolarHBondContact O-CG2 3.35Å; H2840-T2844 PolarHBondContact O-N 3.24Å; H2840-T2844 PolarHBondContact O-OG1 3.17Å |
| 2841 | Q | 34.1 | Very low | 36.9 | Very low | 96.8 Ų | 96.8 | 108.3 Ų | 108.3 | 45% | 0.452 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -90.3 | -43.5 | 176.1 | -159.6 | 76 | 18.3 | 0 | 0 | 110.2 | S2837 D2838 V2839 C2843 T2844 E2845 | S2837-Q2841 WeakPolarHBondContact O-CB 3.38Å; S2837-Q2841 PolarHBondContact O-N 3.08Å; S2837-Q2841 VanDerWaalsContact O-N 3.13Å; D2838-Q2841 CarbonylContact O-C 3.48Å; D2838-Q2841 WeakPolarHBondContact O-CA 3.45Å; D2838-Q2841 VanDerWaalsContact O-CB 3.25Å; D2838-Q2841 WeakPolarHBondContact O-CB 3.29Å; D2838-Q2841 PolarHBondContact O-N 3.03Å; V2839-Q2841 VanDerWaalsContact C-N 3.34Å; Q2841-C2843 VanDerWaalsContact C-N 3.3Å; Q2841-C2843 PolarHBondContact O-N 3.2Å; Q2841-T2844 WeakPolarHBondContact CA-OG1 3.48Å; Q2841-T2844 CarbonylContact O-C 3.48Å; Q2841-T2844 VanDerWaalsContact O-C 3.23Å; Q2841-T2844 WeakPolarHBondContact O-CA 3.31Å; Q2841-T2844 WeakPolarHBondContact O-CB 3.36Å; Q2841-T2844 PolarHBondContact O-N 2.96Å; Q2841-T2844 PolarHBondContact O-OG1 2.99Å; Q2841-T2844 VanDerWaalsContact O-OG1 3.11Å; Q2841-T2844 PolarHBondContact OE1-OG1 3.47Å; Q2841-E2845 HydrophobicContact CG-CG 4.17Å; Q2841-E2845 PolarHBondContact NE2-OE1 3.14Å; Q2841-E2845 PolarHBondContact O-N 3.19Å |
| 2842 | E | 34.2 | Very low | 36.1 | Very low | 143 Ų | 143 | 108.6 Ų | 108.6 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.8 | -30.9 | 174.3 | -145.6 | 164.3 | -151.4 | 0 | 0 | 111.4 | D2838 T2844 E2845 E2846 | D2838-E2842 VanDerWaalsContact O-CB 3.27Å; D2838-E2842 WeakPolarHBondContact O-CB 3.2Å; D2838-E2842 PolarHBondContact O-N 3.08Å; E2842-T2844 PolarHBondContact O-N 3.14Å; E2842-T2844 VanDerWaalsContact O-N 3.15Å; E2842-E2845 PolarHBondContact O-N 3.24Å; E2842-E2846 HydrophobicContact CG-CG 4.09Å; E2842-E2846 WeakPolarHBondContact O-CB 3.42Å; E2842-E2846 PolarHBondContact O-N 3.28Å |
| 2843 | C | 33 | Very low | 35.2 | Very low | 89.6 Ų | 89.6 | 110.7 Ų | 110.7 | 61% | 0.605 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.5 | 10.9 | 166.3 | -67.4 | 0 | 0 | 0 | 0 | 114.4 | V2839 H2840 Q2841 I2847 | V2839-C2843 WeakPolarHBondContact O-CB 3.35Å; V2839-C2843 PolarHBondContact O-N 2.94Å; V2839-C2843 PolarHBondContact O-SG 2.82Å; H2840-C2843 CarbonylContact O-C 3.32Å; H2840-C2843 PolarHBondContact O-N 3.01Å; Q2841-C2843 VanDerWaalsContact C-N 3.3Å; Q2841-C2843 PolarHBondContact O-N 3.2Å; C2843-I2847 HydrophobicContact CB-CD1 4.36Å; C2843-I2847 WeakPolarHBondContact O-CB 3.36Å; C2843-I2847 VanDerWaalsContact O-CD1 3.28Å; C2843-I2847 WeakPolarHBondContact O-CD1 3.33Å; C2843-I2847 WeakPolarHBondContact O-CG1 3.36Å |
| 2844 | T | 36.9 | Very low | 34.7 | Very low | 79.6 Ų | 79.6 | 109.2 Ų | 109.2 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -128.6 | -8.1 | 173.4 | 14.4 | 0 | 0 | 0 | 0 | 114.2 | H2840 Q2841 E2842 I2847 G2848 | H2840-T2844 WeakPolarHBondContact O-CB 3.1Å; H2840-T2844 WeakPolarHBondContact O-CG2 3.35Å; H2840-T2844 PolarHBondContact O-N 3.24Å; H2840-T2844 PolarHBondContact O-OG1 3.17Å; Q2841-T2844 WeakPolarHBondContact CA-OG1 3.48Å; Q2841-T2844 CarbonylContact O-C 3.48Å; Q2841-T2844 VanDerWaalsContact O-C 3.23Å; Q2841-T2844 WeakPolarHBondContact O-CA 3.31Å; Q2841-T2844 WeakPolarHBondContact O-CB 3.36Å; Q2841-T2844 PolarHBondContact O-N 2.96Å; Q2841-T2844 PolarHBondContact O-OG1 2.99Å; Q2841-T2844 VanDerWaalsContact O-OG1 3.11Å; Q2841-T2844 PolarHBondContact OE1-OG1 3.47Å; E2842-T2844 PolarHBondContact O-N 3.14Å; E2842-T2844 VanDerWaalsContact O-N 3.15Å; T2844-I2847 WeakPolarHBondContact O-CG1 3.44Å; T2844-G2848 WeakPolarHBondContact O-CA 3.41Å; T2844-G2848 PolarHBondContact O-N 3.33Å |
| 2845 | E | 32.2 | Very low | 34.2 | Very low | 127.6 Ų | 127.6 | 109 Ų | 109 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -108 | -17.6 | 176.2 | -70.7 | -173.9 | -167 | 0 | 0 | 113.8 | Q2841 E2842 I2847 G2848 E2849 | Q2841-E2845 HydrophobicContact CG-CG 4.17Å; Q2841-E2845 PolarHBondContact NE2-OE1 3.14Å; Q2841-E2845 PolarHBondContact O-N 3.19Å; E2842-E2845 PolarHBondContact O-N 3.24Å; E2845-I2847 VanDerWaalsContact C-N 3.29Å; E2845-I2847 HydrophobicContact CG-CD1 4.06Å; E2845-I2847 PolarHBondContact O-N 3.03Å; E2845-I2847 VanDerWaalsContact O-N 3.16Å; E2845-G2848 VanDerWaalsContact O-CA 3.29Å; E2845-G2848 WeakPolarHBondContact O-CA 3.29Å; E2845-G2848 PolarHBondContact O-N 3.09Å; E2845-G2848 VanDerWaalsContact O-N 3.07Å; E2845-E2849 PolarHBondContact O-N 3.42Å |
| 2846 | E | 34.5 | Very low | 33.7 | Very low | 170.6 Ų | 170.6 | 107.9 Ų | 107.9 | 80% | 0.797 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 10.9 | 162 | -70 | -157.3 | 142.4 | 0 | 0 | 112.3 | E2842 G2848 E2849 | E2842-E2846 HydrophobicContact CG-CG 4.09Å; E2842-E2846 WeakPolarHBondContact O-CB 3.42Å; E2842-E2846 PolarHBondContact O-N 3.28Å; E2846-G2848 PolarHBondContact O-N 2.98Å; E2846-E2849 PolarHBondContact O-N 2.78Å |
| 2847 | I | 33.5 | Very low | 33 | Very low | 114.6 Ų | 114.6 | 114.6 Ų | 114.6 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 34.7 | 171.6 | -55.9 | -177.4 | 0 | 0 | 0 | 110.9 | C2843 T2844 E2845 S2853 | C2843-I2847 HydrophobicContact CB-CD1 4.36Å; C2843-I2847 WeakPolarHBondContact O-CB 3.36Å; C2843-I2847 VanDerWaalsContact O-CD1 3.28Å; C2843-I2847 WeakPolarHBondContact O-CD1 3.33Å; C2843-I2847 WeakPolarHBondContact O-CG1 3.36Å; T2844-I2847 WeakPolarHBondContact O-CG1 3.44Å; E2845-I2847 VanDerWaalsContact C-N 3.29Å; E2845-I2847 HydrophobicContact CG-CD1 4.06Å; E2845-I2847 PolarHBondContact O-N 3.03Å; E2845-I2847 VanDerWaalsContact O-N 3.16Å; I2847-S2853 VanDerWaalsContact CG2-OG 3.29Å; I2847-S2853 WeakPolarHBondContact CG2-OG 3.21Å; I2847-S2853 PolarHBondContact O-OG 2.96Å; I2847-S2853 VanDerWaalsContact O-OG 3.14Å |
| 2848 | G | 29.4 | Very low | 32.7 | Very low | 56.8 Ų | 56.8 | 117.1 Ų | 117.1 | 59% | 0.586 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -106.1 | 26.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T2844 E2845 E2846 S2850 | T2844-G2848 WeakPolarHBondContact O-CA 3.41Å; T2844-G2848 PolarHBondContact O-N 3.33Å; E2845-G2848 VanDerWaalsContact O-CA 3.29Å; E2845-G2848 WeakPolarHBondContact O-CA 3.29Å; E2845-G2848 PolarHBondContact O-N 3.09Å; E2845-G2848 VanDerWaalsContact O-N 3.07Å; E2846-G2848 PolarHBondContact O-N 2.98Å; G2848-S2850 PolarHBondContact O-N 3.01Å |
| 2849 | E | 29.5 | Very low | 32.4 | Very low | 189.6 Ų | 189.6 | 118.6 Ų | 118.6 | 89% | 0.886 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 169.3 | 51.3 | 171.8 | -64.7 | -169 | 172.7 | 0 | 0 | 115.7 | E2845 E2846 | E2845-E2849 PolarHBondContact O-N 3.42Å; E2846-E2849 PolarHBondContact O-N 2.78Å |
| 2850 | S | 28.2 | Very low | 31.7 | Very low | 100.2 Ų | 100.2 | 121.4 Ų | 121.4 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -157.2 | 101.5 | 164.5 | -68.3 | 0 | 0 | 0 | 0 | 115.3 | G2848 T2852 | G2848-S2850 PolarHBondContact O-N 3.01Å; S2850-T2852 VanDerWaalsContact C-N 3.3Å; S2850-T2852 PolarHBondContact O-N 3.43Å; S2850-T2852 PolarHBondContact O-OG1 3.49Å |
| 2851 | S | 28.9 | Very low | 31.1 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -2.2 | 63.8 | 157.1 | -58.9 | 0 | 0 | 0 | 0 | 117.7 | S2853 | S2851-S2853 PolarHBondContact O-N 2.83Š|
| 2852 | T | 30.1 | Very low | 30.7 | Very low | 123.6 Ų | 123.6 | 122.8 Ų | 122.8 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | trans | -141.8 | 40.8 | 162.5 | 34.4 | 0 | 0 | 0 | 0 | 114.3 | S2850 S2854 | S2850-T2852 VanDerWaalsContact C-N 3.3Å; S2850-T2852 PolarHBondContact O-N 3.43Å; S2850-T2852 PolarHBondContact O-OG1 3.49Å; T2852-S2854 PolarHBondContact O-N 2.78Å | ||
| 2853 | S | 28.6 | Very low | 30.5 | Very low | 89.4 Ų | 89.4 | 127 Ų | 127 | 63% | 0.625 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -127.5 | 43.5 | -177.9 | 54.3 | 0 | 0 | 0 | 0 | 116.1 | I2847 S2851 I2855 | I2847-S2853 VanDerWaalsContact CG2-OG 3.29Å; I2847-S2853 WeakPolarHBondContact CG2-OG 3.21Å; I2847-S2853 PolarHBondContact O-OG 2.96Å; I2847-S2853 VanDerWaalsContact O-OG 3.14Å; S2851-S2853 PolarHBondContact O-N 2.83Å; S2853-I2855 PolarHBondContact O-N 2.98Å |
| 2854 | S | 28.4 | Very low | 30.3 | Very low | 85.4 Ų | 85.4 | 131.1 Ų | 131.1 | 60% | 0.597 | 71% | 0.708 | S | S | * | * | trans | -99.6 | -20.9 | 178.8 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | T2852 L2856 R2857 T2858 | T2852-S2854 PolarHBondContact O-N 2.78Å; S2854-L2856 PolarHBondContact O-N 2.89Å; S2854-L2856 VanDerWaalsContact O-N 3.12Å; S2854-R2857 PolarHBondContact O-N 3.2Å; S2854-T2858 PolarHBondContact O-N 3.43Å; S2854-T2858 PolarHBondContact O-OG1 3.15Å | ||
| 2855 | I | 32.2 | Very low | 29.8 | Very low | 139.2 Ų | 139.2 | 138.1 Ų | 138.1 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 19.9 | -175.3 | -56.7 | 175.3 | 0 | 0 | 0 | 112.9 | S2853 A2938 | S2853-I2855 PolarHBondContact O-N 2.98Å; I2855-A2938 HydrophobicContact CD1-CB 4.26Å |
| 2856 | L | 32.6 | Very low | 29.7 | Very low | 126.2 Ų | 126.2 | 138.6 Ų | 138.6 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 34.1 | 171.6 | -73 | 179.6 | 0 | 0 | 0 | 113.6 | S2854 T2858 H2940 V2941 | S2854-L2856 PolarHBondContact O-N 2.89Å; S2854-L2856 VanDerWaalsContact O-N 3.12Å; L2856-T2858 PolarHBondContact O-N 2.9Å; L2856-T2858 VanDerWaalsContact O-N 3.07Å; L2856-H2940 WeakPolarHBondContact CD1-O 3.33Å; L2856-V2941 HydrophobicContact CB-CB 4.17Å; L2856-V2941 HydrophobicContact CB-CG1 3.87Å; L2856-V2941 HydrophobicContact CD1-CB 3.75Å; L2856-V2941 HydrophobicContact CD1-CG1 3.96Å; L2856-V2941 HydrophobicContact CG-CB 3.96Å; L2856-V2941 HydrophobicContact CG-CG1 4.18Å |
| 2857 | R | 29.3 | Very low | 29.4 | Very low | 213.4 Ų | 213.4 | 135.2 Ų | 135.2 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | -123.6 | 55.5 | 168.4 | -77 | -172.2 | 177.5 | 168.7 | 2.1 | 112.8 | S2854 T2859 E3697 | S2854-R2857 PolarHBondContact O-N 3.2Å; R2857-T2859 PolarHBondContact O-N 3.4Å; R2857-E3697 IonicContact NH2-OE2 3.61Å | ||
| 2858 | T | 30.4 | Very low | 29.2 | Very low | 104.6 Ų | 104.6 | 136.4 Ų | 136.4 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 59.2 | 177.9 | -43.3 | 0 | 0 | 0 | 0 | 113.9 | S2854 L2856 Q2860 S2862 | S2854-T2858 PolarHBondContact O-N 3.43Å; S2854-T2858 PolarHBondContact O-OG1 3.15Å; L2856-T2858 PolarHBondContact O-N 2.9Å; L2856-T2858 VanDerWaalsContact O-N 3.07Å; T2858-Q2860 VanDerWaalsContact C-N 3.34Å; T2858-Q2860 HydrophobicContact CG2-CB 3.93Å; T2858-Q2860 HydrophobicContact CG2-CG 4.09Å; T2858-Q2860 PolarHBondContact O-N 2.93Å; T2858-S2862 PolarHBondContact OG1-OG 2.95Å |
| 2859 | T | 30.6 | Very low | 29.5 | Very low | 117.6 Ų | 117.6 | 139.9 Ų | 139.9 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 20.9 | 163.1 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | R2857 L2861 L3152 | R2857-T2859 PolarHBondContact O-N 3.4Å; T2859-L2861 PolarHBondContact O-N 3.44Å; T2859-L3152 HydrophobicContact CG2-CD1 4Å |
| 2860 | Q | 29.5 | Very low | 29.6 | Very low | 141.2 Ų | 141.2 | 139.5 Ų | 139.5 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -136.4 | 134.1 | 163.7 | -102.7 | -175.6 | 6.7 | 0 | 0 | 111.7 | T2858 S2862 | T2858-Q2860 VanDerWaalsContact C-N 3.34Å; T2858-Q2860 HydrophobicContact CG2-CB 3.93Å; T2858-Q2860 HydrophobicContact CG2-CG 4.09Å; T2858-Q2860 PolarHBondContact O-N 2.93Å; Q2860-S2862 PolarHBondContact O-N 2.96Å |
| 2861 | L | 27.1 | Very low | 29.7 | Very low | 143.6 Ų | 143.6 | 140.9 Ų | 140.9 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 52.2 | 86.4 | 160 | -64.1 | 171.1 | 0 | 0 | 0 | 117.5 | T2859 Y2863 P3151 L3153 | T2859-L2861 PolarHBondContact O-N 3.44Å; L2861-Y2863 PolarHBondContact O-N 3.09Å; L2861-P3151 HydrophobicContact CD2-CB 3.95Å; L2861-P3151 HydrophobicContact CD2-CG 3.86Å; L2861-L3153 HydrophobicContact CD1-CD1 4.11Å | ||
| 2862 | S | 26.2 | Very low | 29.8 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -149.3 | 133.8 | 141.4 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | T2858 Q2860 E2864 | T2858-S2862 PolarHBondContact OG1-OG 2.95Å; Q2860-S2862 PolarHBondContact O-N 2.96Å; S2862-E2864 PolarHBondContact O-N 3.07Å | ||
| 2863 | Y | 28.4 | Very low | 30.2 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 91% | 0.91 | 73% | 0.734 | S | S | * | * | trans | -108.9 | 87.3 | -179 | -148 | -93.4 | 0 | 0 | 0 | 109.2 | L2861 R2865 | L2861-Y2863 PolarHBondContact O-N 3.09Å; Y2863-R2865 PolarHBondContact O-N 3.13Å | ||
| 2864 | E | 28.8 | Very low | 31 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -130.5 | 123 | 158 | -101.7 | -168.4 | 156.2 | 0 | 0 | 113.4 | S2862 T2866 | S2862-E2864 PolarHBondContact O-N 3.07Å; E2864-T2866 PolarHBondContact O-N 3.32Å | ||
| 2865 | R | 26.8 | Very low | 32 | Very low | 227 Ų | 227 | 141.3 Ų | 141.3 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -51.1 | 93.8 | 169.6 | -175.6 | -164.9 | -60.4 | 174.7 | 1.9 | 113.9 | Y2863 S2867 | Y2863-R2865 PolarHBondContact O-N 3.13Å; R2865-S2867 PolarHBondContact O-N 2.68Å | ||
| 2866 | T | 31 | Very low | 33.1 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | -116.9 | 144 | 149.6 | 41.5 | 0 | 0 | 0 | 0 | 109.8 | E2864 D2868 | E2864-T2866 PolarHBondContact O-N 3.32Å; T2866-D2868 PolarHBondContact O-N 3.45Å | ||
| 2867 | S | 28.7 | Very low | 34.5 | Very low | 98.6 Ų | 98.6 | 134.7 Ų | 134.7 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | -95.9 | 147.4 | -172.2 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | R2865 V2869 | R2865-S2867 PolarHBondContact O-N 2.68Å; S2867-V2869 PolarHBondContact O-N 2.95Å | ||
| 2868 | D | 29.1 | Very low | 36.2 | Very low | 140.8 Ų | 140.8 | 128.5 Ų | 128.5 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | trans | 70.5 | 59.9 | 165.4 | -60.9 | -60.1 | 0 | 0 | 0 | 116.8 | T2866 K2870 | T2866-D2868 PolarHBondContact O-N 3.45Å; D2868-K2870 VanDerWaalsContact C-N 3.28Å; D2868-K2870 PolarHBondContact O-N 3.29Å | ||
| 2869 | V | 35.1 | Very low | 38 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | trans | -117 | 95.5 | 157.6 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | S2867 N2871 | S2867-V2869 PolarHBondContact O-N 2.95Å; V2869-N2871 HydrophobicContact CG1-CB 4.47Å; V2869-N2871 PolarHBondContact O-N 3.3Å | ||
| 2870 | K | 30.3 | Very low | 40.3 | Very low | 180.6 Ų | 180.6 | 126.8 Ų | 126.8 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | -101.5 | 118.5 | 176.2 | -67.9 | -176.9 | 179.8 | 178.8 | 0 | 111.1 | D2868 | D2868-K2870 VanDerWaalsContact C-N 3.28Å; D2868-K2870 PolarHBondContact O-N 3.29Å | ||
| 2871 | N | 30.9 | Very low | 42.8 | Very low | 129.2 Ų | 129.2 | 124.1 Ų | 124.1 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 158 | 32.8 | 168.9 | -64.8 | -9.5 | 0 | 0 | 0 | 114.9 | V2869 R3487 | V2869-N2871 HydrophobicContact CG1-CB 4.47Å; V2869-N2871 PolarHBondContact O-N 3.3Å; N2871-R3487 PolarHBondContact OD1-NH2 3.39Å |
| 2872 | A | 32.1 | Very low | 45.5 | Very low | 78.8 Ų | 78.8 | 122.5 Ų | 122.5 | 65% | 0.651 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -95.5 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q2874 V2875 T2876 | A2872-Q2874 VanDerWaalsContact C-N 3.29Å; A2872-Q2874 PolarHBondContact O-N 3.32Å; A2872-Q2874 VanDerWaalsContact O-N 3.14Å; A2872-V2875 PolarHBondContact O-N 3.2Å; A2872-T2876 PolarHBondContact O-N 2.86Å |
| 2873 | D | 37.8 | Very low | 48.2 | Very low | 128.2 Ų | 128.2 | 119.9 Ų | 119.9 | 69% | 0.686 | 61% | 0.613 | S | S | * | * | trans | -76.2 | 9.4 | -169.2 | -62.3 | -49.1 | 0 | 0 | 0 | 114.6 | V2875 T2876 Q2877 | D2873-V2875 VanDerWaalsContact C-N 3.27Å; D2873-V2875 PolarHBondContact O-N 3.03Å; D2873-T2876 PolarHBondContact O-N 3.39Å; D2873-T2876 PolarHBondContact O-OG1 3.33Å; D2873-Q2877 PolarHBondContact O-N 3.37Å; D2873-Q2877 VanDerWaalsContact O-N 3.16Å | ||
| 2874 | Q | 45.5 | Very low | 50.7 | Low | 131.6 Ų | 131.6 | 114.4 Ų | 114.4 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | trans | -75.8 | 15.3 | -177.1 | -69.4 | -178.2 | 6.2 | 0 | 0 | 113 | A2872 T2876 Q2877 R2878 | A2872-Q2874 VanDerWaalsContact C-N 3.29Å; A2872-Q2874 PolarHBondContact O-N 3.32Å; A2872-Q2874 VanDerWaalsContact O-N 3.14Å; Q2874-T2876 VanDerWaalsContact C-N 3.32Å; Q2874-T2876 PolarHBondContact O-N 2.95Å; Q2874-Q2877 PolarHBondContact O-N 2.83Å; Q2874-R2878 PolarHBondContact O-N 3.25Å | ||
| 2875 | V | 49.1 | Very low | 53.1 | Low | 84.4 Ų | 84.4 | 106.9 Ų | 106.9 | 51% | 0.512 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -82.3 | 24.5 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | A2872 D2873 Q2877 N2879 L2895 L2933 S3752 | A2872-V2875 PolarHBondContact O-N 3.2Å; D2873-V2875 VanDerWaalsContact C-N 3.27Å; D2873-V2875 PolarHBondContact O-N 3.03Å; V2875-Q2877 PolarHBondContact O-N 3Å; V2875-N2879 PolarHBondContact O-ND2 2.72Å; V2875-L2895 HydrophobicContact CG1-CB 4.34Å; V2875-L2895 HydrophobicContact CG1-CD1 3.96Å; V2875-L2895 HydrophobicContact CG1-CD2 4.16Å; V2875-L2895 HydrophobicContact CG1-CG 4.37Å; V2875-L2933 HydrophobicContact CG1-CD2 3.99Å; V2875-L2933 HydrophobicContact CG2-CD2 4.36Å; V2875-S3752 WeakPolarHBondContact CG1-O 3.44Å |
| 2876 | T | 55.2 | Low | 55.8 | Low | 63.4 Ų | 63.4 | 97.8 Ų | 97.8 | 39% | 0.389 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -82.4 | 80 | -179 | 51 | 0 | 0 | 0 | 0 | 114.5 | A2872 D2873 Q2874 R2878 N2879 D2880 F2883 L2895 F3755 E3756 K3759 | A2872-T2876 PolarHBondContact O-N 2.86Å; D2873-T2876 PolarHBondContact O-N 3.39Å; D2873-T2876 PolarHBondContact O-OG1 3.33Å; Q2874-T2876 VanDerWaalsContact C-N 3.32Å; Q2874-T2876 PolarHBondContact O-N 2.95Å; T2876-R2878 PolarHBondContact O-N 2.93Å; T2876-N2879 WeakPolarHBondContact O-CB 3.34Å; T2876-N2879 PolarHBondContact O-N 3.35Å; T2876-D2880 HydrophobicContact CG2-CB 3.75Å; T2876-F2883 HydrophobicContact CG2-CE2 4Å; T2876-L2895 HydrophobicContact CG2-CB 4.08Å; T2876-L2895 HydrophobicContact CG2-CD2 3.64Å; T2876-L2895 HydrophobicContact CG2-CG 4.38Å; T2876-F3755 VanDerWaalsContact O-CB 3.27Å; T2876-F3755 WeakPolarHBondContact O-CB 3.36Å; T2876-E3756 PolarHBondContact N-OE2 3.33Å; T2876-E3756 WeakPolarHBondContact OG1-CG 3.47Å; T2876-E3756 PolarHBondContact OG1-OE2 2.73Å; T2876-E3756 VanDerWaalsContact OG1-OE2 3.13Å; T2876-K3759 HydrophobicContact CG2-CB 4.43Å; T2876-K3759 HydrophobicContact CG2-CD 3.52Å |
| 2877 | Q | 61.4 | Low | 57.9 | Low | 62.6 Ų | 62.6 | 95.5 Ų | 95.5 | 29% | 0.293 | 51% | 0.505 | S | S | . | . | trans | -90.3 | 124.8 | 173.9 | -62.6 | -178.8 | 0.6 | 0 | 0 | 112.7 | D2873 Q2874 V2875 N2879 D2880 R2884 R2885 G2894 | D2873-Q2877 PolarHBondContact O-N 3.37Å; D2873-Q2877 VanDerWaalsContact O-N 3.16Å; Q2874-Q2877 PolarHBondContact O-N 2.83Å; V2875-Q2877 PolarHBondContact O-N 3Å; Q2877-N2879 PolarHBondContact O-N 3.04Å; Q2877-D2880 WeakPolarHBondContact O-CB 3.17Å; Q2877-D2880 PolarHBondContact O-N 3.2Å; Q2877-D2880 VanDerWaalsContact O-N 3.12Å; Q2877-R2884 HydrophobicContact CB-CG 4.41Å; Q2877-R2884 VanDerWaalsContact OE1-CZ 3.28Å; Q2877-R2885 PolarHBondContact NE2-O 3.19Å; Q2877-G2894 PolarHBondContact NE2-O 3.33Å | ||
| 2878 | R | 65.6 | Low | 60.5 | Low | 82.4 Ų | 82.4 | 92.9 Ų | 92.9 | 31% | 0.311 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 106.6 | 172.1 | -112.9 | 168 | 165 | 120.3 | -5 | 112.1 | Q2874 T2876 D2880 F2883 D2898 L2900 D2901 F3755 | Q2874-R2878 PolarHBondContact O-N 3.25Å; T2876-R2878 PolarHBondContact O-N 2.93Å; R2878-D2880 PolarHBondContact O-N 3.28Å; R2878-D2880 VanDerWaalsContact O-N 3.12Å; R2878-F2883 HydrophobicContact CB-CB 4.2Å; R2878-D2898 WeakPolarHBondContact CD-OD2 3.37Å; R2878-D2898 WeakPolarHBondContact CG-OD2 3.29Å; R2878-D2898 IonicContact CZ-OD2 3.1Å; R2878-D2898 IonicContact NE-OD2 3.46Å; R2878-D2898 IonicContact NH1-OD1 3.13Å; R2878-D2898 IonicContact NH1-OD2 3.09Å; R2878-D2898 PolarHBondContact NH1-OD2 3.12Å; R2878-D2898 IonicContact NH2-OD2 3.53Å; R2878-D2898 PolarHBondContact NH2-OD2 3.23Å; R2878-L2900 HydrophobicContact CG-CD1 3.98Å; R2878-D2901 IonicContact CZ-OD1 3.14Å; R2878-D2901 VanDerWaalsContact CZ-OD1 3.28Å; R2878-D2901 IonicContact CZ-OD2 2.7Å; R2878-D2901 IonicContact NH1-OD1 3.19Å; R2878-D2901 PolarHBondContact NH1-OD1 3.26Å; R2878-D2901 IonicContact NH1-OD2 3.45Å; R2878-D2901 PolarHBondContact NH1-OD2 3.45Å; R2878-D2901 VanDerWaalsContact NH2-CG 3.32Å; R2878-D2901 IonicContact NH2-OD1 2.94Å; R2878-D2901 PolarHBondContact NH2-OD1 3.13Å; R2878-D2901 IonicContact NH2-OD2 3.43Å; R2878-D2901 PolarHBondContact NH2-OD2 3.03Å; R2878-F3755 HydrophobicContact CB-CD1 4.28Å; R2878-F3755 HydrophobicContact CB-CE1 3.64Å; R2878-F3755 HydrophobicContact CB-CE2 4.37Å; R2878-F3755 HydrophobicContact CB-CZ 3.71Å; R2878-F3755 HydrophobicContact CG-CE1 4.07Å; R2878-F3755 HydrophobicContact CG-CZ 4.23Å |
| 2879 | N | 68 | Low | 63 | Low | 121.2 Ų | 121.2 | 87.2 Ų | 87.2 | 65% | 0.648 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -71.7 | -12.2 | -173.4 | -75.7 | -43.3 | 0 | 0 | 0 | 115.5 | V2875 T2876 Q2877 P2881 R2884 | V2875-N2879 PolarHBondContact O-ND2 2.72Å; T2876-N2879 WeakPolarHBondContact O-CB 3.34Å; T2876-N2879 PolarHBondContact O-N 3.35Å; Q2877-N2879 PolarHBondContact O-N 3.04Å; N2879-P2881 WeakPolarHBondContact O-CD 3.48Å; N2879-R2884 VanDerWaalsContact O-CZ 3.25Å; N2879-R2884 PolarHBondContact O-NE 3.05Å; N2879-R2884 VanDerWaalsContact O-NE 3.08Å; N2879-R2884 PolarHBondContact O-NH2 3.11Å |
| 2880 | D | 79.2 | Confident | 64.8 | Low | 66.6 Ų | 66.6 | 82 Ų | 82 | 36% | 0.356 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -71.3 | 128.1 | 178.4 | -176.1 | -38.5 | 0 | 0 | 0 | 111 | T2876 Q2877 R2878 F2882 F2883 R2884 K3759 | T2876-D2880 HydrophobicContact CG2-CB 3.75Å; Q2877-D2880 WeakPolarHBondContact O-CB 3.17Å; Q2877-D2880 PolarHBondContact O-N 3.2Å; Q2877-D2880 VanDerWaalsContact O-N 3.12Å; R2878-D2880 PolarHBondContact O-N 3.28Å; R2878-D2880 VanDerWaalsContact O-N 3.12Å; D2880-F2882 PolarHBondContact O-N 3.09Å; D2880-F2882 VanDerWaalsContact OD1-CB 3.28Å; D2880-F2882 WeakPolarHBondContact OD1-CB 3.31Å; D2880-F2882 PolarHBondContact OD1-N 3.2Å; D2880-F2883 HydrophobicContact CB-CD2 4.13Å; D2880-F2883 PolarHBondContact O-N 3.14Å; D2880-F2883 VanDerWaalsContact O-N 3.09Å; D2880-R2884 PolarHBondContact O-N 3.13Å; D2880-K3759 IonicContact OD1-NZ 3.75Å; D2880-K3759 PolarHBondContact OD1-NZ 2.85Å; D2880-K3759 IonicContact OD2-NZ 2.7Å; D2880-K3759 PolarHBondContact OD2-NZ 3.38Å |
| 2881 | P | 81.7 | Confident | 66.6 | Low | 85 Ų | 85 | 74 Ų | 74 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -25.1 | 177.1 | -27.9 | 35.9 | 0 | 0 | 0 | 115.5 | N2879 F2883 R2884 D3149 | N2879-P2881 WeakPolarHBondContact O-CD 3.48Å; P2881-F2883 VanDerWaalsContact C-N 3.32Å; P2881-F2883 PolarHBondContact O-N 3.2Å; P2881-R2884 WeakPolarHBondContact O-CB 3.34Å; P2881-R2884 PolarHBondContact O-N 3.1Å; P2881-D3149 WeakPolarHBondContact CB-OD1 3.36Å; P2881-D3149 HydrophobicContact CG-CB 4.47Å; P2881-D3149 WeakPolarHBondContact CG-OD1 3.5Å |
| 2882 | F | 84.6 | Confident | 68.2 | Low | 109.4 Ų | 109.4 | 69.2 Ų | 69.2 | 48% | 0.48 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -36.3 | 176.8 | -179.9 | -98.6 | 0 | 0 | 0 | 113.4 | D2880 R2884 H3673 W3674 K3759 T3762 M3766 | D2880-F2882 PolarHBondContact O-N 3.09Å; D2880-F2882 VanDerWaalsContact OD1-CB 3.28Å; D2880-F2882 WeakPolarHBondContact OD1-CB 3.31Å; D2880-F2882 PolarHBondContact OD1-N 3.2Å; F2882-R2884 VanDerWaalsContact C-N 3.33Å; F2882-H3673 WeakPolarHBondContact O-CB 3.26Å; F2882-W3674 HydrophobicContact CD1-CB 4.02Å; F2882-W3674 HydrophobicContact CE1-CB 3.78Å; F2882-W3674 HydrophobicContact CZ-CB 4.37Å; F2882-W3674 WeakPolarHBondContact O-CB 3.06Å; F2882-W3674 PolarHBondContact O-N 2.58Å; F2882-K3759 HydrophobicContact CB-CD 4.06Å; F2882-K3759 HydrophobicContact CB-CG 4.44Å; F2882-K3759 HydrophobicContact CD1-CB 4.13Å; F2882-K3759 HydrophobicContact CD1-CD 4.25Å; F2882-K3759 HydrophobicContact CD1-CG 3.83Å; F2882-K3759 HydrophobicContact CD2-CG 4.5Å; F2882-K3759 HydrophobicContact CE1-CB 4.27Å; F2882-K3759 HydrophobicContact CE1-CG 4.18Å; F2882-K3759 HydrophobicContact CG-CD 4.18Å; F2882-K3759 HydrophobicContact CG-CG 4.01Å; F2882-T3762 VanDerWaalsContact CZ-OG1 3.28Å; F2882-T3762 WeakPolarHBondContact CZ-OG1 3.43Å; F2882-M3766 HydrophobicContact CZ-CE 4.46Å |
| 2883 | F | 83 | Confident | 69.5 | Low | 52.2 Ų | 52.2 | 67 Ų | 67 | 23% | 0.229 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -9.9 | 178.7 | -70.3 | -78 | 0 | 0 | 0 | 112.9 | T2876 R2878 D2880 P2881 R2885 L2900 W3674 L3692 F3755 V3758 K3759 | T2876-F2883 HydrophobicContact CG2-CE2 4Å; R2878-F2883 HydrophobicContact CB-CB 4.2Å; D2880-F2883 HydrophobicContact CB-CD2 4.13Å; D2880-F2883 PolarHBondContact O-N 3.14Å; D2880-F2883 VanDerWaalsContact O-N 3.09Å; P2881-F2883 VanDerWaalsContact C-N 3.32Å; P2881-F2883 PolarHBondContact O-N 3.2Å; F2883-R2885 PolarHBondContact O-N 3.45Å; F2883-L2900 HydrophobicContact CD1-CD1 4.19Å; F2883-L2900 HydrophobicContact CE1-CD1 4.19Å; F2883-W3674 HydrophobicContact CD1-CB 3.81Å; F2883-W3674 AromaticContact CD1-CD1 3.78Å; F2883-W3674 HydrophobicContact CD1-CD2 4.24Å; F2883-W3674 AromaticContact CD1-CG 3.67Å; F2883-W3674 HydrophobicContact CD1-CG 3.67Å; F2883-W3674 HydrophobicContact CE1-CB 4.29Å; F2883-W3674 HydrophobicContact CE1-CD2 4.17Å; F2883-W3674 HydrophobicContact CE1-CG 4.05Å; F2883-L3692 HydrophobicContact CE1-CD1 3.88Å; F2883-L3692 HydrophobicContact CZ-CD1 4.49Å; F2883-F3755 HydrophobicContact CD2-CD1 4.28Å; F2883-F3755 HydrophobicContact CE1-CD1 4.44Å; F2883-F3755 HydrophobicContact CE2-CB 4.23Å; F2883-F3755 AromaticContact CE2-CD1 3.89Å; F2883-F3755 HydrophobicContact CE2-CD1 3.89Å; F2883-F3755 HydrophobicContact CZ-CB 4.49Å; F2883-F3755 AromaticContact CZ-CD1 3.99Å; F2883-F3755 HydrophobicContact CZ-CD1 3.99Å; F2883-F3755 WeakPolarHBondContact CZ-O 3.38Å; F2883-V3758 HydrophobicContact CE1-CG1 4.21Å; F2883-V3758 HydrophobicContact CZ-CB 4.44Å; F2883-V3758 HydrophobicContact CZ-CG1 4.38Å; F2883-K3759 HydrophobicContact CE2-CB 4.48Å; F2883-K3759 HydrophobicContact CZ-CB 4.41Å |
| 2884 | R | 80.4 | Confident | 70.6 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -72.1 | 133 | 178.1 | -129.1 | 175.9 | -154.8 | -167.9 | -2 | 111.2 | Q2877 N2879 D2880 P2881 F2882 S2886 F3157 G3158 H3675 | Q2877-R2884 HydrophobicContact CB-CG 4.41Å; Q2877-R2884 VanDerWaalsContact OE1-CZ 3.28Å; N2879-R2884 VanDerWaalsContact O-CZ 3.25Å; N2879-R2884 PolarHBondContact O-NE 3.05Å; N2879-R2884 VanDerWaalsContact O-NE 3.08Å; N2879-R2884 PolarHBondContact O-NH2 3.11Å; D2880-R2884 PolarHBondContact O-N 3.13Å; P2881-R2884 WeakPolarHBondContact O-CB 3.34Å; P2881-R2884 PolarHBondContact O-N 3.1Å; F2882-R2884 VanDerWaalsContact C-N 3.33Å; R2884-S2886 PolarHBondContact O-N 3.21Å; R2884-F3157 PolarHBondContact NH2-O 3.36Å; R2884-G3158 PolarHBondContact NH1-O 3.04Å; R2884-G3158 VanDerWaalsContact NH1-O 3.13Å; R2884-H3675 PolarHBondContact O-CE1 2.97Å |
| 2885 | R | 79.4 | Confident | 71.3 | Confident | 19.8 Ų | 19.8 | 59.2 Ų | 59.2 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 129.6 | 171.1 | -76.2 | -175.8 | 173.2 | -114.2 | -2.8 | 110.1 | Q2877 F2883 I2889 L2890 L2895 P2897 L2899 S2907 F2927 | Q2877-R2885 PolarHBondContact NE2-O 3.19Å; F2883-R2885 PolarHBondContact O-N 3.45Å; R2885-I2889 HydrophobicContact CB-CD1 3.95Å; R2885-I2889 HydrophobicContact CB-CG1 3.96Å; R2885-I2889 HydrophobicContact CB-CG2 4.32Å; R2885-I2889 HydrophobicContact CG-CD1 3.82Å; R2885-I2889 HydrophobicContact CG-CG1 4.26Å; R2885-I2889 HydrophobicContact CG-CG2 4.02Å; R2885-I2889 PolarHBondContact NH1-O 3.41Å; R2885-L2890 HydrophobicContact CB-CD2 3.6Å; R2885-L2890 VanDerWaalsContact CB-CD2 3.5Å; R2885-L2890 HydrophobicContact CB-CG 3.9Å; R2885-L2890 HydrophobicContact CG-CD2 4.5Å; R2885-L2890 VanDerWaalsContact O-CD1 3.32Å; R2885-L2890 WeakPolarHBondContact O-CD1 3.34Å; R2885-L2890 WeakPolarHBondContact O-CG 3.35Å; R2885-L2895 WeakPolarHBondContact CD-O 3.36Å; R2885-L2895 PolarHBondContact NE-O 3.14Å; R2885-L2895 PolarHBondContact NH1-O 2.89Å; R2885-P2897 VanDerWaalsContact CZ-O 3.28Å; R2885-P2897 PolarHBondContact NE-O 3.06Å; R2885-P2897 VanDerWaalsContact NE-O 3.12Å; R2885-P2897 PolarHBondContact NH2-O 3Å; R2885-L2899 HydrophobicContact CG-CD1 3.99Å; R2885-L2899 HydrophobicContact CG-CD2 4.25Å; R2885-L2899 HydrophobicContact CG-CG 4.07Å; R2885-S2907 PolarHBondContact NH2-O 3.08Å; R2885-F2927 PolarHBondContact NH1-O 3.03Å |
| 2886 | S | 83.4 | Confident | 72 | Confident | 35.4 Ų | 35.4 | 55.9 Ų | 55.9 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -81 | 161.1 | -178.7 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | R2884 S2888 I2889 L2890 K3665 H3673 H3675 | R2884-S2886 PolarHBondContact O-N 3.21Å; S2886-S2888 PolarHBondContact O-N 2.95Å; S2886-S2888 PolarHBondContact OG-OG 3.27Å; S2886-I2889 VanDerWaalsContact O-CG1 3.28Å; S2886-I2889 WeakPolarHBondContact O-CG1 3.35Å; S2886-I2889 PolarHBondContact O-N 3.19Å; S2886-L2890 WeakPolarHBondContact O-CG 3.44Å; S2886-L2890 PolarHBondContact O-N 3.15Å; S2886-L2890 VanDerWaalsContact O-N 3.1Å; S2886-K3665 PolarHBondContact OG-NZ 2.82Å; S2886-H3673 WeakPolarHBondContact CB-NE2 3.17Å; S2886-H3675 PolarHBondContact N-CE1 3.34Å; S2886-H3675 PolarHBondContact OG-CE1 3.15Å; S2886-H3675 PolarHBondContact OG-NE2 2.82Å |
| 2887 | E | 75.9 | Confident | 72.7 | Confident | 89.8 Ų | 89.8 | 53.9 Ų | 53.9 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.5 | 175.5 | -101.8 | -178.3 | 173.2 | 0 | 0 | 114 | I2889 L2890 R2923 P3151 L3153 G3154 T3155 | E2887-I2889 VanDerWaalsContact C-N 3.32Å; E2887-I2889 PolarHBondContact O-N 3.44Å; E2887-L2890 PolarHBondContact O-N 3.03Å; E2887-R2923 PolarHBondContact O-NH1 3.14Å; E2887-R2923 VanDerWaalsContact O-NH1 3.15Å; E2887-R2923 PolarHBondContact O-NH2 3.18Å; E2887-P3151 WeakPolarHBondContact OE2-CG 3.27Å; E2887-L3153 HydrophobicContact CB-CB 4.34Å; E2887-L3153 HydrophobicContact CB-CD1 4.49Å; E2887-L3153 HydrophobicContact CG-CB 4.01Å; E2887-L3153 HydrophobicContact CG-CD1 4.03Å; E2887-L3153 HydrophobicContact CG-CG 4.41Å; E2887-L3153 WeakPolarHBondContact O-CD1 3.49Å; E2887-L3153 VanDerWaalsContact OE1-CB 3.29Å; E2887-L3153 WeakPolarHBondContact OE1-CB 2.96Å; E2887-L3153 PolarHBondContact OE1-N 2.83Å; E2887-G3154 WeakPolarHBondContact OE1-CA 3.26Å; E2887-G3154 PolarHBondContact OE1-N 3.5Å; E2887-G3154 VanDerWaalsContact OE1-N 3.07Å; E2887-G3154 PolarHBondContact OE2-N 3.49Å; E2887-G3154 VanDerWaalsContact OE2-N 3.11Å; E2887-T3155 WeakPolarHBondContact OE1-CB 3.43Å; E2887-T3155 WeakPolarHBondContact OE1-CG2 3.5Å |
| 2888 | S | 82.5 | Confident | 73.2 | Confident | 43.4 Ų | 43.4 | 52.8 Ų | 52.8 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15 | 173.5 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | S2886 R2923 F2927 R3661 K3665 | S2886-S2888 PolarHBondContact O-N 2.95Å; S2886-S2888 PolarHBondContact OG-OG 3.27Å; S2888-R2923 VanDerWaalsContact C-NH2 3.28Å; S2888-R2923 VanDerWaalsContact O-CZ 3.3Å; S2888-R2923 PolarHBondContact O-NH1 3.09Å; S2888-R2923 PolarHBondContact O-NH2 2.74Å; S2888-F2927 WeakPolarHBondContact O-CE2 3.31Å; S2888-R3661 PolarHBondContact O-NH2 3.42Å; S2888-R3661 PolarHBondContact OG-NH2 2.84Å; S2888-K3665 VanDerWaalsContact OG-CE 3.28Å; S2888-K3665 WeakPolarHBondContact OG-CE 3.39Å |
| 2889 | I | 81.2 | Confident | 73.7 | Confident | 20.2 Ų | 20.2 | 50.6 Ų | 50.6 | 10% | 0.104 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -12 | -179.4 | 54.4 | 170.9 | 0 | 0 | 0 | 114.3 | R2885 S2886 E2887 L2908 F2927 R3661 H3675 | R2885-I2889 HydrophobicContact CB-CD1 3.95Å; R2885-I2889 HydrophobicContact CB-CG1 3.96Å; R2885-I2889 HydrophobicContact CB-CG2 4.32Å; R2885-I2889 HydrophobicContact CG-CD1 3.82Å; R2885-I2889 HydrophobicContact CG-CG1 4.26Å; R2885-I2889 HydrophobicContact CG-CG2 4.02Å; R2885-I2889 PolarHBondContact NH1-O 3.41Å; S2886-I2889 VanDerWaalsContact O-CG1 3.28Å; S2886-I2889 WeakPolarHBondContact O-CG1 3.35Å; S2886-I2889 PolarHBondContact O-N 3.19Å; E2887-I2889 VanDerWaalsContact C-N 3.32Å; E2887-I2889 PolarHBondContact O-N 3.44Å; I2889-L2908 HydrophobicContact CD1-CD2 4.03Å; I2889-L2908 HydrophobicContact CG2-CD2 3.91Å; I2889-F2927 HydrophobicContact CB-CB 4.3Å; I2889-F2927 HydrophobicContact CB-CD1 4.03Å; I2889-F2927 HydrophobicContact CB-CD2 4.09Å; I2889-F2927 HydrophobicContact CB-CE1 4.41Å; I2889-F2927 HydrophobicContact CB-CE2 4.48Å; I2889-F2927 HydrophobicContact CB-CG 3.97Å; I2889-F2927 HydrophobicContact CG1-CD1 4.02Å; I2889-F2927 HydrophobicContact CG1-CE1 4.02Å; I2889-F2927 HydrophobicContact CG2-CB 4.27Å; I2889-F2927 HydrophobicContact CG2-CD1 3.71Å; I2889-F2927 HydrophobicContact CG2-CD2 4.28Å; I2889-F2927 HydrophobicContact CG2-CE1 3.63Å; I2889-F2927 HydrophobicContact CG2-CE2 4.29Å; I2889-F2927 HydrophobicContact CG2-CG 4.15Å; I2889-F2927 HydrophobicContact CG2-CZ 4.1Å; I2889-F2927 WeakPolarHBondContact O-CB 3.41Å; I2889-R3661 VanDerWaalsContact CG2-NH1 3.28Å; I2889-H3675 HydrophobicContact CD1-CB 3.97Å; I2889-H3675 VanDerWaalsContact CD1-CD2 3.49Å; I2889-H3675 WeakPolarHBondContact CD1-CD2 3.33Å; I2889-H3675 VanDerWaalsContact CD1-CG 3.43Å |
| 2890 | L | 72.7 | Confident | 74.1 | Confident | 21.4 Ų | 21.4 | 47.9 Ų | 47.9 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | trans | -67.9 | 151.6 | 176.4 | -75.6 | 172.4 | 0 | 0 | 0 | 112.6 | R2885 S2886 E2887 G2894 L2895 R2923 L3153 L3156 F3157 | R2885-L2890 HydrophobicContact CB-CD2 3.6Å; R2885-L2890 VanDerWaalsContact CB-CD2 3.5Å; R2885-L2890 HydrophobicContact CB-CG 3.9Å; R2885-L2890 HydrophobicContact CG-CD2 4.5Å; R2885-L2890 VanDerWaalsContact O-CD1 3.32Å; R2885-L2890 WeakPolarHBondContact O-CD1 3.34Å; R2885-L2890 WeakPolarHBondContact O-CG 3.35Å; S2886-L2890 WeakPolarHBondContact O-CG 3.44Å; S2886-L2890 PolarHBondContact O-N 3.15Å; S2886-L2890 VanDerWaalsContact O-N 3.1Å; E2887-L2890 PolarHBondContact O-N 3.03Å; L2890-G2894 VanDerWaalsContact CD2-O 3.3Å; L2890-G2894 WeakPolarHBondContact CD2-O 3.36Å; L2890-L2895 HydrophobicContact CD2-CD2 3.77Å; L2890-R2923 VanDerWaalsContact O-CD 3.28Å; L2890-R2923 WeakPolarHBondContact O-CD 3.35Å; L2890-R2923 PolarHBondContact O-NE 3.2Å; L2890-R2923 PolarHBondContact O-NH2 2.99Å; L2890-L3153 HydrophobicContact CB-CD1 4.23Å; L2890-L3153 HydrophobicContact CB-CD2 4.21Å; L2890-L3156 HydrophobicContact CB-CD2 4.49Å; L2890-F3157 HydrophobicContact CB-CD2 4.32Å; L2890-F3157 HydrophobicContact CB-CE2 4.33Å; L2890-F3157 HydrophobicContact CD1-CB 4.24Å; L2890-F3157 HydrophobicContact CD1-CD2 3.8Å; L2890-F3157 HydrophobicContact CD1-CG 4.32Å; L2890-F3157 HydrophobicContact CD2-CD2 3.97Å; L2890-F3157 HydrophobicContact CD2-CE2 4.2Å; L2890-F3157 HydrophobicContact CD2-CG 4.33Å; L2890-F3157 HydrophobicContact CG-CD2 4.26Å | ||
| 2891 | S | 69.8 | Low | 74.1 | Confident | 13.2 Ų | 13.2 | 49.1 Ų | 49.1 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | trans | -90.9 | 164.9 | 168.5 | 76.2 | 0 | 0 | 0 | 0 | 111 | S2893 G2894 L2895 C2929 F3157 | S2891-S2893 VanDerWaalsContact C-N 3.34Å; S2891-S2893 PolarHBondContact O-N 3.12Å; S2891-S2893 WeakPolarHBondContact OG-CB 3.41Å; S2891-S2893 PolarHBondContact OG-N 3.23Å; S2891-S2893 VanDerWaalsContact OG-N 3.1Å; S2891-G2894 PolarHBondContact O-N 3.28Å; S2891-G2894 PolarHBondContact OG-N 3.33Å; S2891-G2894 PolarHBondContact OG-O 2.94Å; S2891-L2895 VanDerWaalsContact CB-O 3.25Å; S2891-L2895 WeakPolarHBondContact CB-O 3.38Å; S2891-L2895 PolarHBondContact OG-N 3.18Å; S2891-L2895 PolarHBondContact OG-O 3.06Å; S2891-C2929 VanDerWaalsContact CB-SG 3.59Å; S2891-C2929 WeakPolarHBondContact OG-CB 3.28Å; S2891-C2929 PolarHBondContact OG-SG 3.16Å; S2891-C2929 VanDerWaalsContact OG-SG 3.34Å; S2891-F3157 WeakPolarHBondContact O-CE2 3.33Å | ||
| 2892 | L | 64.1 | Low | 74.1 | Confident | 28.4 Ų | 28.4 | 45.8 Ų | 45.8 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.7 | 170.3 | -140.4 | 75.5 | 0 | 0 | 0 | 112.1 | G2894 L3009 S3010 C3013 L3016 E3017 L3038 L3152 L3153 L3156 F3157 | L2892-G2894 VanDerWaalsContact C-N 3.29Å; L2892-G2894 PolarHBondContact O-N 2.92Å; L2892-L3009 HydrophobicContact CD1-CB 4.03Å; L2892-L3009 HydrophobicContact CD1-CD1 4.31Å; L2892-L3009 HydrophobicContact CD1-CD2 4.43Å; L2892-L3009 HydrophobicContact CD1-CG 4.48Å; L2892-L3009 HydrophobicContact CD2-CB 4.26Å; L2892-L3009 HydrophobicContact CD2-CD2 4.35Å; L2892-L3009 WeakPolarHBondContact CD2-O 3.09Å; L2892-L3009 HydrophobicContact CG-CB 4.18Å; L2892-S3010 WeakPolarHBondContact O-CA 3.44Å; L2892-S3010 VanDerWaalsContact O-CB 3.25Å; L2892-S3010 WeakPolarHBondContact O-CB 3.41Å; L2892-C3013 HydrophobicContact CB-CB 3.96Å; L2892-L3016 HydrophobicContact CD2-CB 3.86Å; L2892-L3016 HydrophobicContact CD2-CD1 3.92Å; L2892-E3017 HydrophobicContact CD1-CG 4.44Å; L2892-L3038 HydrophobicContact CD1-CD2 3.64Å; L2892-L3038 HydrophobicContact CD2-CD1 4.19Å; L2892-L3038 HydrophobicContact CD2-CD2 3.76Å; L2892-L3038 HydrophobicContact CG-CD2 4.3Å; L2892-L3152 HydrophobicContact CD1-CD2 3.67Å; L2892-L3152 HydrophobicContact CG-CD2 4.29Å; L2892-L3153 HydrophobicContact CD1-CD2 4.04Å; L2892-L3156 HydrophobicContact CD2-CD1 4.49Å; L2892-L3156 HydrophobicContact CD2-CD2 4.49Å; L2892-F3157 HydrophobicContact CD2-CE2 3.71Å; L2892-F3157 HydrophobicContact CD2-CZ 3.86Å; L2892-F3157 VanDerWaalsContact O-CZ 3.31Å; L2892-F3157 WeakPolarHBondContact O-CZ 3.5Å |
| 2893 | S | 59.3 | Low | 74.1 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.6 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 113.9 | S2891 L2895 S3010 C3013 F3157 | S2891-S2893 VanDerWaalsContact C-N 3.34Å; S2891-S2893 PolarHBondContact O-N 3.12Å; S2891-S2893 WeakPolarHBondContact OG-CB 3.41Å; S2891-S2893 PolarHBondContact OG-N 3.23Å; S2891-S2893 VanDerWaalsContact OG-N 3.1Å; S2893-L2895 PolarHBondContact O-N 3.34Å; S2893-L2895 VanDerWaalsContact O-N 3.09Å; S2893-S3010 WeakPolarHBondContact CB-OG 3.17Å; S2893-S3010 WeakPolarHBondContact OG-CA 3.28Å; S2893-S3010 PolarHBondContact OG-O 3.39Å; S2893-S3010 PolarHBondContact OG-OG 3.17Å; S2893-C3013 WeakPolarHBondContact OG-CB 3.42Å; S2893-C3013 PolarHBondContact OG-SG 3.09Å; S2893-C3013 VanDerWaalsContact OG-SG 3.36Å; S2893-F3157 WeakPolarHBondContact O-CE1 3.39Å |
| 2894 | G | 60.1 | Low | 74.2 | Confident | 20.6 Ų | 20.6 | 43.7 Ų | 43.7 | 21% | 0.212 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 97.7 | -26.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q2877 L2890 S2891 L2892 G2896 F3157 | Q2877-G2894 PolarHBondContact NE2-O 3.33Å; L2890-G2894 VanDerWaalsContact CD2-O 3.3Å; L2890-G2894 WeakPolarHBondContact CD2-O 3.36Å; S2891-G2894 PolarHBondContact O-N 3.28Å; S2891-G2894 PolarHBondContact OG-N 3.33Å; S2891-G2894 PolarHBondContact OG-O 2.94Å; L2892-G2894 VanDerWaalsContact C-N 3.29Å; L2892-G2894 PolarHBondContact O-N 2.92Å; G2894-G2896 PolarHBondContact O-N 3.43Å; G2894-F3157 VanDerWaalsContact C-CZ 3.47Å |
| 2895 | L | 61.3 | Low | 74.5 | Confident | 75.8 Ų | 75.8 | 41.7 Ų | 41.7 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | trans | -85.8 | 123 | 177.1 | -57.1 | 176.8 | 0 | 0 | 0 | 110.8 | V2875 T2876 R2885 L2890 S2891 S2893 L2933 F3157 | V2875-L2895 HydrophobicContact CG1-CB 4.34Å; V2875-L2895 HydrophobicContact CG1-CD1 3.96Å; V2875-L2895 HydrophobicContact CG1-CD2 4.16Å; V2875-L2895 HydrophobicContact CG1-CG 4.37Å; T2876-L2895 HydrophobicContact CG2-CB 4.08Å; T2876-L2895 HydrophobicContact CG2-CD2 3.64Å; T2876-L2895 HydrophobicContact CG2-CG 4.38Å; R2885-L2895 WeakPolarHBondContact CD-O 3.36Å; R2885-L2895 PolarHBondContact NE-O 3.14Å; R2885-L2895 PolarHBondContact NH1-O 2.89Å; L2890-L2895 HydrophobicContact CD2-CD2 3.77Å; S2891-L2895 VanDerWaalsContact CB-O 3.25Å; S2891-L2895 WeakPolarHBondContact CB-O 3.38Å; S2891-L2895 PolarHBondContact OG-N 3.18Å; S2891-L2895 PolarHBondContact OG-O 3.06Å; S2893-L2895 PolarHBondContact O-N 3.34Å; S2893-L2895 VanDerWaalsContact O-N 3.09Å; L2895-L2933 HydrophobicContact CB-CD1 3.81Å; L2895-L2933 HydrophobicContact CD1-CD1 3.88Å; L2895-L2933 HydrophobicContact CG-CD1 4.35Å; L2895-F3157 HydrophobicContact CD2-CB 3.87Å; L2895-F3157 HydrophobicContact CD2-CD1 3.3Å; L2895-F3157 HydrophobicContact CD2-CD2 4.46Å; L2895-F3157 HydrophobicContact CD2-CE1 3.9Å; L2895-F3157 HydrophobicContact CD2-CG 3.63Å; L2895-F3157 HydrophobicContact CG-CD1 3.66Å; L2895-F3157 HydrophobicContact CG-CE1 3.83Å; L2895-F3157 HydrophobicContact CG-CG 4.45Å | ||
| 2896 | G | 64.3 | Low | 74.6 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | trans | 152 | 166.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G2894 D2898 | G2894-G2896 PolarHBondContact O-N 3.43Å; G2896-D2898 PolarHBondContact O-N 2.76Å | ||
| 2897 | P | 68.7 | Low | 74.6 | Confident | 21.4 Ų | 21.4 | 44 Ų | 44 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | trans | -63.8 | 145 | -176.5 | 26.8 | -33.8 | 0 | 0 | 0 | 110.7 | R2885 A2902 G2928 D2930 | R2885-P2897 VanDerWaalsContact CZ-O 3.28Å; R2885-P2897 PolarHBondContact NE-O 3.06Å; R2885-P2897 VanDerWaalsContact NE-O 3.12Å; R2885-P2897 PolarHBondContact NH2-O 3Å; P2897-A2902 HydrophobicContact CB-CB 3.74Å; P2897-A2902 HydrophobicContact CG-CB 4.28Å; P2897-G2928 WeakPolarHBondContact CD-O 3.26Å; P2897-G2928 WeakPolarHBondContact CG-O 3.32Å; P2897-D2930 VanDerWaalsContact CD-OD2 3.32Å; P2897-D2930 WeakPolarHBondContact CD-OD2 3.36Å; P2897-D2930 WeakPolarHBondContact CG-OD1 3.24Å | ||
| 2898 | D | 72.2 | Confident | 75.2 | Confident | 39.6 Ų | 39.6 | 41 Ų | 41 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | trans | -66.1 | 141.5 | -178.8 | -160.1 | -7.1 | 0 | 0 | 0 | 110.6 | R2878 G2896 L2900 D2901 A2902 | R2878-D2898 WeakPolarHBondContact CD-OD2 3.37Å; R2878-D2898 WeakPolarHBondContact CG-OD2 3.29Å; R2878-D2898 IonicContact CZ-OD2 3.1Å; R2878-D2898 IonicContact NE-OD2 3.46Å; R2878-D2898 IonicContact NH1-OD1 3.13Å; R2878-D2898 IonicContact NH1-OD2 3.09Å; R2878-D2898 PolarHBondContact NH1-OD2 3.12Å; R2878-D2898 IonicContact NH2-OD2 3.53Å; R2878-D2898 PolarHBondContact NH2-OD2 3.23Å; G2896-D2898 PolarHBondContact O-N 2.76Å; D2898-L2900 PolarHBondContact O-N 2.98Å; D2898-L2900 VanDerWaalsContact O-N 3.11Å; D2898-D2901 HydrophobicContact CB-CB 4.36Å; D2898-D2901 PolarHBondContact O-N 3.25Å; D2898-A2902 PolarHBondContact O-N 3.09Å; D2898-A2902 VanDerWaalsContact O-N 3.14Å | ||
| 2899 | L | 75.2 | Confident | 75.5 | Confident | 34.4 Ų | 34.4 | 40.1 Ų | 40.1 | 18% | 0.18 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.6 | -171.9 | -62.2 | 172.4 | 0 | 0 | 0 | 113.2 | R2885 L2908 H3675 R3689 | R2885-L2899 HydrophobicContact CG-CD1 3.99Å; R2885-L2899 HydrophobicContact CG-CD2 4.25Å; R2885-L2899 HydrophobicContact CG-CG 4.07Å; L2899-L2908 HydrophobicContact CD2-CD1 4.11Å; L2899-L2908 HydrophobicContact CD2-CD2 4.23Å; L2899-L2908 HydrophobicContact CD2-CG 4.05Å; L2899-H3675 HydrophobicContact CD1-CB 3.76Å; L2899-H3675 HydrophobicContact CD2-CB 4.07Å; L2899-R3689 WeakPolarHBondContact O-CD 3.42Å |
| 2900 | L | 77.8 | Confident | 75.9 | Confident | 66.2 Ų | 66.2 | 40.3 Ų | 40.3 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -29.4 | 178.5 | -57.5 | 179.2 | 0 | 0 | 0 | 112.3 | R2878 F2883 D2898 A2902 R3689 L3692 L3693 F3755 | R2878-L2900 HydrophobicContact CG-CD1 3.98Å; F2883-L2900 HydrophobicContact CD1-CD1 4.19Å; F2883-L2900 HydrophobicContact CE1-CD1 4.19Å; D2898-L2900 PolarHBondContact O-N 2.98Å; D2898-L2900 VanDerWaalsContact O-N 3.11Å; L2900-A2902 PolarHBondContact O-N 2.84Å; L2900-R3689 WeakPolarHBondContact O-CD 3.49Å; L2900-R3689 WeakPolarHBondContact O-CG 3.45Å; L2900-R3689 PolarHBondContact O-NH1 2.85Å; L2900-L3692 HydrophobicContact CD2-CB 4.14Å; L2900-L3692 HydrophobicContact CD2-CD1 3.59Å; L2900-L3693 WeakPolarHBondContact O-CD2 3.05Å; L2900-F3755 HydrophobicContact CD1-CE1 4.07Å |
| 2901 | D | 79.2 | Confident | 76.7 | Confident | 91.6 Ų | 91.6 | 41.1 Ų | 41.1 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -34.4 | -171.5 | -60.3 | 2.3 | 0 | 0 | 0 | 111.8 | R2878 D2898 R3689 | R2878-D2901 IonicContact CZ-OD1 3.14Å; R2878-D2901 VanDerWaalsContact CZ-OD1 3.28Å; R2878-D2901 IonicContact CZ-OD2 2.7Å; R2878-D2901 IonicContact NH1-OD1 3.19Å; R2878-D2901 PolarHBondContact NH1-OD1 3.26Å; R2878-D2901 IonicContact NH1-OD2 3.45Å; R2878-D2901 PolarHBondContact NH1-OD2 3.45Å; R2878-D2901 VanDerWaalsContact NH2-CG 3.32Å; R2878-D2901 IonicContact NH2-OD1 2.94Å; R2878-D2901 PolarHBondContact NH2-OD1 3.13Å; R2878-D2901 IonicContact NH2-OD2 3.43Å; R2878-D2901 PolarHBondContact NH2-OD2 3.03Å; D2898-D2901 HydrophobicContact CB-CB 4.36Å; D2898-D2901 PolarHBondContact O-N 3.25Å; D2901-R3689 VanDerWaalsContact C-NH1 3.32Å; D2901-R3689 PolarHBondContact O-NH1 3.35Å |
| 2902 | A | 80.5 | Confident | 77.6 | Confident | 14.2 Ų | 14.2 | 44.7 Ų | 44.7 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -98.8 | 141.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P2897 D2898 L2900 E2906 S2907 R3689 | P2897-A2902 HydrophobicContact CB-CB 3.74Å; P2897-A2902 HydrophobicContact CG-CB 4.28Å; D2898-A2902 PolarHBondContact O-N 3.09Å; D2898-A2902 VanDerWaalsContact O-N 3.14Å; L2900-A2902 PolarHBondContact O-N 2.84Å; A2902-E2906 HydrophobicContact CB-CG 4.41Å; A2902-S2907 WeakPolarHBondContact O-CB 3.46Å; A2902-S2907 PolarHBondContact O-OG 2.97Å; A2902-S2907 VanDerWaalsContact O-OG 3.12Å; A2902-R3689 PolarHBondContact O-NH1 3.5Å |
| 2903 | P | 85.3 | Confident | 78.8 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | trans | -63.7 | 153.4 | -177.1 | 28.8 | -36.1 | 0 | 0 | 0 | 111.9 | S2905 E2906 S2907 | P2903-S2905 PolarHBondContact O-N 3.19Å; P2903-S2905 VanDerWaalsContact O-N 3.07Å; P2903-E2906 WeakPolarHBondContact CD-OE2 3.43Å; P2903-E2906 HydrophobicContact CG-CB 4.12Å; P2903-E2906 CarbonylContact O-C 3.52Å; P2903-E2906 WeakPolarHBondContact O-CA 3.44Å; P2903-E2906 PolarHBondContact O-N 3Å; P2903-S2907 PolarHBondContact O-N 3.06Å; P2903-S2907 PolarHBondContact O-OG 3.12Å; P2903-S2907 VanDerWaalsContact O-OG 3.12Å | ||
| 2904 | L | 85.7 | Confident | 80.3 | Confident | 54.8 Ų | 54.8 | 49.9 Ų | 49.9 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.7 | -31.4 | -174 | -174.1 | 63.5 | 0 | 0 | 0 | 114 | E2906 S2907 L2908 A2911 L2912 A3678 P3682 F3685 | L2904-E2906 VanDerWaalsContact C-N 3.26Å; L2904-E2906 PolarHBondContact O-N 3.25Å; L2904-S2907 WeakPolarHBondContact CA-OG 3.04Å; L2904-L2908 HydrophobicContact CD1-CB 3.91Å; L2904-L2908 HydrophobicContact CD1-CD1 4.2Å; L2904-L2908 HydrophobicContact CD1-CG 4.34Å; L2904-L2908 CarbonylContact O-C 3.51Å; L2904-L2908 VanDerWaalsContact O-C 3.31Å; L2904-L2908 PolarHBondContact O-N 3.08Å; L2904-L2908 VanDerWaalsContact O-N 3.08Å; L2904-A2911 HydrophobicContact CD1-CB 4.07Å; L2904-A2911 HydrophobicContact CD2-CB 4.41Å; L2904-A2911 HydrophobicContact CG-CB 4.37Å; L2904-L2912 HydrophobicContact CD2-CD1 4.5Å; L2904-L2912 HydrophobicContact CD2-CD2 3.86Å; L2904-L2912 HydrophobicContact CD2-CG 4.18Å; L2904-L2912 HydrophobicContact CG-CD1 4.38Å; L2904-L2912 HydrophobicContact CG-CD2 4.33Å; L2904-L2912 HydrophobicContact CG-CG 4.22Å; L2904-A3678 HydrophobicContact CD1-CB 3.62Å; L2904-A3678 HydrophobicContact CD2-CB 4.37Å; L2904-P3682 HydrophobicContact CD2-CB 3.7Å; L2904-F3685 HydrophobicContact CB-CD1 4.48Å; L2904-F3685 HydrophobicContact CB-CE1 4.44Å; L2904-F3685 HydrophobicContact CD1-CD1 3.96Å; L2904-F3685 HydrophobicContact CD1-CE1 3.77Å; L2904-F3685 HydrophobicContact CD2-CD1 4.11Å; L2904-F3685 HydrophobicContact CG-CD1 4.41Å |
| 2905 | S | 85.9 | Confident | 81.8 | Confident | 73.6 Ų | 73.6 | 55.3 Ų | 55.3 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -23.6 | 175.3 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | P2903 | P2903-S2905 PolarHBondContact O-N 3.19Å; P2903-S2905 VanDerWaalsContact O-N 3.07Å |
| 2906 | E | 82.2 | Confident | 83.1 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -105.4 | -43.7 | 179.5 | -177 | 176.7 | -172 | 0 | 0 | 110.8 | A2902 P2903 L2904 P2909 G2928 | A2902-E2906 HydrophobicContact CB-CG 4.41Å; P2903-E2906 WeakPolarHBondContact CD-OE2 3.43Å; P2903-E2906 HydrophobicContact CG-CB 4.12Å; P2903-E2906 CarbonylContact O-C 3.52Å; P2903-E2906 WeakPolarHBondContact O-CA 3.44Å; P2903-E2906 PolarHBondContact O-N 3Å; L2904-E2906 VanDerWaalsContact C-N 3.26Å; L2904-E2906 PolarHBondContact O-N 3.25Å; E2906-P2909 WeakPolarHBondContact O-CD 3.39Å; E2906-G2928 WeakPolarHBondContact O-CA 3.32Å |
| 2907 | S | 83.7 | Confident | 84.4 | Confident | 1.4 Ų | 1.4 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.4 | -32.8 | -176 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | R2885 A2902 P2903 L2904 F2927 | R2885-S2907 PolarHBondContact NH2-O 3.08Å; A2902-S2907 WeakPolarHBondContact O-CB 3.46Å; A2902-S2907 PolarHBondContact O-OG 2.97Å; A2902-S2907 VanDerWaalsContact O-OG 3.12Å; P2903-S2907 PolarHBondContact O-N 3.06Å; P2903-S2907 PolarHBondContact O-OG 3.12Å; P2903-S2907 VanDerWaalsContact O-OG 3.12Å; L2904-S2907 WeakPolarHBondContact CA-OG 3.04Å; S2907-F2927 CarbonylContact O-C 3.28Å; S2907-F2927 VanDerWaalsContact O-O 3.08Å |
| 2908 | L | 87.5 | Confident | 85.3 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | trans | -146.4 | 69.9 | 177.1 | -76.5 | 156.6 | 0 | 0 | 0 | 112.2 | I2889 L2899 L2904 L2910 A2911 F2927 H3675 A3678 F3679 | I2889-L2908 HydrophobicContact CD1-CD2 4.03Å; I2889-L2908 HydrophobicContact CG2-CD2 3.91Å; L2899-L2908 HydrophobicContact CD2-CD1 4.11Å; L2899-L2908 HydrophobicContact CD2-CD2 4.23Å; L2899-L2908 HydrophobicContact CD2-CG 4.05Å; L2904-L2908 HydrophobicContact CD1-CB 3.91Å; L2904-L2908 HydrophobicContact CD1-CD1 4.2Å; L2904-L2908 HydrophobicContact CD1-CG 4.34Å; L2904-L2908 CarbonylContact O-C 3.51Å; L2904-L2908 VanDerWaalsContact O-C 3.31Å; L2904-L2908 PolarHBondContact O-N 3.08Å; L2904-L2908 VanDerWaalsContact O-N 3.08Å; L2908-L2910 VanDerWaalsContact C-N 3.26Å; L2908-L2910 PolarHBondContact O-N 3.16Å; L2908-L2910 VanDerWaalsContact O-N 3.1Å; L2908-A2911 HydrophobicContact CB-CB 4.23Å; L2908-A2911 HydrophobicContact CD2-CB 3.89Å; L2908-A2911 HydrophobicContact CG-CB 4.15Å; L2908-A2911 VanDerWaalsContact O-CB 3.3Å; L2908-A2911 WeakPolarHBondContact O-CB 3.39Å; L2908-A2911 PolarHBondContact O-N 3.23Å; L2908-F2927 HydrophobicContact CD1-CD1 3.81Å; L2908-F2927 HydrophobicContact CD2-CD1 4.17Å; L2908-H3675 HydrophobicContact CD1-CB 3.74Å; L2908-H3675 HydrophobicContact CD2-CB 4.42Å; L2908-A3678 HydrophobicContact CD1-CB 3.88Å; L2908-F3679 HydrophobicContact CD1-CE2 4.39Å | ||
| 2909 | P | 87.8 | Confident | 86 | Confident | 25.2 Ų | 25.2 | 61.6 Ų | 61.6 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.3 | -37 | -175 | -26.5 | 33.3 | 0 | 0 | 0 | 114.8 | E2906 A2911 L2912 Q2913 L2916 E2925 L2926 G2928 | E2906-P2909 WeakPolarHBondContact O-CD 3.39Å; P2909-A2911 PolarHBondContact O-N 2.93Å; P2909-A2911 VanDerWaalsContact O-N 3.16Å; P2909-L2912 PolarHBondContact O-N 3.08Å; P2909-L2912 VanDerWaalsContact O-N 3.11Å; P2909-Q2913 PolarHBondContact O-N 3.06Å; P2909-L2916 HydrophobicContact CB-CD1 3.95Å; P2909-L2916 HydrophobicContact CB-CD2 4.15Å; P2909-E2925 WeakPolarHBondContact CB-O 3.42Å; P2909-L2926 WeakPolarHBondContact CD-O 3.36Å; P2909-G2928 VanDerWaalsContact CD-N 3.35Å |
| 2910 | L | 90.1 | Very high | 86.4 | Confident | 24.8 Ų | 24.8 | 65.2 Ų | 65.2 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -25.1 | 177 | 178.2 | 61.5 | 0 | 0 | 0 | 113.8 | L2908 L2912 Q2913 P2914 L2916 L2917 L2926 F2927 F3679 E3796 | L2908-L2910 VanDerWaalsContact C-N 3.26Å; L2908-L2910 PolarHBondContact O-N 3.16Å; L2908-L2910 VanDerWaalsContact O-N 3.1Å; L2910-L2912 VanDerWaalsContact C-N 3.31Å; L2910-Q2913 CarbonylContact O-C 3.59Å; L2910-Q2913 VanDerWaalsContact O-C 3.28Å; L2910-Q2913 PolarHBondContact O-N 2.91Å; L2910-P2914 WeakPolarHBondContact O-CA 3.37Å; L2910-L2916 HydrophobicContact CD1-CB 4.4Å; L2910-L2917 HydrophobicContact CD1-CB 3.91Å; L2910-L2926 HydrophobicContact CB-CB 4.36Å; L2910-L2926 HydrophobicContact CB-CD2 4.39Å; L2910-L2926 VanDerWaalsContact CB-O 3.25Å; L2910-L2926 WeakPolarHBondContact CB-O 3.39Å; L2910-L2926 HydrophobicContact CD1-CD2 4.01Å; L2910-L2926 HydrophobicContact CD2-CB 4.39Å; L2910-L2926 HydrophobicContact CD2-CD2 4.22Å; L2910-L2926 HydrophobicContact CG-CD2 4.43Å; L2910-L2926 PolarHBondContact N-O 3.09Å; L2910-L2926 VanDerWaalsContact N-O 3.14Å; L2910-F2927 HydrophobicContact CD2-CE1 4.06Å; L2910-F2927 HydrophobicContact CD2-CZ 4.19Å; L2910-F3679 HydrophobicContact CB-CE1 4.2Å; L2910-F3679 HydrophobicContact CD2-CE1 4.29Å; L2910-F3679 HydrophobicContact CG-CE1 4.01Å; L2910-E3796 HydrophobicContact CD2-CG 4.2Å |
| 2911 | A | 89.9 | Confident | 86.7 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.6 | -29.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2904 L2908 P2909 L3606 A3678 F3679 | L2904-A2911 HydrophobicContact CD1-CB 4.07Å; L2904-A2911 HydrophobicContact CD2-CB 4.41Å; L2904-A2911 HydrophobicContact CG-CB 4.37Å; L2908-A2911 HydrophobicContact CB-CB 4.23Å; L2908-A2911 HydrophobicContact CD2-CB 3.89Å; L2908-A2911 HydrophobicContact CG-CB 4.15Å; L2908-A2911 VanDerWaalsContact O-CB 3.3Å; L2908-A2911 WeakPolarHBondContact O-CB 3.39Å; L2908-A2911 PolarHBondContact O-N 3.23Å; P2909-A2911 PolarHBondContact O-N 2.93Å; P2909-A2911 VanDerWaalsContact O-N 3.16Å; A2911-L3606 VanDerWaalsContact O-CD1 3.27Å; A2911-L3606 WeakPolarHBondContact O-CD1 3.02Å; A2911-A3678 HydrophobicContact CB-CB 4.08Å; A2911-F3679 HydrophobicContact CB-CD1 3.99Å; A2911-F3679 HydrophobicContact CB-CE1 3.77Å; A2911-F3679 HydrophobicContact CB-CE2 4.42Å; A2911-F3679 HydrophobicContact CB-CG 4.41Å; A2911-F3679 HydrophobicContact CB-CZ 4Å |
| 2912 | L | 88.8 | Confident | 86.7 | Confident | 89.2 Ų | 89.2 | 59.5 Ų | 59.5 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -91.7 | -31.4 | 172.9 | -66.2 | -176.3 | 0 | 0 | 0 | 112.6 | L2904 P2909 L2910 P2914 P3682 | L2904-L2912 HydrophobicContact CD2-CD1 4.5Å; L2904-L2912 HydrophobicContact CD2-CD2 3.86Å; L2904-L2912 HydrophobicContact CD2-CG 4.18Å; L2904-L2912 HydrophobicContact CG-CD1 4.38Å; L2904-L2912 HydrophobicContact CG-CD2 4.33Å; L2904-L2912 HydrophobicContact CG-CG 4.22Å; P2909-L2912 PolarHBondContact O-N 3.08Å; P2909-L2912 VanDerWaalsContact O-N 3.11Å; L2910-L2912 VanDerWaalsContact C-N 3.31Å; L2912-P2914 VanDerWaalsContact C-CD 3.48Å; L2912-P2914 VanDerWaalsContact O-CD 3.27Å; L2912-P2914 WeakPolarHBondContact O-CD 3.41Å; L2912-P3682 HydrophobicContact CD2-CB 3.77Å; L2912-P3682 HydrophobicContact CD2-CG 4.25Å |
| 2913 | Q | 89.7 | Confident | 86.6 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | trans | -123 | 76.7 | -175.8 | -62.4 | -169.7 | 7.6 | 0 | 0 | 111.2 | P2909 L2910 Q2915 L2916 | P2909-Q2913 PolarHBondContact O-N 3.06Å; L2910-Q2913 CarbonylContact O-C 3.59Å; L2910-Q2913 VanDerWaalsContact O-C 3.28Å; L2910-Q2913 PolarHBondContact O-N 2.91Å; Q2913-Q2915 HydrophobicContact CB-CG 4.41Å; Q2913-Q2915 PolarHBondContact O-N 3.38Å; Q2913-Q2915 VanDerWaalsContact O-N 3.15Å; Q2913-L2916 HydrophobicContact CB-CB 4.32Å; Q2913-L2916 HydrophobicContact CB-CD1 3.73Å; Q2913-L2916 HydrophobicContact CB-CG 3.8Å; Q2913-L2916 WeakPolarHBondContact O-CB 3.36Å; Q2913-L2916 WeakPolarHBondContact O-CG 3.34Å; Q2913-L2916 PolarHBondContact O-N 3.21Å; Q2913-L2916 VanDerWaalsContact O-N 3.07Å | ||
| 2914 | P | 90.3 | Very high | 86.3 | Confident | 68.6 Ų | 68.6 | 60.4 Ų | 60.4 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -59.3 | -28.1 | 179.4 | 22.6 | -33.4 | 0 | 0 | 0 | 113.3 | L2910 L2912 L2916 L2917 L3606 Y3609 | L2910-P2914 WeakPolarHBondContact O-CA 3.37Å; L2912-P2914 VanDerWaalsContact C-CD 3.48Å; L2912-P2914 VanDerWaalsContact O-CD 3.27Å; L2912-P2914 WeakPolarHBondContact O-CD 3.41Å; P2914-L2916 PolarHBondContact O-N 3.09Å; P2914-L2916 VanDerWaalsContact O-N 3.13Å; P2914-L2917 WeakPolarHBondContact O-CB 3.4Å; P2914-L2917 PolarHBondContact O-N 2.97Å; P2914-L2917 VanDerWaalsContact O-N 3.16Å; P2914-L3606 HydrophobicContact CG-CD1 4.12Å; P2914-Y3609 HydrophobicContact CB-CE2 3.55Å; P2914-Y3609 WeakPolarHBondContact CB-OH 3.3Å; P2914-Y3609 HydrophobicContact CG-CE2 3.88Å |
| 2915 | Q | 90.5 | Very high | 86.1 | Confident | 133.8 Ų | 133.8 | 61.9 Ų | 61.9 | 63% | 0.625 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -62.6 | -11.9 | 173.8 | 67.3 | -124.7 | 8.9 | 0 | 0 | 114.9 | Q2913 L2917 Q2918 D3807 | Q2913-Q2915 HydrophobicContact CB-CG 4.41Å; Q2913-Q2915 PolarHBondContact O-N 3.38Å; Q2913-Q2915 VanDerWaalsContact O-N 3.15Å; Q2915-L2917 PolarHBondContact O-N 3.06Å; Q2915-Q2918 PolarHBondContact O-NE2 3.21Å; Q2915-D3807 WeakPolarHBondContact CB-OD2 3.31Å |
| 2916 | L | 89 | Confident | 86 | Confident | 33.2 Ų | 33.2 | 59.1 Ų | 59.1 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -71.1 | -15.6 | 175.5 | -151.4 | 75 | 0 | 0 | 0 | 112.4 | P2909 L2910 Q2913 P2914 Q2918 S2921 E2925 L2926 | P2909-L2916 HydrophobicContact CB-CD1 3.95Å; P2909-L2916 HydrophobicContact CB-CD2 4.15Å; L2910-L2916 HydrophobicContact CD1-CB 4.4Å; Q2913-L2916 HydrophobicContact CB-CB 4.32Å; Q2913-L2916 HydrophobicContact CB-CD1 3.73Å; Q2913-L2916 HydrophobicContact CB-CG 3.8Å; Q2913-L2916 WeakPolarHBondContact O-CB 3.36Å; Q2913-L2916 WeakPolarHBondContact O-CG 3.34Å; Q2913-L2916 PolarHBondContact O-N 3.21Å; Q2913-L2916 VanDerWaalsContact O-N 3.07Å; P2914-L2916 PolarHBondContact O-N 3.09Å; P2914-L2916 VanDerWaalsContact O-N 3.13Å; L2916-Q2918 VanDerWaalsContact C-N 3.35Å; L2916-Q2918 PolarHBondContact O-N 3.12Å; L2916-Q2918 VanDerWaalsContact O-N 3.15Å; L2916-S2921 WeakPolarHBondContact O-CB 3.32Å; L2916-S2921 PolarHBondContact O-OG 2.99Å; L2916-E2925 HydrophobicContact CD1-CG 3.88Å; L2916-E2925 HydrophobicContact CD2-CG 4.05Å; L2916-E2925 WeakPolarHBondContact CD2-O 3.37Å; L2916-E2925 HydrophobicContact CG-CG 4.08Å; L2916-L2926 HydrophobicContact CB-CD2 4.27Å; L2916-L2926 HydrophobicContact CD2-CD2 4.43Å; L2916-L2926 HydrophobicContact CG-CD2 4.1Å; L2916-L2926 WeakPolarHBondContact O-CD2 3.43Å |
| 2917 | L | 91.2 | Very high | 86.2 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | trans | -78.1 | 84.7 | 178.3 | -173.5 | 62.8 | 0 | 0 | 0 | 111.8 | L2910 P2914 Q2915 L2926 E3796 R3799 L3800 | L2910-L2917 HydrophobicContact CD1-CB 3.91Å; P2914-L2917 WeakPolarHBondContact O-CB 3.4Å; P2914-L2917 PolarHBondContact O-N 2.97Å; P2914-L2917 VanDerWaalsContact O-N 3.16Å; Q2915-L2917 PolarHBondContact O-N 3.06Å; L2917-L2926 HydrophobicContact CD1-CD1 4.27Å; L2917-L2926 HydrophobicContact CD1-CD2 4.28Å; L2917-E3796 HydrophobicContact CD1-CB 3.89Å; L2917-E3796 HydrophobicContact CD1-CG 4.42Å; L2917-E3796 HydrophobicContact CD2-CB 4.44Å; L2917-R3799 HydrophobicContact CD2-CB 4.23Å; L2917-R3799 HydrophobicContact CD2-CG 4.26Å; L2917-L3800 HydrophobicContact CD1-CD1 3.73Å; L2917-L3800 HydrophobicContact CD1-CG 4.05Å; L2917-L3800 HydrophobicContact CD2-CG 4.22Å; L2917-L3800 HydrophobicContact CG-CD1 4.1Å; L2917-L3800 HydrophobicContact CG-CD2 4.12Å; L2917-L3800 HydrophobicContact CG-CG 3.9Å | ||
| 2918 | Q | 89.4 | Confident | 85.6 | Confident | 99.8 Ų | 99.8 | 55.9 Ų | 55.9 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | trans | -110.9 | 159.1 | 175.3 | -53 | -163.1 | -1.4 | 0 | 0 | 110.4 | Q2915 L2916 T2920 S2921 | Q2915-Q2918 PolarHBondContact O-NE2 3.21Å; L2916-Q2918 VanDerWaalsContact C-N 3.35Å; L2916-Q2918 PolarHBondContact O-N 3.12Å; L2916-Q2918 VanDerWaalsContact O-N 3.15Å; Q2918-T2920 PolarHBondContact O-N 3.09Å; Q2918-S2921 WeakPolarHBondContact CB-OG 3.39Å; Q2918-S2921 PolarHBondContact N-OG 3.29Å; Q2918-S2921 PolarHBondContact O-N 3.21Å; Q2918-S2921 VanDerWaalsContact O-N 3.12Å; Q2918-S2921 PolarHBondContact O-OG 3.23Å | ||
| 2919 | P | 86 | Confident | 84.5 | Confident | 70.4 Ų | 70.4 | 55.3 Ų | 55.3 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.8 | 178.5 | -25.5 | 35.8 | 0 | 0 | 0 | 114.9 | F3041 T3805 A3875 | P2919-F3041 HydrophobicContact CB-CD1 3.89Å; P2919-F3041 HydrophobicContact CB-CE1 4.16Å; P2919-F3041 HydrophobicContact CG-CE1 4.46Å; P2919-T3805 HydrophobicContact CG-CG2 4.04Å; P2919-A3875 HydrophobicContact CB-CB 4.47Å; P2919-A3875 WeakPolarHBondContact CB-O 3.46Å; P2919-A3875 HydrophobicContact CG-CB 3.96Å; P2919-A3875 WeakPolarHBondContact CG-O 3.4Å |
| 2920 | T | 83.8 | Confident | 83 | Confident | 110.8 Ų | 110.8 | 57.6 Ų | 57.6 | 68% | 0.68 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.2 | -179.1 | 44.6 | 0 | 0 | 0 | 0 | 114.6 | Q2918 | Q2918-T2920 PolarHBondContact O-N 3.09Š|
| 2921 | S | 83.7 | Confident | 81.2 | Confident | 27.4 Ų | 27.4 | 63.1 Ų | 63.1 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | trans | -67.4 | 143.9 | -169.3 | -54 | 0 | 0 | 0 | 0 | 113.5 | L2916 Q2918 E2925 | L2916-S2921 WeakPolarHBondContact O-CB 3.32Å; L2916-S2921 PolarHBondContact O-OG 2.99Å; Q2918-S2921 WeakPolarHBondContact CB-OG 3.39Å; Q2918-S2921 PolarHBondContact N-OG 3.29Å; Q2918-S2921 PolarHBondContact O-N 3.21Å; Q2918-S2921 VanDerWaalsContact O-N 3.12Å; Q2918-S2921 PolarHBondContact O-OG 3.23Å; S2921-E2925 VanDerWaalsContact CA-OE2 3.31Å; S2921-E2925 WeakPolarHBondContact CA-OE2 3.28Å | ||
| 2922 | G | 78.9 | Confident | 79.2 | Confident | 9.4 Ų | 9.4 | 65.3 Ų | 65.3 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | trans | -83 | 149.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2924 E2925 L2926 | G2922-A2924 VanDerWaalsContact C-N 3.29Å; G2922-A2924 PolarHBondContact O-N 3.22Å; G2922-E2925 PolarHBondContact N-OE2 2.99Å; G2922-E2925 VanDerWaalsContact N-OE2 3.15Å; G2922-E2925 WeakPolarHBondContact O-CB 3.35Å; G2922-E2925 PolarHBondContact O-N 2.89Å; G2922-E2925 VanDerWaalsContact O-N 3.13Å; G2922-L2926 WeakPolarHBondContact O-CG 3.37Å; G2922-L2926 PolarHBondContact O-N 3.11Å; G2922-L2926 VanDerWaalsContact O-N 3.09Å | ||
| 2923 | R | 79.8 | Confident | 76.9 | Confident | 79.2 Ų | 79.2 | 65.9 Ų | 65.9 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 174.1 | -135.4 | -179.6 | 175.4 | 112.3 | -5.7 | 112.2 | E2887 S2888 L2890 E2925 L2926 F2927 | E2887-R2923 PolarHBondContact O-NH1 3.14Å; E2887-R2923 VanDerWaalsContact O-NH1 3.15Å; E2887-R2923 PolarHBondContact O-NH2 3.18Å; S2888-R2923 VanDerWaalsContact C-NH2 3.28Å; S2888-R2923 VanDerWaalsContact O-CZ 3.3Å; S2888-R2923 PolarHBondContact O-NH1 3.09Å; S2888-R2923 PolarHBondContact O-NH2 2.74Å; L2890-R2923 VanDerWaalsContact O-CD 3.28Å; L2890-R2923 WeakPolarHBondContact O-CD 3.35Å; L2890-R2923 PolarHBondContact O-NE 3.2Å; L2890-R2923 PolarHBondContact O-NH2 2.99Å; R2923-E2925 VanDerWaalsContact C-N 3.28Å; R2923-E2925 PolarHBondContact O-N 3.07Å; R2923-L2926 PolarHBondContact O-N 3.29Å; R2923-F2927 HydrophobicContact CB-CD2 4.27Å; R2923-F2927 HydrophobicContact CG-CD2 4.04Å; R2923-F2927 HydrophobicContact CG-CE2 4.43Å; R2923-F2927 WeakPolarHBondContact O-CD2 3.37Å; R2923-F2927 PolarHBondContact O-N 3.07Å; R2923-F2927 VanDerWaalsContact O-N 3.08Å |
| 2924 | A | 77.5 | Confident | 74.3 | Confident | 19.8 Ų | 19.8 | 65.3 Ų | 65.3 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -30.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G2922 G2928 C2929 R2931 | G2922-A2924 VanDerWaalsContact C-N 3.29Å; G2922-A2924 PolarHBondContact O-N 3.22Å; A2924-G2928 PolarHBondContact O-N 3.22Å; A2924-G2928 VanDerWaalsContact O-N 3.1Å; A2924-C2929 HydrophobicContact CB-CB 3.98Å; A2924-C2929 WeakPolarHBondContact CB-O 3.37Å; A2924-C2929 PolarHBondContact O-N 2.99Å; A2924-R2931 HydrophobicContact CB-CG 4.44Å |
| 2925 | E | 81.5 | Confident | 71.8 | Confident | 84.8 Ų | 84.8 | 67.8 Ų | 67.8 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.7 | -39.9 | 178.6 | 174.6 | 174.7 | -137.2 | 0 | 0 | 111.5 | P2909 L2916 S2921 G2922 R2923 R2931 | P2909-E2925 WeakPolarHBondContact CB-O 3.42Å; L2916-E2925 HydrophobicContact CD1-CG 3.88Å; L2916-E2925 HydrophobicContact CD2-CG 4.05Å; L2916-E2925 WeakPolarHBondContact CD2-O 3.37Å; L2916-E2925 HydrophobicContact CG-CG 4.08Å; S2921-E2925 VanDerWaalsContact CA-OE2 3.31Å; S2921-E2925 WeakPolarHBondContact CA-OE2 3.28Å; G2922-E2925 PolarHBondContact N-OE2 2.99Å; G2922-E2925 VanDerWaalsContact N-OE2 3.15Å; G2922-E2925 WeakPolarHBondContact O-CB 3.35Å; G2922-E2925 PolarHBondContact O-N 2.89Å; G2922-E2925 VanDerWaalsContact O-N 3.13Å; R2923-E2925 VanDerWaalsContact C-N 3.28Å; R2923-E2925 PolarHBondContact O-N 3.07Å; E2925-R2931 IonicContact OE1-CZ 3.45Å; E2925-R2931 IonicContact OE1-NH1 2.79Å; E2925-R2931 PolarHBondContact OE1-NH1 2.72Å; E2925-R2931 IonicContact OE1-NH2 3.51Å; E2925-R2931 PolarHBondContact OE1-NH2 2.8Å |
| 2926 | L | 85.3 | Confident | 69 | Low | 14.4 Ų | 14.4 | 68.1 Ų | 68.1 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.8 | -37.1 | 179.9 | -63.3 | 168.3 | 0 | 0 | 0 | 113.5 | P2909 L2910 L2916 L2917 G2922 R2923 | P2909-L2926 WeakPolarHBondContact CD-O 3.36Å; L2910-L2926 HydrophobicContact CB-CB 4.36Å; L2910-L2926 HydrophobicContact CB-CD2 4.39Å; L2910-L2926 VanDerWaalsContact CB-O 3.25Å; L2910-L2926 WeakPolarHBondContact CB-O 3.39Å; L2910-L2926 HydrophobicContact CD1-CD2 4.01Å; L2910-L2926 HydrophobicContact CD2-CB 4.39Å; L2910-L2926 HydrophobicContact CD2-CD2 4.22Å; L2910-L2926 HydrophobicContact CG-CD2 4.43Å; L2910-L2926 PolarHBondContact N-O 3.09Å; L2910-L2926 VanDerWaalsContact N-O 3.14Å; L2916-L2926 HydrophobicContact CB-CD2 4.27Å; L2916-L2926 HydrophobicContact CD2-CD2 4.43Å; L2916-L2926 HydrophobicContact CG-CD2 4.1Å; L2916-L2926 WeakPolarHBondContact O-CD2 3.43Å; L2917-L2926 HydrophobicContact CD1-CD1 4.27Å; L2917-L2926 HydrophobicContact CD1-CD2 4.28Å; G2922-L2926 WeakPolarHBondContact O-CG 3.37Å; G2922-L2926 PolarHBondContact O-N 3.11Å; G2922-L2926 VanDerWaalsContact O-N 3.09Å; R2923-L2926 PolarHBondContact O-N 3.29Å |
| 2927 | F | 86 | Confident | 66.1 | Low | 26 Ų | 26 | 70.4 Ų | 70.4 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 16.8 | -167.9 | -58.2 | -63.4 | 0 | 0 | 0 | 114.9 | R2885 S2888 I2889 S2907 L2908 L2910 R2923 C2929 F3679 E3796 | R2885-F2927 PolarHBondContact NH1-O 3.03Å; S2888-F2927 WeakPolarHBondContact O-CE2 3.31Å; I2889-F2927 HydrophobicContact CB-CB 4.3Å; I2889-F2927 HydrophobicContact CB-CD1 4.03Å; I2889-F2927 HydrophobicContact CB-CD2 4.09Å; I2889-F2927 HydrophobicContact CB-CE1 4.41Å; I2889-F2927 HydrophobicContact CB-CE2 4.48Å; I2889-F2927 HydrophobicContact CB-CG 3.97Å; I2889-F2927 HydrophobicContact CG1-CD1 4.02Å; I2889-F2927 HydrophobicContact CG1-CE1 4.02Å; I2889-F2927 HydrophobicContact CG2-CB 4.27Å; I2889-F2927 HydrophobicContact CG2-CD1 3.71Å; I2889-F2927 HydrophobicContact CG2-CD2 4.28Å; I2889-F2927 HydrophobicContact CG2-CE1 3.63Å; I2889-F2927 HydrophobicContact CG2-CE2 4.29Å; I2889-F2927 HydrophobicContact CG2-CG 4.15Å; I2889-F2927 HydrophobicContact CG2-CZ 4.1Å; I2889-F2927 WeakPolarHBondContact O-CB 3.41Å; S2907-F2927 CarbonylContact O-C 3.28Å; S2907-F2927 VanDerWaalsContact O-O 3.08Å; L2908-F2927 HydrophobicContact CD1-CD1 3.81Å; L2908-F2927 HydrophobicContact CD2-CD1 4.17Å; L2910-F2927 HydrophobicContact CD2-CE1 4.06Å; L2910-F2927 HydrophobicContact CD2-CZ 4.19Å; R2923-F2927 HydrophobicContact CB-CD2 4.27Å; R2923-F2927 HydrophobicContact CG-CD2 4.04Å; R2923-F2927 HydrophobicContact CG-CE2 4.43Å; R2923-F2927 WeakPolarHBondContact O-CD2 3.37Å; R2923-F2927 PolarHBondContact O-N 3.07Å; R2923-F2927 VanDerWaalsContact O-N 3.08Å; F2927-C2929 VanDerWaalsContact C-N 3.29Å; F2927-C2929 PolarHBondContact O-N 3.41Å; F2927-C2929 PolarHBondContact O-SG 2.95Å; F2927-F3679 HydrophobicContact CE1-CZ 4.16Å; F2927-E3796 HydrophobicContact CZ-CG 4.03Å |
| 2928 | G | 71.2 | Confident | 63 | Low | 9.4 Ų | 9.4 | 70.4 Ų | 70.4 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 49.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P2897 E2906 P2909 A2924 D2930 | P2897-G2928 WeakPolarHBondContact CD-O 3.26Å; P2897-G2928 WeakPolarHBondContact CG-O 3.32Å; E2906-G2928 WeakPolarHBondContact O-CA 3.32Å; P2909-G2928 VanDerWaalsContact CD-N 3.35Å; A2924-G2928 PolarHBondContact O-N 3.22Å; A2924-G2928 VanDerWaalsContact O-N 3.1Å; G2928-D2930 PolarHBondContact O-N 2.8Å; G2928-D2930 VanDerWaalsContact O-N 3.17Å |
| 2929 | C | 64.2 | Low | 60.1 | Low | 14.4 Ų | 14.4 | 70.5 Ų | 70.5 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | trans | -95.1 | 109.7 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | S2891 A2924 F2927 R2931 | S2891-C2929 VanDerWaalsContact CB-SG 3.59Å; S2891-C2929 WeakPolarHBondContact OG-CB 3.28Å; S2891-C2929 PolarHBondContact OG-SG 3.16Å; S2891-C2929 VanDerWaalsContact OG-SG 3.34Å; A2924-C2929 HydrophobicContact CB-CB 3.98Å; A2924-C2929 WeakPolarHBondContact CB-O 3.37Å; A2924-C2929 PolarHBondContact O-N 2.99Å; F2927-C2929 VanDerWaalsContact C-N 3.29Å; F2927-C2929 PolarHBondContact O-N 3.41Å; F2927-C2929 PolarHBondContact O-SG 2.95Å; C2929-R2931 PolarHBondContact O-N 3.02Å; C2929-R2931 VanDerWaalsContact O-N 3.11Å | ||
| 2930 | D | 55.1 | Low | 57.3 | Low | 74 Ų | 74 | 75.3 Ų | 75.3 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | trans | -58.7 | 121.4 | -177 | -115.3 | -26.9 | 0 | 0 | 0 | 111.2 | P2897 G2928 F2932 L2933 | P2897-D2930 VanDerWaalsContact CD-OD2 3.32Å; P2897-D2930 WeakPolarHBondContact CD-OD2 3.36Å; P2897-D2930 WeakPolarHBondContact CG-OD1 3.24Å; G2928-D2930 PolarHBondContact O-N 2.8Å; G2928-D2930 VanDerWaalsContact O-N 3.17Å; D2930-F2932 WeakPolarHBondContact CB-O 3.49Å; D2930-F2932 PolarHBondContact O-N 3.03Å; D2930-F2932 VanDerWaalsContact O-N 3.12Å; D2930-F2932 PolarHBondContact OD1-N 3.2Å; D2930-F2932 VanDerWaalsContact OD1-N 3.12Å; D2930-L2933 HydrophobicContact CB-CD2 4.1Å; D2930-L2933 HydrophobicContact CB-CG 4.23Å; D2930-L2933 WeakPolarHBondContact OD2-CD2 3.38Å | ||
| 2931 | R | 53.2 | Low | 54.7 | Low | 140.8 Ų | 140.8 | 75.3 Ų | 75.3 | 53% | 0.531 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.2 | 178.6 | -57.4 | -175.3 | -166.2 | -158.3 | 3.2 | 112.2 | A2924 E2925 C2929 E3017 | A2924-R2931 HydrophobicContact CB-CG 4.44Å; E2925-R2931 IonicContact OE1-CZ 3.45Å; E2925-R2931 IonicContact OE1-NH1 2.79Å; E2925-R2931 PolarHBondContact OE1-NH1 2.72Å; E2925-R2931 IonicContact OE1-NH2 3.51Å; E2925-R2931 PolarHBondContact OE1-NH2 2.8Å; C2929-R2931 PolarHBondContact O-N 3.02Å; C2929-R2931 VanDerWaalsContact O-N 3.11Å; R2931-E3017 IonicContact NH2-OE1 2.69Å; R2931-E3017 PolarHBondContact NH2-OE1 2.63Å; R2931-E3017 IonicContact NH2-OE2 3.1Å; R2931-E3017 PolarHBondContact NH2-OE2 3.4Å |
| 2932 | F | 47.4 | Very low | 52 | Low | 84.8 Ų | 84.8 | 78.3 Ų | 78.3 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 38.2 | -168.4 | -60.5 | -71.6 | 0 | 0 | 0 | 112.9 | S2668 A2671 Y2672 D2930 P2934 I2952 | S2668-F2932 VanDerWaalsContact CA-CE1 3.42Å; S2668-F2932 WeakPolarHBondContact OG-CE1 3.31Å; A2671-F2932 HydrophobicContact CB-CE1 4.48Å; A2671-F2932 HydrophobicContact CB-CE2 4Å; A2671-F2932 HydrophobicContact CB-CZ 3.67Å; A2671-F2932 VanDerWaalsContact CB-CZ 3.45Å; Y2672-F2932 HydrophobicContact CE2-CE1 4.37Å; Y2672-F2932 HydrophobicContact CE2-CZ 4.29Å; D2930-F2932 WeakPolarHBondContact CB-O 3.49Å; D2930-F2932 PolarHBondContact O-N 3.03Å; D2930-F2932 VanDerWaalsContact O-N 3.12Å; D2930-F2932 PolarHBondContact OD1-N 3.2Å; D2930-F2932 VanDerWaalsContact OD1-N 3.12Å; F2932-P2934 WeakPolarHBondContact O-CD 3.34Å; F2932-P2934 VanDerWaalsContact O-N 3.09Å; F2932-I2952 HydrophobicContact CE1-CD1 4.48Å |
| 2933 | L | 40.6 | Very low | 49.5 | Very low | 101.4 Ų | 101.4 | 83.4 Ų | 83.4 | 53% | 0.531 | 46% | 0.462 | S | S | . | . | trans | -75 | 108.1 | 158.9 | -70.1 | -177.3 | 0 | 0 | 0 | 108.8 | V2875 L2895 D2930 M2935 | V2875-L2933 HydrophobicContact CG1-CD2 3.99Å; V2875-L2933 HydrophobicContact CG2-CD2 4.36Å; L2895-L2933 HydrophobicContact CB-CD1 3.81Å; L2895-L2933 HydrophobicContact CD1-CD1 3.88Å; L2895-L2933 HydrophobicContact CG-CD1 4.35Å; D2930-L2933 HydrophobicContact CB-CD2 4.1Å; D2930-L2933 HydrophobicContact CB-CG 4.23Å; D2930-L2933 WeakPolarHBondContact OD2-CD2 3.38Å; L2933-M2935 PolarHBondContact O-N 3.05Å; L2933-M2935 VanDerWaalsContact O-N 3.07Å | ||
| 2934 | P | 36.1 | Very low | 47.2 | Very low | 88.2 Ų | 88.2 | 85.9 Ų | 85.9 | 57% | 0.573 | 49% | 0.486 | S | S | * | . | trans | -65.6 | 122.4 | 163.6 | 14.7 | -10.4 | 0 | 0 | 0 | 107.1 | F2932 M2936 | F2932-P2934 WeakPolarHBondContact O-CD 3.34Å; F2932-P2934 VanDerWaalsContact O-N 3.09Å; P2934-M2936 VanDerWaalsContact C-N 3.26Å; P2934-M2936 HydrophobicContact CB-CB 4Å; P2934-M2936 HydrophobicContact CB-CG 4.07Å; P2934-M2936 HydrophobicContact CB-SD 4.42Å; P2934-M2936 HydrophobicContact CG-CB 4.34Å; P2934-M2936 HydrophobicContact CG-CG 3.84Å; P2934-M2936 HydrophobicContact CG-SD 3.91Å; P2934-M2936 PolarHBondContact O-N 2.98Å | ||
| 2935 | M | 36.8 | Very low | 45.1 | Very low | 121.2 Ų | 121.2 | 95.2 Ų | 95.2 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | trans | -68.7 | 83.4 | 168 | -170.1 | 177.1 | 75.7 | 0 | 0 | 108.1 | L2933 S2937 I2950 | L2933-M2935 PolarHBondContact O-N 3.05Å; L2933-M2935 VanDerWaalsContact O-N 3.07Å; M2935-S2937 VanDerWaalsContact C-N 3.29Å; M2935-S2937 PolarHBondContact O-N 3.12Å; M2935-S2937 PolarHBondContact O-OG 3.43Å; M2935-I2950 WeakPolarHBondContact CE-O 3.22Å | ||
| 2936 | M | 31.9 | Very low | 42.7 | Very low | 139.4 Ų | 139.4 | 100.6 Ų | 100.6 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | trans | -86 | 114.8 | -175.4 | -72.6 | -161.7 | 126.3 | 0 | 0 | 110 | N2235 P2934 A2938 | N2235-M2936 HydrophobicContact CB-SD 4.39Å; N2235-M2936 VanDerWaalsContact OD1-CE 3.29Å; N2235-M2936 WeakPolarHBondContact OD1-CE 3.35Å; P2934-M2936 VanDerWaalsContact C-N 3.26Å; P2934-M2936 HydrophobicContact CB-CB 4Å; P2934-M2936 HydrophobicContact CB-CG 4.07Å; P2934-M2936 HydrophobicContact CB-SD 4.42Å; P2934-M2936 HydrophobicContact CG-CB 4.34Å; P2934-M2936 HydrophobicContact CG-CG 3.84Å; P2934-M2936 HydrophobicContact CG-SD 3.91Å; P2934-M2936 PolarHBondContact O-N 2.98Å; M2936-A2938 VanDerWaalsContact C-N 3.29Å; M2936-A2938 PolarHBondContact O-N 3.02Å | ||
| 2937 | S | 27.9 | Very low | 40.2 | Very low | 82.6 Ų | 82.6 | 105.7 Ų | 105.7 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | trans | -26.8 | 74.2 | 162.8 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | M2935 T2939 | M2935-S2937 VanDerWaalsContact C-N 3.29Å; M2935-S2937 PolarHBondContact O-N 3.12Å; M2935-S2937 PolarHBondContact O-OG 3.43Å; S2937-T2939 PolarHBondContact O-N 3.05Å | ||
| 2938 | A | 27.1 | Very low | 37.6 | Very low | 80.4 Ų | 80.4 | 110.3 Ų | 110.3 | 66% | 0.664 | 59% | 0.592 | S | S | * | * | trans | -75.2 | 72.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I2855 M2936 | I2855-A2938 HydrophobicContact CD1-CB 4.26Å; M2936-A2938 VanDerWaalsContact C-N 3.29Å; M2936-A2938 PolarHBondContact O-N 3.02Å | ||
| 2939 | T | 28.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -123.6 | 110.2 | 175.5 | 38.1 | 0 | 0 | 0 | 0 | 110.9 | S2937 V2941 | S2937-T2939 PolarHBondContact O-N 3.05Å; T2939-V2941 PolarHBondContact O-N 2.82Å |
| 2940 | H | 26.5 | Very low | 35 | Very low | 170 Ų | 170 | 119.9 Ų | 119.9 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | trans | 15.3 | 96.4 | 163.8 | -122.9 | -93.5 | 0 | 0 | 0 | 116.6 | L2856 | L2856-H2940 WeakPolarHBondContact CD1-O 3.33Š| ||
| 2941 | V | 29.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | trans | -120.3 | 105.9 | 166.2 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | L2856 T2939 S2943 | L2856-V2941 HydrophobicContact CB-CB 4.17Å; L2856-V2941 HydrophobicContact CB-CG1 3.87Å; L2856-V2941 HydrophobicContact CD1-CB 3.75Å; L2856-V2941 HydrophobicContact CD1-CG1 3.96Å; L2856-V2941 HydrophobicContact CG-CB 3.96Å; L2856-V2941 HydrophobicContact CG-CG1 4.18Å; T2939-V2941 PolarHBondContact O-N 2.82Å; V2941-S2943 PolarHBondContact O-N 3.33Å | ||
| 2942 | S | 27.2 | Very low | 34.5 | Very low | 90.6 Ų | 90.6 | 117.3 Ų | 117.3 | 63% | 0.634 | 64% | 0.636 | S | S | * | * | trans | -67.3 | 127.8 | -177 | -74 | 0 | 0 | 0 | 0 | 114.6 | T2944 | S2942-T2944 PolarHBondContact O-N 3.26Å; S2942-T2944 VanDerWaalsContact O-N 3.13Å | ||
| 2943 | S | 26.1 | Very low | 34.7 | Very low | 117.2 Ų | 117.2 | 118.2 Ų | 118.2 | 82% | 0.82 | 64% | 0.641 | S | S | * | * | trans | 34.8 | 71.4 | 150.7 | -20.9 | 0 | 0 | 0 | 0 | 117.8 | V2941 | V2941-S2943 PolarHBondContact O-N 3.33Š| ||
| 2944 | T | 31.6 | Very low | 35.5 | Very low | 130.8 Ų | 130.8 | 114.7 Ų | 114.7 | 80% | 0.802 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -124.8 | 138.8 | 148.9 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | S2942 K2946 | S2942-T2944 PolarHBondContact O-N 3.26Å; S2942-T2944 VanDerWaalsContact O-N 3.13Å; T2944-K2946 PolarHBondContact O-N 3.38Å |
| 2945 | R | 32.3 | Very low | 36.3 | Very low | 216.6 Ų | 216.6 | 113.4 Ų | 113.4 | 82% | 0.817 | 61% | 0.611 | S | S | * | * | trans | -34.1 | 124.2 | -174 | -59.6 | -176.5 | -175.7 | -176.9 | 2 | 114.7 | N2947 D2948 H2949 E2972 | R2945-N2947 VanDerWaalsContact C-N 3.31Å; R2945-N2947 PolarHBondContact O-N 2.93Å; R2945-D2948 WeakPolarHBondContact CD-OD2 3.29Å; R2945-D2948 IonicContact NH1-OD2 2.69Å; R2945-H2949 PolarHBondContact O-CD2 2.89Å; R2945-E2972 IonicContact CZ-OE2 3.6Å; R2945-E2972 IonicContact NH1-OE2 3.2Å; R2945-E2972 IonicContact NH2-OE2 3.94Å; R2945-E2972 PolarHBondContact NH2-OE2 3.14Å | ||
| 2946 | K | 32.1 | Very low | 36.9 | Very low | 197 Ų | 197 | 109.1 Ų | 109.1 | 86% | 0.857 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -71.3 | 50.2 | -178.6 | -68.5 | -177.1 | 176 | -179.4 | 0 | 114.3 | T2944 R2964 | T2944-K2946 PolarHBondContact O-N 3.38Å; K2946-R2964 PolarHBondContact O-NH1 3.48Å |
| 2947 | N | 32 | Very low | 37.8 | Very low | 122.4 Ų | 122.4 | 109.7 Ų | 109.7 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -129.2 | 19.4 | -170 | -67 | 4.5 | 0 | 0 | 0 | 115.1 | R2945 H2949 M2965 | R2945-N2947 VanDerWaalsContact C-N 3.31Å; R2945-N2947 PolarHBondContact O-N 2.93Å; N2947-H2949 VanDerWaalsContact C-N 3.28Å; N2947-H2949 PolarHBondContact O-N 2.92Å; N2947-M2965 HydrophobicContact CB-CE 4.03Å; N2947-M2965 WeakPolarHBondContact ND2-CE 3.31Å |
| 2948 | D | 31.8 | Very low | 38.9 | Very low | 121.6 Ų | 121.6 | 108.7 Ų | 108.7 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -49.4 | 82.5 | -175.4 | -61.9 | -16.9 | 0 | 0 | 0 | 115.1 | R2945 I2950 R2964 | R2945-D2948 WeakPolarHBondContact CD-OD2 3.29Å; R2945-D2948 IonicContact NH1-OD2 2.69Å; D2948-I2950 VanDerWaalsContact C-N 3.29Å; D2948-I2950 PolarHBondContact O-N 3.49Å; D2948-I2950 VanDerWaalsContact O-N 3.16Å; D2948-R2964 IonicContact OD2-CZ 2.82Å; D2948-R2964 VanDerWaalsContact OD2-CZ 3.27Å; D2948-R2964 IonicContact OD2-NE 2.7Å; D2948-R2964 IonicContact OD2-NH1 3.11Å; D2948-R2964 PolarHBondContact OD2-NH1 2.82Å |
| 2949 | H | 39.2 | Very low | 40.5 | Very low | 152.4 Ų | 152.4 | 105.7 Ų | 105.7 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | trans | -40.1 | 94.2 | 172.6 | -60.5 | -61.7 | 0 | 0 | 0 | 114.7 | R2945 N2947 P2951 | R2945-H2949 PolarHBondContact O-CD2 2.89Å; N2947-H2949 VanDerWaalsContact C-N 3.28Å; N2947-H2949 PolarHBondContact O-N 2.92Å; H2949-P2951 HydrophobicContact CB-CG 4.43Å; H2949-P2951 VanDerWaalsContact O-CD 3.27Å; H2949-P2951 WeakPolarHBondContact O-CD 3.44Å | ||
| 2950 | I | 41.5 | Very low | 42 | Very low | 73.6 Ų | 73.6 | 103.5 Ų | 103.5 | 38% | 0.377 | 55% | 0.551 | S | S | . | * | trans | -92.2 | 109.1 | 171 | -55.5 | 176.5 | 0 | 0 | 0 | 108.4 | W2669 Y2672 M2935 D2948 I2952 T2960 W2961 | W2669-I2950 HydrophobicContact CZ3-CD1 4.47Å; Y2672-I2950 WeakPolarHBondContact OH-CD1 3.4Å; M2935-I2950 WeakPolarHBondContact CE-O 3.22Å; D2948-I2950 VanDerWaalsContact C-N 3.29Å; D2948-I2950 PolarHBondContact O-N 3.49Å; D2948-I2950 VanDerWaalsContact O-N 3.16Å; I2950-I2952 VanDerWaalsContact C-N 3.31Å; I2950-I2952 HydrophobicContact CG2-CB 4.44Å; I2950-I2952 HydrophobicContact CG2-CG1 4.14Å; I2950-I2952 PolarHBondContact O-N 3.16Å; I2950-T2960 VanDerWaalsContact CG2-OG1 3.23Å; I2950-T2960 WeakPolarHBondContact CG2-OG1 3.45Å; I2950-W2961 HydrophobicContact CB-CB 4.24Å; I2950-W2961 HydrophobicContact CD1-CB 4.17Å; I2950-W2961 HydrophobicContact CD1-CG 4.36Å; I2950-W2961 HydrophobicContact CG2-CB 3.9Å | ||
| 2951 | P | 44.9 | Very low | 43.9 | Very low | 95.2 Ų | 95.2 | 97.3 Ų | 97.3 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | trans | -69.5 | 115.5 | 177.1 | 23.1 | -24.2 | 0 | 0 | 0 | 110.7 | H2949 H2953 | H2949-P2951 HydrophobicContact CB-CG 4.43Å; H2949-P2951 VanDerWaalsContact O-CD 3.27Å; H2949-P2951 WeakPolarHBondContact O-CD 3.44Å; P2951-H2953 PolarHBondContact O-N 3.22Å | ||
| 2952 | I | 52.5 | Low | 45.4 | Very low | 65.2 Ų | 65.2 | 92.1 Ų | 92.1 | 33% | 0.334 | 49% | 0.49 | S | S | . | . | trans | -89.3 | 78.9 | 173.4 | -57.6 | 171 | 0 | 0 | 0 | 108 | D2657 A2661 R2664 F2665 S2668 F2932 I2950 M2954 | D2657-I2952 HydrophobicContact CB-CG2 4.48Å; D2657-I2952 VanDerWaalsContact O-CG2 3.31Å; D2657-I2952 WeakPolarHBondContact O-CG2 3.22Å; A2661-I2952 HydrophobicContact CB-CG2 3.61Å; R2664-I2952 VanDerWaalsContact NH1-CD1 3.3Å; F2665-I2952 HydrophobicContact CB-CG2 4.19Å; F2665-I2952 HydrophobicContact CD2-CB 4.16Å; F2665-I2952 HydrophobicContact CD2-CG2 3.97Å; S2668-I2952 VanDerWaalsContact CB-CD1 3.44Å; S2668-I2952 VanDerWaalsContact OG-CD1 3.23Å; S2668-I2952 WeakPolarHBondContact OG-CD1 3.32Å; F2932-I2952 HydrophobicContact CE1-CD1 4.48Å; I2950-I2952 VanDerWaalsContact C-N 3.31Å; I2950-I2952 HydrophobicContact CG2-CB 4.44Å; I2950-I2952 HydrophobicContact CG2-CG1 4.14Å; I2950-I2952 PolarHBondContact O-N 3.16Å; I2952-M2954 PolarHBondContact O-N 3.21Å; I2952-M2954 VanDerWaalsContact O-N 3.16Å | ||
| 2953 | H | 52.7 | Low | 47.1 | Very low | 103 Ų | 103 | 92.6 Ų | 92.6 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | trans | -89.5 | 109.2 | -178.7 | -133.7 | -90.1 | 0 | 0 | 0 | 110 | P2951 N2955 | P2951-H2953 PolarHBondContact O-N 3.22Å; H2953-N2955 WeakPolarHBondContact CE1-CB 3.35Å; H2953-N2955 PolarHBondContact CE1-ND2 2.9Å; H2953-N2955 VanDerWaalsContact CE1-ND2 3.33Å; H2953-N2955 PolarHBondContact CE1-OD1 2.86Å; H2953-N2955 VanDerWaalsContact CE1-OD1 3.24Å; H2953-N2955 WeakPolarHBondContact ND1-CB 3.37Å; H2953-N2955 VanDerWaalsContact ND1-CG 3.29Å; H2953-N2955 PolarHBondContact ND1-N 2.93Å; H2953-N2955 PolarHBondContact ND1-O 3.1Å; H2953-N2955 PolarHBondContact ND1-OD1 3.34Å; H2953-N2955 PolarHBondContact O-N 3.07Å; H2953-N2955 VanDerWaalsContact O-N 3.08Å | ||
| 2954 | M | 56.3 | Low | 48.9 | Very low | 28.2 Ų | 28.2 | 93.3 Ų | 93.3 | 14% | 0.139 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -76.5 | 2 | 176.9 | -76.7 | -130.8 | -92.5 | 0 | 0 | 113.8 | F2230 N2658 A2661 Q2662 F2665 T2777 H2782 P2787 I2952 A2956 | F2230-M2954 HydrophobicContact CE1-CE 3.49Å; F2230-M2954 VanDerWaalsContact CE1-CE 3.49Å; F2230-M2954 HydrophobicContact CZ-CE 3.42Å; F2230-M2954 VanDerWaalsContact CZ-CE 3.42Å; N2658-M2954 PolarHBondContact OD1-O 3.44Å; A2661-M2954 HydrophobicContact CB-CB 4.43Å; A2661-M2954 HydrophobicContact CB-CG 3.73Å; A2661-M2954 VanDerWaalsContact CB-CG 3.46Å; Q2662-M2954 HydrophobicContact CB-SD 4.37Å; Q2662-M2954 HydrophobicContact CG-CE 4.09Å; Q2662-M2954 HydrophobicContact CG-CG 4.14Å; Q2662-M2954 HydrophobicContact CG-SD 4.05Å; Q2662-M2954 WeakPolarHBondContact CG-SD 3.24Å; F2665-M2954 HydrophobicContact CB-CE 3.94Å; F2665-M2954 HydrophobicContact CB-CG 4.09Å; F2665-M2954 HydrophobicContact CB-SD 3.57Å; F2665-M2954 VanDerWaalsContact CB-SD 3.55Å; F2665-M2954 HydrophobicContact CD1-CE 3.94Å; F2665-M2954 HydrophobicContact CD1-CG 4.31Å; F2665-M2954 HydrophobicContact CD1-SD 4.33Å; F2665-M2954 HydrophobicContact CD2-CE 3.91Å; F2665-M2954 HydrophobicContact CD2-CG 3.51Å; F2665-M2954 VanDerWaalsContact CD2-CG 3.46Å; F2665-M2954 HydrophobicContact CD2-SD 4.17Å; F2665-M2954 HydrophobicContact CE1-CE 4.29Å; F2665-M2954 HydrophobicContact CE2-CE 3.97Å; F2665-M2954 HydrophobicContact CE2-CG 4.06Å; F2665-M2954 HydrophobicContact CG-CE 3.75Å; F2665-M2954 HydrophobicContact CG-CG 3.74Å; F2665-M2954 HydrophobicContact CG-SD 3.76Å; F2665-M2954 HydrophobicContact CZ-CE 4.3Å; T2777-M2954 HydrophobicContact CG2-CB 4.19Å; T2777-M2954 HydrophobicContact CG2-CE 4.33Å; T2777-M2954 WeakPolarHBondContact CG2-O 3.37Å; T2777-M2954 HydrophobicContact CG2-SD 3.88Å; H2782-M2954 HydrophobicContact CB-CE 3.94Å; H2782-M2954 HydrophobicContact CB-CG 4.05Å; H2782-M2954 VanDerWaalsContact CD2-CE 3.4Å; H2782-M2954 WeakPolarHBondContact CD2-CE 3.34Å; P2787-M2954 HydrophobicContact CB-CE 3.55Å; P2787-M2954 HydrophobicContact CG-CE 3.79Å; P2787-M2954 HydrophobicContact CG-SD 4.03Å; I2952-M2954 PolarHBondContact O-N 3.21Å; I2952-M2954 VanDerWaalsContact O-N 3.16Å; M2954-A2956 PolarHBondContact O-N 3.19Å |
| 2955 | N | 53.3 | Low | 50.3 | Low | 60.6 Ų | 60.6 | 89.2 Ų | 89.2 | 32% | 0.324 | 44% | 0.439 | S | S | . | . | trans | -79.8 | 83.1 | 174.7 | -138.9 | 0.6 | 0 | 0 | 0 | 111.1 | N2658 T2777 S2778 H2953 M2957 S2958 | N2658-N2955 VanDerWaalsContact OD1-CA 3.3Å; N2658-N2955 WeakPolarHBondContact OD1-CA 3.43Å; N2658-N2955 PolarHBondContact OD1-N 3.18Å; T2777-N2955 WeakPolarHBondContact O-CB 3.25Å; S2778-N2955 PolarHBondContact O-ND2 3.3Å; S2778-N2955 PolarHBondContact O-OD1 3.12Å; H2953-N2955 WeakPolarHBondContact CE1-CB 3.35Å; H2953-N2955 PolarHBondContact CE1-ND2 2.9Å; H2953-N2955 VanDerWaalsContact CE1-ND2 3.33Å; H2953-N2955 PolarHBondContact CE1-OD1 2.86Å; H2953-N2955 VanDerWaalsContact CE1-OD1 3.24Å; H2953-N2955 WeakPolarHBondContact ND1-CB 3.37Å; H2953-N2955 VanDerWaalsContact ND1-CG 3.29Å; H2953-N2955 PolarHBondContact ND1-N 2.93Å; H2953-N2955 PolarHBondContact ND1-O 3.1Å; H2953-N2955 PolarHBondContact ND1-OD1 3.34Å; H2953-N2955 PolarHBondContact O-N 3.07Å; H2953-N2955 VanDerWaalsContact O-N 3.08Å; N2955-M2957 HydrophobicContact CB-CG 4.01Å; N2955-M2957 PolarHBondContact O-N 3.17Å; N2955-M2957 WeakPolarHBondContact OD1-CB 3.41Å; N2955-M2957 PolarHBondContact OD1-N 3.45Å; N2955-S2958 PolarHBondContact O-N 3.34Å; N2955-S2958 PolarHBondContact O-OG 3.18Å | ||
| 2956 | A | 50.6 | Low | 51.6 | Low | 30.4 Ų | 30.4 | 79.5 Ų | 79.5 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | trans | -65 | 46 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N2658 M2954 S2958 S2959 | N2658-A2956 HydrophobicContact CB-CB 4.02Å; N2658-A2956 VanDerWaalsContact CB-CB 3.48Å; M2954-A2956 PolarHBondContact O-N 3.19Å; A2956-S2958 WeakPolarHBondContact CB-O 3.5Å; A2956-S2958 PolarHBondContact O-N 3.12Å; A2956-S2958 VanDerWaalsContact O-N 3.11Å; A2956-S2959 WeakPolarHBondContact O-CB 3.36Å; A2956-S2959 PolarHBondContact O-N 3.29Å; A2956-S2959 VanDerWaalsContact O-N 3.09Å | ||
| 2957 | M | 49 | Very low | 52.5 | Low | 152.2 Ų | 152.2 | 71.8 Ų | 71.8 | 75% | 0.75 | 38% | 0.381 | S | S | * | . | trans | -58.7 | 26.6 | 170.4 | -61.6 | -165.2 | 75.6 | 0 | 0 | 110.8 | N2955 S2959 | N2955-M2957 HydrophobicContact CB-CG 4.01Å; N2955-M2957 PolarHBondContact O-N 3.17Å; N2955-M2957 WeakPolarHBondContact OD1-CB 3.41Å; N2955-M2957 PolarHBondContact OD1-N 3.45Å; M2957-S2959 PolarHBondContact O-N 3.06Å | ||
| 2958 | S | 52.6 | Low | 53.2 | Low | 61.8 Ų | 61.8 | 70.6 Ų | 70.6 | 43% | 0.432 | 37% | 0.374 | S | S | . | . | trans | -85.2 | 102.2 | -175.9 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | N2955 A2956 T2960 E2963 | N2955-S2958 PolarHBondContact O-N 3.34Å; N2955-S2958 PolarHBondContact O-OG 3.18Å; A2956-S2958 WeakPolarHBondContact CB-O 3.5Å; A2956-S2958 PolarHBondContact O-N 3.12Å; A2956-S2958 VanDerWaalsContact O-N 3.11Å; S2958-T2960 VanDerWaalsContact C-N 3.32Å; S2958-T2960 WeakPolarHBondContact O-CG2 3.25Å; S2958-T2960 PolarHBondContact O-N 3.14Å; S2958-E2963 WeakPolarHBondContact CB-OE1 3.38Å; S2958-E2963 VanDerWaalsContact OG-CD 3.29Å; S2958-E2963 PolarHBondContact OG-OE1 3.22Å | ||
| 2959 | S | 59.1 | Low | 53.7 | Low | 17.8 Ų | 17.8 | 70.9 Ų | 70.9 | 12% | 0.124 | 38% | 0.375 | C | S | . | . | trans | -73.5 | 89.7 | 176.3 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | T2653 D2657 A2956 M2957 W2961 G2962 E2963 R3011 | T2653-S2959 WeakPolarHBondContact CG2-OG 3.12Å; D2657-S2959 VanDerWaalsContact OD2-CB 3.26Å; D2657-S2959 WeakPolarHBondContact OD2-CB 3.2Å; D2657-S2959 PolarHBondContact OD2-OG 3.32Å; A2956-S2959 WeakPolarHBondContact O-CB 3.36Å; A2956-S2959 PolarHBondContact O-N 3.29Å; A2956-S2959 VanDerWaalsContact O-N 3.09Å; M2957-S2959 PolarHBondContact O-N 3.06Å; S2959-W2961 PolarHBondContact O-N 3.03Å; S2959-W2961 VanDerWaalsContact O-N 3.14Å; S2959-W2961 PolarHBondContact OG-N 2.59Å; S2959-G2962 CarbonylContact O-C 3.59Å; S2959-G2962 WeakPolarHBondContact O-CA 3.35Å; S2959-G2962 PolarHBondContact O-N 3.32Å; S2959-G2962 PolarHBondContact OG-N 3.39Å; S2959-E2963 WeakPolarHBondContact O-CG 3.18Å; S2959-E2963 PolarHBondContact O-N 2.92Å; S2959-R3011 PolarHBondContact OG-NH2 3.37Å; S2959-R3011 VanDerWaalsContact OG-NH2 3.08Å | ||
| 2960 | T | 61.5 | Low | 53.7 | Low | 56.8 Ų | 56.8 | 69.4 Ų | 69.4 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -1.7 | 172.9 | 53 | 0 | 0 | 0 | 0 | 112.5 | I2950 S2958 G2962 E2963 R2964 | I2950-T2960 VanDerWaalsContact CG2-OG1 3.23Å; I2950-T2960 WeakPolarHBondContact CG2-OG1 3.45Å; S2958-T2960 VanDerWaalsContact C-N 3.32Å; S2958-T2960 WeakPolarHBondContact O-CG2 3.25Å; S2958-T2960 PolarHBondContact O-N 3.14Å; T2960-G2962 PolarHBondContact O-N 3.36Å; T2960-E2963 PolarHBondContact O-N 3.21Å; T2960-R2964 WeakPolarHBondContact O-CA 3.41Å; T2960-R2964 VanDerWaalsContact O-CB 3.28Å; T2960-R2964 WeakPolarHBondContact O-CB 3.44Å; T2960-R2964 VanDerWaalsContact O-CG 3.3Å; T2960-R2964 WeakPolarHBondContact O-CG 3.45Å; T2960-R2964 PolarHBondContact O-N 3Å; T2960-R2964 VanDerWaalsContact O-N 3.09Å; T2960-R2964 PolarHBondContact O-NE 3.07Å; T2960-R2964 VanDerWaalsContact OG1-CZ 3.25Å; T2960-R2964 PolarHBondContact OG1-NE 2.95Å; T2960-R2964 PolarHBondContact OG1-NH2 3.12Å |
| 2961 | W | 65.5 | Low | 53.2 | Low | 38.8 Ų | 38.8 | 70.9 Ų | 70.9 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.8 | -42.4 | 176.4 | -171.3 | 81.5 | 0 | 0 | 0 | 112.1 | W2649 T2653 I2950 S2959 E2963 R2964 M2965 V3002 L3008 R3011 W3012 | W2649-W2961 AromaticContact CE2-CZ3 3.82Å; W2649-W2961 HydrophobicContact CH2-CH2 4.27Å; W2649-W2961 HydrophobicContact CH2-CZ3 4.28Å; W2649-W2961 AromaticContact CZ2-CH2 3.78Å; W2649-W2961 HydrophobicContact CZ2-CH2 3.78Å; W2649-W2961 AromaticContact CZ2-CZ3 3.49Å; W2649-W2961 HydrophobicContact CZ2-CZ3 3.49Å; W2649-W2961 VanDerWaalsContact CZ2-CZ3 3.44Å; W2649-W2961 AromaticContact NE1-CH2 3.88Å; W2649-W2961 AromaticContact NE1-CZ3 3.58Å; W2649-W2961 VanDerWaalsContact NE1-CZ3 3.3Å; T2653-W2961 HydrophobicContact CG2-CE3 4Å; T2653-W2961 HydrophobicContact CG2-CZ3 3.76Å; I2950-W2961 HydrophobicContact CB-CB 4.24Å; I2950-W2961 HydrophobicContact CD1-CB 4.17Å; I2950-W2961 HydrophobicContact CD1-CG 4.36Å; I2950-W2961 HydrophobicContact CG2-CB 3.9Å; S2959-W2961 PolarHBondContact O-N 3.03Å; S2959-W2961 VanDerWaalsContact O-N 3.14Å; S2959-W2961 PolarHBondContact OG-N 2.59Å; W2961-E2963 VanDerWaalsContact C-N 3.31Å; W2961-E2963 PolarHBondContact O-N 3.18Å; W2961-R2964 PolarHBondContact O-N 3.16Å; W2961-M2965 HydrophobicContact CD2-CG 4.22Å; W2961-M2965 HydrophobicContact CE3-CG 4.38Å; W2961-M2965 HydrophobicContact CG-CG 4.48Å; W2961-M2965 HydrophobicContact CH2-CE 4.34Å; W2961-M2965 HydrophobicContact CH2-CG 4.09Å; W2961-M2965 HydrophobicContact CH2-SD 4.48Å; W2961-M2965 HydrophobicContact CZ2-CE 3.89Å; W2961-M2965 HydrophobicContact CZ2-CG 4.11Å; W2961-M2965 HydrophobicContact CZ2-SD 3.76Å; W2961-M2965 HydrophobicContact CZ3-CG 4.37Å; W2961-M2965 VanDerWaalsContact NE1-CE 3.29Å; W2961-M2965 WeakPolarHBondContact O-CB 3.44Å; W2961-M2965 WeakPolarHBondContact O-CG 3.41Å; W2961-M2965 PolarHBondContact O-N 3.07Å; W2961-M2965 VanDerWaalsContact O-N 3.12Å; W2961-V3002 HydrophobicContact CH2-CG1 4.31Å; W2961-V3002 HydrophobicContact CH2-CG2 3.93Å; W2961-V3002 HydrophobicContact CZ2-CG2 4.43Å; W2961-L3008 HydrophobicContact CH2-CD2 3.7Å; W2961-L3008 HydrophobicContact CZ3-CD2 4.22Å; W2961-R3011 VanDerWaalsContact CB-NH2 3.33Å; W2961-R3011 VanDerWaalsContact CD2-CZ 3.5Å; W2961-R3011 VanDerWaalsContact CE3-NH1 3.35Å; W2961-W3012 HydrophobicContact CZ3-CZ2 4.42Å |
| 2962 | G | 62.2 | Low | 52.6 | Low | 2.8 Ų | 2.8 | 74.7 Ų | 74.7 | 3% | 0.029 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64 | -33.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q2650 S2959 T2960 C2966 | Q2650-G2962 WeakPolarHBondContact CG-O 3.46Å; S2959-G2962 CarbonylContact O-C 3.59Å; S2959-G2962 WeakPolarHBondContact O-CA 3.35Å; S2959-G2962 PolarHBondContact O-N 3.32Å; S2959-G2962 PolarHBondContact OG-N 3.39Å; T2960-G2962 PolarHBondContact O-N 3.36Å; G2962-C2966 WeakPolarHBondContact O-CB 3.42Å; G2962-C2966 PolarHBondContact O-N 2.95Å; G2962-C2966 PolarHBondContact O-SG 3.07Å; G2962-C2966 VanDerWaalsContact O-SG 3.36Å |
| 2963 | E | 63 | Low | 51.4 | Low | 100.8 Ų | 100.8 | 78.4 Ų | 78.4 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.8 | -46.2 | 173.3 | -64.8 | 179 | 147 | 0 | 0 | 112.1 | S2958 S2959 T2960 W2961 M2965 C2966 G2967 | S2958-E2963 WeakPolarHBondContact CB-OE1 3.38Å; S2958-E2963 VanDerWaalsContact OG-CD 3.29Å; S2958-E2963 PolarHBondContact OG-OE1 3.22Å; S2959-E2963 WeakPolarHBondContact O-CG 3.18Å; S2959-E2963 PolarHBondContact O-N 2.92Å; T2960-E2963 PolarHBondContact O-N 3.21Å; W2961-E2963 VanDerWaalsContact C-N 3.31Å; W2961-E2963 PolarHBondContact O-N 3.18Å; E2963-M2965 PolarHBondContact O-N 2.74Å; E2963-C2966 CarbonylContact O-C 3.4Å; E2963-C2966 PolarHBondContact O-N 2.99Å; E2963-C2966 VanDerWaalsContact O-N 3.13Å; E2963-G2967 VanDerWaalsContact O-CA 3.24Å; E2963-G2967 WeakPolarHBondContact O-CA 3.31Å; E2963-G2967 PolarHBondContact O-N 3.28Å |
| 2964 | R | 63.4 | Low | 50.2 | Low | 131 Ų | 131 | 78.1 Ų | 78.1 | 49% | 0.494 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 178.9 | -75.7 | -179.4 | -109.4 | -174.5 | -1.3 | 112.9 | K2946 D2948 T2960 W2961 C2966 G2967 I2968 | K2946-R2964 PolarHBondContact O-NH1 3.48Å; D2948-R2964 IonicContact OD2-CZ 2.82Å; D2948-R2964 VanDerWaalsContact OD2-CZ 3.27Å; D2948-R2964 IonicContact OD2-NE 2.7Å; D2948-R2964 IonicContact OD2-NH1 3.11Å; D2948-R2964 PolarHBondContact OD2-NH1 2.82Å; T2960-R2964 WeakPolarHBondContact O-CA 3.41Å; T2960-R2964 VanDerWaalsContact O-CB 3.28Å; T2960-R2964 WeakPolarHBondContact O-CB 3.44Å; T2960-R2964 VanDerWaalsContact O-CG 3.3Å; T2960-R2964 WeakPolarHBondContact O-CG 3.45Å; T2960-R2964 PolarHBondContact O-N 3Å; T2960-R2964 VanDerWaalsContact O-N 3.09Å; T2960-R2964 PolarHBondContact O-NE 3.07Å; T2960-R2964 VanDerWaalsContact OG1-CZ 3.25Å; T2960-R2964 PolarHBondContact OG1-NE 2.95Å; T2960-R2964 PolarHBondContact OG1-NH2 3.12Å; W2961-R2964 PolarHBondContact O-N 3.16Å; R2964-C2966 VanDerWaalsContact C-N 3.27Å; R2964-C2966 PolarHBondContact O-N 2.79Å; R2964-G2967 CarbonylContact O-C 3.5Å; R2964-G2967 VanDerWaalsContact O-C 3.32Å; R2964-G2967 PolarHBondContact O-N 3.19Å; R2964-G2967 VanDerWaalsContact O-N 3.13Å; R2964-I2968 WeakPolarHBondContact O-CG1 3.29Å |
| 2965 | M | 60.2 | Low | 48.9 | Very low | 45.2 Ų | 45.2 | 85.4 Ų | 85.4 | 22% | 0.223 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.8 | -30.2 | 178.8 | -68.7 | -61.1 | -165.5 | 0 | 0 | 113 | N2947 W2961 E2963 G2967 S3001 V3002 | N2947-M2965 HydrophobicContact CB-CE 4.03Å; N2947-M2965 WeakPolarHBondContact ND2-CE 3.31Å; W2961-M2965 HydrophobicContact CD2-CG 4.22Å; W2961-M2965 HydrophobicContact CE3-CG 4.38Å; W2961-M2965 HydrophobicContact CG-CG 4.48Å; W2961-M2965 HydrophobicContact CH2-CE 4.34Å; W2961-M2965 HydrophobicContact CH2-CG 4.09Å; W2961-M2965 HydrophobicContact CH2-SD 4.48Å; W2961-M2965 HydrophobicContact CZ2-CE 3.89Å; W2961-M2965 HydrophobicContact CZ2-CG 4.11Å; W2961-M2965 HydrophobicContact CZ2-SD 3.76Å; W2961-M2965 HydrophobicContact CZ3-CG 4.37Å; W2961-M2965 VanDerWaalsContact NE1-CE 3.29Å; W2961-M2965 WeakPolarHBondContact O-CB 3.44Å; W2961-M2965 WeakPolarHBondContact O-CG 3.41Å; W2961-M2965 PolarHBondContact O-N 3.07Å; W2961-M2965 VanDerWaalsContact O-N 3.12Å; E2963-M2965 PolarHBondContact O-N 2.74Å; M2965-G2967 VanDerWaalsContact C-N 3.33Å; M2965-S3001 VanDerWaalsContact CE-O 3.27Å; M2965-S3001 WeakPolarHBondContact CE-O 3.38Å; M2965-S3001 PolarHBondContact O-OG 3.18Å; M2965-V3002 HydrophobicContact CB-CG2 4.13Å; M2965-V3002 HydrophobicContact CE-CG2 3.89Å; M2965-V3002 HydrophobicContact CG-CG2 4.38Å |
| 2966 | C | 60.5 | Low | 47.9 | Very low | 13 Ų | 13 | 88.8 Ų | 88.8 | 9% | 0.088 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -90.1 | -11.4 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | I2646 W2649 G2962 E2963 R2964 I2968 | I2646-C2966 HydrophobicContact CG2-CB 4.04Å; W2649-C2966 VanDerWaalsContact CD1-SG 3.51Å; G2962-C2966 WeakPolarHBondContact O-CB 3.42Å; G2962-C2966 PolarHBondContact O-N 2.95Å; G2962-C2966 PolarHBondContact O-SG 3.07Å; G2962-C2966 VanDerWaalsContact O-SG 3.36Å; E2963-C2966 CarbonylContact O-C 3.4Å; E2963-C2966 PolarHBondContact O-N 2.99Å; E2963-C2966 VanDerWaalsContact O-N 3.13Å; R2964-C2966 VanDerWaalsContact C-N 3.27Å; R2964-C2966 PolarHBondContact O-N 2.79Å; C2966-I2968 VanDerWaalsContact C-N 3.31Å; C2966-I2968 HydrophobicContact CB-CD1 3.71Å; C2966-I2968 HydrophobicContact CB-CG1 3.85Å; C2966-I2968 PolarHBondContact O-N 3.11Å |
| 2967 | G | 51.3 | Low | 46.8 | Very low | 35.8 Ų | 35.8 | 94.6 Ų | 94.6 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | trans | -119.5 | 31.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2963 R2964 M2965 N2969 | E2963-G2967 VanDerWaalsContact O-CA 3.24Å; E2963-G2967 WeakPolarHBondContact O-CA 3.31Å; E2963-G2967 PolarHBondContact O-N 3.28Å; R2964-G2967 CarbonylContact O-C 3.5Å; R2964-G2967 VanDerWaalsContact O-C 3.32Å; R2964-G2967 PolarHBondContact O-N 3.19Å; R2964-G2967 VanDerWaalsContact O-N 3.13Å; M2965-G2967 VanDerWaalsContact C-N 3.33Å; G2967-N2969 VanDerWaalsContact C-N 3.33Å; G2967-N2969 PolarHBondContact O-N 3.04Å; G2967-N2969 VanDerWaalsContact O-N 3.1Å | ||
| 2968 | I | 46.8 | Very low | 46.1 | Very low | 97.4 Ų | 97.4 | 95.4 Ų | 95.4 | 50% | 0.499 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -66.7 | 78.9 | 170.1 | -57.5 | 177.9 | 0 | 0 | 0 | 109.1 | R2964 C2966 V2970 | R2964-I2968 WeakPolarHBondContact O-CG1 3.29Å; C2966-I2968 VanDerWaalsContact C-N 3.31Å; C2966-I2968 HydrophobicContact CB-CD1 3.71Å; C2966-I2968 HydrophobicContact CB-CG1 3.85Å; C2966-I2968 PolarHBondContact O-N 3.11Å; I2968-V2970 PolarHBondContact O-N 2.95Å |
| 2969 | N | 41.1 | Very low | 45 | Very low | 126.4 Ų | 126.4 | 97.2 Ų | 97.2 | 68% | 0.676 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 18.9 | 80.8 | -179.7 | -63 | -1 | 0 | 0 | 0 | 115.1 | G2967 T2971 | G2967-N2969 VanDerWaalsContact C-N 3.33Å; G2967-N2969 PolarHBondContact O-N 3.04Å; G2967-N2969 VanDerWaalsContact O-N 3.1Å; N2969-T2971 WeakPolarHBondContact CB-O 3.5Å; N2969-T2971 VanDerWaalsContact CB-OG1 3.27Å; N2969-T2971 WeakPolarHBondContact CB-OG1 3.36Å; N2969-T2971 VanDerWaalsContact CG-OG1 3.25Å; N2969-T2971 PolarHBondContact OD1-OG1 3.39Å |
| 2970 | V | 38.9 | Very low | 43.7 | Very low | 121 Ų | 121 | 104.4 Ų | 104.4 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | trans | -101.3 | 5.3 | 155.6 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | I2968 E2972 | I2968-V2970 PolarHBondContact O-N 2.95Å; V2970-E2972 VanDerWaalsContact C-N 3.34Å; V2970-E2972 PolarHBondContact O-N 2.94Å; V2970-E2972 VanDerWaalsContact O-N 3.11Å | ||
| 2971 | T | 32.4 | Very low | 42.2 | Very low | 106.2 Ų | 106.2 | 109.4 Ų | 109.4 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -87.7 | 114.1 | 169.2 | 35.3 | 0 | 0 | 0 | 0 | 109.9 | N2969 I2973 | N2969-T2971 WeakPolarHBondContact CB-O 3.5Å; N2969-T2971 VanDerWaalsContact CB-OG1 3.27Å; N2969-T2971 WeakPolarHBondContact CB-OG1 3.36Å; N2969-T2971 VanDerWaalsContact CG-OG1 3.25Å; N2969-T2971 PolarHBondContact OD1-OG1 3.39Å; T2971-I2973 PolarHBondContact O-N 2.7Å |
| 2972 | E | 30.7 | Very low | 40.8 | Very low | 173.4 Ų | 173.4 | 112.4 Ų | 112.4 | 81% | 0.81 | 60% | 0.597 | S | S | * | * | trans | 60.3 | 80.4 | 166.2 | -66.8 | 177.5 | -176.3 | 0 | 0 | 113.9 | R2945 V2970 P2974 | R2945-E2972 IonicContact CZ-OE2 3.6Å; R2945-E2972 IonicContact NH1-OE2 3.2Å; R2945-E2972 IonicContact NH2-OE2 3.94Å; R2945-E2972 PolarHBondContact NH2-OE2 3.14Å; V2970-E2972 VanDerWaalsContact C-N 3.34Å; V2970-E2972 PolarHBondContact O-N 2.94Å; V2970-E2972 VanDerWaalsContact O-N 3.11Å; E2972-P2974 VanDerWaalsContact O-CD 3.22Å; E2972-P2974 WeakPolarHBondContact O-CD 3.33Å | ||
| 2973 | I | 28.7 | Very low | 39.6 | Very low | 143.8 Ų | 143.8 | 120.7 Ų | 120.7 | 74% | 0.737 | 64% | 0.635 | S | S | * | * | trans | -71.2 | 118.1 | 143.8 | -61.7 | 175.8 | 0 | 0 | 0 | 105.7 | T2971 F2975 | T2971-I2973 PolarHBondContact O-N 2.7Å; I2973-F2975 PolarHBondContact O-N 3.26Å; I2973-F2975 VanDerWaalsContact O-N 3.12Å | ||
| 2974 | P | 27.5 | Very low | 38.8 | Very low | 96.6 Ų | 96.6 | 126.4 Ų | 126.4 | 63% | 0.627 | 65% | 0.654 | S | S | * | * | trans | -66.2 | 118.9 | 175.8 | 27.5 | -33.2 | 0 | 0 | 0 | 108.8 | E2972 I2976 | E2972-P2974 VanDerWaalsContact O-CD 3.22Å; E2972-P2974 WeakPolarHBondContact O-CD 3.33Å; P2974-I2976 VanDerWaalsContact C-N 3.3Å; P2974-I2976 HydrophobicContact CB-CG1 4.22Å; P2974-I2976 HydrophobicContact CG-CD1 4.5Å; P2974-I2976 HydrophobicContact CG-CG1 4.43Å; P2974-I2976 PolarHBondContact O-N 3.19Å | ||
| 2975 | F | 27.6 | Very low | 38.3 | Very low | 180.8 Ų | 180.8 | 123.3 Ų | 123.3 | 79% | 0.793 | 65% | 0.647 | S | S | * | * | trans | -67.1 | 79.6 | 174.8 | -101.7 | -93.2 | 0 | 0 | 0 | 110.5 | I2973 N2977 | I2973-F2975 PolarHBondContact O-N 3.26Å; I2973-F2975 VanDerWaalsContact O-N 3.12Å; F2975-N2977 PolarHBondContact O-N 2.92Å; F2975-N2977 VanDerWaalsContact O-N 3.12Å | ||
| 2976 | I | 33.3 | Very low | 38.2 | Very low | 133.8 Ų | 133.8 | 125 Ų | 125 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | trans | -71.8 | 108.8 | 167.1 | -61.9 | -179.7 | 0 | 0 | 0 | 107 | P2974 Q2978 | P2974-I2976 VanDerWaalsContact C-N 3.3Å; P2974-I2976 HydrophobicContact CB-CG1 4.22Å; P2974-I2976 HydrophobicContact CG-CD1 4.5Å; P2974-I2976 HydrophobicContact CG-CG1 4.43Å; P2974-I2976 PolarHBondContact O-N 3.19Å; I2976-Q2978 VanDerWaalsContact C-N 3.31Å; I2976-Q2978 HydrophobicContact CG2-CG 4.3Å; I2976-Q2978 PolarHBondContact O-N 3.11Å; I2976-Q2978 VanDerWaalsContact O-N 3.13Å | ||
| 2977 | N | 28 | Very low | 38.5 | Very low | 150.6 Ų | 150.6 | 128.5 Ų | 128.5 | 81% | 0.805 | 68% | 0.68 | S | S | * | * | trans | -68.5 | 88.4 | 178.3 | -79.1 | -52.7 | 0 | 0 | 0 | 110.9 | F2975 | F2975-N2977 PolarHBondContact O-N 2.92Å; F2975-N2977 VanDerWaalsContact O-N 3.12Å | ||
| 2978 | Q | 32.7 | Very low | 39.4 | Very low | 170.6 Ų | 170.6 | 130.4 Ų | 130.4 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | trans | -137.8 | 124.1 | 160 | -86.1 | 176.9 | 51.5 | 0 | 0 | 111.6 | I2976 | I2976-Q2978 VanDerWaalsContact C-N 3.31Å; I2976-Q2978 HydrophobicContact CG2-CG 4.3Å; I2976-Q2978 PolarHBondContact O-N 3.11Å; I2976-Q2978 VanDerWaalsContact O-N 3.13Å | ||
| 2979 | S | 30.9 | Very low | 40.6 | Very low | 98.6 Ų | 98.6 | 128.1 Ų | 128.1 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | trans | -0.3 | 131.8 | 168.5 | 51.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2980 | H | 31.8 | Very low | 42.1 | Very low | 169.8 Ų | 169.8 | 127 Ų | 127 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 69.3 | 121.6 | 161.5 | -58.5 | -77.1 | 0 | 0 | 0 | 118.6 | ||
| 2981 | N | 30.2 | Very low | 44 | Very low | 161.4 Ų | 161.4 | 127 Ų | 127 | 86% | 0.863 | 66% | 0.655 | S | S | * | * | trans | 62.6 | 74.8 | 149.4 | -56 | 5.5 | 0 | 0 | 0 | 117.2 | ||||
| 2982 | S | 35.8 | Very low | 46.3 | Very low | 101.8 Ų | 101.8 | 123.6 Ų | 123.6 | 71% | 0.712 | 63% | 0.632 | S | S | * | * | trans | -123.1 | 133.3 | 151.2 | -171 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2983 | E | 37.6 | Very low | 48.6 | Very low | 177 Ų | 177 | 116.7 Ų | 116.7 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 143.1 | -179.1 | -106.6 | 170.2 | 126.5 | 0 | 0 | 111.5 | L2985 | E2983-L2985 PolarHBondContact O-N 3.23Š|
| 2984 | Y | 45.1 | Very low | 51.1 | Low | 219.4 Ų | 219.4 | 112.3 Ų | 112.3 | 86% | 0.86 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 122 | -179.4 | -74.5 | -93.6 | 0 | 0 | 0 | 110.4 | N2986 | Y2984-N2986 PolarHBondContact O-N 2.94Š|
| 2985 | L | 53 | Low | 53.8 | Low | 66.6 Ų | 66.6 | 107.7 Ų | 107.7 | 35% | 0.349 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 126.6 | 167.6 | -129.5 | 82.6 | 0 | 0 | 0 | 109.2 | L2827 V2832 E2983 T2989 Q2990 | L2827-L2985 HydrophobicContact CD1-CD1 4.36Å; L2827-L2985 HydrophobicContact CD2-CD1 4.22Å; L2827-L2985 HydrophobicContact CG-CD1 4.49Å; V2832-L2985 HydrophobicContact CG1-CD1 4.26Å; V2832-L2985 HydrophobicContact CG2-CD1 4.35Å; E2983-L2985 PolarHBondContact O-N 3.23Å; L2985-T2989 WeakPolarHBondContact CD2-OG1 3.34Å; L2985-T2989 WeakPolarHBondContact CG-OG1 3.43Å; L2985-Q2990 HydrophobicContact CB-CG 4.45Å; L2985-Q2990 HydrophobicContact CD2-CG 3.96Å |
| 2986 | N | 58.7 | Low | 56.4 | Low | 80.8 Ų | 80.8 | 99.1 Ų | 99.1 | 43% | 0.432 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 127.5 | 178.1 | 176.9 | 10.7 | 0 | 0 | 0 | 109.8 | Y2984 D2988 T2989 Q2990 | Y2984-N2986 PolarHBondContact O-N 2.94Å; N2986-D2988 PolarHBondContact ND2-OD2 2.98Å; N2986-D2988 PolarHBondContact O-N 2.99Å; N2986-D2988 VanDerWaalsContact O-N 3.09Å; N2986-D2988 PolarHBondContact OD1-N 3.25Å; N2986-D2988 VanDerWaalsContact OD1-N 3.08Å; N2986-D2988 PolarHBondContact OD1-OD2 3.1Å; N2986-T2989 HydrophobicContact CB-CG2 4.35Å; N2986-T2989 WeakPolarHBondContact O-CA 3.11Å; N2986-T2989 WeakPolarHBondContact O-CB 3.35Å; N2986-T2989 PolarHBondContact O-N 3.28Å; N2986-T2989 PolarHBondContact O-OG1 3.42Å; N2986-Q2990 PolarHBondContact O-N 3.23Å |
| 2987 | P | 67.3 | Low | 58.7 | Low | 87.6 Ų | 87.6 | 96.7 Ų | 96.7 | 57% | 0.569 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -52.2 | -31.6 | -178.5 | 17.8 | -33.2 | 0 | 0 | 0 | 114.4 | T2989 Q2990 Q2991 | P2987-T2989 VanDerWaalsContact C-N 3.27Å; P2987-T2989 PolarHBondContact O-N 3.02Å; P2987-Q2990 WeakPolarHBondContact O-CB 3.44Å; P2987-Q2990 PolarHBondContact O-N 2.97Å; P2987-Q2990 VanDerWaalsContact O-N 3.14Å; P2987-Q2991 WeakPolarHBondContact O-CB 3.26Å; P2987-Q2991 PolarHBondContact O-N 3.26Å; P2987-Q2991 VanDerWaalsContact O-N 3.1Å |
| 2988 | D | 69.5 | Low | 61.4 | Low | 74.4 Ų | 74.4 | 89.6 Ų | 89.6 | 40% | 0.398 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56 | -41.7 | 173.9 | -58.5 | -29.2 | 0 | 0 | 0 | 111.7 | I2604 N2986 Q2991 L2992 | I2604-D2988 WeakPolarHBondContact CD1-OD1 3.41Å; N2986-D2988 PolarHBondContact ND2-OD2 2.98Å; N2986-D2988 PolarHBondContact O-N 2.99Å; N2986-D2988 VanDerWaalsContact O-N 3.09Å; N2986-D2988 PolarHBondContact OD1-N 3.25Å; N2986-D2988 VanDerWaalsContact OD1-N 3.08Å; N2986-D2988 PolarHBondContact OD1-OD2 3.1Å; D2988-Q2991 PolarHBondContact O-N 3Å; D2988-L2992 WeakPolarHBondContact O-CB 3.49Å; D2988-L2992 VanDerWaalsContact O-CG 3.25Å; D2988-L2992 WeakPolarHBondContact O-CG 3.37Å; D2988-L2992 PolarHBondContact O-N 3.11Å; D2988-L2992 VanDerWaalsContact O-N 3.08Å |
| 2989 | T | 72.6 | Confident | 63.8 | Low | 49.4 Ų | 49.4 | 81.5 Ų | 81.5 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72 | -33.4 | -179 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | L2827 L2985 N2986 P2987 L2992 L2993 | L2827-T2989 HydrophobicContact CD1-CG2 4.2Å; L2827-T2989 HydrophobicContact CD2-CG2 3.97Å; L2827-T2989 HydrophobicContact CG-CG2 4.24Å; L2985-T2989 WeakPolarHBondContact CD2-OG1 3.34Å; L2985-T2989 WeakPolarHBondContact CG-OG1 3.43Å; N2986-T2989 HydrophobicContact CB-CG2 4.35Å; N2986-T2989 WeakPolarHBondContact O-CA 3.11Å; N2986-T2989 WeakPolarHBondContact O-CB 3.35Å; N2986-T2989 PolarHBondContact O-N 3.28Å; N2986-T2989 PolarHBondContact O-OG1 3.42Å; P2987-T2989 VanDerWaalsContact C-N 3.27Å; P2987-T2989 PolarHBondContact O-N 3.02Å; T2989-L2992 PolarHBondContact O-N 2.9Å; T2989-L2993 WeakPolarHBondContact O-CB 3.32Å; T2989-L2993 PolarHBondContact O-N 3.29Å |
| 2990 | Q | 72.3 | Confident | 66.2 | Low | 104.4 Ų | 104.4 | 78.6 Ų | 78.6 | 49% | 0.488 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 173.2 | -80.1 | -175.3 | -10.8 | 0 | 0 | 110.8 | L2985 N2986 P2987 L2992 L2993 T2994 | L2985-Q2990 HydrophobicContact CB-CG 4.45Å; L2985-Q2990 HydrophobicContact CD2-CG 3.96Å; N2986-Q2990 PolarHBondContact O-N 3.23Å; P2987-Q2990 WeakPolarHBondContact O-CB 3.44Å; P2987-Q2990 PolarHBondContact O-N 2.97Å; P2987-Q2990 VanDerWaalsContact O-N 3.14Å; Q2990-L2992 VanDerWaalsContact C-N 3.34Å; Q2990-L2992 PolarHBondContact O-N 2.99Å; Q2990-L2993 PolarHBondContact O-N 3.02Å; Q2990-L2993 VanDerWaalsContact O-N 3.16Å; Q2990-T2994 WeakPolarHBondContact O-CB 3.39Å; Q2990-T2994 PolarHBondContact O-N 3.13Å; Q2990-T2994 PolarHBondContact O-OG1 3.19Å; Q2990-T2994 VanDerWaalsContact O-OG1 3.13Å |
| 2991 | Q | 77.7 | Confident | 68.3 | Low | 119.8 Ų | 119.8 | 72.7 Ų | 72.7 | 56% | 0.56 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 177.6 | -158.5 | 173.4 | 38.3 | 0 | 0 | 112.1 | A2643 P2987 D2988 L2993 T2994 G2995 | A2643-Q2991 HydrophobicContact CB-CG 3.85Å; P2987-Q2991 WeakPolarHBondContact O-CB 3.26Å; P2987-Q2991 PolarHBondContact O-N 3.26Å; P2987-Q2991 VanDerWaalsContact O-N 3.1Å; D2988-Q2991 PolarHBondContact O-N 3Å; Q2991-L2993 VanDerWaalsContact C-N 3.34Å; Q2991-T2994 PolarHBondContact O-N 3.1Å; Q2991-G2995 PolarHBondContact O-N 3.07Å |
| 2992 | L | 81.1 | Confident | 70.3 | Confident | 34.8 Ų | 34.8 | 65 Ų | 65 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 173.2 | -72.1 | 169 | 0 | 0 | 0 | 111.9 | Q2636 A2639 L2823 D2988 T2989 Q2990 T2994 G2995 A2996 | Q2636-L2992 HydrophobicContact CG-CD1 4.33Å; Q2636-L2992 VanDerWaalsContact O-CD2 3.29Å; Q2636-L2992 WeakPolarHBondContact O-CD2 3.34Å; A2639-L2992 HydrophobicContact CB-CB 4.34Å; A2639-L2992 HydrophobicContact CB-CD2 3.99Å; L2823-L2992 HydrophobicContact CD1-CB 4.38Å; D2988-L2992 WeakPolarHBondContact O-CB 3.49Å; D2988-L2992 VanDerWaalsContact O-CG 3.25Å; D2988-L2992 WeakPolarHBondContact O-CG 3.37Å; D2988-L2992 PolarHBondContact O-N 3.11Å; D2988-L2992 VanDerWaalsContact O-N 3.08Å; T2989-L2992 PolarHBondContact O-N 2.9Å; Q2990-L2992 VanDerWaalsContact C-N 3.34Å; Q2990-L2992 PolarHBondContact O-N 2.99Å; L2992-T2994 VanDerWaalsContact C-N 3.29Å; L2992-T2994 PolarHBondContact O-N 3.05Å; L2992-G2995 PolarHBondContact O-N 3.24Å; L2992-A2996 PolarHBondContact O-N 3.18Å |
| 2993 | L | 79.6 | Confident | 71.7 | Confident | 28.2 Ų | 28.2 | 60.3 Ų | 60.3 | 15% | 0.148 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 178.6 | -173.5 | 61.7 | 0 | 0 | 0 | 112.1 | T2820 N2824 L2836 T2989 Q2990 Q2991 A2996 K2997 | T2820-L2993 HydrophobicContact CG2-CD1 3.89Å; N2824-L2993 VanDerWaalsContact OD1-CD1 3.28Å; N2824-L2993 WeakPolarHBondContact OD1-CD1 3.39Å; L2836-L2993 HydrophobicContact CD2-CD2 4.37Å; T2989-L2993 WeakPolarHBondContact O-CB 3.32Å; T2989-L2993 PolarHBondContact O-N 3.29Å; Q2990-L2993 PolarHBondContact O-N 3.02Å; Q2990-L2993 VanDerWaalsContact O-N 3.16Å; Q2991-L2993 VanDerWaalsContact C-N 3.34Å; L2993-A2996 PolarHBondContact O-N 3.2Å; L2993-K2997 WeakPolarHBondContact O-CB 3.37Å; L2993-K2997 WeakPolarHBondContact O-CG 3.21Å; L2993-K2997 PolarHBondContact O-N 3.23Å |
| 2994 | T | 81.6 | Confident | 73.3 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 172.8 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | I2646 Q2990 Q2991 L2992 A2996 K2997 F2998 | I2646-T2994 HydrophobicContact CD1-CG2 3.91Å; Q2990-T2994 WeakPolarHBondContact O-CB 3.39Å; Q2990-T2994 PolarHBondContact O-N 3.13Å; Q2990-T2994 PolarHBondContact O-OG1 3.19Å; Q2990-T2994 VanDerWaalsContact O-OG1 3.13Å; Q2991-T2994 PolarHBondContact O-N 3.1Å; L2992-T2994 VanDerWaalsContact C-N 3.29Å; L2992-T2994 PolarHBondContact O-N 3.05Å; T2994-A2996 PolarHBondContact O-N 3.05Å; T2994-K2997 PolarHBondContact O-N 3.12Å; T2994-F2998 WeakPolarHBondContact O-CB 3.25Å; T2994-F2998 PolarHBondContact O-N 3.18Å |
| 2995 | G | 82.7 | Confident | 74.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q2991 L2992 L2999 | Q2991-G2995 PolarHBondContact O-N 3.07Å; L2992-G2995 PolarHBondContact O-N 3.24Å; G2995-L2999 WeakPolarHBondContact O-CG 3.36Å; G2995-L2999 PolarHBondContact O-N 3.16Å; G2995-L2999 VanDerWaalsContact O-N 3.14Å |
| 2996 | A | 82.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2639 I2819 T2820 L2823 L2992 L2993 T2994 F2998 L2999 D3000 | A2639-A2996 HydrophobicContact CB-CB 4.23Å; I2819-A2996 HydrophobicContact CB-CB 4.35Å; I2819-A2996 HydrophobicContact CG2-CB 4.19Å; T2820-A2996 VanDerWaalsContact OG1-C 3.29Å; T2820-A2996 PolarHBondContact OG1-O 3.15Å; L2823-A2996 HydrophobicContact CD1-CB 3.74Å; L2992-A2996 PolarHBondContact O-N 3.18Å; L2993-A2996 PolarHBondContact O-N 3.2Å; T2994-A2996 PolarHBondContact O-N 3.05Å; A2996-F2998 VanDerWaalsContact C-N 3.29Å; A2996-F2998 PolarHBondContact O-N 3.11Å; A2996-L2999 PolarHBondContact O-N 3.13Å; A2996-D3000 WeakPolarHBondContact O-CB 3.37Å; A2996-D3000 VanDerWaalsContact O-CG 3.27Å; A2996-D3000 PolarHBondContact O-N 3.19Å |
| 2997 | K | 81.8 | Confident | 75.8 | Confident | 84.4 Ų | 84.4 | 43.7 Ų | 43.7 | 37% | 0.367 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -39.6 | 175.3 | -75.9 | -179.4 | 176.1 | -172.1 | 0 | 112.3 | T2820 L2993 T2994 D3000 S3001 | T2820-K2997 HydrophobicContact CG2-CG 4.08Å; T2820-K2997 PolarHBondContact OG1-N 2.99Å; L2993-K2997 WeakPolarHBondContact O-CB 3.37Å; L2993-K2997 WeakPolarHBondContact O-CG 3.21Å; L2993-K2997 PolarHBondContact O-N 3.23Å; T2994-K2997 PolarHBondContact O-N 3.12Å; K2997-D3000 PolarHBondContact O-N 2.98Å; K2997-S3001 WeakPolarHBondContact O-CB 3.38Å; K2997-S3001 PolarHBondContact O-N 3.24Å; K2997-S3001 VanDerWaalsContact O-N 3.12Å; K2997-S3001 PolarHBondContact O-OG 2.96Å |
| 2998 | F | 85 | Confident | 76.4 | Confident | 1.2 Ų | 1.2 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 174.6 | 160.5 | -106.1 | 0 | 0 | 0 | 111.8 | G2642 L2645 I2646 W2649 F2808 T2994 A2996 D3000 S3001 V3002 | G2642-F2998 VanDerWaalsContact O-CD1 3.27Å; G2642-F2998 WeakPolarHBondContact O-CD1 3.39Å; L2645-F2998 HydrophobicContact CB-CE1 3.74Å; L2645-F2998 HydrophobicContact CB-CZ 4.21Å; L2645-F2998 HydrophobicContact CD1-CE1 4.46Å; I2646-F2998 HydrophobicContact CD1-CB 4.03Å; I2646-F2998 HydrophobicContact CD1-CG 4.28Å; I2646-F2998 HydrophobicContact CG1-CB 4.02Å; I2646-F2998 HydrophobicContact CG1-CD1 3.97Å; I2646-F2998 HydrophobicContact CG1-CD2 4.06Å; I2646-F2998 HydrophobicContact CG1-CE1 4.49Å; I2646-F2998 HydrophobicContact CG1-CG 3.71Å; W2649-F2998 HydrophobicContact CB-CE2 3.83Å; W2649-F2998 HydrophobicContact CB-CZ 3.94Å; W2649-F2998 AromaticContact CD1-CE2 3.53Å; W2649-F2998 AromaticContact CD2-CE2 3.97Å; W2649-F2998 HydrophobicContact CD2-CE2 4.03Å; W2649-F2998 HydrophobicContact CD2-CZ 4.3Å; W2649-F2998 AromaticContact CG-CE2 3.49Å; W2649-F2998 HydrophobicContact CG-CE2 3.49Å; W2649-F2998 VanDerWaalsContact CG-CE2 3.48Å; W2649-F2998 AromaticContact CG-CZ 3.92Å; W2649-F2998 HydrophobicContact CG-CZ 3.92Å; W2649-F2998 AromaticContact NE1-CE2 3.96Å; F2808-F2998 HydrophobicContact CE1-CZ 4.4Å; F2808-F2998 HydrophobicContact CZ-CZ 4.26Å; T2994-F2998 WeakPolarHBondContact O-CB 3.25Å; T2994-F2998 PolarHBondContact O-N 3.18Å; A2996-F2998 VanDerWaalsContact C-N 3.29Å; A2996-F2998 PolarHBondContact O-N 3.11Å; F2998-D3000 PolarHBondContact O-N 2.9Å; F2998-S3001 PolarHBondContact O-N 3.01Å; F2998-S3001 PolarHBondContact O-OG 3.17Å; F2998-S3001 VanDerWaalsContact O-OG 3.08Å; F2998-V3002 HydrophobicContact CD2-CB 4.32Å; F2998-V3002 HydrophobicContact CD2-CG2 3.82Å; F2998-V3002 HydrophobicContact CE2-CB 4.06Å; F2998-V3002 HydrophobicContact CE2-CG1 4.17Å; F2998-V3002 HydrophobicContact CE2-CG2 3.7Å; F2998-V3002 HydrophobicContact CZ-CG1 4.48Å; F2998-V3002 WeakPolarHBondContact O-CB 3.38Å; F2998-V3002 WeakPolarHBondContact O-CG2 3.21Å; F2998-V3002 PolarHBondContact O-N 2.98Å |
| 2999 | L | 84.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 179.5 | -68.6 | 177 | 0 | 0 | 0 | 112.3 | V2638 L2645 F2807 F2808 F2811 I2819 G2995 A2996 S3001 G3003 | V2638-L2999 HydrophobicContact CG1-CD1 3.91Å; V2638-L2999 WeakPolarHBondContact O-CD1 3.28Å; L2645-L2999 HydrophobicContact CD1-CD2 4.45Å; F2807-L2999 HydrophobicContact CE1-CD2 3.72Å; F2807-L2999 HydrophobicContact CZ-CD2 4.17Å; F2808-L2999 HydrophobicContact CE1-CD2 4.34Å; F2811-L2999 HydrophobicContact CD1-CB 4.49Å; F2811-L2999 HydrophobicContact CD2-CB 4.45Å; F2811-L2999 HydrophobicContact CD2-CD1 4.28Å; F2811-L2999 HydrophobicContact CE1-CB 4.02Å; F2811-L2999 VanDerWaalsContact CE1-O 3.27Å; F2811-L2999 WeakPolarHBondContact CE1-O 3.36Å; F2811-L2999 HydrophobicContact CE2-CB 3.93Å; F2811-L2999 HydrophobicContact CE2-CD1 3.9Å; F2811-L2999 HydrophobicContact CE2-CG 4.28Å; F2811-L2999 HydrophobicContact CZ-CB 3.62Å; F2811-L2999 HydrophobicContact CZ-CD1 4.46Å; I2819-L2999 HydrophobicContact CD1-CB 4.26Å; I2819-L2999 HydrophobicContact CD1-CD1 3.59Å; G2995-L2999 WeakPolarHBondContact O-CG 3.36Å; G2995-L2999 PolarHBondContact O-N 3.16Å; G2995-L2999 VanDerWaalsContact O-N 3.14Å; A2996-L2999 PolarHBondContact O-N 3.13Å; L2999-S3001 VanDerWaalsContact C-N 3.3Å; L2999-S3001 PolarHBondContact O-N 3.19Å; L2999-G3003 VanDerWaalsContact O-CA 3.25Å; L2999-G3003 WeakPolarHBondContact O-CA 3.35Å; L2999-G3003 PolarHBondContact O-N 2.91Å |
| 3000 | D | 80.1 | Confident | 76.9 | Confident | 38.6 Ų | 38.6 | 36.1 Ų | 36.1 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -29.1 | -180 | -67 | -6.1 | 0 | 0 | 0 | 112.9 | G2818 I2819 T2820 A2996 K2997 F2998 H3004 | G2818-D3000 VanDerWaalsContact CA-CG 3.48Å; G2818-D3000 WeakPolarHBondContact CA-OD1 3.37Å; I2819-D3000 VanDerWaalsContact N-CG 3.33Å; I2819-D3000 PolarHBondContact N-OD1 3.18Å; I2819-D3000 PolarHBondContact N-OD2 2.99Å; I2819-D3000 VanDerWaalsContact N-OD2 3.13Å; T2820-D3000 WeakPolarHBondContact CA-OD2 3.4Å; T2820-D3000 WeakPolarHBondContact CB-OD2 3.34Å; T2820-D3000 PolarHBondContact N-OD2 3.25Å; T2820-D3000 PolarHBondContact OG1-OD2 3.01Å; A2996-D3000 WeakPolarHBondContact O-CB 3.37Å; A2996-D3000 VanDerWaalsContact O-CG 3.27Å; A2996-D3000 PolarHBondContact O-N 3.19Å; K2997-D3000 PolarHBondContact O-N 2.98Å; F2998-D3000 PolarHBondContact O-N 2.9Å; D3000-H3004 PolarHBondContact O-CE1 3.15Å |
| 3001 | S | 75.8 | Confident | 77.3 | Confident | 44 Ų | 44 | 33 Ų | 33 | 31% | 0.308 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -83.9 | -44.8 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | M2965 K2997 F2998 L2999 | M2965-S3001 VanDerWaalsContact CE-O 3.27Å; M2965-S3001 WeakPolarHBondContact CE-O 3.38Å; M2965-S3001 PolarHBondContact O-OG 3.18Å; K2997-S3001 WeakPolarHBondContact O-CB 3.38Å; K2997-S3001 PolarHBondContact O-N 3.24Å; K2997-S3001 VanDerWaalsContact O-N 3.12Å; K2997-S3001 PolarHBondContact O-OG 2.96Å; F2998-S3001 PolarHBondContact O-N 3.01Å; F2998-S3001 PolarHBondContact O-OG 3.17Å; F2998-S3001 VanDerWaalsContact O-OG 3.08Å; L2999-S3001 VanDerWaalsContact C-N 3.3Å; L2999-S3001 PolarHBondContact O-N 3.19Å |
| 3002 | V | 73 | Confident | 77.7 | Confident | 0.5 Ų | 0.5 | 27.3 Ų | 27.3 | 0% | 0.003 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -84.9 | -19 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 113 | W2649 F2808 W2961 M2965 F2998 H3004 L3008 | W2649-V3002 HydrophobicContact CD2-CG1 4.2Å; W2649-V3002 HydrophobicContact CE3-CG1 4.38Å; W2649-V3002 HydrophobicContact CH2-CG1 3.77Å; W2649-V3002 HydrophobicContact CZ2-CB 4.46Å; W2649-V3002 HydrophobicContact CZ2-CG1 3.31Å; W2649-V3002 HydrophobicContact CZ2-CG2 4.32Å; W2649-V3002 HydrophobicContact CZ3-CG1 4.28Å; F2808-V3002 HydrophobicContact CD1-CG1 4.34Å; F2808-V3002 HydrophobicContact CD2-CG1 4.17Å; F2808-V3002 HydrophobicContact CE1-CB 4.41Å; F2808-V3002 HydrophobicContact CE1-CG1 3.8Å; F2808-V3002 HydrophobicContact CE2-CG1 3.87Å; F2808-V3002 HydrophobicContact CG-CG1 4.47Å; F2808-V3002 HydrophobicContact CZ-CB 4.43Å; F2808-V3002 HydrophobicContact CZ-CG1 3.48Å; F2808-V3002 VanDerWaalsContact CZ-CG1 3.45Å; W2961-V3002 HydrophobicContact CH2-CG1 4.31Å; W2961-V3002 HydrophobicContact CH2-CG2 3.93Å; W2961-V3002 HydrophobicContact CZ2-CG2 4.43Å; M2965-V3002 HydrophobicContact CB-CG2 4.13Å; M2965-V3002 HydrophobicContact CE-CG2 3.89Å; M2965-V3002 HydrophobicContact CG-CG2 4.38Å; F2998-V3002 HydrophobicContact CD2-CB 4.32Å; F2998-V3002 HydrophobicContact CD2-CG2 3.82Å; F2998-V3002 HydrophobicContact CE2-CB 4.06Å; F2998-V3002 HydrophobicContact CE2-CG1 4.17Å; F2998-V3002 HydrophobicContact CE2-CG2 3.7Å; F2998-V3002 HydrophobicContact CZ-CG1 4.48Å; F2998-V3002 WeakPolarHBondContact O-CB 3.38Å; F2998-V3002 WeakPolarHBondContact O-CG2 3.21Å; F2998-V3002 PolarHBondContact O-N 2.98Å; V3002-H3004 PolarHBondContact O-N 3.19Å; V3002-L3008 HydrophobicContact CG1-CD1 4.13Å; V3002-L3008 HydrophobicContact CG1-CD2 4.45Å |
| 3003 | G | 64.6 | Low | 77.9 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L2999 S3005 | L2999-G3003 VanDerWaalsContact O-CA 3.25Å; L2999-G3003 WeakPolarHBondContact O-CA 3.35Å; L2999-G3003 PolarHBondContact O-N 2.91Å; G3003-S3005 VanDerWaalsContact C-N 3.29Å; G3003-S3005 PolarHBondContact O-N 3.15Å |
| 3004 | H | 71.2 | Confident | 78.1 | Confident | 98.5 Ų | 98.5 | 26.4 Ų | 26.4 | 46% | 0.456 | 15% | 0.15 | S | C | . | . | trans | -74.2 | 81.4 | 175.2 | -67.8 | 88.6 | 0 | 0 | 0 | 111.3 | E2812 D3000 V3002 A3006 T3007 | E2812-H3004 WeakPolarHBondContact OE1-CA 3.42Å; E2812-H3004 IonicContact OE1-CD2 3.55Å; D3000-H3004 PolarHBondContact O-CE1 3.15Å; V3002-H3004 PolarHBondContact O-N 3.19Å; H3004-A3006 PolarHBondContact O-N 3.22Å; H3004-A3006 VanDerWaalsContact O-N 3.1Å; H3004-T3007 HydrophobicContact CB-CG2 4.18Å; H3004-T3007 PolarHBondContact O-N 3.33Å; H3004-T3007 VanDerWaalsContact O-N 3.09Å; H3004-T3007 PolarHBondContact O-OG1 3.2Å | ||
| 3005 | S | 70.9 | Confident | 78.5 | Confident | 5.75 Ų | 5.75 | 23.9 Ų | 23.9 | 4% | 0.04 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.6 | -32.4 | -172.3 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | E2812 G3003 T3007 L3008 L3009 L3156 | E2812-S3005 WeakPolarHBondContact OE2-CB 3.32Å; E2812-S3005 PolarHBondContact OE2-N 3.04Å; E2812-S3005 PolarHBondContact OE2-OG 3.13Å; G3003-S3005 VanDerWaalsContact C-N 3.29Å; G3003-S3005 PolarHBondContact O-N 3.15Å; S3005-T3007 VanDerWaalsContact C-N 3.3Å; S3005-T3007 PolarHBondContact O-N 3.1Å; S3005-L3008 WeakPolarHBondContact O-CB 3.43Å; S3005-L3008 PolarHBondContact O-N 3.28Å; S3005-L3008 VanDerWaalsContact O-N 3.14Å; S3005-L3009 WeakPolarHBondContact O-CD1 3.27Å; S3005-L3009 VanDerWaalsContact O-CG 3.3Å; S3005-L3009 WeakPolarHBondContact O-CG 3.21Å; S3005-L3009 PolarHBondContact O-N 3.12Å; S3005-L3156 WeakPolarHBondContact OG-CD2 3.43Å |
| 3006 | A | 68.7 | Low | 78.8 | Confident | 26.5 Ų | 26.5 | 24 Ų | 24 | 22% | 0.219 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -33 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H3004 L3008 L3009 S3010 L3153 L3156 F3157 | H3004-A3006 PolarHBondContact O-N 3.22Å; H3004-A3006 VanDerWaalsContact O-N 3.1Å; A3006-L3008 VanDerWaalsContact C-N 3.28Å; A3006-L3008 PolarHBondContact O-N 3.13Å; A3006-L3009 PolarHBondContact O-N 3.02Å; A3006-S3010 PolarHBondContact O-N 3.17Å; A3006-S3010 VanDerWaalsContact O-N 3.12Å; A3006-S3010 PolarHBondContact O-OG 3.16Å; A3006-L3153 HydrophobicContact CB-CD2 3.88Å; A3006-L3153 WeakPolarHBondContact CB-O 3.32Å; A3006-L3156 VanDerWaalsContact CA-CD1 3.47Å; A3006-L3156 HydrophobicContact CB-CB 4.27Å; A3006-L3156 HydrophobicContact CB-CD1 3.63Å; A3006-L3156 HydrophobicContact CB-CD2 3.75Å; A3006-L3156 HydrophobicContact CB-CG 3.85Å; A3006-L3156 VanDerWaalsContact CB-O 3.29Å; A3006-L3156 WeakPolarHBondContact CB-O 3.45Å; A3006-L3156 WeakPolarHBondContact O-CD1 3.3Å; A3006-F3157 HydrophobicContact CB-CE1 4.37Å |
| 3007 | T | 70.7 | Confident | 78.9 | Confident | 64 Ų | 64 | 25.8 Ų | 25.8 | 39% | 0.393 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.3 | -32.9 | 179.6 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | H3004 S3005 L3009 S3010 R3011 | H3004-T3007 HydrophobicContact CB-CG2 4.18Å; H3004-T3007 PolarHBondContact O-N 3.33Å; H3004-T3007 VanDerWaalsContact O-N 3.09Å; H3004-T3007 PolarHBondContact O-OG1 3.2Å; S3005-T3007 VanDerWaalsContact C-N 3.3Å; S3005-T3007 PolarHBondContact O-N 3.1Å; T3007-L3009 VanDerWaalsContact C-N 3.35Å; T3007-S3010 PolarHBondContact O-OG 3.24Å; T3007-S3010 VanDerWaalsContact O-OG 3.11Å; T3007-R3011 VanDerWaalsContact O-CB 3.3Å; T3007-R3011 WeakPolarHBondContact O-CB 3.31Å; T3007-R3011 PolarHBondContact O-N 3.18Å; T3007-R3011 VanDerWaalsContact O-N 3.11Å |
| 3008 | L | 78 | Confident | 79.1 | Confident | 1.25 Ų | 1.25 | 23 Ų | 23 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.7 | -41.5 | 178.1 | -48.9 | -179.3 | 0 | 0 | 0 | 111 | W2649 L2805 F2808 W2961 V3002 S3005 A3006 S3010 R3011 W3012 | W2649-L3008 HydrophobicContact CH2-CD1 3.67Å; W2649-L3008 HydrophobicContact CH2-CD2 3.58Å; W2649-L3008 HydrophobicContact CH2-CG 4.25Å; W2649-L3008 HydrophobicContact CZ2-CD1 4.33Å; W2649-L3008 HydrophobicContact CZ2-CD2 3.72Å; W2649-L3008 HydrophobicContact CZ3-CD1 4.22Å; L2805-L3008 HydrophobicContact CD2-CB 4.15Å; L2805-L3008 HydrophobicContact CD2-CD1 4.1Å; F2808-L3008 HydrophobicContact CD2-CD1 3.76Å; F2808-L3008 HydrophobicContact CE2-CD1 3.98Å; W2961-L3008 HydrophobicContact CH2-CD2 3.7Å; W2961-L3008 HydrophobicContact CZ3-CD2 4.22Å; V3002-L3008 HydrophobicContact CG1-CD1 4.13Å; V3002-L3008 HydrophobicContact CG1-CD2 4.45Å; S3005-L3008 WeakPolarHBondContact O-CB 3.43Å; S3005-L3008 PolarHBondContact O-N 3.28Å; S3005-L3008 VanDerWaalsContact O-N 3.14Å; A3006-L3008 VanDerWaalsContact C-N 3.28Å; A3006-L3008 PolarHBondContact O-N 3.13Å; L3008-S3010 VanDerWaalsContact C-N 3.32Å; L3008-S3010 PolarHBondContact O-N 2.85Å; L3008-R3011 PolarHBondContact O-N 2.97Å; L3008-W3012 HydrophobicContact CB-CE3 4.22Å; L3008-W3012 HydrophobicContact CB-CZ3 4.14Å; L3008-W3012 HydrophobicContact CD2-CH2 4.29Å; L3008-W3012 HydrophobicContact CD2-CZ3 4.22Å; L3008-W3012 PolarHBondContact O-N 3.13Å; L3008-W3012 VanDerWaalsContact O-N 3.07Å |
| 3009 | L | 78.4 | Confident | 79.4 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -36.4 | -179.5 | -66 | 169.2 | 0 | 0 | 0 | 112.2 | L2805 L2892 S3005 A3006 T3007 C3013 L3016 Y3034 L3152 L3156 F3157 | L2805-L3009 HydrophobicContact CD1-CD2 3.87Å; L2805-L3009 HydrophobicContact CD2-CD1 4.5Å; L2805-L3009 HydrophobicContact CD2-CD2 3.95Å; L2805-L3009 HydrophobicContact CD2-CG 4.12Å; L2892-L3009 HydrophobicContact CD1-CB 4.03Å; L2892-L3009 HydrophobicContact CD1-CD1 4.31Å; L2892-L3009 HydrophobicContact CD1-CD2 4.43Å; L2892-L3009 HydrophobicContact CD1-CG 4.48Å; L2892-L3009 HydrophobicContact CD2-CB 4.26Å; L2892-L3009 HydrophobicContact CD2-CD2 4.35Å; L2892-L3009 WeakPolarHBondContact CD2-O 3.09Å; L2892-L3009 HydrophobicContact CG-CB 4.18Å; S3005-L3009 WeakPolarHBondContact O-CD1 3.27Å; S3005-L3009 VanDerWaalsContact O-CG 3.3Å; S3005-L3009 WeakPolarHBondContact O-CG 3.21Å; S3005-L3009 PolarHBondContact O-N 3.12Å; A3006-L3009 PolarHBondContact O-N 3.02Å; T3007-L3009 VanDerWaalsContact C-N 3.35Å; L3009-C3013 WeakPolarHBondContact O-CA 3.29Å; L3009-C3013 PolarHBondContact O-N 2.93Å; L3009-L3016 HydrophobicContact CB-CD1 4.41Å; L3009-L3016 HydrophobicContact CD2-CD1 3.78Å; L3009-L3016 HydrophobicContact CD2-CD2 4.48Å; L3009-Y3034 HydrophobicContact CD1-CD1 4.34Å; L3009-Y3034 HydrophobicContact CD1-CE1 4.04Å; L3009-Y3034 HydrophobicContact CD2-CD1 4.28Å; L3009-Y3034 HydrophobicContact CD2-CE1 4.49Å; L3009-L3152 HydrophobicContact CB-CD2 4.26Å; L3009-L3152 HydrophobicContact CD1-CD2 3.73Å; L3009-L3152 HydrophobicContact CD1-CG 3.87Å; L3009-L3152 HydrophobicContact CD2-CD2 4.29Å; L3009-L3152 HydrophobicContact CD2-CG 4.45Å; L3009-L3152 HydrophobicContact CG-CD2 4.31Å; L3009-L3156 HydrophobicContact CB-CD1 4.05Å; L3009-L3156 HydrophobicContact CD1-CD1 4.02Å; L3009-F3157 HydrophobicContact CB-CE2 4.34Å; L3009-F3157 HydrophobicContact CD1-CD2 3.56Å; L3009-F3157 HydrophobicContact CD1-CE2 3.52Å; L3009-F3157 HydrophobicContact CD2-CD2 4.34Å; L3009-F3157 HydrophobicContact CD2-CE2 3.56Å; L3009-F3157 HydrophobicContact CD2-CZ 3.99Å; L3009-F3157 HydrophobicContact CG-CE2 3.98Å |
| 3010 | S | 75.2 | Confident | 79.5 | Confident | 43 Ų | 43 | 23 Ų | 23 | 30% | 0.301 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -77.4 | -41.7 | 173.4 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | L2892 S2893 A3006 T3007 L3008 W3012 C3013 | L2892-S3010 WeakPolarHBondContact O-CA 3.44Å; L2892-S3010 VanDerWaalsContact O-CB 3.25Å; L2892-S3010 WeakPolarHBondContact O-CB 3.41Å; S2893-S3010 WeakPolarHBondContact CB-OG 3.17Å; S2893-S3010 WeakPolarHBondContact OG-CA 3.28Å; S2893-S3010 PolarHBondContact OG-O 3.39Å; S2893-S3010 PolarHBondContact OG-OG 3.17Å; A3006-S3010 PolarHBondContact O-N 3.17Å; A3006-S3010 VanDerWaalsContact O-N 3.12Å; A3006-S3010 PolarHBondContact O-OG 3.16Å; T3007-S3010 PolarHBondContact O-OG 3.24Å; T3007-S3010 VanDerWaalsContact O-OG 3.11Å; L3008-S3010 VanDerWaalsContact C-N 3.32Å; L3008-S3010 PolarHBondContact O-N 2.85Å; S3010-W3012 VanDerWaalsContact C-N 3.3Å; S3010-W3012 PolarHBondContact O-N 2.92Å; S3010-C3013 WeakPolarHBondContact O-CB 3.45Å; S3010-C3013 PolarHBondContact O-N 3.29Å |
| 3011 | R | 80.4 | Confident | 79.7 | Confident | 39.25 Ų | 39.25 | 27.4 Ų | 27.4 | 15% | 0.148 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 178.8 | -174.6 | -174.1 | -176.5 | 104.8 | -0.1 | 112.4 | D2657 R2664 S2959 W2961 T3007 L3008 | D2657-R3011 VanDerWaalsContact CG-NH2 3.33Å; D2657-R3011 IonicContact OD1-CZ 3.31Å; D2657-R3011 IonicContact OD1-NE 3.06Å; D2657-R3011 PolarHBondContact OD1-NE 3.38Å; D2657-R3011 IonicContact OD1-NH2 3.73Å; D2657-R3011 PolarHBondContact OD1-NH2 3.12Å; D2657-R3011 IonicContact OD2-CZ 3.2Å; D2657-R3011 IonicContact OD2-NE 3.32Å; D2657-R3011 IonicContact OD2-NH2 2.84Å; D2657-R3011 PolarHBondContact OD2-NH2 3.17Å; R2664-R3011 PolarHBondContact NH1-O 2.8Å; R2664-R3011 PolarHBondContact NH2-O 3.02Å; S2959-R3011 PolarHBondContact OG-NH2 3.37Å; S2959-R3011 VanDerWaalsContact OG-NH2 3.08Å; W2961-R3011 VanDerWaalsContact CB-NH2 3.33Å; W2961-R3011 VanDerWaalsContact CD2-CZ 3.5Å; W2961-R3011 VanDerWaalsContact CE3-NH1 3.35Å; T3007-R3011 VanDerWaalsContact O-CB 3.3Å; T3007-R3011 WeakPolarHBondContact O-CB 3.31Å; T3007-R3011 PolarHBondContact O-N 3.18Å; T3007-R3011 VanDerWaalsContact O-N 3.11Å; L3008-R3011 PolarHBondContact O-N 2.97Å |
| 3012 | W | 86.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 32.8 | -175.1 | -58 | -41.3 | 0 | 0 | 0 | 113.3 | W2649 T2653 M2656 D2657 E2660 L2801 W2961 L3008 S3010 S3014 A3015 L3016 | W2649-W3012 AromaticContact CH2-CH2 3.66Å; W2649-W3012 HydrophobicContact CH2-CH2 3.66Å; W2649-W3012 AromaticContact CH2-CZ3 3.86Å; W2649-W3012 HydrophobicContact CH2-CZ3 3.98Å; W2649-W3012 AromaticContact CZ2-CH2 3.96Å; W2649-W3012 HydrophobicContact CZ2-CH2 4.13Å; W2649-W3012 HydrophobicContact CZ3-CH2 4.24Å; W2649-W3012 HydrophobicContact CZ3-CZ3 4.45Å; T2653-W3012 HydrophobicContact CG2-CZ2 4.32Å; M2656-W3012 HydrophobicContact CB-CD2 3.71Å; M2656-W3012 VanDerWaalsContact CB-CE2 3.41Å; M2656-W3012 HydrophobicContact CB-CE3 4.34Å; M2656-W3012 HydrophobicContact CB-CG 3.98Å; M2656-W3012 HydrophobicContact CB-CH2 4.44Å; M2656-W3012 HydrophobicContact CB-CZ2 3.84Å; M2656-W3012 HydrophobicContact CE-CB 3.64Å; M2656-W3012 HydrophobicContact CE-CD2 4.04Å; M2656-W3012 HydrophobicContact CE-CE3 4.31Å; M2656-W3012 HydrophobicContact CE-CG 3.76Å; M2656-W3012 HydrophobicContact CG-CD2 4.16Å; M2656-W3012 HydrophobicContact CG-CE3 4.32Å; M2656-W3012 HydrophobicContact CG-CZ2 4.45Å; D2657-W3012 PolarHBondContact OD1-NE1 3.22Å; E2660-W3012 WeakPolarHBondContact OE2-CA 3.22Å; L2801-W3012 HydrophobicContact CD1-CE3 3.79Å; L2801-W3012 HydrophobicContact CD1-CZ3 3.73Å; W2961-W3012 HydrophobicContact CZ3-CZ2 4.42Å; L3008-W3012 HydrophobicContact CB-CE3 4.22Å; L3008-W3012 HydrophobicContact CB-CZ3 4.14Å; L3008-W3012 HydrophobicContact CD2-CH2 4.29Å; L3008-W3012 HydrophobicContact CD2-CZ3 4.22Å; L3008-W3012 PolarHBondContact O-N 3.13Å; L3008-W3012 VanDerWaalsContact O-N 3.07Å; S3010-W3012 VanDerWaalsContact C-N 3.3Å; S3010-W3012 PolarHBondContact O-N 2.92Å; W3012-S3014 VanDerWaalsContact C-N 3.3Å; W3012-S3014 PolarHBondContact O-N 3.06Å; W3012-A3015 HydrophobicContact CB-CB 4.49Å; W3012-A3015 PolarHBondContact O-N 3.1Å; W3012-L3016 HydrophobicContact CB-CD1 4.24Å; W3012-L3016 HydrophobicContact CB-CG 4.41Å; W3012-L3016 VanDerWaalsContact O-CB 3.28Å; W3012-L3016 WeakPolarHBondContact O-CB 3.33Å; W3012-L3016 WeakPolarHBondContact O-CD1 3.21Å; W3012-L3016 VanDerWaalsContact O-CG 3.28Å; W3012-L3016 WeakPolarHBondContact O-CG 3.28Å; W3012-L3016 PolarHBondContact O-N 3.21Å |
| 3013 | C | 85.2 | Confident | 80.9 | Confident | 12.5 Ų | 12.5 | 29.2 Ų | 29.2 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.2 | -38.9 | -173.4 | 82 | 0 | 0 | 0 | 0 | 113.8 | R2664 L2892 S2893 L3009 S3010 E3017 | R2664-C3013 PolarHBondContact NH2-SG 3.24Å; L2892-C3013 HydrophobicContact CB-CB 3.96Å; S2893-C3013 WeakPolarHBondContact OG-CB 3.42Å; S2893-C3013 PolarHBondContact OG-SG 3.09Å; S2893-C3013 VanDerWaalsContact OG-SG 3.36Å; L3009-C3013 WeakPolarHBondContact O-CA 3.29Å; L3009-C3013 PolarHBondContact O-N 2.93Å; S3010-C3013 WeakPolarHBondContact O-CB 3.45Å; S3010-C3013 PolarHBondContact O-N 3.29Å; C3013-E3017 WeakPolarHBondContact O-CB 3.35Å; C3013-E3017 PolarHBondContact O-N 3.04Å |
| 3014 | S | 83.7 | Confident | 81.8 | Confident | 32.25 Ų | 32.25 | 30.1 Ų | 30.1 | 23% | 0.226 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.6 | -42.3 | -178 | -40.4 | 0 | 0 | 0 | 0 | 111.5 | E2660 R2664 W3012 E3017 F3018 | E2660-S3014 WeakPolarHBondContact OE1-CB 3.29Å; E2660-S3014 PolarHBondContact OE1-N 2.97Å; E2660-S3014 PolarHBondContact OE1-OG 3.09Å; E2660-S3014 WeakPolarHBondContact OE2-CA 3.19Å; E2660-S3014 WeakPolarHBondContact OE2-CB 3.49Å; E2660-S3014 PolarHBondContact OE2-N 2.97Å; R2664-S3014 WeakPolarHBondContact CG-OG 3.3Å; W3012-S3014 VanDerWaalsContact C-N 3.3Å; W3012-S3014 PolarHBondContact O-N 3.06Å; S3014-E3017 PolarHBondContact O-N 3.16Å; S3014-F3018 VanDerWaalsContact O-CB 3.25Å; S3014-F3018 WeakPolarHBondContact O-CB 3.23Å; S3014-F3018 PolarHBondContact O-N 3.08Å |
| 3015 | A | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M2656 L2659 E2660 L2663 W3012 F3018 F3019 | M2656-A3015 HydrophobicContact CE-CB 3.47Å; M2656-A3015 VanDerWaalsContact CE-CB 3.47Å; L2659-A3015 HydrophobicContact CD2-CB 4.03Å; L2659-A3015 HydrophobicContact CG-CB 4.15Å; E2660-A3015 WeakPolarHBondContact OE2-CB 3.34Å; E2660-A3015 PolarHBondContact OE2-N 3.01Å; L2663-A3015 VanDerWaalsContact CD1-CA 3.48Å; L2663-A3015 HydrophobicContact CD1-CB 4Å; W3012-A3015 HydrophobicContact CB-CB 4.49Å; W3012-A3015 PolarHBondContact O-N 3.1Å; A3015-F3018 WeakPolarHBondContact O-CB 3.29Å; A3015-F3018 PolarHBondContact O-N 3.25Å; A3015-F3019 WeakPolarHBondContact O-CB 3.07Å; A3015-F3019 WeakPolarHBondContact O-CD2 3.36Å; A3015-F3019 WeakPolarHBondContact O-CG 3.33Å; A3015-F3019 PolarHBondContact O-N 3.27Å |
| 3016 | L | 88.2 | Confident | 82.9 | Confident | 0.5 Ų | 0.5 | 32.8 Ų | 32.8 | 0% | 0.003 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.2 | -43.7 | 173.2 | -78 | 166.2 | 0 | 0 | 0 | 112.2 | L2801 L2805 L2892 L3009 W3012 F3018 F3019 G3020 L3038 | L2801-L3016 HydrophobicContact CD2-CD2 3.56Å; L2801-L3016 HydrophobicContact CD2-CG 4.19Å; L2801-L3016 HydrophobicContact CG-CD2 4.34Å; L2805-L3016 HydrophobicContact CD1-CD2 4Å; L2892-L3016 HydrophobicContact CD2-CB 3.86Å; L2892-L3016 HydrophobicContact CD2-CD1 3.92Å; L3009-L3016 HydrophobicContact CB-CD1 4.41Å; L3009-L3016 HydrophobicContact CD2-CD1 3.78Å; L3009-L3016 HydrophobicContact CD2-CD2 4.48Å; W3012-L3016 HydrophobicContact CB-CD1 4.24Å; W3012-L3016 HydrophobicContact CB-CG 4.41Å; W3012-L3016 VanDerWaalsContact O-CB 3.28Å; W3012-L3016 WeakPolarHBondContact O-CB 3.33Å; W3012-L3016 WeakPolarHBondContact O-CD1 3.21Å; W3012-L3016 VanDerWaalsContact O-CG 3.28Å; W3012-L3016 WeakPolarHBondContact O-CG 3.28Å; W3012-L3016 PolarHBondContact O-N 3.21Å; L3016-F3018 VanDerWaalsContact C-N 3.31Å; L3016-F3018 PolarHBondContact O-N 3.23Å; L3016-F3019 PolarHBondContact O-N 3.17Å; L3016-G3020 PolarHBondContact O-N 3.12Å; L3016-L3038 HydrophobicContact CB-CD1 3.8Å; L3016-L3038 HydrophobicContact CB-CD2 4.03Å; L3016-L3038 HydrophobicContact CD2-CD1 3.81Å; L3016-L3038 HydrophobicContact CG-CD1 4.34Å |
| 3017 | E | 84.6 | Confident | 83.7 | Confident | 38.75 Ų | 38.75 | 31.6 Ų | 31.6 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -36 | 171.1 | -95.8 | -152.8 | -161.4 | 0 | 0 | 112.7 | L2892 R2931 C3013 S3014 G3020 R3021 | L2892-E3017 HydrophobicContact CD1-CG 4.44Å; R2931-E3017 IonicContact NH2-OE1 2.69Å; R2931-E3017 PolarHBondContact NH2-OE1 2.63Å; R2931-E3017 IonicContact NH2-OE2 3.1Å; R2931-E3017 PolarHBondContact NH2-OE2 3.4Å; C3013-E3017 WeakPolarHBondContact O-CB 3.35Å; C3013-E3017 PolarHBondContact O-N 3.04Å; S3014-E3017 PolarHBondContact O-N 3.16Å; E3017-G3020 PolarHBondContact O-N 3.27Å; E3017-R3021 WeakPolarHBondContact O-CG 3.32Å; E3017-R3021 PolarHBondContact O-N 3.14Å; E3017-R3021 VanDerWaalsContact O-N 3.16Å; E3017-R3021 PolarHBondContact O-NH1 3.04Å; E3017-R3021 IonicContact OE2-CZ 3.1Å; E3017-R3021 IonicContact OE2-NH1 3.01Å; E3017-R3021 PolarHBondContact OE2-NH1 3.1Å; E3017-R3021 IonicContact OE2-NH2 3.24Å; E3017-R3021 PolarHBondContact OE2-NH2 3.22Å |
| 3018 | F | 87.7 | Confident | 84.1 | Confident | 26.25 Ų | 26.25 | 28.9 Ų | 28.9 | 12% | 0.115 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -46.8 | 176.2 | 175.5 | -106.5 | 0 | 0 | 0 | 111.5 | L2659 L2663 I2789 P2791 S3014 A3015 L3016 G3020 R3021 H3022 | L2659-F3018 HydrophobicContact CD1-CE1 4.45Å; L2663-F3018 HydrophobicContact CD1-CB 3.86Å; L2663-F3018 HydrophobicContact CD1-CD1 4.25Å; L2663-F3018 HydrophobicContact CD1-CG 4.05Å; L2663-F3018 HydrophobicContact CD2-CB 4.47Å; L2663-F3018 HydrophobicContact CD2-CD2 4Å; L2663-F3018 HydrophobicContact CD2-CE2 4.37Å; L2663-F3018 HydrophobicContact CD2-CG 4.22Å; I2789-F3018 HydrophobicContact CG2-CE1 4.38Å; I2789-F3018 HydrophobicContact CG2-CZ 3.89Å; P2791-F3018 HydrophobicContact CB-CE1 4.42Å; P2791-F3018 HydrophobicContact CB-CE2 4.5Å; P2791-F3018 HydrophobicContact CB-CZ 3.89Å; P2791-F3018 HydrophobicContact CG-CE2 4.06Å; P2791-F3018 HydrophobicContact CG-CZ 3.76Å; S3014-F3018 VanDerWaalsContact O-CB 3.25Å; S3014-F3018 WeakPolarHBondContact O-CB 3.23Å; S3014-F3018 PolarHBondContact O-N 3.08Å; A3015-F3018 WeakPolarHBondContact O-CB 3.29Å; A3015-F3018 PolarHBondContact O-N 3.25Å; L3016-F3018 VanDerWaalsContact C-N 3.31Å; L3016-F3018 PolarHBondContact O-N 3.23Å; F3018-G3020 PolarHBondContact O-N 3.17Å; F3018-R3021 PolarHBondContact O-N 3.1Å; F3018-H3022 AromaticContact CD2-CD2 3.53Å; F3018-H3022 AromaticContact CD2-NE2 3.83Å; F3018-H3022 AromaticContact CE2-CD2 3.48Å; F3018-H3022 VanDerWaalsContact CE2-CD2 3.48Å; F3018-H3022 WeakPolarHBondContact CE2-CD2 3.45Å; F3018-H3022 AromaticContact CE2-NE2 3.58Å; F3018-H3022 PolarHBondContact O-CD2 3.03Å; F3018-H3022 VanDerWaalsContact O-CD2 3.31Å; F3018-H3022 PolarHBondContact O-N 2.98Å |
| 3019 | F | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 174 | -63.3 | -20.5 | 0 | 0 | 0 | 112.4 | M2656 L2659 N2794 L2797 A2798 L2801 A3015 L3016 R3021 H3022 F3023 I3035 | M2656-F3019 HydrophobicContact CE-CE2 4.07Å; M2656-F3019 HydrophobicContact SD-CE2 3.83Å; M2656-F3019 HydrophobicContact SD-CZ 4.17Å; L2659-F3019 HydrophobicContact CD2-CE1 3.68Å; L2659-F3019 HydrophobicContact CD2-CE2 4.45Å; L2659-F3019 HydrophobicContact CD2-CZ 3.47Å; L2659-F3019 VanDerWaalsContact CD2-CZ 3.46Å; N2794-F3019 HydrophobicContact CB-CE1 3.93Å; N2794-F3019 HydrophobicContact CB-CZ 4.44Å; L2797-F3019 HydrophobicContact CB-CZ 4.34Å; L2797-F3019 HydrophobicContact CD2-CZ 4.16Å; L2797-F3019 HydrophobicContact CG-CE2 4.45Å; L2797-F3019 HydrophobicContact CG-CZ 4.11Å; A2798-F3019 HydrophobicContact CB-CB 4.33Å; A2798-F3019 HydrophobicContact CB-CD1 4.09Å; A2798-F3019 HydrophobicContact CB-CD2 3.8Å; A2798-F3019 HydrophobicContact CB-CE1 4.34Å; A2798-F3019 HydrophobicContact CB-CE2 4.05Å; A2798-F3019 HydrophobicContact CB-CG 3.82Å; A2798-F3019 HydrophobicContact CB-CZ 4.32Å; L2801-F3019 HydrophobicContact CD2-CD2 4.06Å; L2801-F3019 HydrophobicContact CD2-CE2 3.89Å; A3015-F3019 WeakPolarHBondContact O-CB 3.07Å; A3015-F3019 WeakPolarHBondContact O-CD2 3.36Å; A3015-F3019 WeakPolarHBondContact O-CG 3.33Å; A3015-F3019 PolarHBondContact O-N 3.27Å; L3016-F3019 PolarHBondContact O-N 3.17Å; F3019-R3021 VanDerWaalsContact C-N 3.3Å; F3019-R3021 PolarHBondContact O-N 3.06Å; F3019-H3022 PolarHBondContact O-N 2.81Å; F3019-F3023 HydrophobicContact CB-CD2 4.11Å; F3019-F3023 AromaticContact CD1-CD2 3.77Å; F3019-F3023 HydrophobicContact CD1-CD2 3.77Å; F3019-F3023 AromaticContact CD1-CE2 3.71Å; F3019-F3023 HydrophobicContact CD1-CE2 3.71Å; F3019-F3023 HydrophobicContact CE1-CD2 4.49Å; F3019-F3023 HydrophobicContact CE1-CE2 4.15Å; F3019-F3023 HydrophobicContact CG-CD2 4.18Å; F3019-F3023 HydrophobicContact CG-CE2 4.41Å; F3019-F3023 WeakPolarHBondContact O-CA 3.45Å; F3019-F3023 WeakPolarHBondContact O-CB 3.33Å; F3019-F3023 PolarHBondContact O-N 3.34Å; F3019-I3035 HydrophobicContact CB-CD1 4Å; F3019-I3035 HydrophobicContact CB-CG1 4.4Å; F3019-I3035 HydrophobicContact CD2-CD1 4.39Å |
| 3020 | G | 86.6 | Confident | 84.4 | Confident | 0.5 Ų | 0.5 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.5 | -47.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3016 E3017 F3018 H3022 T3024 | L3016-G3020 PolarHBondContact O-N 3.12Å; E3017-G3020 PolarHBondContact O-N 3.27Å; F3018-G3020 PolarHBondContact O-N 3.17Å; G3020-H3022 PolarHBondContact O-N 3.1Å; G3020-T3024 WeakPolarHBondContact O-CB 3.43Å; G3020-T3024 PolarHBondContact O-N 2.96Å; G3020-T3024 PolarHBondContact O-OG1 3.15Å |
| 3021 | R | 83.7 | Confident | 84.5 | Confident | 130.25 Ų | 130.25 | 37.4 Ų | 37.4 | 49% | 0.492 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.4 | -38 | 179 | -70.2 | -175.3 | -174.7 | 90 | 0.3 | 113.9 | E3017 F3018 F3019 | E3017-R3021 WeakPolarHBondContact O-CG 3.32Å; E3017-R3021 PolarHBondContact O-N 3.14Å; E3017-R3021 VanDerWaalsContact O-N 3.16Å; E3017-R3021 PolarHBondContact O-NH1 3.04Å; E3017-R3021 IonicContact OE2-CZ 3.1Å; E3017-R3021 IonicContact OE2-NH1 3.01Å; E3017-R3021 PolarHBondContact OE2-NH1 3.1Å; E3017-R3021 IonicContact OE2-NH2 3.24Å; E3017-R3021 PolarHBondContact OE2-NH2 3.22Å; F3018-R3021 PolarHBondContact O-N 3.1Å; F3019-R3021 VanDerWaalsContact C-N 3.3Å; F3019-R3021 PolarHBondContact O-N 3.06Å |
| 3022 | H | 85.6 | Confident | 84.2 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 38% | 0.375 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -94.5 | -27.4 | -174.3 | -72.5 | -69.1 | 0 | 0 | 0 | 115.5 | P2791 F3018 F3019 G3020 | P2791-H3022 HydrophobicContact CB-CB 4.3Å; F3018-H3022 AromaticContact CD2-CD2 3.53Å; F3018-H3022 AromaticContact CD2-NE2 3.83Å; F3018-H3022 AromaticContact CE2-CD2 3.48Å; F3018-H3022 VanDerWaalsContact CE2-CD2 3.48Å; F3018-H3022 WeakPolarHBondContact CE2-CD2 3.45Å; F3018-H3022 AromaticContact CE2-NE2 3.58Å; F3018-H3022 PolarHBondContact O-CD2 3.03Å; F3018-H3022 VanDerWaalsContact O-CD2 3.31Å; F3018-H3022 PolarHBondContact O-N 2.98Å; F3019-H3022 PolarHBondContact O-N 2.81Å; G3020-H3022 PolarHBondContact O-N 3.1Å |
| 3023 | F | 88 | Confident | 84 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -121.7 | 5.1 | -168 | -60.3 | -47.5 | 0 | 0 | 0 | 115.9 | P2791 K2795 A2798 F3019 P3025 D3026 V3027 G3028 I3035 | P2791-F3023 VanDerWaalsContact O-CZ 3.23Å; P2791-F3023 WeakPolarHBondContact O-CZ 3.35Å; K2795-F3023 HydrophobicContact CB-CD1 4.45Å; K2795-F3023 HydrophobicContact CB-CE1 3.69Å; K2795-F3023 HydrophobicContact CB-CE2 4.31Å; K2795-F3023 HydrophobicContact CB-CZ 3.54Å; K2795-F3023 HydrophobicContact CD-CD1 4.39Å; K2795-F3023 HydrophobicContact CD-CE1 4.02Å; K2795-F3023 HydrophobicContact CG-CD1 4.15Å; K2795-F3023 HydrophobicContact CG-CE1 3.74Å; K2795-F3023 HydrophobicContact CG-CZ 4.05Å; A2798-F3023 HydrophobicContact CB-CD2 3.61Å; A2798-F3023 HydrophobicContact CB-CE2 3.98Å; A2798-F3023 HydrophobicContact CB-CG 4.44Å; F3019-F3023 HydrophobicContact CB-CD2 4.11Å; F3019-F3023 AromaticContact CD1-CD2 3.77Å; F3019-F3023 HydrophobicContact CD1-CD2 3.77Å; F3019-F3023 AromaticContact CD1-CE2 3.71Å; F3019-F3023 HydrophobicContact CD1-CE2 3.71Å; F3019-F3023 HydrophobicContact CE1-CD2 4.49Å; F3019-F3023 HydrophobicContact CE1-CE2 4.15Å; F3019-F3023 HydrophobicContact CG-CD2 4.18Å; F3019-F3023 HydrophobicContact CG-CE2 4.41Å; F3019-F3023 WeakPolarHBondContact O-CA 3.45Å; F3019-F3023 WeakPolarHBondContact O-CB 3.33Å; F3019-F3023 PolarHBondContact O-N 3.34Å; F3023-P3025 VanDerWaalsContact C-CD 3.41Å; F3023-P3025 VanDerWaalsContact C-N 3.34Å; F3023-D3026 PolarHBondContact O-N 2.98Å; F3023-D3026 VanDerWaalsContact O-N 3.1Å; F3023-V3027 HydrophobicContact CB-CB 4.26Å; F3023-V3027 HydrophobicContact CB-CG2 3.95Å; F3023-V3027 HydrophobicContact CG-CG2 4.44Å; F3023-V3027 PolarHBondContact O-N 3.32Å; F3023-G3028 PolarHBondContact O-N 3.29Å; F3023-G3028 VanDerWaalsContact O-N 3.11Å; F3023-I3035 HydrophobicContact CB-CG2 4.47Å |
| 3024 | T | 83.8 | Confident | 83.6 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44 | -45.5 | 169.9 | -74.7 | 0 | 0 | 0 | 0 | 115.1 | G3020 D3026 G3028 A3029 I3035 F3036 G3039 A3043 | G3020-T3024 WeakPolarHBondContact O-CB 3.43Å; G3020-T3024 PolarHBondContact O-N 2.96Å; G3020-T3024 PolarHBondContact O-OG1 3.15Å; T3024-D3026 VanDerWaalsContact C-N 3.29Å; T3024-D3026 PolarHBondContact O-N 3.12Å; T3024-G3028 CarbonylContact O-C 3.54Å; T3024-G3028 VanDerWaalsContact O-C 3.28Å; T3024-G3028 WeakPolarHBondContact O-CA 3.32Å; T3024-G3028 PolarHBondContact O-N 3.18Å; T3024-A3029 PolarHBondContact O-N 3.11Å; T3024-I3035 PolarHBondContact OG1-O 3.42Å; T3024-F3036 HydrophobicContact CG2-CD2 4.14Å; T3024-F3036 HydrophobicContact CG2-CE2 4.2Å; T3024-G3039 WeakPolarHBondContact OG1-CA 3.38Å; T3024-A3043 HydrophobicContact CG2-CB 3.56Å; T3024-A3043 VanDerWaalsContact CG2-CB 3.45Å |
| 3025 | P | 81.5 | Confident | 83.6 | Confident | 98.25 Ų | 98.25 | 36.1 Ų | 36.1 | 64% | 0.638 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.8 | -177.1 | 28.6 | -36.1 | 0 | 0 | 0 | 114.4 | F3023 | F3023-P3025 VanDerWaalsContact C-CD 3.41Å; F3023-P3025 VanDerWaalsContact C-N 3.34Å |
| 3026 | D | 84.1 | Confident | 83.2 | Confident | 63.5 Ų | 63.5 | 38.5 Ų | 38.5 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -60.7 | -173.8 | -72.2 | -28.4 | 0 | 0 | 0 | 112.2 | K2795 F3023 T3024 A3029 | K2795-D3026 WeakPolarHBondContact CE-OD2 3.2Å; K2795-D3026 IonicContact NZ-OD1 2.75Å; K2795-D3026 PolarHBondContact NZ-OD1 3.36Å; K2795-D3026 IonicContact NZ-OD2 3.34Å; K2795-D3026 PolarHBondContact NZ-OD2 3.27Å; F3023-D3026 PolarHBondContact O-N 2.98Å; F3023-D3026 VanDerWaalsContact O-N 3.1Å; T3024-D3026 VanDerWaalsContact C-N 3.29Å; T3024-D3026 PolarHBondContact O-N 3.12Å; D3026-A3029 WeakPolarHBondContact O-CB 3.41Å; D3026-A3029 PolarHBondContact O-N 2.8Å |
| 3027 | V | 84.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -38.2 | -178.8 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | A2798 Y2799 D2802 F3023 A3029 E3030 S3033 I3035 | A2798-V3027 HydrophobicContact CB-CG2 4.29Å; Y2799-V3027 HydrophobicContact CD1-CG1 4.06Å; Y2799-V3027 HydrophobicContact CD1-CG2 4.06Å; Y2799-V3027 HydrophobicContact CD2-CG2 3.9Å; Y2799-V3027 HydrophobicContact CE1-CB 4.45Å; Y2799-V3027 HydrophobicContact CE1-CG1 4.39Å; Y2799-V3027 HydrophobicContact CE1-CG2 3.98Å; Y2799-V3027 HydrophobicContact CE2-CG2 3.82Å; Y2799-V3027 HydrophobicContact CG-CG1 4.43Å; Y2799-V3027 HydrophobicContact CG-CG2 4.03Å; D2802-V3027 HydrophobicContact CB-CG1 4Å; F3023-V3027 HydrophobicContact CB-CB 4.26Å; F3023-V3027 HydrophobicContact CB-CG2 3.95Å; F3023-V3027 HydrophobicContact CG-CG2 4.44Å; F3023-V3027 PolarHBondContact O-N 3.32Å; V3027-A3029 PolarHBondContact O-N 3.11Å; V3027-A3029 VanDerWaalsContact O-N 3.12Å; V3027-E3030 WeakPolarHBondContact O-CB 3.36Å; V3027-E3030 WeakPolarHBondContact O-CG 3.37Å; V3027-E3030 PolarHBondContact O-N 3.12Å; V3027-S3033 WeakPolarHBondContact O-CB 3.36Å; V3027-S3033 PolarHBondContact O-OG 3.02Å; V3027-I3035 HydrophobicContact CB-CD1 4.33Å; V3027-I3035 HydrophobicContact CB-CG2 4.39Å; V3027-I3035 HydrophobicContact CG1-CD1 3.81Å |
| 3028 | G | 81.1 | Confident | 82.2 | Confident | 8.25 Ų | 8.25 | 40.6 Ų | 40.6 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -0.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F3023 T3024 S3033 F3036 | F3023-G3028 PolarHBondContact O-N 3.29Å; F3023-G3028 VanDerWaalsContact O-N 3.11Å; T3024-G3028 CarbonylContact O-C 3.54Å; T3024-G3028 VanDerWaalsContact O-C 3.28Å; T3024-G3028 WeakPolarHBondContact O-CA 3.32Å; T3024-G3028 PolarHBondContact O-N 3.18Å; G3028-S3033 WeakPolarHBondContact CA-OG 3.1Å; G3028-F3036 WeakPolarHBondContact O-CB 3.4Å; G3028-F3036 WeakPolarHBondContact O-CD2 3.4Å |
| 3029 | A | 82 | Confident | 81.5 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 55% | 0.554 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -9.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T3024 D3026 V3027 | T3024-A3029 PolarHBondContact O-N 3.11Å; D3026-A3029 WeakPolarHBondContact O-CB 3.41Å; D3026-A3029 PolarHBondContact O-N 2.8Å; V3027-A3029 PolarHBondContact O-N 3.11Å; V3027-A3029 VanDerWaalsContact O-N 3.12Å |
| 3030 | E | 80.1 | Confident | 81.1 | Confident | 49.25 Ų | 49.25 | 41.4 Ų | 41.4 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -73.8 | 148.2 | 178.1 | -63 | -60.9 | 138.1 | 0 | 0 | 112.4 | R2506 Y2799 V3027 G3032 S3033 | R2506-E3030 IonicContact CZ-OE1 2.95Å; R2506-E3030 IonicContact CZ-OE2 3.18Å; R2506-E3030 VanDerWaalsContact NH1-CD 3.35Å; R2506-E3030 IonicContact NH1-OE1 3.03Å; R2506-E3030 PolarHBondContact NH1-OE1 2.77Å; R2506-E3030 IonicContact NH1-OE2 3.27Å; R2506-E3030 VanDerWaalsContact NH2-CD 3.27Å; R2506-E3030 IonicContact NH2-OE1 3.11Å; R2506-E3030 PolarHBondContact NH2-OE1 3.42Å; R2506-E3030 IonicContact NH2-OE2 2.97Å; R2506-E3030 PolarHBondContact NH2-OE2 3.38Å; R2506-E3030 VanDerWaalsContact NH2-OE2 3.14Å; Y2799-E3030 HydrophobicContact CE1-CG 4.15Å; V3027-E3030 WeakPolarHBondContact O-CB 3.36Å; V3027-E3030 WeakPolarHBondContact O-CG 3.37Å; V3027-E3030 PolarHBondContact O-N 3.12Å; E3030-G3032 PolarHBondContact O-N 3.11Å; E3030-S3033 VanDerWaalsContact O-CB 3.3Å; E3030-S3033 WeakPolarHBondContact O-CB 3.37Å; E3030-S3033 PolarHBondContact O-N 3.14Å; E3030-S3033 VanDerWaalsContact O-N 3.16Å |
| 3031 | N | 75.9 | Confident | 81.1 | Confident | 112.75 Ų | 112.75 | 44.7 Ų | 44.7 | 60% | 0.603 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 121.8 | 179 | -70.9 | 3.7 | 0 | 0 | 0 | 111.2 | R2513 T2537 S3033 | R2513-N3031 VanDerWaalsContact CD-O 3.29Å; R2513-N3031 WeakPolarHBondContact CD-O 3.41Å; R2513-N3031 PolarHBondContact NE-O 3.08Å; T2537-N3031 PolarHBondContact O-OD1 3.27Å; T2537-N3031 PolarHBondContact OG1-ND2 3.43Å; T2537-N3031 VanDerWaalsContact OG1-ND2 3.14Å; N3031-S3033 VanDerWaalsContact C-N 3.29Å; N3031-S3033 PolarHBondContact O-N 2.98Å |
| 3032 | G | 74.5 | Confident | 81.2 | Confident | 37.5 Ų | 37.5 | 41.7 Ų | 41.7 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 19 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E3030 Y3034 | E3030-G3032 PolarHBondContact O-N 3.11Å; G3032-Y3034 PolarHBondContact O-N 3.27Å |
| 3033 | S | 82.4 | Confident | 81.1 | Confident | 10.25 Ų | 10.25 | 38.5 Ų | 38.5 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | trans | -65.6 | 124.7 | -179.1 | -179.6 | 0 | 0 | 0 | 0 | 113.5 | D2802 V3027 G3028 E3030 N3031 I3035 F3036 | D2802-S3033 VanDerWaalsContact CG-OG 3.3Å; D2802-S3033 VanDerWaalsContact OD1-CA 3.26Å; D2802-S3033 WeakPolarHBondContact OD1-CA 3.26Å; D2802-S3033 WeakPolarHBondContact OD1-CB 3.33Å; D2802-S3033 PolarHBondContact OD1-OG 2.97Å; D2802-S3033 VanDerWaalsContact OD2-CA 3.28Å; D2802-S3033 WeakPolarHBondContact OD2-CA 3.43Å; D2802-S3033 WeakPolarHBondContact OD2-CB 3.41Å; D2802-S3033 PolarHBondContact OD2-OG 3.26Å; V3027-S3033 WeakPolarHBondContact O-CB 3.36Å; V3027-S3033 PolarHBondContact O-OG 3.02Å; G3028-S3033 WeakPolarHBondContact CA-OG 3.1Å; E3030-S3033 VanDerWaalsContact O-CB 3.3Å; E3030-S3033 WeakPolarHBondContact O-CB 3.37Å; E3030-S3033 PolarHBondContact O-N 3.14Å; E3030-S3033 VanDerWaalsContact O-N 3.16Å; N3031-S3033 VanDerWaalsContact C-N 3.29Å; N3031-S3033 PolarHBondContact O-N 2.98Å; S3033-I3035 VanDerWaalsContact C-N 3.3Å; S3033-I3035 WeakPolarHBondContact OG-CB 3.41Å; S3033-I3035 PolarHBondContact OG-N 3.15Å; S3033-I3035 VanDerWaalsContact OG-N 3.13Å; S3033-F3036 WeakPolarHBondContact O-CB 3.2Å; S3033-F3036 PolarHBondContact O-N 3.31Å; S3033-F3036 PolarHBondContact OG-N 3.17Å | ||
| 3034 | Y | 77.8 | Confident | 80.9 | Confident | 8.25 Ų | 8.25 | 41.3 Ų | 41.3 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 167.9 | -82.9 | -96.6 | 0 | 0 | 0 | 111.5 | D2802 L2805 R2809 L3009 G3032 F3036 E3037 L3038 L3152 F3157 | D2802-Y3034 WeakPolarHBondContact OD1-CA 3.28Å; D2802-Y3034 WeakPolarHBondContact OD1-CB 3.36Å; D2802-Y3034 PolarHBondContact OD1-N 3.17Å; L2805-Y3034 VanDerWaalsContact C-CE2 3.47Å; L2805-Y3034 HydrophobicContact CB-CD1 4.2Å; L2805-Y3034 HydrophobicContact CB-CD2 3.61Å; L2805-Y3034 VanDerWaalsContact CB-CD2 3.5Å; L2805-Y3034 HydrophobicContact CB-CE1 4.1Å; L2805-Y3034 HydrophobicContact CB-CE2 3.78Å; L2805-Y3034 HydrophobicContact CB-CG 4.07Å; L2805-Y3034 HydrophobicContact CD1-CD1 4.38Å; L2805-Y3034 HydrophobicContact CD1-CG 4.22Å; L2805-Y3034 WeakPolarHBondContact O-CE2 3.33Å; L2805-Y3034 PolarHBondContact O-OH 2.58Å; R2809-Y3034 HydrophobicContact CB-CE2 4.22Å; R2809-Y3034 WeakPolarHBondContact CB-OH 3.41Å; R2809-Y3034 VanDerWaalsContact CD-OH 3.27Å; R2809-Y3034 WeakPolarHBondContact CD-OH 3.42Å; R2809-Y3034 VanDerWaalsContact CG-OH 3.27Å; R2809-Y3034 WeakPolarHBondContact CG-OH 3.3Å; R2809-Y3034 PolarHBondContact NH1-OH 3.17Å; R2809-Y3034 VanDerWaalsContact NH1-OH 3.1Å; L3009-Y3034 HydrophobicContact CD1-CD1 4.34Å; L3009-Y3034 HydrophobicContact CD1-CE1 4.04Å; L3009-Y3034 HydrophobicContact CD2-CD1 4.28Å; L3009-Y3034 HydrophobicContact CD2-CE1 4.49Å; G3032-Y3034 PolarHBondContact O-N 3.27Å; Y3034-F3036 PolarHBondContact O-N 3.06Å; Y3034-E3037 WeakPolarHBondContact O-CA 3.28Å; Y3034-E3037 WeakPolarHBondContact O-CB 3.5Å; Y3034-E3037 PolarHBondContact O-N 2.99Å; Y3034-E3037 VanDerWaalsContact O-N 3.12Å; Y3034-L3038 WeakPolarHBondContact O-CG 3.34Å; Y3034-L3038 PolarHBondContact O-N 3.09Å; Y3034-L3152 HydrophobicContact CD1-CD1 4Å; Y3034-L3152 HydrophobicContact CD1-CD2 4.07Å; Y3034-L3152 HydrophobicContact CD1-CG 4.09Å; Y3034-L3152 HydrophobicContact CE1-CB 4.32Å; Y3034-L3152 HydrophobicContact CE1-CD1 4.13Å; Y3034-L3152 HydrophobicContact CE1-CD2 3.52Å; Y3034-L3152 HydrophobicContact CE1-CG 3.91Å; Y3034-F3157 HydrophobicContact CD1-CB 4.03Å; Y3034-F3157 AromaticContact CD1-CD1 3.46Å; Y3034-F3157 HydrophobicContact CD1-CD1 3.46Å; Y3034-F3157 VanDerWaalsContact CD1-CD1 3.46Å; Y3034-F3157 AromaticContact CD1-CD2 3.61Å; Y3034-F3157 HydrophobicContact CD1-CD2 3.61Å; Y3034-F3157 AromaticContact CD1-CE1 3.73Å; Y3034-F3157 HydrophobicContact CD1-CE1 3.73Å; Y3034-F3157 AromaticContact CD1-CE2 3.89Å; Y3034-F3157 HydrophobicContact CD1-CE2 3.89Å; Y3034-F3157 AromaticContact CD1-CG 3.39Å; Y3034-F3157 HydrophobicContact CD1-CG 3.39Å; Y3034-F3157 AromaticContact CD1-CZ 3.93Å; Y3034-F3157 HydrophobicContact CD1-CZ 3.93Å; Y3034-F3157 HydrophobicContact CE1-CB 3.68Å; Y3034-F3157 HydrophobicContact CE1-CD1 4.02Å; Y3034-F3157 AromaticContact CE1-CD2 3.58Å; Y3034-F3157 HydrophobicContact CE1-CD2 3.58Å; Y3034-F3157 HydrophobicContact CE1-CE2 4.24Å; Y3034-F3157 AromaticContact CE1-CG 3.46Å; Y3034-F3157 HydrophobicContact CE1-CG 3.46Å; Y3034-F3157 VanDerWaalsContact CE1-CG 3.46Å; Y3034-F3157 HydrophobicContact CG-CD1 4.26Å; Y3034-F3157 HydrophobicContact CG-CE1 4.44Å |
| 3035 | I | 83.8 | Confident | 81.2 | Confident | 0.25 Ų | 0.25 | 42.1 Ų | 42.1 | 0% | 0.001 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -27 | 178.8 | -69.1 | 175.5 | 0 | 0 | 0 | 111.6 | A2798 D2802 F3019 F3023 T3024 V3027 S3033 L3038 G3039 | A2798-I3035 HydrophobicContact CB-CD1 3.99Å; D2802-I3035 HydrophobicContact CB-CD1 3.91Å; D2802-I3035 HydrophobicContact CB-CG1 4.31Å; D2802-I3035 PolarHBondContact OD1-N 3.06Å; D2802-I3035 VanDerWaalsContact OD1-N 3.11Å; F3019-I3035 HydrophobicContact CB-CD1 4Å; F3019-I3035 HydrophobicContact CB-CG1 4.4Å; F3019-I3035 HydrophobicContact CD2-CD1 4.39Å; F3023-I3035 HydrophobicContact CB-CG2 4.47Å; T3024-I3035 PolarHBondContact OG1-O 3.42Å; V3027-I3035 HydrophobicContact CB-CD1 4.33Å; V3027-I3035 HydrophobicContact CB-CG2 4.39Å; V3027-I3035 HydrophobicContact CG1-CD1 3.81Å; S3033-I3035 VanDerWaalsContact C-N 3.3Å; S3033-I3035 WeakPolarHBondContact OG-CB 3.41Å; S3033-I3035 PolarHBondContact OG-N 3.15Å; S3033-I3035 VanDerWaalsContact OG-N 3.13Å; I3035-L3038 HydrophobicContact CG1-CD1 4.21Å; I3035-L3038 CarbonylContact O-C 3.45Å; I3035-L3038 PolarHBondContact O-N 3.04Å; I3035-G3039 PolarHBondContact O-N 3.18Å; I3035-G3039 VanDerWaalsContact O-N 3.16Å |
| 3036 | F | 81.3 | Confident | 81.4 | Confident | 51 Ų | 51 | 38.7 Ų | 38.7 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -42.3 | 171.1 | -174.3 | -93.2 | 0 | 0 | 0 | 113.3 | T3024 G3028 S3033 Y3034 L3038 G3039 A3043 R3047 | T3024-F3036 HydrophobicContact CG2-CD2 4.14Å; T3024-F3036 HydrophobicContact CG2-CE2 4.2Å; G3028-F3036 WeakPolarHBondContact O-CB 3.4Å; G3028-F3036 WeakPolarHBondContact O-CD2 3.4Å; S3033-F3036 WeakPolarHBondContact O-CB 3.2Å; S3033-F3036 PolarHBondContact O-N 3.31Å; S3033-F3036 PolarHBondContact OG-N 3.17Å; Y3034-F3036 PolarHBondContact O-N 3.06Å; F3036-L3038 VanDerWaalsContact C-N 3.28Å; F3036-L3038 PolarHBondContact O-N 2.94Å; F3036-G3039 WeakPolarHBondContact O-CA 3.25Å; F3036-G3039 PolarHBondContact O-N 3.23Å; F3036-G3039 VanDerWaalsContact O-N 3.1Å; F3036-A3043 HydrophobicContact CD2-CB 4.46Å; F3036-A3043 HydrophobicContact CE2-CB 4.15Å; F3036-A3043 HydrophobicContact CZ-CB 4.32Å; F3036-A3043 WeakPolarHBondContact CZ-O 3.28Å; F3036-R3047 VanDerWaalsContact CE1-CD 3.47Å; F3036-R3047 HydrophobicContact CE2-CB 4.49Å; F3036-R3047 HydrophobicContact CZ-CB 3.85Å; F3036-R3047 HydrophobicContact CZ-CG 4.34Å |
| 3037 | E | 74.4 | Confident | 81.4 | Confident | 52.25 Ų | 52.25 | 41 Ų | 41 | 24% | 0.244 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.6 | -27.2 | 177.2 | -65.1 | -159.9 | 175.6 | 0 | 0 | 112.4 | Y3034 G3039 K3044 D3149 S3150 L3152 F3157 | Y3034-E3037 WeakPolarHBondContact O-CA 3.28Å; Y3034-E3037 WeakPolarHBondContact O-CB 3.5Å; Y3034-E3037 PolarHBondContact O-N 2.99Å; Y3034-E3037 VanDerWaalsContact O-N 3.12Å; E3037-G3039 VanDerWaalsContact C-N 3.28Å; E3037-K3044 VanDerWaalsContact O-CE 3.23Å; E3037-K3044 WeakPolarHBondContact O-CE 3.38Å; E3037-K3044 PolarHBondContact O-NZ 2.96Å; E3037-D3149 HydrophobicContact CG-CB 4.22Å; E3037-D3149 WeakPolarHBondContact OE1-CB 3.31Å; E3037-D3149 WeakPolarHBondContact OE2-CB 3.24Å; E3037-S3150 VanDerWaalsContact OE1-CA 3.32Å; E3037-S3150 WeakPolarHBondContact OE1-CA 3.24Å; E3037-S3150 VanDerWaalsContact OE1-CB 3.31Å; E3037-S3150 WeakPolarHBondContact OE1-CB 3.42Å; E3037-S3150 PolarHBondContact OE1-N 3.31Å; E3037-S3150 PolarHBondContact OE1-OG 3.37Å; E3037-S3150 VanDerWaalsContact OE2-CB 3.25Å; E3037-S3150 WeakPolarHBondContact OE2-CB 3.04Å; E3037-S3150 PolarHBondContact OE2-OG 3.39Å; E3037-L3152 VanDerWaalsContact CD-CD1 3.47Å; E3037-L3152 HydrophobicContact CG-CD1 4.31Å; E3037-L3152 VanDerWaalsContact OE2-CB 3.3Å; E3037-L3152 WeakPolarHBondContact OE2-CB 3.42Å; E3037-L3152 WeakPolarHBondContact OE2-CD1 3.31Å; E3037-F3157 HydrophobicContact CB-CD1 3.72Å; E3037-F3157 HydrophobicContact CB-CE1 3.85Å; E3037-F3157 HydrophobicContact CG-CD1 4.4Å; E3037-F3157 WeakPolarHBondContact OE2-CA 3.4Å; E3037-F3157 WeakPolarHBondContact OE2-CD1 3.47Å |
| 3038 | L | 77 | Confident | 81.7 | Confident | 30.25 Ų | 30.25 | 44.1 Ų | 44.1 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.1 | -12 | 171.5 | -63.5 | 170.2 | 0 | 0 | 0 | 113.3 | L2892 L3016 Y3034 I3035 F3036 G3040 F3157 | L2892-L3038 HydrophobicContact CD1-CD2 3.64Å; L2892-L3038 HydrophobicContact CD2-CD1 4.19Å; L2892-L3038 HydrophobicContact CD2-CD2 3.76Å; L2892-L3038 HydrophobicContact CG-CD2 4.3Å; L3016-L3038 HydrophobicContact CB-CD1 3.8Å; L3016-L3038 HydrophobicContact CB-CD2 4.03Å; L3016-L3038 HydrophobicContact CD2-CD1 3.81Å; L3016-L3038 HydrophobicContact CG-CD1 4.34Å; Y3034-L3038 WeakPolarHBondContact O-CG 3.34Å; Y3034-L3038 PolarHBondContact O-N 3.09Å; I3035-L3038 HydrophobicContact CG1-CD1 4.21Å; I3035-L3038 CarbonylContact O-C 3.45Å; I3035-L3038 PolarHBondContact O-N 3.04Å; F3036-L3038 VanDerWaalsContact C-N 3.28Å; F3036-L3038 PolarHBondContact O-N 2.94Å; L3038-G3040 PolarHBondContact O-N 3.12Å; L3038-G3040 VanDerWaalsContact O-N 3.14Å; L3038-F3157 HydrophobicContact CD1-CE1 4.46Å; L3038-F3157 HydrophobicContact CD1-CZ 4.26Å; L3038-F3157 HydrophobicContact CD2-CE1 4.36Å; L3038-F3157 HydrophobicContact CD2-CZ 3.89Å; L3038-F3157 HydrophobicContact CG-CE1 3.93Å; L3038-F3157 HydrophobicContact CG-CZ 3.88Å |
| 3039 | G | 73.3 | Confident | 82.1 | Confident | 7.25 Ų | 7.25 | 49.2 Ų | 49.2 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | trans | -61.8 | 65.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T3024 I3035 F3036 E3037 A3043 K3044 | T3024-G3039 WeakPolarHBondContact OG1-CA 3.38Å; I3035-G3039 PolarHBondContact O-N 3.18Å; I3035-G3039 VanDerWaalsContact O-N 3.16Å; F3036-G3039 WeakPolarHBondContact O-CA 3.25Å; F3036-G3039 PolarHBondContact O-N 3.23Å; F3036-G3039 VanDerWaalsContact O-N 3.1Å; E3037-G3039 VanDerWaalsContact C-N 3.28Å; G3039-A3043 WeakPolarHBondContact O-CB 3.38Å; G3039-A3043 PolarHBondContact O-N 2.85Å; G3039-K3044 WeakPolarHBondContact O-CE 3.32Å; G3039-K3044 PolarHBondContact O-NZ 3.08Å | ||
| 3040 | G | 80.8 | Confident | 82.5 | Confident | 36.75 Ų | 36.75 | 52.7 Ų | 52.7 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | 0.5 | -167.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | L3038 S3042 A3043 K3044 | L3038-G3040 PolarHBondContact O-N 3.12Å; L3038-G3040 VanDerWaalsContact O-N 3.14Å; G3040-S3042 VanDerWaalsContact C-N 3.32Å; G3040-S3042 PolarHBondContact O-N 3.09Å; G3040-S3042 VanDerWaalsContact O-N 3.16Å; G3040-A3043 WeakPolarHBondContact O-CB 3.4Å; G3040-A3043 PolarHBondContact O-N 2.87Å; G3040-A3043 VanDerWaalsContact O-N 3.11Å; G3040-K3044 WeakPolarHBondContact O-CG 3.49Å; G3040-K3044 PolarHBondContact O-N 3.25Å |
| 3041 | F | 87.1 | Confident | 82.8 | Confident | 69.75 Ų | 69.75 | 52.5 Ų | 52.5 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -52 | -51.8 | -175.9 | 174.4 | -101.9 | 0 | 0 | 0 | 112.7 | P2919 A3043 K3044 E3045 D3797 L3800 L3801 A3875 | P2919-F3041 HydrophobicContact CB-CD1 3.89Å; P2919-F3041 HydrophobicContact CB-CE1 4.16Å; P2919-F3041 HydrophobicContact CG-CE1 4.46Å; F3041-A3043 VanDerWaalsContact C-N 3.27Å; F3041-A3043 PolarHBondContact O-N 3.24Å; F3041-A3043 VanDerWaalsContact O-N 3.13Å; F3041-K3044 PolarHBondContact O-N 3.05Å; F3041-K3044 VanDerWaalsContact O-N 3.14Å; F3041-E3045 HydrophobicContact CD1-CB 4.4Å; F3041-E3045 HydrophobicContact CD2-CB 4.49Å; F3041-E3045 HydrophobicContact CE1-CB 4.04Å; F3041-E3045 HydrophobicContact CE1-CG 4.04Å; F3041-E3045 VanDerWaalsContact CE1-OE2 3.3Å; F3041-E3045 WeakPolarHBondContact CE1-OE2 3.35Å; F3041-E3045 HydrophobicContact CE2-CB 4.31Å; F3041-E3045 HydrophobicContact CE2-CG 4.33Å; F3041-E3045 HydrophobicContact CZ-CB 3.99Å; F3041-E3045 HydrophobicContact CZ-CG 3.87Å; F3041-E3045 VanDerWaalsContact O-CB 3.27Å; F3041-E3045 WeakPolarHBondContact O-CB 3.38Å; F3041-E3045 PolarHBondContact O-N 3.15Å; F3041-D3797 HydrophobicContact CD2-CB 4.24Å; F3041-D3797 HydrophobicContact CE2-CB 4.48Å; F3041-L3800 HydrophobicContact CD1-CD1 4.22Å; F3041-L3800 HydrophobicContact CD2-CB 4.18Å; F3041-L3800 HydrophobicContact CD2-CD1 3.84Å; F3041-L3800 HydrophobicContact CE1-CB 4.33Å; F3041-L3800 HydrophobicContact CE1-CD1 4.38Å; F3041-L3800 HydrophobicContact CE2-CB 3.49Å; F3041-L3800 VanDerWaalsContact CE2-CB 3.49Å; F3041-L3800 HydrophobicContact CE2-CD1 4Å; F3041-L3800 HydrophobicContact CE2-CG 4.42Å; F3041-L3800 HydrophobicContact CG-CD1 3.95Å; F3041-L3800 HydrophobicContact CZ-CB 3.58Å; F3041-L3800 HydrophobicContact CZ-CD1 4.27Å; F3041-L3801 HydrophobicContact CE2-CG 4.11Å; F3041-L3801 HydrophobicContact CZ-CD2 4.37Å; F3041-L3801 HydrophobicContact CZ-CG 4.29Å; F3041-A3875 HydrophobicContact CE1-CB 3.5Å; F3041-A3875 HydrophobicContact CZ-CB 3.67Å |
| 3042 | S | 85.7 | Confident | 83.4 | Confident | 66.75 Ų | 66.75 | 48.9 Ų | 48.9 | 47% | 0.467 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.5 | -32.8 | -176.4 | -47.9 | 0 | 0 | 0 | 0 | 114.3 | G3040 G3046 | G3040-S3042 VanDerWaalsContact C-N 3.32Å; G3040-S3042 PolarHBondContact O-N 3.09Å; G3040-S3042 VanDerWaalsContact O-N 3.16Å; S3042-G3046 PolarHBondContact O-N 3.07Å |
| 3043 | A | 83.4 | Confident | 84.1 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 12% | 0.116 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T3024 F3036 G3039 G3040 F3041 G3046 R3047 | T3024-A3043 HydrophobicContact CG2-CB 3.56Å; T3024-A3043 VanDerWaalsContact CG2-CB 3.45Å; F3036-A3043 HydrophobicContact CD2-CB 4.46Å; F3036-A3043 HydrophobicContact CE2-CB 4.15Å; F3036-A3043 HydrophobicContact CZ-CB 4.32Å; F3036-A3043 WeakPolarHBondContact CZ-O 3.28Å; G3039-A3043 WeakPolarHBondContact O-CB 3.38Å; G3039-A3043 PolarHBondContact O-N 2.85Å; G3040-A3043 WeakPolarHBondContact O-CB 3.4Å; G3040-A3043 PolarHBondContact O-N 2.87Å; G3040-A3043 VanDerWaalsContact O-N 3.11Å; F3041-A3043 VanDerWaalsContact C-N 3.27Å; F3041-A3043 PolarHBondContact O-N 3.24Å; F3041-A3043 VanDerWaalsContact O-N 3.13Å; A3043-G3046 PolarHBondContact O-N 3.4Å; A3043-R3047 PolarHBondContact O-N 3.11Å; A3043-R3047 VanDerWaalsContact O-N 3.16Å |
| 3044 | K | 85.1 | Confident | 84.5 | Confident | 60.25 Ų | 60.25 | 58.4 Ų | 58.4 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 179.7 | -66.6 | 177.7 | 178.9 | -178 | 0 | 111.4 | E3037 G3039 G3040 F3041 G3046 R3047 F3048 G3792 L3793 D3797 | E3037-K3044 VanDerWaalsContact O-CE 3.23Å; E3037-K3044 WeakPolarHBondContact O-CE 3.38Å; E3037-K3044 PolarHBondContact O-NZ 2.96Å; G3039-K3044 WeakPolarHBondContact O-CE 3.32Å; G3039-K3044 PolarHBondContact O-NZ 3.08Å; G3040-K3044 WeakPolarHBondContact O-CG 3.49Å; G3040-K3044 PolarHBondContact O-N 3.25Å; F3041-K3044 PolarHBondContact O-N 3.05Å; F3041-K3044 VanDerWaalsContact O-N 3.14Å; K3044-G3046 VanDerWaalsContact C-N 3.32Å; K3044-G3046 PolarHBondContact O-N 3.1Å; K3044-R3047 CarbonylContact O-C 3.55Å; K3044-R3047 WeakPolarHBondContact O-CA 3.33Å; K3044-R3047 WeakPolarHBondContact O-CB 3.26Å; K3044-R3047 PolarHBondContact O-N 3.24Å; K3044-F3048 WeakPolarHBondContact O-CB 3.36Å; K3044-F3048 PolarHBondContact O-N 3.22Å; K3044-G3792 WeakPolarHBondContact CE-O 3.45Å; K3044-G3792 PolarHBondContact NZ-O 3.2Å; K3044-L3793 HydrophobicContact CB-CD2 4.25Å; K3044-D3797 WeakPolarHBondContact CD-OD2 3.5Å; K3044-D3797 WeakPolarHBondContact CE-OD2 3.33Å; K3044-D3797 IonicContact NZ-OD2 3.95Å; K3044-D3797 PolarHBondContact NZ-OD2 3.44Å |
| 3045 | E | 88.9 | Confident | 84.9 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.2 | -171.8 | -148.7 | -176.6 | 0 | 0 | 111.1 | F3041 R3047 F3048 R3049 L3801 S3876 | F3041-E3045 HydrophobicContact CD1-CB 4.4Å; F3041-E3045 HydrophobicContact CD2-CB 4.49Å; F3041-E3045 HydrophobicContact CE1-CB 4.04Å; F3041-E3045 HydrophobicContact CE1-CG 4.04Å; F3041-E3045 VanDerWaalsContact CE1-OE2 3.3Å; F3041-E3045 WeakPolarHBondContact CE1-OE2 3.35Å; F3041-E3045 HydrophobicContact CE2-CB 4.31Å; F3041-E3045 HydrophobicContact CE2-CG 4.33Å; F3041-E3045 HydrophobicContact CZ-CB 3.99Å; F3041-E3045 HydrophobicContact CZ-CG 3.87Å; F3041-E3045 VanDerWaalsContact O-CB 3.27Å; F3041-E3045 WeakPolarHBondContact O-CB 3.38Å; F3041-E3045 PolarHBondContact O-N 3.15Å; E3045-R3047 VanDerWaalsContact C-N 3.29Å; E3045-R3047 PolarHBondContact O-N 3.31Å; E3045-F3048 CarbonylContact O-C 3.3Å; E3045-F3048 PolarHBondContact O-N 3.04Å; E3045-F3048 VanDerWaalsContact O-N 3.12Å; E3045-R3049 VanDerWaalsContact CD-NE 3.29Å; E3045-R3049 VanDerWaalsContact CD-NH2 3.29Å; E3045-R3049 HydrophobicContact CG-CG 4.32Å; E3045-R3049 WeakPolarHBondContact O-CB 3.21Å; E3045-R3049 VanDerWaalsContact O-CG 3.22Å; E3045-R3049 WeakPolarHBondContact O-CG 3.29Å; E3045-R3049 PolarHBondContact O-N 3.08Å; E3045-R3049 IonicContact OE1-CZ 3.37Å; E3045-R3049 IonicContact OE1-NE 3.38Å; E3045-R3049 PolarHBondContact OE1-NE 3.21Å; E3045-R3049 IonicContact OE1-NH2 3.44Å; E3045-R3049 PolarHBondContact OE1-NH2 2.88Å; E3045-R3049 IonicContact OE2-CZ 3.21Å; E3045-R3049 IonicContact OE2-NE 3.37Å; E3045-R3049 PolarHBondContact OE2-NE 3.4Å; E3045-R3049 IonicContact OE2-NH2 2.78Å; E3045-R3049 PolarHBondContact OE2-NH2 3.03Å; E3045-L3801 HydrophobicContact CB-CD2 4.45Å; E3045-L3801 HydrophobicContact CG-CD2 4.04Å; E3045-S3876 WeakPolarHBondContact OE1-CB 3.39Å; E3045-S3876 PolarHBondContact OE1-OG 2.71Å; E3045-S3876 VanDerWaalsContact OE2-CB 3.25Å; E3045-S3876 WeakPolarHBondContact OE2-CB 3.36Å; E3045-S3876 PolarHBondContact OE2-OG 3.44Å; E3045-S3876 VanDerWaalsContact OE2-OG 3.06Å |
| 3046 | G | 86.9 | Confident | 85.1 | Confident | 26.25 Ų | 26.25 | 64.1 Ų | 64.1 | 27% | 0.271 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -34.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S3042 A3043 K3044 K3050 | S3042-G3046 PolarHBondContact O-N 3.07Å; A3043-G3046 PolarHBondContact O-N 3.4Å; K3044-G3046 VanDerWaalsContact C-N 3.32Å; K3044-G3046 PolarHBondContact O-N 3.1Å; G3046-K3050 WeakPolarHBondContact O-CB 3.2Å; G3046-K3050 VanDerWaalsContact O-CD 3.31Å; G3046-K3050 WeakPolarHBondContact O-CD 3.38Å; G3046-K3050 VanDerWaalsContact O-CE 3.31Å; G3046-K3050 WeakPolarHBondContact O-CE 3.47Å; G3046-K3050 VanDerWaalsContact O-CG 3.25Å; G3046-K3050 WeakPolarHBondContact O-CG 3.36Å; G3046-K3050 PolarHBondContact O-N 3.07Å |
| 3047 | R | 84.3 | Confident | 85.5 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.8 | -45.5 | 171.6 | 180 | 178.4 | 179.2 | -98.5 | 10.1 | 111.6 | F3036 A3043 K3044 E3045 K3050 Q3051 T3147 D3149 D3791 | F3036-R3047 VanDerWaalsContact CE1-CD 3.47Å; F3036-R3047 HydrophobicContact CE2-CB 4.49Å; F3036-R3047 HydrophobicContact CZ-CB 3.85Å; F3036-R3047 HydrophobicContact CZ-CG 4.34Å; A3043-R3047 PolarHBondContact O-N 3.11Å; A3043-R3047 VanDerWaalsContact O-N 3.16Å; K3044-R3047 CarbonylContact O-C 3.55Å; K3044-R3047 WeakPolarHBondContact O-CA 3.33Å; K3044-R3047 WeakPolarHBondContact O-CB 3.26Å; K3044-R3047 PolarHBondContact O-N 3.24Å; E3045-R3047 VanDerWaalsContact C-N 3.29Å; E3045-R3047 PolarHBondContact O-N 3.31Å; R3047-K3050 PolarHBondContact O-N 3.19Å; R3047-Q3051 WeakPolarHBondContact O-CB 3.5Å; R3047-Q3051 PolarHBondContact O-N 3.27Å; R3047-T3147 PolarHBondContact NH2-OG1 3.06Å; R3047-D3149 IonicContact NH2-OD2 3.8Å; R3047-D3791 PolarHBondContact NH1-O 3.38Å |
| 3048 | F | 89.3 | Confident | 86.1 | Confident | 65.25 Ų | 65.25 | 67.2 Ų | 67.2 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | -179.5 | -178.5 | -100.5 | 0 | 0 | 0 | 112.1 | K3044 E3045 K3050 Q3051 M3052 L3649 A3789 L3790 L3793 L3801 | K3044-F3048 WeakPolarHBondContact O-CB 3.36Å; K3044-F3048 PolarHBondContact O-N 3.22Å; E3045-F3048 CarbonylContact O-C 3.3Å; E3045-F3048 PolarHBondContact O-N 3.04Å; E3045-F3048 VanDerWaalsContact O-N 3.12Å; F3048-K3050 VanDerWaalsContact C-N 3.32Å; F3048-K3050 PolarHBondContact O-N 3.14Å; F3048-Q3051 CarbonylContact O-C 3.49Å; F3048-Q3051 WeakPolarHBondContact O-CA 3.15Å; F3048-Q3051 WeakPolarHBondContact O-CB 3.43Å; F3048-Q3051 PolarHBondContact O-N 3.27Å; F3048-M3052 HydrophobicContact CD1-CG 4.04Å; F3048-M3052 HydrophobicContact CD2-CE 4.33Å; F3048-M3052 HydrophobicContact CD2-CG 4.41Å; F3048-M3052 HydrophobicContact CE1-CG 3.58Å; F3048-M3052 HydrophobicContact CE1-SD 4.4Å; F3048-M3052 HydrophobicContact CE2-CE 3.77Å; F3048-M3052 HydrophobicContact CE2-CG 4.01Å; F3048-M3052 HydrophobicContact CE2-SD 4.12Å; F3048-M3052 HydrophobicContact CG-CG 4.45Å; F3048-M3052 HydrophobicContact CZ-CE 4.12Å; F3048-M3052 HydrophobicContact CZ-CG 3.56Å; F3048-M3052 HydrophobicContact CZ-SD 3.83Å; F3048-M3052 WeakPolarHBondContact O-CG 3.37Å; F3048-M3052 PolarHBondContact O-N 2.98Å; F3048-L3649 HydrophobicContact CE1-CD2 4.26Å; F3048-L3649 HydrophobicContact CZ-CB 4.2Å; F3048-L3649 HydrophobicContact CZ-CD2 4.33Å; F3048-A3789 WeakPolarHBondContact CD2-O 3.45Å; F3048-A3789 VanDerWaalsContact CE2-O 3.32Å; F3048-A3789 WeakPolarHBondContact CE2-O 3Å; F3048-L3790 HydrophobicContact CE2-CD2 3.95Å; F3048-L3790 HydrophobicContact CZ-CD2 4.33Å; F3048-L3793 HydrophobicContact CD2-CD1 3.88Å; F3048-L3793 HydrophobicContact CE2-CD1 4.05Å; F3048-L3793 HydrophobicContact CG-CD1 4.36Å; F3048-L3801 HydrophobicContact CD1-CD1 3.74Å; F3048-L3801 HydrophobicContact CD1-CD2 3.88Å; F3048-L3801 HydrophobicContact CD1-CG 4.41Å; F3048-L3801 HydrophobicContact CE1-CD1 4.11Å; F3048-L3801 HydrophobicContact CE1-CD2 4.37Å; F3048-L3801 HydrophobicContact CG-CD1 4.09Å |
| 3049 | R | 91.2 | Very high | 86.4 | Confident | 115 Ų | 115 | 66.3 Ų | 66.3 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.6 | -45.1 | 175.6 | -69.9 | -175.9 | -164.2 | -150 | 10.2 | 111.6 | E3045 Q3051 M3052 E3053 N3652 S3876 Q3878 G3879 | E3045-R3049 VanDerWaalsContact CD-NE 3.29Å; E3045-R3049 VanDerWaalsContact CD-NH2 3.29Å; E3045-R3049 HydrophobicContact CG-CG 4.32Å; E3045-R3049 WeakPolarHBondContact O-CB 3.21Å; E3045-R3049 VanDerWaalsContact O-CG 3.22Å; E3045-R3049 WeakPolarHBondContact O-CG 3.29Å; E3045-R3049 PolarHBondContact O-N 3.08Å; E3045-R3049 IonicContact OE1-CZ 3.37Å; E3045-R3049 IonicContact OE1-NE 3.38Å; E3045-R3049 PolarHBondContact OE1-NE 3.21Å; E3045-R3049 IonicContact OE1-NH2 3.44Å; E3045-R3049 PolarHBondContact OE1-NH2 2.88Å; E3045-R3049 IonicContact OE2-CZ 3.21Å; E3045-R3049 IonicContact OE2-NE 3.37Å; E3045-R3049 PolarHBondContact OE2-NE 3.4Å; E3045-R3049 IonicContact OE2-NH2 2.78Å; E3045-R3049 PolarHBondContact OE2-NH2 3.03Å; R3049-Q3051 VanDerWaalsContact C-N 3.28Å; R3049-Q3051 PolarHBondContact O-N 3.15Å; R3049-M3052 PolarHBondContact O-N 3.06Å; R3049-E3053 WeakPolarHBondContact O-CB 3.3Å; R3049-E3053 PolarHBondContact O-N 3.17Å; R3049-N3652 WeakPolarHBondContact CG-OD1 3.47Å; R3049-N3652 VanDerWaalsContact NH1-CG 3.33Å; R3049-N3652 PolarHBondContact NH1-ND2 3Å; R3049-N3652 VanDerWaalsContact NH1-ND2 3.17Å; R3049-N3652 PolarHBondContact NH1-OD1 2.85Å; R3049-S3876 PolarHBondContact NH2-OG 2.61Å; R3049-S3876 VanDerWaalsContact NH2-OG 3.16Å; R3049-Q3878 PolarHBondContact NH1-O 3.16Å; R3049-G3879 VanDerWaalsContact NH1-N 3.1Å; R3049-G3879 VanDerWaalsContact NH2-CA 3.34Å |
| 3050 | K | 90.1 | Very high | 86.7 | Confident | 139.75 Ų | 139.75 | 77 Ų | 77 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.8 | -33.7 | 174.8 | -71.8 | 171.3 | -174 | 172.2 | 0 | 112.7 | G3046 R3047 F3048 R3054 | G3046-K3050 WeakPolarHBondContact O-CB 3.2Å; G3046-K3050 VanDerWaalsContact O-CD 3.31Å; G3046-K3050 WeakPolarHBondContact O-CD 3.38Å; G3046-K3050 VanDerWaalsContact O-CE 3.31Å; G3046-K3050 WeakPolarHBondContact O-CE 3.47Å; G3046-K3050 VanDerWaalsContact O-CG 3.25Å; G3046-K3050 WeakPolarHBondContact O-CG 3.36Å; G3046-K3050 PolarHBondContact O-N 3.07Å; R3047-K3050 PolarHBondContact O-N 3.19Å; F3048-K3050 VanDerWaalsContact C-N 3.32Å; F3048-K3050 PolarHBondContact O-N 3.14Å; K3050-R3054 WeakPolarHBondContact O-CD 3.36Å; K3050-R3054 VanDerWaalsContact O-CG 3.29Å; K3050-R3054 WeakPolarHBondContact O-CG 3.34Å; K3050-R3054 PolarHBondContact O-N 3.23Å; K3050-R3054 VanDerWaalsContact O-N 3.1Å |
| 3051 | Q | 85.7 | Confident | 86.9 | Confident | 46.25 Ų | 46.25 | 81.1 Ų | 81.1 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.6 | -41.9 | 177.8 | -171.5 | 149.4 | -10.1 | 0 | 0 | 112.2 | R3047 F3048 R3049 E3053 R3054 L3055 L3142 L3143 N3788 | R3047-Q3051 WeakPolarHBondContact O-CB 3.5Å; R3047-Q3051 PolarHBondContact O-N 3.27Å; F3048-Q3051 CarbonylContact O-C 3.49Å; F3048-Q3051 WeakPolarHBondContact O-CA 3.15Å; F3048-Q3051 WeakPolarHBondContact O-CB 3.43Å; F3048-Q3051 PolarHBondContact O-N 3.27Å; R3049-Q3051 VanDerWaalsContact C-N 3.28Å; R3049-Q3051 PolarHBondContact O-N 3.15Å; Q3051-E3053 VanDerWaalsContact C-N 3.33Å; Q3051-E3053 PolarHBondContact O-N 3.14Å; Q3051-R3054 WeakPolarHBondContact O-CB 3.34Å; Q3051-R3054 PolarHBondContact O-N 2.92Å; Q3051-L3055 PolarHBondContact O-N 2.95Å; Q3051-L3142 HydrophobicContact CG-CD1 4.08Å; Q3051-L3143 PolarHBondContact NE2-O 3.08Å; Q3051-N3788 PolarHBondContact NE2-O 3.05Å; Q3051-N3788 VanDerWaalsContact NE2-O 3.17Å |
| 3052 | M | 88.1 | Confident | 87 | Confident | 36.75 Ų | 36.75 | 80.1 Ų | 80.1 | 18% | 0.181 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 173.8 | -68.3 | -56.6 | 104.5 | 0 | 0 | 111.5 | F3048 R3049 R3054 L3055 R3056 L3142 L3650 L3785 A3789 | F3048-M3052 HydrophobicContact CD1-CG 4.04Å; F3048-M3052 HydrophobicContact CD2-CE 4.33Å; F3048-M3052 HydrophobicContact CD2-CG 4.41Å; F3048-M3052 HydrophobicContact CE1-CG 3.58Å; F3048-M3052 HydrophobicContact CE1-SD 4.4Å; F3048-M3052 HydrophobicContact CE2-CE 3.77Å; F3048-M3052 HydrophobicContact CE2-CG 4.01Å; F3048-M3052 HydrophobicContact CE2-SD 4.12Å; F3048-M3052 HydrophobicContact CG-CG 4.45Å; F3048-M3052 HydrophobicContact CZ-CE 4.12Å; F3048-M3052 HydrophobicContact CZ-CG 3.56Å; F3048-M3052 HydrophobicContact CZ-SD 3.83Å; F3048-M3052 WeakPolarHBondContact O-CG 3.37Å; F3048-M3052 PolarHBondContact O-N 2.98Å; R3049-M3052 PolarHBondContact O-N 3.06Å; M3052-R3054 VanDerWaalsContact C-N 3.33Å; M3052-R3054 PolarHBondContact O-N 3.14Å; M3052-L3055 HydrophobicContact CE-CD2 4.32Å; M3052-L3055 PolarHBondContact O-N 3.11Å; M3052-L3055 HydrophobicContact SD-CD2 4.49Å; M3052-R3056 VanDerWaalsContact O-CB 3.27Å; M3052-R3056 WeakPolarHBondContact O-CB 3.28Å; M3052-R3056 PolarHBondContact O-N 3.17Å; M3052-L3142 HydrophobicContact CE-CD1 3.96Å; M3052-L3650 HydrophobicContact SD-CD1 4.43Å; M3052-L3785 HydrophobicContact SD-CD2 3.66Å; M3052-A3789 HydrophobicContact CE-CB 3.81Å |
| 3053 | E | 90.2 | Very high | 87.3 | Confident | 80 Ų | 80 | 77.4 Ų | 77.4 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.5 | -177.8 | 109.4 | -133.1 | 0 | 0 | 112.4 | R3049 Q3051 R3056 N3057 | R3049-E3053 WeakPolarHBondContact O-CB 3.3Å; R3049-E3053 PolarHBondContact O-N 3.17Å; Q3051-E3053 VanDerWaalsContact C-N 3.33Å; Q3051-E3053 PolarHBondContact O-N 3.14Å; E3053-R3056 PolarHBondContact O-N 3.1Å; E3053-R3056 IonicContact OE1-CZ 3.04Å; E3053-R3056 IonicContact OE1-NE 2.97Å; E3053-R3056 PolarHBondContact OE1-NE 2.98Å; E3053-R3056 IonicContact OE1-NH2 2.84Å; E3053-R3056 PolarHBondContact OE1-NH2 3.21Å; E3053-R3056 IonicContact OE2-CZ 2.72Å; E3053-R3056 IonicContact OE2-NE 3.74Å; E3053-R3056 PolarHBondContact OE2-NE 3.22Å; E3053-R3056 VanDerWaalsContact OE2-NE 3.16Å; E3053-R3056 IonicContact OE2-NH1 3.69Å; E3053-R3056 IonicContact OE2-NH2 3.35Å; E3053-R3056 PolarHBondContact OE2-NH2 3.11Å; E3053-N3057 VanDerWaalsContact CG-ND2 3.32Å; E3053-N3057 WeakPolarHBondContact CG-ND2 3.3Å; E3053-N3057 VanDerWaalsContact O-CB 3.28Å; E3053-N3057 WeakPolarHBondContact O-CB 3.35Å; E3053-N3057 VanDerWaalsContact O-CG 3.25Å; E3053-N3057 PolarHBondContact O-N 2.96Å; E3053-N3057 PolarHBondContact O-ND2 3.15Å; E3053-N3057 PolarHBondContact OE1-ND2 3.17Å |
| 3054 | R | 89.5 | Confident | 87.7 | Confident | 168 Ų | 168 | 81 Ų | 81 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 174.1 | -72.7 | 165.2 | 179.7 | 177.7 | -1.6 | 111.3 | K3050 Q3051 M3052 R3056 N3057 V3058 L3143 | K3050-R3054 WeakPolarHBondContact O-CD 3.36Å; K3050-R3054 VanDerWaalsContact O-CG 3.29Å; K3050-R3054 WeakPolarHBondContact O-CG 3.34Å; K3050-R3054 PolarHBondContact O-N 3.23Å; K3050-R3054 VanDerWaalsContact O-N 3.1Å; Q3051-R3054 WeakPolarHBondContact O-CB 3.34Å; Q3051-R3054 PolarHBondContact O-N 2.92Å; M3052-R3054 VanDerWaalsContact C-N 3.33Å; M3052-R3054 PolarHBondContact O-N 3.14Å; R3054-R3056 VanDerWaalsContact C-N 3.34Å; R3054-R3056 PolarHBondContact O-N 3.43Å; R3054-N3057 PolarHBondContact O-N 3.13Å; R3054-V3058 WeakPolarHBondContact O-CG2 3.37Å; R3054-V3058 PolarHBondContact O-N 3.14Å; R3054-L3143 HydrophobicContact CB-CD2 3.93Å |
| 3055 | L | 86.2 | Confident | 88 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 178.6 | -178.5 | 59.5 | 0 | 0 | 0 | 112 | Q3051 M3052 N3057 V3058 S3059 T3135 I3179 L3650 L3785 P3786 | Q3051-L3055 PolarHBondContact O-N 2.95Å; M3052-L3055 HydrophobicContact CE-CD2 4.32Å; M3052-L3055 PolarHBondContact O-N 3.11Å; M3052-L3055 HydrophobicContact SD-CD2 4.49Å; L3055-N3057 VanDerWaalsContact C-N 3.34Å; L3055-N3057 PolarHBondContact O-N 3.12Å; L3055-V3058 PolarHBondContact O-N 3.19Å; L3055-S3059 PolarHBondContact O-N 3.12Å; L3055-T3135 HydrophobicContact CD1-CG2 3.74Å; L3055-I3179 HydrophobicContact CD1-CD1 4.09Å; L3055-L3650 HydrophobicContact CB-CD1 4.11Å; L3055-L3650 HydrophobicContact CD2-CD1 3.86Å; L3055-L3650 HydrophobicContact CG-CD1 3.87Å; L3055-L3785 HydrophobicContact CD2-CD2 4.18Å; L3055-P3786 VanDerWaalsContact CD2-CD 3.46Å; L3055-P3786 HydrophobicContact CD2-CG 4.15Å |
| 3056 | R | 89.2 | Confident | 88.2 | Confident | 83.25 Ų | 83.25 | 81.6 Ų | 81.6 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58 | -43.3 | 174.9 | -173.4 | 175.7 | 74.4 | 169.7 | 4.4 | 112 | M3052 E3053 R3054 S3059 R3183 L3650 T3651 | M3052-R3056 VanDerWaalsContact O-CB 3.27Å; M3052-R3056 WeakPolarHBondContact O-CB 3.28Å; M3052-R3056 PolarHBondContact O-N 3.17Å; E3053-R3056 PolarHBondContact O-N 3.1Å; E3053-R3056 IonicContact OE1-CZ 3.04Å; E3053-R3056 IonicContact OE1-NE 2.97Å; E3053-R3056 PolarHBondContact OE1-NE 2.98Å; E3053-R3056 IonicContact OE1-NH2 2.84Å; E3053-R3056 PolarHBondContact OE1-NH2 3.21Å; E3053-R3056 IonicContact OE2-CZ 2.72Å; E3053-R3056 IonicContact OE2-NE 3.74Å; E3053-R3056 PolarHBondContact OE2-NE 3.22Å; E3053-R3056 VanDerWaalsContact OE2-NE 3.16Å; E3053-R3056 IonicContact OE2-NH1 3.69Å; E3053-R3056 IonicContact OE2-NH2 3.35Å; E3053-R3056 PolarHBondContact OE2-NH2 3.11Å; R3054-R3056 VanDerWaalsContact C-N 3.34Å; R3054-R3056 PolarHBondContact O-N 3.43Å; R3056-S3059 PolarHBondContact O-N 3.29Å; R3056-S3059 PolarHBondContact O-OG 3.26Å; R3056-R3183 VanDerWaalsContact CD-O 3.3Å; R3056-R3183 WeakPolarHBondContact CD-O 3.41Å; R3056-R3183 WeakPolarHBondContact CG-O 3.41Å; R3056-R3183 WeakPolarHBondContact O-CA 3.32Å; R3056-L3650 HydrophobicContact CB-CD1 4.17Å; R3056-T3651 PolarHBondContact NH1-O 2.76Å |
| 3057 | N | 88.9 | Confident | 88.5 | Confident | 79.5 Ų | 79.5 | 80.4 Ų | 80.4 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -77.5 | -23.7 | -179.7 | -73.9 | -39.6 | 0 | 0 | 0 | 114.5 | E3053 R3054 L3055 S3059 R3183 | E3053-N3057 VanDerWaalsContact CG-ND2 3.32Å; E3053-N3057 WeakPolarHBondContact CG-ND2 3.3Å; E3053-N3057 VanDerWaalsContact O-CB 3.28Å; E3053-N3057 WeakPolarHBondContact O-CB 3.35Å; E3053-N3057 VanDerWaalsContact O-CG 3.25Å; E3053-N3057 PolarHBondContact O-N 2.96Å; E3053-N3057 PolarHBondContact O-ND2 3.15Å; E3053-N3057 PolarHBondContact OE1-ND2 3.17Å; R3054-N3057 PolarHBondContact O-N 3.13Å; L3055-N3057 VanDerWaalsContact C-N 3.34Å; L3055-N3057 PolarHBondContact O-N 3.12Å; N3057-S3059 VanDerWaalsContact C-N 3.3Å; N3057-R3183 PolarHBondContact OD1-NH1 3.31Å |
| 3058 | V | 86.3 | Confident | 88.8 | Confident | 88.5 Ų | 88.5 | 77.6 Ų | 77.6 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 169.9 | 167 | 0 | 0 | 0 | 0 | 111.1 | R3054 L3055 R3060 T3135 I3140 | R3054-V3058 WeakPolarHBondContact O-CG2 3.37Å; R3054-V3058 PolarHBondContact O-N 3.14Å; L3055-V3058 PolarHBondContact O-N 3.19Å; V3058-R3060 PolarHBondContact O-N 3.02Å; V3058-T3135 HydrophobicContact CG1-CG2 4.23Å; V3058-I3140 HydrophobicContact CG1-CG1 4.5Å |
| 3059 | S | 83.3 | Confident | 88.9 | Confident | 11.25 Ų | 11.25 | 79.2 Ų | 79.2 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | trans | -69.6 | 132.1 | 174.5 | 137.3 | 0 | 0 | 0 | 0 | 111.5 | L3055 R3056 N3057 R3061 S3181 C3182 R3183 | L3055-S3059 PolarHBondContact O-N 3.12Å; R3056-S3059 PolarHBondContact O-N 3.29Å; R3056-S3059 PolarHBondContact O-OG 3.26Å; N3057-S3059 VanDerWaalsContact C-N 3.3Å; S3059-R3061 PolarHBondContact OG-N 3.47Å; S3059-S3181 VanDerWaalsContact CB-OG 3.24Å; S3059-S3181 WeakPolarHBondContact CB-OG 3.43Å; S3059-S3181 PolarHBondContact OG-O 3.11Å; S3059-C3182 PolarHBondContact OG-O 3.08Å; S3059-R3183 WeakPolarHBondContact O-CB 3.43Å; S3059-R3183 WeakPolarHBondContact OG-CA 3.47Å; S3059-R3183 PolarHBondContact OG-N 3Å | ||
| 3060 | R | 80.4 | Confident | 88.9 | Confident | 233.25 Ų | 233.25 | 80.2 Ų | 80.2 | 88% | 0.88 | 36% | 0.361 | S | S | * | . | trans | -98.2 | -0.7 | 179.1 | -65 | -170.7 | 179.5 | -161.6 | -0.1 | 114.1 | V3058 | V3058-R3060 PolarHBondContact O-N 3.02Š| ||
| 3061 | R | 84.8 | Confident | 88.9 | Confident | 122.5 Ų | 122.5 | 75.6 Ų | 75.6 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | trans | -119.2 | 129.5 | -171.1 | -63 | 177.5 | -179 | -171.8 | -4.8 | 109.9 | S3059 Q3092 C3182 R3183 | S3059-R3061 PolarHBondContact OG-N 3.47Å; R3061-Q3092 VanDerWaalsContact CZ-OE1 3.22Å; R3061-C3182 CarbonylContact O-C 3.51Å; R3061-C3182 VanDerWaalsContact O-CA 3.25Å; R3061-C3182 WeakPolarHBondContact O-CA 3.35Å; R3061-R3183 PolarHBondContact O-N 3.22Å | ||
| 3062 | D | 90 | Very high | 89.1 | Confident | 47.75 Ų | 47.75 | 74.1 Ų | 74.1 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | trans | -72.2 | 160.5 | 164.4 | -67.3 | -18.5 | 0 | 0 | 0 | 109.9 | R3089 R3184 K3186 | D3062-R3089 PolarHBondContact O-NH2 3.14Å; D3062-R3184 CarbonylContact C-O 3.46Å; D3062-R3184 VanDerWaalsContact CA-O 3.26Å; D3062-R3184 WeakPolarHBondContact CA-O 3.28Å; D3062-R3184 WeakPolarHBondContact CB-O 3.35Å; D3062-R3184 WeakPolarHBondContact OD1-CB 3.36Å; D3062-R3184 PolarHBondContact OD1-N 3.03Å; D3062-K3186 HydrophobicContact CB-CD 4.42Å; D3062-K3186 VanDerWaalsContact OD2-CE 3.29Å; D3062-K3186 WeakPolarHBondContact OD2-CE 3.38Å; D3062-K3186 IonicContact OD2-NZ 3.09Å; D3062-K3186 PolarHBondContact OD2-NZ 2.93Å | ||
| 3063 | L | 91.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130 | 161.9 | 177.4 | 63.5 | 0 | 0 | 0 | 107.4 | L3065 L3082 E3085 C3182 R3184 I3185 K3186 L3647 | L3063-L3065 HydrophobicContact CD1-CD2 4.22Å; L3063-L3065 HydrophobicContact CD2-CD1 4.28Å; L3063-L3065 HydrophobicContact CD2-CD2 4.42Å; L3063-L3065 HydrophobicContact CD2-CG 4.37Å; L3063-L3065 HydrophobicContact CG-CD2 4.23Å; L3063-L3065 HydrophobicContact CG-CG 4.16Å; L3063-L3082 HydrophobicContact CD2-CD2 4.01Å; L3063-E3085 HydrophobicContact CD1-CB 4.16Å; L3063-E3085 HydrophobicContact CD1-CG 3.84Å; L3063-C3182 HydrophobicContact CB-CB 3.88Å; L3063-R3184 PolarHBondContact N-O 3.06Å; L3063-I3185 HydrophobicContact CB-CG1 4.32Å; L3063-I3185 HydrophobicContact CD2-CG1 4.41Å; L3063-I3185 CarbonylContact O-C 3.42Å; L3063-I3185 WeakPolarHBondContact O-CA 3.45Å; L3063-K3186 PolarHBondContact O-N 3.17Å; L3063-L3647 HydrophobicContact CD2-CD1 3.63Å; L3063-L3647 HydrophobicContact CD2-CD2 3.89Å; L3063-L3647 HydrophobicContact CD2-CG 4.45Å |
| 3064 | V | 91.7 | Very high | 89.5 | Confident | 90.25 Ų | 90.25 | 69.8 Ų | 69.8 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.5 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 108 | K3186 | V3064-K3186 CarbonylContact C-O 3.33Å; V3064-K3186 WeakPolarHBondContact CA-O 3.29Å; V3064-K3186 HydrophobicContact CG2-CB 4.36Å; V3064-K3186 HydrophobicContact CG2-CD 4.37Å |
| 3065 | L | 92.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119 | 178.8 | -60.2 | 175.6 | 0 | 0 | 0 | 109 | L3063 V3067 L3081 L3082 I3185 K3186 V3187 T3188 F3203 | L3063-L3065 HydrophobicContact CD1-CD2 4.22Å; L3063-L3065 HydrophobicContact CD2-CD1 4.28Å; L3063-L3065 HydrophobicContact CD2-CD2 4.42Å; L3063-L3065 HydrophobicContact CD2-CG 4.37Å; L3063-L3065 HydrophobicContact CG-CD2 4.23Å; L3063-L3065 HydrophobicContact CG-CG 4.16Å; L3065-V3067 HydrophobicContact CB-CG2 3.86Å; L3065-L3081 HydrophobicContact CB-CD1 4.47Å; L3065-L3081 HydrophobicContact CD2-CB 3.99Å; L3065-L3081 HydrophobicContact CD2-CD1 4.26Å; L3065-L3082 HydrophobicContact CD2-CD2 4.24Å; L3065-I3185 HydrophobicContact CD1-CG2 4.25Å; L3065-K3186 PolarHBondContact N-O 3.06Å; L3065-V3187 HydrophobicContact CB-CG1 4.41Å; L3065-V3187 HydrophobicContact CB-CG2 4.45Å; L3065-V3187 VanDerWaalsContact O-CA 3.31Å; L3065-V3187 WeakPolarHBondContact O-CA 3.24Å; L3065-T3188 PolarHBondContact O-N 3Å; L3065-F3203 HydrophobicContact CD1-CE1 4.13Å; L3065-F3203 HydrophobicContact CD1-CE2 4.44Å; L3065-F3203 HydrophobicContact CD1-CZ 3.94Å |
| 3066 | E | 92.2 | Very high | 89.9 | Confident | 110.25 Ų | 110.25 | 60.6 Ų | 60.6 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.4 | 173.9 | -175.1 | -163.3 | 133.9 | 0 | 0 | 107.8 | N3077 L3081 T3188 K3190 | E3066-N3077 PolarHBondContact O-ND2 3.12Å; E3066-L3081 VanDerWaalsContact O-CD1 3.29Å; E3066-L3081 WeakPolarHBondContact O-CD1 3.39Å; E3066-T3188 WeakPolarHBondContact CA-O 3.36Å; E3066-K3190 HydrophobicContact CG-CG 4.38Å; E3066-K3190 WeakPolarHBondContact OE1-CE 3.37Å; E3066-K3190 IonicContact OE1-NZ 2.99Å |
| 3067 | V | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.2 | -162.8 | -158.7 | 0 | 0 | 0 | 0 | 110.9 | L3065 L3074 N3077 T3078 V3187 T3188 F3189 K3190 F3203 | L3065-V3067 HydrophobicContact CB-CG2 3.86Å; V3067-L3074 HydrophobicContact CG1-CD1 3.54Å; V3067-L3074 VanDerWaalsContact CG1-CD1 3.44Å; V3067-N3077 HydrophobicContact CG1-CB 4.39Å; V3067-T3078 WeakPolarHBondContact CG1-OG1 3.41Å; V3067-V3187 HydrophobicContact CB-CG1 4.47Å; V3067-V3187 HydrophobicContact CG2-CG1 4.16Å; V3067-T3188 PolarHBondContact N-O 3.21Å; V3067-F3189 HydrophobicContact CB-CD1 4.5Å; V3067-F3189 HydrophobicContact CB-CE1 4.49Å; V3067-F3189 CarbonylContact O-C 3.5Å; V3067-F3189 VanDerWaalsContact O-CA 3.25Å; V3067-F3189 WeakPolarHBondContact O-CA 3.35Å; V3067-K3190 PolarHBondContact O-N 3.18Å; V3067-F3203 HydrophobicContact CG1-CD2 4.42Å; V3067-F3203 HydrophobicContact CG1-CE2 4.39Å; V3067-F3203 HydrophobicContact CG2-CD2 4.41Å; V3067-F3203 HydrophobicContact CG2-CE2 4.2Å |
| 3068 | E | 91.6 | Very high | 90.3 | Very high | 53.5 Ų | 53.5 | 54.7 Ų | 54.7 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | trans | -93.6 | 151 | 172.2 | -74 | 142.2 | -133.2 | 0 | 0 | 109.8 | P3073 L3074 N3077 K3190 | E3068-P3073 HydrophobicContact CB-CB 4.07Å; E3068-P3073 HydrophobicContact CB-CG 3.91Å; E3068-P3073 WeakPolarHBondContact OE2-CB 3.44Å; E3068-P3073 VanDerWaalsContact OE2-CG 3.3Å; E3068-P3073 WeakPolarHBondContact OE2-CG 3.28Å; E3068-L3074 WeakPolarHBondContact O-CA 3.37Å; E3068-L3074 WeakPolarHBondContact O-CB 3.33Å; E3068-N3077 PolarHBondContact OE1-ND2 3.24Å; E3068-N3077 VanDerWaalsContact OE1-ND2 3.14Å; E3068-N3077 PolarHBondContact OE2-ND2 3.08Å; E3068-K3190 HydrophobicContact CG-CB 4.16Å; E3068-K3190 HydrophobicContact CG-CD 3.75Å; E3068-K3190 HydrophobicContact CG-CG 4.12Å; E3068-K3190 WeakPolarHBondContact OE1-CD 3.1Å; E3068-K3190 VanDerWaalsContact OE1-CE 3.29Å; E3068-K3190 WeakPolarHBondContact OE1-CE 3.27Å; E3068-K3190 IonicContact OE1-NZ 3.08Å; E3068-K3190 PolarHBondContact OE1-NZ 3.08Å | ||
| 3069 | R | 90.6 | Very high | 90.6 | Very high | 100.25 Ų | 100.25 | 51.7 Ų | 51.7 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -79.7 | -25.7 | -177.2 | -163.1 | 122.8 | -154.6 | 165 | -2.1 | 113.5 | F3189 E3192 S3202 | R3069-F3189 HydrophobicContact CB-CD1 4.16Å; R3069-F3189 HydrophobicContact CB-CE1 4.23Å; R3069-F3189 HydrophobicContact CG-CD1 4.43Å; R3069-F3189 HydrophobicContact CG-CE1 4.24Å; R3069-F3189 VanDerWaalsContact NH1-CE2 3.31Å; R3069-E3192 WeakPolarHBondContact CD-OE1 3.35Å; R3069-E3192 WeakPolarHBondContact CD-OE2 3.31Å; R3069-E3192 WeakPolarHBondContact CG-OE1 3.26Å; R3069-E3192 IonicContact CZ-OE2 3.5Å; R3069-E3192 IonicContact NE-OE1 3.31Å; R3069-E3192 IonicContact NH1-OE1 3.3Å; R3069-E3192 IonicContact NH1-OE2 3.22Å; R3069-E3192 PolarHBondContact NH1-OE2 3.17Å; R3069-S3202 PolarHBondContact NH1-OG 3.11Å; R3069-S3202 VanDerWaalsContact NH1-OG 3.16Å; R3069-S3202 PolarHBondContact NH2-O 2.81Å; R3069-S3202 PolarHBondContact NH2-OG 2.69Å |
| 3070 | E | 91.1 | Very high | 91 | Very high | 135 Ų | 135 | 55.9 Ų | 55.9 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -65.8 | 134.5 | 180 | -168.6 | -140.9 | 122.3 | 0 | 0 | 111.6 | G3072 P3073 L3074 | E3070-G3072 VanDerWaalsContact C-N 3.32Å; E3070-G3072 PolarHBondContact O-N 3.02Å; E3070-G3072 VanDerWaalsContact O-N 3.15Å; E3070-G3072 PolarHBondContact OE1-N 3.43Å; E3070-P3073 HydrophobicContact CB-CG 4Å; E3070-P3073 HydrophobicContact CG-CG 4.47Å; E3070-P3073 VanDerWaalsContact O-CD 3.26Å; E3070-P3073 WeakPolarHBondContact O-CD 3.33Å; E3070-P3073 WeakPolarHBondContact O-CG 3.37Å; E3070-P3073 VanDerWaalsContact OE1-CD 3.27Å; E3070-P3073 WeakPolarHBondContact OE1-CD 3.38Å; E3070-P3073 WeakPolarHBondContact OE2-CD 3.35Å; E3070-L3074 WeakPolarHBondContact O-CB 3.3Å; E3070-L3074 PolarHBondContact O-N 3.28Å |
| 3071 | R | 91.4 | Very high | 91.6 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -50.3 | -45.8 | -171.6 | 178.3 | 177.3 | 177.4 | -103.3 | -1.4 | 114.3 | I3075 A3210 E3215 P3216 | R3071-I3075 HydrophobicContact CG-CD1 4.23Å; R3071-I3075 WeakPolarHBondContact O-CG1 3.35Å; R3071-I3075 PolarHBondContact O-N 3.14Å; R3071-A3210 HydrophobicContact CB-CB 4.38Å; R3071-A3210 HydrophobicContact CG-CB 3.89Å; R3071-A3210 PolarHBondContact NE-O 3.13Å; R3071-A3210 PolarHBondContact NH2-O 3.22Å; R3071-E3215 VanDerWaalsContact CD-OE2 3.28Å; R3071-E3215 WeakPolarHBondContact CD-OE2 3.45Å; R3071-E3215 IonicContact CZ-OE2 3.42Å; R3071-E3215 IonicContact NE-OE2 3.26Å; R3071-E3215 PolarHBondContact NH1-O 3.15Å; R3071-E3215 IonicContact NH1-OE1 2.65Å; R3071-E3215 IonicContact NH1-OE2 3.25Å; R3071-E3215 PolarHBondContact NH1-OE2 2.76Å; R3071-E3215 PolarHBondContact NH2-O 3.2Å; R3071-P3216 PolarHBondContact NH1-O 2.91Å; R3071-P3216 PolarHBondContact NH2-O 3.12Å |
| 3072 | G | 89.6 | Confident | 92 | Very high | 14.75 Ų | 14.75 | 42.3 Ų | 42.3 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -62.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E3070 I3075 L3076 | E3070-G3072 VanDerWaalsContact C-N 3.32Å; E3070-G3072 PolarHBondContact O-N 3.02Å; E3070-G3072 VanDerWaalsContact O-N 3.15Å; E3070-G3072 PolarHBondContact OE1-N 3.43Å; G3072-I3075 PolarHBondContact O-N 3.05Å; G3072-L3076 PolarHBondContact O-N 3.12Å |
| 3073 | P | 91.2 | Very high | 92 | Very high | 24.25 Ų | 24.25 | 43.4 Ų | 43.4 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.7 | -32 | 176.6 | 14.8 | -18.8 | 0 | 0 | 0 | 113.6 | E3068 E3070 I3075 L3076 N3077 | E3068-P3073 HydrophobicContact CB-CB 4.07Å; E3068-P3073 HydrophobicContact CB-CG 3.91Å; E3068-P3073 WeakPolarHBondContact OE2-CB 3.44Å; E3068-P3073 VanDerWaalsContact OE2-CG 3.3Å; E3068-P3073 WeakPolarHBondContact OE2-CG 3.28Å; E3070-P3073 HydrophobicContact CB-CG 4Å; E3070-P3073 HydrophobicContact CG-CG 4.47Å; E3070-P3073 VanDerWaalsContact O-CD 3.26Å; E3070-P3073 WeakPolarHBondContact O-CD 3.33Å; E3070-P3073 WeakPolarHBondContact O-CG 3.37Å; E3070-P3073 VanDerWaalsContact OE1-CD 3.27Å; E3070-P3073 WeakPolarHBondContact OE1-CD 3.38Å; E3070-P3073 WeakPolarHBondContact OE2-CD 3.35Å; P3073-I3075 VanDerWaalsContact C-N 3.32Å; P3073-I3075 PolarHBondContact O-N 3.1Å; P3073-L3076 PolarHBondContact O-N 3.21Å; P3073-N3077 WeakPolarHBondContact O-CA 3.41Å; P3073-N3077 VanDerWaalsContact O-CB 3.24Å; P3073-N3077 WeakPolarHBondContact O-CB 3.4Å; P3073-N3077 PolarHBondContact O-N 3.11Å; P3073-N3077 PolarHBondContact O-ND2 3.19Å |
| 3074 | L | 93.9 | Very high | 91.9 | Very high | 2.5 Ų | 2.5 | 48.2 Ų | 48.2 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -51.3 | -50 | 174.8 | 171.4 | 53.3 | 0 | 0 | 0 | 111.5 | V3067 E3068 E3070 T3078 F3203 A3206 F3207 A3210 | V3067-L3074 HydrophobicContact CG1-CD1 3.54Å; V3067-L3074 VanDerWaalsContact CG1-CD1 3.44Å; E3068-L3074 WeakPolarHBondContact O-CA 3.37Å; E3068-L3074 WeakPolarHBondContact O-CB 3.33Å; E3070-L3074 WeakPolarHBondContact O-CB 3.3Å; E3070-L3074 PolarHBondContact O-N 3.28Å; L3074-T3078 WeakPolarHBondContact O-CB 3.45Å; L3074-T3078 PolarHBondContact O-N 3.16Å; L3074-T3078 VanDerWaalsContact O-N 3.14Å; L3074-T3078 PolarHBondContact O-OG1 3.16Å; L3074-F3203 HydrophobicContact CD1-CD2 4.34Å; L3074-F3203 HydrophobicContact CD1-CE2 4.19Å; L3074-A3206 HydrophobicContact CD2-CB 4.1Å; L3074-F3207 HydrophobicContact CD1-CD2 4.37Å; L3074-F3207 HydrophobicContact CG-CD2 4.4Å; L3074-A3210 HydrophobicContact CD2-CB 3.94Å; L3074-A3210 HydrophobicContact CG-CB 4.46Å |
| 3075 | I | 93.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -54 | 177.9 | -64 | 169.4 | 0 | 0 | 0 | 110.4 | R3071 G3072 P3073 N3077 T3078 I3079 A3210 V3211 L3217 P3218 I3637 | R3071-I3075 HydrophobicContact CG-CD1 4.23Å; R3071-I3075 WeakPolarHBondContact O-CG1 3.35Å; R3071-I3075 PolarHBondContact O-N 3.14Å; G3072-I3075 PolarHBondContact O-N 3.05Å; P3073-I3075 VanDerWaalsContact C-N 3.32Å; P3073-I3075 PolarHBondContact O-N 3.1Å; I3075-N3077 PolarHBondContact O-N 3.2Å; I3075-T3078 PolarHBondContact O-N 3.43Å; I3075-I3079 HydrophobicContact CG2-CD1 3.76Å; I3075-I3079 WeakPolarHBondContact O-CD1 3.48Å; I3075-I3079 VanDerWaalsContact O-CG1 3.29Å; I3075-I3079 WeakPolarHBondContact O-CG1 3.34Å; I3075-I3079 PolarHBondContact O-N 3.15Å; I3075-I3079 VanDerWaalsContact O-N 3.11Å; I3075-A3210 HydrophobicContact CD1-CB 4.17Å; I3075-A3210 HydrophobicContact CG1-CB 4.1Å; I3075-V3211 HydrophobicContact CD1-CG2 4.29Å; I3075-V3211 HydrophobicContact CG1-CG2 4.14Å; I3075-L3217 HydrophobicContact CD1-CD2 4.29Å; I3075-P3218 HydrophobicContact CB-CG 4.06Å; I3075-P3218 HydrophobicContact CD1-CG 4.2Å; I3075-P3218 HydrophobicContact CG2-CG 4.06Å; I3075-I3637 HydrophobicContact CG2-CG2 4.16Å |
| 3076 | L | 92.1 | Very high | 91.5 | Very high | 16.25 Ų | 16.25 | 47.5 Ų | 47.5 | 9% | 0.085 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | -171.1 | -67.3 | 174.1 | 0 | 0 | 0 | 112.9 | G3072 P3073 I3079 K3080 P3218 N3219 L3220 L3222 L3223 I3637 | G3072-L3076 PolarHBondContact O-N 3.12Å; P3073-L3076 PolarHBondContact O-N 3.21Å; L3076-I3079 PolarHBondContact O-N 3.18Å; L3076-K3080 VanDerWaalsContact O-CB 3.25Å; L3076-K3080 WeakPolarHBondContact O-CB 3.36Å; L3076-K3080 PolarHBondContact O-N 3.3Å; L3076-P3218 HydrophobicContact CD1-CB 3.89Å; L3076-P3218 HydrophobicContact CD1-CG 3.62Å; L3076-P3218 HydrophobicContact CD2-CG 4.12Å; L3076-P3218 HydrophobicContact CG-CB 4.35Å; L3076-P3218 HydrophobicContact CG-CG 3.87Å; L3076-N3219 WeakPolarHBondContact CD1-O 3.46Å; L3076-L3220 HydrophobicContact CD2-CD2 4.14Å; L3076-L3222 HydrophobicContact CD1-CB 4.21Å; L3076-L3222 HydrophobicContact CD1-CD1 4.04Å; L3076-L3223 HydrophobicContact CD2-CD1 3.87Å; L3076-L3223 HydrophobicContact CD2-CD2 4.37Å; L3076-L3223 HydrophobicContact CD2-CG 4.01Å; L3076-L3223 WeakPolarHBondContact O-CD2 3.34Å; L3076-I3637 HydrophobicContact CD2-CD1 4.24Å |
| 3077 | N | 91.8 | Very high | 91.2 | Very high | 37.25 Ų | 37.25 | 44.7 Ų | 44.7 | 20% | 0.199 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 178.3 | -90.3 | -17.5 | 0 | 0 | 0 | 111.1 | E3066 V3067 E3068 P3073 I3075 I3079 K3080 L3081 | E3066-N3077 PolarHBondContact O-ND2 3.12Å; V3067-N3077 HydrophobicContact CG1-CB 4.39Å; E3068-N3077 PolarHBondContact OE1-ND2 3.24Å; E3068-N3077 VanDerWaalsContact OE1-ND2 3.14Å; E3068-N3077 PolarHBondContact OE2-ND2 3.08Å; P3073-N3077 WeakPolarHBondContact O-CA 3.41Å; P3073-N3077 VanDerWaalsContact O-CB 3.24Å; P3073-N3077 WeakPolarHBondContact O-CB 3.4Å; P3073-N3077 PolarHBondContact O-N 3.11Å; P3073-N3077 PolarHBondContact O-ND2 3.19Å; I3075-N3077 PolarHBondContact O-N 3.2Å; N3077-I3079 VanDerWaalsContact C-N 3.33Å; N3077-I3079 PolarHBondContact O-N 3.03Å; N3077-K3080 WeakPolarHBondContact O-CB 3.31Å; N3077-K3080 PolarHBondContact O-N 3.04Å; N3077-K3080 VanDerWaalsContact O-N 3.12Å; N3077-L3081 WeakPolarHBondContact O-CB 3.36Å; N3077-L3081 WeakPolarHBondContact O-CG 3.24Å; N3077-L3081 PolarHBondContact O-N 3.2Å |
| 3078 | T | 94 | Very high | 90.9 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | V3067 L3074 I3075 K3080 L3081 L3082 F3203 F3207 V3644 | V3067-T3078 WeakPolarHBondContact CG1-OG1 3.41Å; L3074-T3078 WeakPolarHBondContact O-CB 3.45Å; L3074-T3078 PolarHBondContact O-N 3.16Å; L3074-T3078 VanDerWaalsContact O-N 3.14Å; L3074-T3078 PolarHBondContact O-OG1 3.16Å; I3075-T3078 PolarHBondContact O-N 3.43Å; T3078-K3080 PolarHBondContact O-N 3.42Å; T3078-L3081 PolarHBondContact O-N 2.99Å; T3078-L3082 HydrophobicContact CG2-CD1 3.87Å; T3078-L3082 HydrophobicContact CG2-CG 4.41Å; T3078-L3082 WeakPolarHBondContact O-CB 3.29Å; T3078-L3082 VanDerWaalsContact O-CG 3.3Å; T3078-L3082 WeakPolarHBondContact O-CG 3.35Å; T3078-L3082 PolarHBondContact O-N 3.15Å; T3078-F3203 HydrophobicContact CG2-CE2 4.08Å; T3078-F3203 HydrophobicContact CG2-CZ 3.79Å; T3078-F3207 HydrophobicContact CG2-CD2 4.03Å; T3078-F3207 HydrophobicContact CG2-CE2 3.73Å; T3078-F3207 HydrophobicContact CG2-CZ 4.3Å; T3078-V3644 HydrophobicContact CG2-CG2 4.39Å |
| 3079 | I | 92.9 | Very high | 90.4 | Very high | 24.75 Ų | 24.75 | 48 Ų | 48 | 13% | 0.127 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -39 | 179.9 | -60.6 | -112.9 | 0 | 0 | 0 | 111.2 | I3075 L3076 N3077 L3081 L3082 N3083 F3207 L3220 L3223 I3637 | I3075-I3079 HydrophobicContact CG2-CD1 3.76Å; I3075-I3079 WeakPolarHBondContact O-CD1 3.48Å; I3075-I3079 VanDerWaalsContact O-CG1 3.29Å; I3075-I3079 WeakPolarHBondContact O-CG1 3.34Å; I3075-I3079 PolarHBondContact O-N 3.15Å; I3075-I3079 VanDerWaalsContact O-N 3.11Å; L3076-I3079 PolarHBondContact O-N 3.18Å; N3077-I3079 VanDerWaalsContact C-N 3.33Å; N3077-I3079 PolarHBondContact O-N 3.03Å; I3079-L3081 PolarHBondContact O-N 3.24Å; I3079-L3082 HydrophobicContact CD1-CD1 4.38Å; I3079-L3082 PolarHBondContact O-N 2.75Å; I3079-N3083 VanDerWaalsContact O-CB 3.31Å; I3079-N3083 WeakPolarHBondContact O-CB 3.43Å; I3079-N3083 PolarHBondContact O-N 2.78Å; I3079-N3083 PolarHBondContact O-ND2 3.2Å; I3079-N3083 VanDerWaalsContact O-ND2 3.15Å; I3079-F3207 HydrophobicContact CD1-CE2 4.08Å; I3079-F3207 HydrophobicContact CD1-CZ 3.91Å; I3079-L3220 HydrophobicContact CD1-CD2 4.41Å; I3079-L3223 HydrophobicContact CB-CD1 4.07Å; I3079-L3223 HydrophobicContact CB-CD2 4.2Å; I3079-L3223 HydrophobicContact CD1-CD1 4.3Å; I3079-L3223 HydrophobicContact CG2-CD1 3.65Å; I3079-L3223 HydrophobicContact CG2-CD2 4.25Å; I3079-I3637 HydrophobicContact CG1-CB 4.49Å; I3079-I3637 HydrophobicContact CG1-CG1 4.22Å; I3079-I3637 HydrophobicContact CG1-CG2 4.3Å |
| 3080 | K | 92.1 | Very high | 89.8 | Confident | 99.75 Ų | 99.75 | 47.1 Ų | 47.1 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 175.6 | -172.1 | 173.3 | -178.8 | 175 | 0 | 112 | L3076 N3077 T3078 N3083 M3084 L3222 L3223 Q3225 N3227 | L3076-K3080 VanDerWaalsContact O-CB 3.25Å; L3076-K3080 WeakPolarHBondContact O-CB 3.36Å; L3076-K3080 PolarHBondContact O-N 3.3Å; N3077-K3080 WeakPolarHBondContact O-CB 3.31Å; N3077-K3080 PolarHBondContact O-N 3.04Å; N3077-K3080 VanDerWaalsContact O-N 3.12Å; T3078-K3080 PolarHBondContact O-N 3.42Å; K3080-N3083 PolarHBondContact O-N 3.34Å; K3080-M3084 WeakPolarHBondContact O-CB 3.39Å; K3080-M3084 PolarHBondContact O-N 3.33Å; K3080-L3222 PolarHBondContact NZ-O 3.17Å; K3080-L3223 HydrophobicContact CB-CD2 4.11Å; K3080-Q3225 PolarHBondContact NZ-O 3.05Å; K3080-Q3225 VanDerWaalsContact NZ-O 3.09Å; K3080-N3227 WeakPolarHBondContact CE-OD1 3.14Å; K3080-N3227 PolarHBondContact NZ-OD1 2.9Å |
| 3081 | L | 92.4 | Very high | 89 | Confident | 37.25 Ų | 37.25 | 45.3 Ų | 45.3 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 177.8 | -70 | 177.4 | 0 | 0 | 0 | 112.6 | L3065 E3066 N3077 T3078 I3079 N3083 M3084 E3085 | L3065-L3081 HydrophobicContact CB-CD1 4.47Å; L3065-L3081 HydrophobicContact CD2-CB 3.99Å; L3065-L3081 HydrophobicContact CD2-CD1 4.26Å; E3066-L3081 VanDerWaalsContact O-CD1 3.29Å; E3066-L3081 WeakPolarHBondContact O-CD1 3.39Å; N3077-L3081 WeakPolarHBondContact O-CB 3.36Å; N3077-L3081 WeakPolarHBondContact O-CG 3.24Å; N3077-L3081 PolarHBondContact O-N 3.2Å; T3078-L3081 PolarHBondContact O-N 2.99Å; I3079-L3081 PolarHBondContact O-N 3.24Å; L3081-N3083 VanDerWaalsContact C-N 3.34Å; L3081-N3083 PolarHBondContact O-N 3.29Å; L3081-M3084 HydrophobicContact CD2-CE 3.73Å; L3081-M3084 WeakPolarHBondContact O-CB 3.43Å; L3081-M3084 PolarHBondContact O-N 3.1Å; L3081-E3085 PolarHBondContact O-N 2.96Å |
| 3082 | L | 92.5 | Very high | 87.9 | Confident | 33.75 Ų | 33.75 | 47.8 Ų | 47.8 | 18% | 0.177 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.3 | -70.7 | 174.3 | 0 | 0 | 0 | 112.1 | L3063 L3065 T3078 I3079 M3084 E3085 Y3086 R3643 V3644 L3647 | L3063-L3082 HydrophobicContact CD2-CD2 4.01Å; L3065-L3082 HydrophobicContact CD2-CD2 4.24Å; T3078-L3082 HydrophobicContact CG2-CD1 3.87Å; T3078-L3082 HydrophobicContact CG2-CG 4.41Å; T3078-L3082 WeakPolarHBondContact O-CB 3.29Å; T3078-L3082 VanDerWaalsContact O-CG 3.3Å; T3078-L3082 WeakPolarHBondContact O-CG 3.35Å; T3078-L3082 PolarHBondContact O-N 3.15Å; I3079-L3082 HydrophobicContact CD1-CD1 4.38Å; I3079-L3082 PolarHBondContact O-N 2.75Å; L3082-M3084 VanDerWaalsContact C-N 3.34Å; L3082-M3084 PolarHBondContact O-N 2.76Å; L3082-E3085 PolarHBondContact O-N 3.12Å; L3082-Y3086 VanDerWaalsContact O-CB 3.28Å; L3082-Y3086 WeakPolarHBondContact O-CB 3.31Å; L3082-Y3086 PolarHBondContact O-N 3.29Å; L3082-R3643 HydrophobicContact CD1-CB 4.35Å; L3082-V3644 HydrophobicContact CD1-CG2 3.8Å; L3082-L3647 HydrophobicContact CD2-CD1 3.74Å |
| 3083 | N | 91 | Very high | 86.3 | Confident | 69.75 Ų | 69.75 | 50.1 Ų | 50.1 | 37% | 0.373 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.6 | -78.7 | -25.5 | 0 | 0 | 0 | 112 | I3079 K3080 L3081 Y3086 A3087 S3636 R3643 | I3079-N3083 VanDerWaalsContact O-CB 3.31Å; I3079-N3083 WeakPolarHBondContact O-CB 3.43Å; I3079-N3083 PolarHBondContact O-N 2.78Å; I3079-N3083 PolarHBondContact O-ND2 3.2Å; I3079-N3083 VanDerWaalsContact O-ND2 3.15Å; K3080-N3083 PolarHBondContact O-N 3.34Å; L3081-N3083 VanDerWaalsContact C-N 3.34Å; L3081-N3083 PolarHBondContact O-N 3.29Å; N3083-Y3086 PolarHBondContact O-N 2.85Å; N3083-A3087 WeakPolarHBondContact O-CB 3.3Å; N3083-A3087 PolarHBondContact O-N 3.16Å; N3083-S3636 PolarHBondContact ND2-OG 2.97Å; N3083-R3643 PolarHBondContact OD1-NH1 2.91Å |
| 3084 | M | 89.8 | Confident | 84 | Confident | 112.5 Ų | 112.5 | 54.6 Ų | 54.6 | 55% | 0.554 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 177.4 | -177.2 | 174.5 | 65.7 | 0 | 0 | 112.1 | K3080 L3081 L3082 Y3086 A3087 K3088 | K3080-M3084 WeakPolarHBondContact O-CB 3.39Å; K3080-M3084 PolarHBondContact O-N 3.33Å; L3081-M3084 HydrophobicContact CD2-CE 3.73Å; L3081-M3084 WeakPolarHBondContact O-CB 3.43Å; L3081-M3084 PolarHBondContact O-N 3.1Å; L3082-M3084 VanDerWaalsContact C-N 3.34Å; L3082-M3084 PolarHBondContact O-N 2.76Å; M3084-Y3086 VanDerWaalsContact C-N 3.34Å; M3084-Y3086 PolarHBondContact O-N 3.35Å; M3084-A3087 PolarHBondContact O-N 3.4Å; M3084-K3088 WeakPolarHBondContact O-CB 3.35Å; M3084-K3088 PolarHBondContact O-N 2.93Å |
| 3085 | E | 87 | Confident | 81.5 | Confident | 27.25 Ų | 27.25 | 58.7 Ų | 58.7 | 13% | 0.127 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 176.8 | -90.9 | -70.3 | 131 | 0 | 0 | 112.8 | L3063 L3081 L3082 K3088 R3089 L3180 | L3063-E3085 HydrophobicContact CD1-CB 4.16Å; L3063-E3085 HydrophobicContact CD1-CG 3.84Å; L3081-E3085 PolarHBondContact O-N 2.96Å; L3082-E3085 PolarHBondContact O-N 3.12Å; E3085-K3088 VanDerWaalsContact OE1-CD 3.3Å; E3085-K3088 WeakPolarHBondContact OE1-CD 3.31Å; E3085-K3088 VanDerWaalsContact OE1-CE 3.24Å; E3085-K3088 WeakPolarHBondContact OE1-CE 3.41Å; E3085-K3088 IonicContact OE1-NZ 2.7Å; E3085-K3088 PolarHBondContact OE1-NZ 3.04Å; E3085-R3089 WeakPolarHBondContact O-CB 3.46Å; E3085-R3089 VanDerWaalsContact O-CD 3.3Å; E3085-R3089 WeakPolarHBondContact O-CD 3.12Å; E3085-R3089 VanDerWaalsContact O-CG 3.26Å; E3085-R3089 WeakPolarHBondContact O-CG 3.37Å; E3085-R3089 PolarHBondContact O-N 2.9Å; E3085-R3089 IonicContact OE2-CZ 2.87Å; E3085-R3089 IonicContact OE2-NE 2.84Å; E3085-R3089 PolarHBondContact OE2-NE 2.85Å; E3085-R3089 IonicContact OE2-NH2 3.06Å; E3085-R3089 PolarHBondContact OE2-NH2 3.17Å; E3085-L3180 HydrophobicContact CB-CD2 4.23Å |
| 3086 | Y | 87.8 | Confident | 79 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -52.3 | 172.5 | -179.4 | -105.8 | 0 | 0 | 0 | 111.6 | L3082 N3083 M3084 K3088 R3089 Q3090 Q3177 L3180 R3643 D3783 | L3082-Y3086 VanDerWaalsContact O-CB 3.28Å; L3082-Y3086 WeakPolarHBondContact O-CB 3.31Å; L3082-Y3086 PolarHBondContact O-N 3.29Å; N3083-Y3086 PolarHBondContact O-N 2.85Å; M3084-Y3086 VanDerWaalsContact C-N 3.34Å; M3084-Y3086 PolarHBondContact O-N 3.35Å; Y3086-K3088 VanDerWaalsContact C-N 3.31Å; Y3086-K3088 PolarHBondContact O-N 3.22Å; Y3086-R3089 WeakPolarHBondContact O-CB 3.32Å; Y3086-R3089 PolarHBondContact O-N 3Å; Y3086-R3089 VanDerWaalsContact O-N 3.09Å; Y3086-Q3090 HydrophobicContact CD1-CG 4.45Å; Y3086-Q3090 HydrophobicContact CE1-CG 4.2Å; Y3086-Q3090 VanDerWaalsContact CZ-NE2 3.26Å; Y3086-Q3090 WeakPolarHBondContact O-CB 3.25Å; Y3086-Q3090 PolarHBondContact O-N 3.25Å; Y3086-Q3090 PolarHBondContact OH-NE2 3.25Å; Y3086-Q3090 VanDerWaalsContact OH-NE2 3.17Å; Y3086-Q3177 PolarHBondContact OH-OE1 2.92Å; Y3086-L3180 HydrophobicContact CD2-CD1 3.87Å; Y3086-L3180 HydrophobicContact CD2-CD2 3.93Å; Y3086-L3180 HydrophobicContact CD2-CG 4Å; Y3086-L3180 HydrophobicContact CG-CD1 4.44Å; Y3086-R3643 VanDerWaalsContact CD1-NH2 3.3Å; Y3086-D3783 HydrophobicContact CD2-CB 4.11Å; Y3086-D3783 HydrophobicContact CE2-CB 3.61Å; Y3086-D3783 WeakPolarHBondContact CE2-OD1 3.19Å; Y3086-D3783 VanDerWaalsContact CZ-CG 3.48Å; Y3086-D3783 PolarHBondContact OH-OD1 3.13Å |
| 3087 | A | 87.1 | Confident | 76.3 | Confident | 51.5 Ų | 51.5 | 70.5 Ų | 70.5 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N3083 M3084 R3089 Q3090 S3091 | N3083-A3087 WeakPolarHBondContact O-CB 3.3Å; N3083-A3087 PolarHBondContact O-N 3.16Å; M3084-A3087 PolarHBondContact O-N 3.4Å; A3087-R3089 VanDerWaalsContact C-N 3.29Å; A3087-R3089 PolarHBondContact O-N 3.23Å; A3087-Q3090 PolarHBondContact O-N 2.94Å; A3087-S3091 WeakPolarHBondContact O-CB 3.46Å; A3087-S3091 PolarHBondContact O-N 3.04Å; A3087-S3091 VanDerWaalsContact O-N 3.07Å; A3087-S3091 PolarHBondContact O-OG 3.2Å |
| 3088 | K | 86 | Confident | 73.4 | Confident | 101 Ų | 101 | 77.1 Ų | 77.1 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -25 | 174.9 | 176.6 | 177 | 164.3 | -164.3 | 0 | 113.6 | M3084 E3085 Y3086 S3091 Q3092 | M3084-K3088 WeakPolarHBondContact O-CB 3.35Å; M3084-K3088 PolarHBondContact O-N 2.93Å; E3085-K3088 VanDerWaalsContact OE1-CD 3.3Å; E3085-K3088 WeakPolarHBondContact OE1-CD 3.31Å; E3085-K3088 VanDerWaalsContact OE1-CE 3.24Å; E3085-K3088 WeakPolarHBondContact OE1-CE 3.41Å; E3085-K3088 IonicContact OE1-NZ 2.7Å; E3085-K3088 PolarHBondContact OE1-NZ 3.04Å; Y3086-K3088 VanDerWaalsContact C-N 3.31Å; Y3086-K3088 PolarHBondContact O-N 3.22Å; K3088-S3091 PolarHBondContact O-OG 2.91Å; K3088-Q3092 VanDerWaalsContact O-CD 3.25Å; K3088-Q3092 VanDerWaalsContact O-CG 3.22Å; K3088-Q3092 WeakPolarHBondContact O-CG 3.32Å; K3088-Q3092 PolarHBondContact O-NE2 3.08Å |
| 3089 | R | 80.9 | Confident | 70.7 | Confident | 22.25 Ų | 22.25 | 81.5 Ų | 81.5 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -87.2 | -37.4 | 173.6 | -70.2 | 168.7 | -171 | -127.3 | 3.7 | 111.8 | D3062 E3085 Y3086 A3087 S3091 Q3092 T3093 P3178 I3179 L3180 S3181 | D3062-R3089 PolarHBondContact O-NH2 3.14Å; E3085-R3089 WeakPolarHBondContact O-CB 3.46Å; E3085-R3089 VanDerWaalsContact O-CD 3.3Å; E3085-R3089 WeakPolarHBondContact O-CD 3.12Å; E3085-R3089 VanDerWaalsContact O-CG 3.26Å; E3085-R3089 WeakPolarHBondContact O-CG 3.37Å; E3085-R3089 PolarHBondContact O-N 2.9Å; E3085-R3089 IonicContact OE2-CZ 2.87Å; E3085-R3089 IonicContact OE2-NE 2.84Å; E3085-R3089 PolarHBondContact OE2-NE 2.85Å; E3085-R3089 IonicContact OE2-NH2 3.06Å; E3085-R3089 PolarHBondContact OE2-NH2 3.17Å; Y3086-R3089 WeakPolarHBondContact O-CB 3.32Å; Y3086-R3089 PolarHBondContact O-N 3Å; Y3086-R3089 VanDerWaalsContact O-N 3.09Å; A3087-R3089 VanDerWaalsContact C-N 3.29Å; A3087-R3089 PolarHBondContact O-N 3.23Å; R3089-S3091 VanDerWaalsContact C-N 3.32Å; R3089-S3091 PolarHBondContact O-N 2.8Å; R3089-Q3092 PolarHBondContact O-N 3.09Å; R3089-T3093 PolarHBondContact O-N 3.08Å; R3089-P3178 HydrophobicContact CB-CB 4.43Å; R3089-I3179 PolarHBondContact NH1-O 3.43Å; R3089-I3179 VanDerWaalsContact NH1-O 3.16Å; R3089-L3180 HydrophobicContact CB-CD2 4.03Å; R3089-L3180 VanDerWaalsContact CD-CD2 3.45Å; R3089-L3180 VanDerWaalsContact NH1-C 3.29Å; R3089-L3180 PolarHBondContact NH1-O 3.02Å; R3089-L3180 VanDerWaalsContact NH1-O 3.13Å; R3089-S3181 PolarHBondContact NH1-O 3.29Å |
| 3090 | Q | 78.5 | Confident | 67.9 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 173.7 | -120.5 | -173.2 | 17.7 | 0 | 0 | 112.3 | Y3086 A3087 Q3092 T3093 P3178 | Y3086-Q3090 HydrophobicContact CD1-CG 4.45Å; Y3086-Q3090 HydrophobicContact CE1-CG 4.2Å; Y3086-Q3090 VanDerWaalsContact CZ-NE2 3.26Å; Y3086-Q3090 WeakPolarHBondContact O-CB 3.25Å; Y3086-Q3090 PolarHBondContact O-N 3.25Å; Y3086-Q3090 PolarHBondContact OH-NE2 3.25Å; Y3086-Q3090 VanDerWaalsContact OH-NE2 3.17Å; A3087-Q3090 PolarHBondContact O-N 2.94Å; Q3090-Q3092 VanDerWaalsContact C-N 3.27Å; Q3090-Q3092 PolarHBondContact O-N 3.14Å; Q3090-T3093 PolarHBondContact O-N 3.26Å; Q3090-T3093 VanDerWaalsContact O-N 3.1Å; Q3090-T3093 PolarHBondContact O-OG1 3.31Å; Q3090-T3093 VanDerWaalsContact O-OG1 3.1Å; Q3090-P3178 HydrophobicContact CB-CG 4.42Å; Q3090-P3178 HydrophobicContact CG-CG 4.11Å |
| 3091 | S | 73 | Confident | 65 | Low | 95.5 Ų | 95.5 | 90.1 Ų | 90.1 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.9 | 178.8 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | A3087 K3088 R3089 | A3087-S3091 WeakPolarHBondContact O-CB 3.46Å; A3087-S3091 PolarHBondContact O-N 3.04Å; A3087-S3091 VanDerWaalsContact O-N 3.07Å; A3087-S3091 PolarHBondContact O-OG 3.2Å; K3088-S3091 PolarHBondContact O-OG 2.91Å; R3089-S3091 VanDerWaalsContact C-N 3.32Å; R3089-S3091 PolarHBondContact O-N 2.8Å |
| 3092 | Q | 68 | Low | 62.3 | Low | 96 Ų | 96 | 92.5 Ų | 92.5 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -1.7 | -177.7 | -71.2 | -178.9 | 11.9 | 0 | 0 | 114.3 | R3061 K3088 R3089 Q3090 P3094 | R3061-Q3092 VanDerWaalsContact CZ-OE1 3.22Å; K3088-Q3092 VanDerWaalsContact O-CD 3.25Å; K3088-Q3092 VanDerWaalsContact O-CG 3.22Å; K3088-Q3092 WeakPolarHBondContact O-CG 3.32Å; K3088-Q3092 PolarHBondContact O-NE2 3.08Å; R3089-Q3092 PolarHBondContact O-N 3.09Å; Q3090-Q3092 VanDerWaalsContact C-N 3.27Å; Q3090-Q3092 PolarHBondContact O-N 3.14Å; Q3092-P3094 WeakPolarHBondContact O-CD 3.38Å |
| 3093 | T | 57.2 | Low | 59.6 | Low | 63 Ų | 63 | 99 Ų | 99 | 39% | 0.387 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -81.2 | 118.1 | 169.6 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | R3089 Q3090 S3095 P3178 | R3089-T3093 PolarHBondContact O-N 3.08Å; Q3090-T3093 PolarHBondContact O-N 3.26Å; Q3090-T3093 VanDerWaalsContact O-N 3.1Å; Q3090-T3093 PolarHBondContact O-OG1 3.31Å; Q3090-T3093 VanDerWaalsContact O-OG1 3.1Å; T3093-S3095 PolarHBondContact O-N 3.14Å; T3093-S3095 VanDerWaalsContact O-N 3.08Å; T3093-P3178 HydrophobicContact CG2-CB 3.64Å; T3093-P3178 VanDerWaalsContact CG2-CB 3.45Å; T3093-P3178 HydrophobicContact CG2-CG 3.89Å |
| 3094 | P | 43.6 | Very low | 56.8 | Low | 119.5 Ų | 119.5 | 99.5 Ų | 99.5 | 78% | 0.776 | 59% | 0.588 | S | S | * | * | trans | -68.9 | 113.4 | 178.1 | 27.9 | -33.2 | 0 | 0 | 0 | 109.8 | Q3092 | Q3092-P3094 WeakPolarHBondContact O-CD 3.38Š| ||
| 3095 | S | 41.4 | Very low | 54 | Low | 89 Ų | 89 | 99.2 Ų | 99.2 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | trans | -62.4 | 139.5 | 169 | -64.5 | 0 | 0 | 0 | 0 | 109.9 | T3093 N3097 | T3093-S3095 PolarHBondContact O-N 3.14Å; T3093-S3095 VanDerWaalsContact O-N 3.08Å; S3095-N3097 VanDerWaalsContact C-N 3.32Å; S3095-N3097 PolarHBondContact O-N 3.39Å | ||
| 3096 | P | 39.2 | Very low | 51.3 | Low | 120 Ų | 120 | 104.3 Ų | 104.3 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | trans | -70.8 | 94.7 | 175.7 | 28.8 | -33.4 | 0 | 0 | 0 | 109.8 | L3098 | P3096-L3098 PolarHBondContact O-N 3.12Š| ||
| 3097 | N | 35.7 | Very low | 48.7 | Very low | 146.25 Ų | 146.25 | 111.7 Ų | 111.7 | 78% | 0.782 | 65% | 0.652 | S | S | * | * | trans | -67.8 | 91.9 | 178.2 | -80.2 | -9.7 | 0 | 0 | 0 | 110.9 | S3095 S3099 | S3095-N3097 VanDerWaalsContact C-N 3.32Å; S3095-N3097 PolarHBondContact O-N 3.39Å; N3097-S3099 PolarHBondContact O-N 3.19Å | ||
| 3098 | L | 31 | Very low | 45.9 | Very low | 175.5 Ų | 175.5 | 114.3 Ų | 114.3 | 92% | 0.919 | 67% | 0.667 | S | S | * | * | trans | -87.2 | 79.4 | 170.8 | -166 | 73.9 | 0 | 0 | 0 | 109.7 | P3096 N3100 | P3096-L3098 PolarHBondContact O-N 3.12Å; L3098-N3100 PolarHBondContact O-N 3.28Å | ||
| 3099 | S | 37.3 | Very low | 43.4 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | trans | -113.5 | 113.1 | -178.3 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | N3097 T3101 | N3097-S3099 PolarHBondContact O-N 3.19Å; S3099-T3101 PolarHBondContact O-N 2.77Å | ||
| 3100 | N | 34.4 | Very low | 41 | Very low | 153.25 Ų | 153.25 | 119.3 Ų | 119.3 | 82% | 0.82 | 71% | 0.712 | S | S | * | * | trans | 17.8 | 102.3 | 161.3 | -61.6 | -11.7 | 0 | 0 | 0 | 117.3 | L3098 S3102 | L3098-N3100 PolarHBondContact O-N 3.28Å; N3100-S3102 PolarHBondContact O-N 3.44Å | ||
| 3101 | T | 32.4 | Very low | 38.9 | Very low | 150.5 Ų | 150.5 | 122.1 Ų | 122.1 | 92% | 0.923 | 73% | 0.729 | S | S | * | * | trans | -100.1 | 93.7 | 158.4 | -35.6 | 0 | 0 | 0 | 0 | 109.8 | S3099 | S3099-T3101 PolarHBondContact O-N 2.77Š| ||
| 3102 | S | 35.3 | Very low | 36.8 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | trans | -136 | 123.1 | 173.2 | 58.4 | 0 | 0 | 0 | 0 | 112 | N3100 | N3100-S3102 PolarHBondContact O-N 3.44Š| ||
| 3103 | N | 34.5 | Very low | 35.2 | Very low | 169.25 Ų | 169.25 | 127.1 Ų | 127.1 | 91% | 0.905 | 75% | 0.749 | S | S | * | * | trans | 73.9 | 120.4 | 169.9 | -50.5 | -22.1 | 0 | 0 | 0 | 116.6 | ||||
| 3104 | G | 32.9 | Very low | 33.9 | Very low | 80.5 Ų | 80.5 | 131 Ų | 131 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 162.8 | 51 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3105 | S | 31.1 | Very low | 33.2 | Very low | 106.5 Ų | 106.5 | 133.8 Ų | 133.8 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -1.6 | 129.7 | -178.7 | -153.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3106 | M | 29.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | 93.5 | 132.2 | 143.4 | -68.7 | -76.7 | 107.8 | 0 | 0 | 119.1 | ||||
| 3107 | Y | 33.4 | Very low | 32 | Very low | 207.5 Ų | 207.5 | 140 Ų | 140 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 71 | 145 | 147.5 | -53.8 | -64.6 | 0 | 0 | 0 | 116.1 | ||||
| 3108 | S | 29.9 | Very low | 31.6 | Very low | 105.75 Ų | 105.75 | 138.3 Ų | 138.3 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | 178.5 | 140.4 | -1.6 | -158.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3109 | A | 33 | Very low | 31.6 | Very low | 85.25 Ų | 85.25 | 135.6 Ų | 135.6 | 71% | 0.705 | 78% | 0.776 | S | S | * | * | trans | 90.1 | 105.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3110 | N | 31 | Very low | 31.2 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 47.7 | 135 | 129.4 | -58.5 | -8.7 | 0 | 0 | 0 | 117.9 | |||||
| 3111 | N | 33.3 | Very low | 31 | Very low | 139.75 Ų | 139.75 | 133.6 Ų | 133.6 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | -176.5 | 152.6 | 74.9 | -99.4 | -13.4 | 0 | 0 | 0 | 115.8 | |||||
| 3112 | F | 29.6 | Very low | 31.1 | Very low | 186.75 Ų | 186.75 | 134.5 Ų | 134.5 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | -109.6 | 171.5 | 172.2 | -88.3 | -76.3 | 0 | 0 | 0 | 111.6 | ||||
| 3113 | P | 34.6 | Very low | 30.9 | Very low | 109.25 Ų | 109.25 | 137.3 Ų | 137.3 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | cis | -129.2 | -179.4 | -39.3 | 37.7 | -19.1 | 0 | 0 | 0 | 116.4 | ||||
| 3114 | L | 28.2 | Very low | 30.7 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -19.8 | 140.7 | 159.1 | -68.5 | 160.6 | 0 | 0 | 0 | 116.5 | Y3116 | L3114-Y3116 HydrophobicContact CD1-CE2 4.22Š| ||
| 3115 | Q | 29.6 | Very low | 30.7 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -159.7 | 146.5 | 139.2 | -95.3 | -176 | -5.7 | 0 | 0 | 114.9 | ||||
| 3116 | Y | 26.2 | Very low | 30.8 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -92.1 | 129.7 | 169.9 | -79.7 | -94.9 | 0 | 0 | 0 | 113.1 | L3114 | L3114-Y3116 HydrophobicContact CD1-CE2 4.22Š| ||
| 3117 | T | 29.5 | Very low | 31 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -149.5 | 155.3 | 139.5 | 48.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 3118 | S | 26.9 | Very low | 30.9 | Very low | 111.25 Ų | 111.25 | 132.8 Ų | 132.8 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | trans | -141 | 126.2 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3119 | S | 31.4 | Very low | 31 | Very low | 117.25 Ų | 117.25 | 133.2 Ų | 133.2 | 82% | 0.82 | 74% | 0.74 | S | S | * | * | trans | -174 | 136.3 | 152.3 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3120 | S | 28.3 | Very low | 30.9 | Very low | 108.25 Ų | 108.25 | 139.3 Ų | 139.3 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -46 | 145.8 | 165.5 | 59.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3121 | S | 31.4 | Very low | 31 | Very low | 98.75 Ų | 98.75 | 140.5 Ų | 140.5 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | 136.8 | 157.1 | 89.9 | 70.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 3122 | H | 33.2 | Very low | 30.8 | Very low | 168.5 Ų | 168.5 | 140.6 Ų | 140.6 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | 1.6 | 142.9 | 155.1 | -70.3 | -64.6 | 0 | 0 | 0 | 117.5 | ||||
| 3123 | Q | 32.1 | Very low | 30.9 | Very low | 148.25 Ų | 148.25 | 135 Ų | 135 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | -149.5 | 160.9 | 63.2 | -130.9 | 177.4 | 34.2 | 0 | 0 | 113 | |||||
| 3124 | R | 30 | Very low | 30.8 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | trans | 149 | 147.4 | 157.9 | -80.2 | 177.6 | -92.4 | 171.2 | 0.2 | 114.2 | Q2443 | Q2443-R3124 VanDerWaalsContact OE1-CZ 3.23Š| ||
| 3125 | D | 32.8 | Very low | 31.1 | Very low | 124.75 Ų | 124.75 | 133.9 Ų | 133.9 | 67% | 0.667 | 73% | 0.728 | S | S | * | * | -179.4 | 165.2 | 78.4 | -110.8 | -43.6 | 0 | 0 | 0 | 111.8 | R2439 | R2439-D3125 IonicContact CZ-OD2 2.7Å; R2439-D3125 IonicContact NH1-OD2 2.79Å; R2439-D3125 PolarHBondContact NH1-OD2 3.14Å | |||
| 3126 | S | 32.1 | Very low | 31.3 | Very low | 84.75 Ų | 84.75 | 131 Ų | 131 | 59% | 0.593 | 72% | 0.718 | S | S | * | * | -135.1 | 171.6 | -76.1 | -92.7 | 0 | 0 | 0 | 0 | 111.6 | R2440 S2441 | R2440-S3126 WeakPolarHBondContact CB-OG 3.16Å; R2440-S3126 PolarHBondContact O-OG 3.22Å; R2440-S3126 VanDerWaalsContact O-OG 3.11Å; S2441-S3126 WeakPolarHBondContact CA-OG 3.18Å | |||
| 3127 | P | 34.2 | Very low | 31.7 | Very low | 113.25 Ų | 113.25 | 128.9 Ų | 128.9 | 74% | 0.735 | 72% | 0.715 | S | S | * | * | trans | -108.5 | 164.7 | -153.5 | 36.3 | -28.8 | 0 | 0 | 0 | 115.8 | ||||
| 3128 | S | 30.6 | Very low | 31.9 | Very low | 94.75 Ų | 94.75 | 127.1 Ų | 127.1 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | 160.9 | 115.3 | 161.2 | 51.1 | 0 | 0 | 0 | 0 | 116.3 | R2440 R3130 | R2440-S3128 PolarHBondContact NE-OG 3.28Å; R2440-S3128 VanDerWaalsContact NH2-CB 3.35Å; S3128-R3130 PolarHBondContact O-N 3.24Å | ||
| 3129 | T | 33.3 | Very low | 32.1 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 69% | 0.693 | 69% | 0.691 | S | S | * | * | trans | -138.4 | 111.8 | 156.7 | -54.3 | 0 | 0 | 0 | 0 | 116.4 | Q3131 | T3129-Q3131 HydrophobicContact CG2-CG 4.04Å; T3129-Q3131 PolarHBondContact O-N 2.99Å | ||
| 3130 | R | 30.2 | Very low | 32.2 | Very low | 214.25 Ų | 214.25 | 124.6 Ų | 124.6 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | trans | -8.6 | 93.3 | 173.4 | -107.6 | -179.2 | -178.6 | -170.3 | -0.1 | 117.7 | S3128 N3132 N3134 | S3128-R3130 PolarHBondContact O-N 3.24Å; R3130-N3132 PolarHBondContact O-N 3.03Å; R3130-N3134 PolarHBondContact O-OD1 3.12Å | ||
| 3131 | Q | 33.4 | Very low | 32.3 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | 1.1 | 115.1 | 148.8 | -80.4 | 176.3 | -19 | 0 | 0 | 114.2 | T3129 A3133 N3134 T3135 | T3129-Q3131 HydrophobicContact CG2-CG 4.04Å; T3129-Q3131 PolarHBondContact O-N 2.99Å; Q3131-A3133 PolarHBondContact O-N 3.23Å; Q3131-N3134 PolarHBondContact O-N 3.22Å; Q3131-T3135 PolarHBondContact O-N 3.43Å; Q3131-T3135 PolarHBondContact O-OG1 2.89Å | ||
| 3132 | N | 29.1 | Very low | 32.3 | Very low | 142.75 Ų | 142.75 | 123.9 Ų | 123.9 | 76% | 0.763 | 67% | 0.669 | S | S | * | * | -89 | 117.9 | 122.8 | -114.2 | 0.6 | 0 | 0 | 0 | 112.5 | R3130 | R3130-N3132 PolarHBondContact O-N 3.03Š| |||
| 3133 | A | 31.4 | Very low | 32.3 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 56% | 0.562 | 67% | 0.665 | S | S | * | * | trans | -128.6 | 104.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q3131 T3135 N3136 Q3137 | Q3131-A3133 PolarHBondContact O-N 3.23Å; A3133-T3135 PolarHBondContact O-N 3.41Å; A3133-N3136 PolarHBondContact O-N 3.22Å; A3133-Q3137 WeakPolarHBondContact O-CG 3.48Å; A3133-Q3137 PolarHBondContact O-N 3.19Å; A3133-Q3137 VanDerWaalsContact O-N 3.09Å | ||
| 3134 | N | 32.1 | Very low | 32.2 | Very low | 133.75 Ų | 133.75 | 122.1 Ų | 122.1 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | trans | -75.5 | 38.3 | 169.6 | -70.7 | -5.6 | 0 | 0 | 0 | 113.6 | R3130 Q3131 N3136 Q3137 V3138 | R3130-N3134 PolarHBondContact O-OD1 3.12Å; Q3131-N3134 PolarHBondContact O-N 3.22Å; N3134-N3136 PolarHBondContact O-N 2.88Å; N3134-Q3137 PolarHBondContact O-N 2.98Å; N3134-V3138 WeakPolarHBondContact O-CB 3.34Å; N3134-V3138 VanDerWaalsContact O-CG2 3.3Å; N3134-V3138 WeakPolarHBondContact O-CG2 3.27Å; N3134-V3138 PolarHBondContact O-N 3.35Å | ||
| 3135 | T | 35.8 | Very low | 32.1 | Very low | 99.75 Ų | 99.75 | 116.4 Ų | 116.4 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | trans | -104.6 | -2.4 | 174.1 | 13.7 | 0 | 0 | 0 | 0 | 113.5 | L3055 V3058 Q3131 A3133 Q3137 A3139 | L3055-T3135 HydrophobicContact CD1-CG2 3.74Å; V3058-T3135 HydrophobicContact CG1-CG2 4.23Å; Q3131-T3135 PolarHBondContact O-N 3.43Å; Q3131-T3135 PolarHBondContact O-OG1 2.89Å; A3133-T3135 PolarHBondContact O-N 3.41Å; T3135-Q3137 VanDerWaalsContact C-N 3.28Å; T3135-Q3137 PolarHBondContact O-N 3.02Å; T3135-Q3137 VanDerWaalsContact O-N 3.11Å; T3135-A3139 VanDerWaalsContact O-CB 3.3Å; T3135-A3139 WeakPolarHBondContact O-CB 3.34Å; T3135-A3139 PolarHBondContact O-N 2.96Å | ||
| 3136 | N | 33.2 | Very low | 32 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 10.6 | -178.9 | -69.3 | -25 | 0 | 0 | 0 | 113.5 | A3133 N3134 A3139 I3140 I3179 | A3133-N3136 PolarHBondContact O-N 3.22Å; N3134-N3136 PolarHBondContact O-N 2.88Å; N3136-A3139 PolarHBondContact O-N 3.33Å; N3136-I3140 VanDerWaalsContact O-CG1 3.32Å; N3136-I3140 WeakPolarHBondContact O-CG1 3.39Å; N3136-I3140 PolarHBondContact O-N 2.74Å; N3136-I3179 HydrophobicContact CB-CD1 4.41Å |
| 3137 | Q | 35.7 | Very low | 31.9 | Very low | 158.75 Ų | 158.75 | 114.8 Ų | 114.8 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -6.7 | 174.7 | -70.6 | -174.6 | -5.3 | 0 | 0 | 112 | A3133 N3134 T3135 A3139 I3140 A3141 | A3133-Q3137 WeakPolarHBondContact O-CG 3.48Å; A3133-Q3137 PolarHBondContact O-N 3.19Å; A3133-Q3137 VanDerWaalsContact O-N 3.09Å; N3134-Q3137 PolarHBondContact O-N 2.98Å; T3135-Q3137 VanDerWaalsContact C-N 3.28Å; T3135-Q3137 PolarHBondContact O-N 3.02Å; T3135-Q3137 VanDerWaalsContact O-N 3.11Å; Q3137-A3139 VanDerWaalsContact C-N 3.29Å; Q3137-A3139 PolarHBondContact O-N 3.32Å; Q3137-I3140 PolarHBondContact O-N 3.08Å; Q3137-A3141 WeakPolarHBondContact O-CB 3.49Å; Q3137-A3141 PolarHBondContact O-N 3.06Å |
| 3138 | V | 32.2 | Very low | 31.9 | Very low | 99.5 Ų | 99.5 | 114.3 Ų | 114.3 | 60% | 0.603 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.8 | -13.8 | 161.1 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | N3134 I3140 A3141 L3142 | N3134-V3138 WeakPolarHBondContact O-CB 3.34Å; N3134-V3138 VanDerWaalsContact O-CG2 3.3Å; N3134-V3138 WeakPolarHBondContact O-CG2 3.27Å; N3134-V3138 PolarHBondContact O-N 3.35Å; V3138-I3140 VanDerWaalsContact C-N 3.3Å; V3138-I3140 HydrophobicContact CG1-CD1 4.28Å; V3138-I3140 HydrophobicContact CG1-CG1 4.02Å; V3138-I3140 PolarHBondContact O-N 3.17Å; V3138-A3141 PolarHBondContact O-N 3.21Å; V3138-L3142 HydrophobicContact CG1-CD1 3.92Å; V3138-L3142 HydrophobicContact CG1-CG 4.17Å; V3138-L3142 WeakPolarHBondContact O-CB 3.5Å; V3138-L3142 VanDerWaalsContact O-CG 3.24Å; V3138-L3142 WeakPolarHBondContact O-CG 3.21Å; V3138-L3142 PolarHBondContact O-N 3.36Å |
| 3139 | A | 31.1 | Very low | 31.9 | Very low | 62 Ų | 62 | 113.5 Ų | 113.5 | 51% | 0.512 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -57.6 | -3.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T3135 N3136 Q3137 L3143 I3179 | T3135-A3139 VanDerWaalsContact O-CB 3.3Å; T3135-A3139 WeakPolarHBondContact O-CB 3.34Å; T3135-A3139 PolarHBondContact O-N 2.96Å; N3136-A3139 PolarHBondContact O-N 3.33Å; Q3137-A3139 VanDerWaalsContact C-N 3.29Å; Q3137-A3139 PolarHBondContact O-N 3.32Å; A3139-L3143 WeakPolarHBondContact O-CB 3.23Å; A3139-L3143 PolarHBondContact O-N 3.36Å; A3139-I3179 HydrophobicContact CB-CD1 3.48Å; A3139-I3179 VanDerWaalsContact CB-CD1 3.48Å |
| 3140 | I | 33.7 | Very low | 32 | Very low | 113.25 Ų | 113.25 | 110.7 Ų | 110.7 | 58% | 0.581 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -96.6 | -14.5 | 175.5 | -63.3 | 173.8 | 0 | 0 | 0 | 110.7 | V3058 N3136 Q3137 V3138 L3142 L3143 L3144 I3179 | V3058-I3140 HydrophobicContact CG1-CG1 4.5Å; N3136-I3140 VanDerWaalsContact O-CG1 3.32Å; N3136-I3140 WeakPolarHBondContact O-CG1 3.39Å; N3136-I3140 PolarHBondContact O-N 2.74Å; Q3137-I3140 PolarHBondContact O-N 3.08Å; V3138-I3140 VanDerWaalsContact C-N 3.3Å; V3138-I3140 HydrophobicContact CG1-CD1 4.28Å; V3138-I3140 HydrophobicContact CG1-CG1 4.02Å; V3138-I3140 PolarHBondContact O-N 3.17Å; I3140-L3142 VanDerWaalsContact C-N 3.29Å; I3140-L3142 PolarHBondContact O-N 2.92Å; I3140-L3143 PolarHBondContact O-N 3.26Å; I3140-L3143 VanDerWaalsContact O-N 3.08Å; I3140-L3144 HydrophobicContact CG2-CD1 4.24Å; I3140-L3144 PolarHBondContact O-N 2.88Å; I3140-I3179 HydrophobicContact CG1-CD1 4.2Å |
| 3141 | A | 30.1 | Very low | 32.2 | Very low | 66.5 Ų | 66.5 | 104.2 Ų | 104.2 | 55% | 0.55 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -93.9 | -18.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q3137 V3138 L3144 G3145 T3146 | Q3137-A3141 WeakPolarHBondContact O-CB 3.49Å; Q3137-A3141 PolarHBondContact O-N 3.06Å; V3138-A3141 PolarHBondContact O-N 3.21Å; A3141-L3144 PolarHBondContact O-N 3.31Å; A3141-G3145 PolarHBondContact O-N 2.79Å; A3141-T3146 CarbonylContact C-O 3.49Å; A3141-T3146 WeakPolarHBondContact CB-O 3.22Å; A3141-T3146 CarbonylContact O-C 3.3Å; A3141-T3146 PolarHBondContact O-N 2.78Å; A3141-T3146 VanDerWaalsContact O-N 3.08Å; A3141-T3146 VanDerWaalsContact O-O 3.08Å; A3141-T3146 PolarHBondContact O-OG1 3.38Å |
| 3142 | L | 32.6 | Very low | 32.3 | Very low | 126.25 Ų | 126.25 | 98.3 Ų | 98.3 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -101.6 | -8.3 | -178.1 | -78.9 | 172.9 | 0 | 0 | 0 | 114 | Q3051 M3052 V3138 I3140 L3144 G3145 | Q3051-L3142 HydrophobicContact CG-CD1 4.08Å; M3052-L3142 HydrophobicContact CE-CD1 3.96Å; V3138-L3142 HydrophobicContact CG1-CD1 3.92Å; V3138-L3142 HydrophobicContact CG1-CG 4.17Å; V3138-L3142 WeakPolarHBondContact O-CB 3.5Å; V3138-L3142 VanDerWaalsContact O-CG 3.24Å; V3138-L3142 WeakPolarHBondContact O-CG 3.21Å; V3138-L3142 PolarHBondContact O-N 3.36Å; I3140-L3142 VanDerWaalsContact C-N 3.29Å; I3140-L3142 PolarHBondContact O-N 2.92Å; L3142-L3144 VanDerWaalsContact C-N 3.29Å; L3142-L3144 PolarHBondContact O-N 3.08Å; L3142-G3145 PolarHBondContact O-N 3.36Å; L3142-G3145 VanDerWaalsContact O-N 3.12Å |
| 3143 | L | 32.2 | Very low | 32.8 | Very low | 135.75 Ų | 135.75 | 94.8 Ų | 94.8 | 71% | 0.711 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -106.2 | 9.7 | -179.2 | -124.4 | 113.8 | 0 | 0 | 0 | 113.1 | Q3051 R3054 A3139 I3140 G3145 | Q3051-L3143 PolarHBondContact NE2-O 3.08Å; R3054-L3143 HydrophobicContact CB-CD2 3.93Å; A3139-L3143 WeakPolarHBondContact O-CB 3.23Å; A3139-L3143 PolarHBondContact O-N 3.36Å; I3140-L3143 PolarHBondContact O-N 3.26Å; I3140-L3143 VanDerWaalsContact O-N 3.08Å; L3143-G3145 VanDerWaalsContact C-N 3.27Å |
| 3144 | L | 31.3 | Very low | 32.9 | Very low | 144 Ų | 144 | 93.1 Ų | 93.1 | 75% | 0.754 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 41.7 | 168.9 | -103.7 | 85.7 | 0 | 0 | 0 | 110.7 | I3140 A3141 L3142 T3146 | I3140-L3144 HydrophobicContact CG2-CD1 4.24Å; I3140-L3144 PolarHBondContact O-N 2.88Å; A3141-L3144 PolarHBondContact O-N 3.31Å; L3142-L3144 VanDerWaalsContact C-N 3.29Å; L3142-L3144 PolarHBondContact O-N 3.08Å; L3144-T3146 HydrophobicContact CB-CG2 4.44Å; L3144-T3146 HydrophobicContact CD2-CG2 3.83Å; L3144-T3146 PolarHBondContact O-N 3.42Å |
| 3145 | G | 27.1 | Very low | 33.3 | Very low | 65 Ų | 65 | 91.2 Ų | 91.2 | 67% | 0.67 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -103.1 | 61.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A3141 L3142 L3143 T3147 | A3141-G3145 PolarHBondContact O-N 2.79Å; L3142-G3145 PolarHBondContact O-N 3.36Å; L3142-G3145 VanDerWaalsContact O-N 3.12Å; L3143-G3145 VanDerWaalsContact C-N 3.27Å; G3145-T3147 PolarHBondContact O-N 3.46Å; G3145-T3147 VanDerWaalsContact O-N 3.09Å |
| 3146 | T | 31 | Very low | 33.3 | Very low | 94 Ų | 94 | 89.6 Ų | 89.6 | 58% | 0.577 | 54% | 0.536 | S | S | * | . | trans | -103.8 | 109.6 | 171.5 | 62 | 0 | 0 | 0 | 0 | 112.6 | R2535 A3141 L3144 | R2535-T3146 PolarHBondContact NH1-OG1 2.84Å; A3141-T3146 CarbonylContact C-O 3.49Å; A3141-T3146 WeakPolarHBondContact CB-O 3.22Å; A3141-T3146 CarbonylContact O-C 3.3Å; A3141-T3146 PolarHBondContact O-N 2.78Å; A3141-T3146 VanDerWaalsContact O-N 3.08Å; A3141-T3146 VanDerWaalsContact O-O 3.08Å; A3141-T3146 PolarHBondContact O-OG1 3.38Å; L3144-T3146 HydrophobicContact CB-CG2 4.44Å; L3144-T3146 HydrophobicContact CD2-CG2 3.83Å; L3144-T3146 PolarHBondContact O-N 3.42Å | ||
| 3147 | T | 30.2 | Very low | 33.6 | Very low | 83.25 Ų | 83.25 | 87.5 Ų | 87.5 | 51% | 0.511 | 52% | 0.522 | S | S | . | . | trans | -76.1 | 140.7 | 157.3 | 40.3 | 0 | 0 | 0 | 0 | 109.5 | R3047 G3145 D3149 S3150 | R3047-T3147 PolarHBondContact NH2-OG1 3.06Å; G3145-T3147 PolarHBondContact O-N 3.46Å; G3145-T3147 VanDerWaalsContact O-N 3.09Å; T3147-D3149 PolarHBondContact O-N 2.66Å; T3147-S3150 PolarHBondContact O-N 2.84Å; T3147-S3150 WeakPolarHBondContact OG1-CB 3.48Å; T3147-S3150 PolarHBondContact OG1-OG 3.22Å | ||
| 3148 | T | 34.4 | Very low | 33.4 | Very low | 102.25 Ų | 102.25 | 82.6 Ų | 82.6 | 63% | 0.627 | 51% | 0.514 | S | S | * | . | trans | -87.4 | 58.6 | 166.8 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3149 | D | 30.8 | Very low | 33.3 | Very low | 76.5 Ų | 76.5 | 80.6 Ų | 80.6 | 41% | 0.409 | 51% | 0.508 | S | S | . | . | trans | -78.1 | 127.6 | 165.1 | -47.5 | -56.3 | 0 | 0 | 0 | 110.3 | R2809 P2881 E3037 R3047 T3147 P3151 | R2809-D3149 IonicContact CZ-OD1 3.37Å; R2809-D3149 IonicContact NE-OD1 3.9Å; R2809-D3149 PolarHBondContact NE-OD1 2.78Å; R2809-D3149 IonicContact NH1-OD1 3.64Å; R2809-D3149 PolarHBondContact NH1-OD1 3.3Å; R2809-D3149 IonicContact NH2-OD1 2.7Å; R2809-D3149 PolarHBondContact NH2-OD1 2.8Å; P2881-D3149 WeakPolarHBondContact CB-OD1 3.36Å; P2881-D3149 HydrophobicContact CG-CB 4.47Å; P2881-D3149 WeakPolarHBondContact CG-OD1 3.5Å; E3037-D3149 HydrophobicContact CG-CB 4.22Å; E3037-D3149 WeakPolarHBondContact OE1-CB 3.31Å; E3037-D3149 WeakPolarHBondContact OE2-CB 3.24Å; R3047-D3149 IonicContact NH2-OD2 3.8Å; T3147-D3149 PolarHBondContact O-N 2.66Å; D3149-P3151 WeakPolarHBondContact O-CD 3.49Å | ||
| 3150 | S | 34.2 | Very low | 33.2 | Very low | 56 Ų | 56 | 81.7 Ų | 81.7 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | trans | 26.5 | 100.3 | -167.8 | -58.1 | 0 | 0 | 0 | 0 | 115.3 | E3037 T3147 L3152 L3153 | E3037-S3150 VanDerWaalsContact OE1-CA 3.32Å; E3037-S3150 WeakPolarHBondContact OE1-CA 3.24Å; E3037-S3150 VanDerWaalsContact OE1-CB 3.31Å; E3037-S3150 WeakPolarHBondContact OE1-CB 3.42Å; E3037-S3150 PolarHBondContact OE1-N 3.31Å; E3037-S3150 PolarHBondContact OE1-OG 3.37Å; E3037-S3150 VanDerWaalsContact OE2-CB 3.25Å; E3037-S3150 WeakPolarHBondContact OE2-CB 3.04Å; E3037-S3150 PolarHBondContact OE2-OG 3.39Å; T3147-S3150 PolarHBondContact O-N 2.84Å; T3147-S3150 WeakPolarHBondContact OG1-CB 3.48Å; T3147-S3150 PolarHBondContact OG1-OG 3.22Å; S3150-L3152 PolarHBondContact O-N 3.14Å; S3150-L3153 PolarHBondContact O-N 3.2Å | ||
| 3151 | P | 34.3 | Very low | 33 | Very low | 76 Ų | 76 | 81.8 Ų | 81.8 | 49% | 0.494 | 52% | 0.52 | S | S | . | . | trans | -96.2 | 48.5 | -178.9 | 29.6 | -22.9 | 0 | 0 | 0 | 111.4 | R2809 L2861 E2887 D3149 L3153 G3154 T3155 | R2809-P3151 PolarHBondContact NH2-O 3.03Å; L2861-P3151 HydrophobicContact CD2-CB 3.95Å; L2861-P3151 HydrophobicContact CD2-CG 3.86Å; E2887-P3151 WeakPolarHBondContact OE2-CG 3.27Å; D3149-P3151 WeakPolarHBondContact O-CD 3.49Å; P3151-L3153 PolarHBondContact O-N 3.07Å; P3151-G3154 PolarHBondContact O-N 2.94Å; P3151-T3155 WeakPolarHBondContact O-CB 3.39Å; P3151-T3155 PolarHBondContact O-N 3.07Å; P3151-T3155 PolarHBondContact O-OG1 3.04Å; P3151-T3155 VanDerWaalsContact O-OG1 3.11Å | ||
| 3152 | L | 36.7 | Very low | 33.1 | Very low | 45.5 Ų | 45.5 | 84.3 Ų | 84.3 | 24% | 0.238 | 53% | 0.528 | C | S | . | . | trans | -64.5 | -21.4 | -174.7 | -120.1 | 165.4 | 0 | 0 | 0 | 114.3 | R2809 T2859 L2892 L3009 Y3034 E3037 S3150 L3156 | R2809-L3152 PolarHBondContact NH1-O 2.83Å; T2859-L3152 HydrophobicContact CG2-CD1 4Å; L2892-L3152 HydrophobicContact CD1-CD2 3.67Å; L2892-L3152 HydrophobicContact CG-CD2 4.29Å; L3009-L3152 HydrophobicContact CB-CD2 4.26Å; L3009-L3152 HydrophobicContact CD1-CD2 3.73Å; L3009-L3152 HydrophobicContact CD1-CG 3.87Å; L3009-L3152 HydrophobicContact CD2-CD2 4.29Å; L3009-L3152 HydrophobicContact CD2-CG 4.45Å; L3009-L3152 HydrophobicContact CG-CD2 4.31Å; Y3034-L3152 HydrophobicContact CD1-CD1 4Å; Y3034-L3152 HydrophobicContact CD1-CD2 4.07Å; Y3034-L3152 HydrophobicContact CD1-CG 4.09Å; Y3034-L3152 HydrophobicContact CE1-CB 4.32Å; Y3034-L3152 HydrophobicContact CE1-CD1 4.13Å; Y3034-L3152 HydrophobicContact CE1-CD2 3.52Å; Y3034-L3152 HydrophobicContact CE1-CG 3.91Å; E3037-L3152 VanDerWaalsContact CD-CD1 3.47Å; E3037-L3152 HydrophobicContact CG-CD1 4.31Å; E3037-L3152 VanDerWaalsContact OE2-CB 3.3Å; E3037-L3152 WeakPolarHBondContact OE2-CB 3.42Å; E3037-L3152 WeakPolarHBondContact OE2-CD1 3.31Å; S3150-L3152 PolarHBondContact O-N 3.14Å; L3152-L3156 HydrophobicContact CD2-CD1 3.87Å; L3152-L3156 WeakPolarHBondContact O-CB 3.38Å; L3152-L3156 VanDerWaalsContact O-CD1 3.3Å; L3152-L3156 WeakPolarHBondContact O-CD1 3.23Å | ||
| 3153 | L | 37.8 | Very low | 32.8 | Very low | 68.25 Ų | 68.25 | 82.7 Ų | 82.7 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -122 | -14.9 | 169.7 | -75.3 | 167.7 | 0 | 0 | 0 | 113.9 | L2861 E2887 L2890 L2892 A3006 S3150 P3151 T3155 L3156 F3157 | L2861-L3153 HydrophobicContact CD1-CD1 4.11Å; E2887-L3153 HydrophobicContact CB-CB 4.34Å; E2887-L3153 HydrophobicContact CB-CD1 4.49Å; E2887-L3153 HydrophobicContact CG-CB 4.01Å; E2887-L3153 HydrophobicContact CG-CD1 4.03Å; E2887-L3153 HydrophobicContact CG-CG 4.41Å; E2887-L3153 WeakPolarHBondContact O-CD1 3.49Å; E2887-L3153 VanDerWaalsContact OE1-CB 3.29Å; E2887-L3153 WeakPolarHBondContact OE1-CB 2.96Å; E2887-L3153 PolarHBondContact OE1-N 2.83Å; L2890-L3153 HydrophobicContact CB-CD1 4.23Å; L2890-L3153 HydrophobicContact CB-CD2 4.21Å; L2892-L3153 HydrophobicContact CD1-CD2 4.04Å; A3006-L3153 HydrophobicContact CB-CD2 3.88Å; A3006-L3153 WeakPolarHBondContact CB-O 3.32Å; S3150-L3153 PolarHBondContact O-N 3.2Å; P3151-L3153 PolarHBondContact O-N 3.07Å; L3153-T3155 PolarHBondContact O-N 3.46Å; L3153-L3156 WeakPolarHBondContact O-CB 3.08Å; L3153-L3156 PolarHBondContact O-N 3.09Å; L3153-L3156 VanDerWaalsContact O-N 3.08Å; L3153-F3157 HydrophobicContact CB-CD2 4.34Å; L3153-F3157 HydrophobicContact CB-CE2 4.45Å; L3153-F3157 HydrophobicContact CD2-CD2 4.29Å; L3153-F3157 HydrophobicContact CD2-CE2 3.91Å; L3153-F3157 WeakPolarHBondContact O-CD2 3.48Å; L3153-F3157 PolarHBondContact O-N 2.87Å; L3153-F3157 VanDerWaalsContact O-N 3.16Å |
| 3154 | G | 35 | Very low | 32.7 | Very low | 32.5 Ų | 32.5 | 80.8 Ų | 80.8 | 34% | 0.335 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78.6 | -27.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E2887 P3151 L3156 F3157 G3158 A3159 | E2887-G3154 WeakPolarHBondContact OE1-CA 3.26Å; E2887-G3154 PolarHBondContact OE1-N 3.5Å; E2887-G3154 VanDerWaalsContact OE1-N 3.07Å; E2887-G3154 PolarHBondContact OE2-N 3.49Å; E2887-G3154 VanDerWaalsContact OE2-N 3.11Å; P3151-G3154 PolarHBondContact O-N 2.94Å; G3154-L3156 VanDerWaalsContact C-N 3.27Å; G3154-L3156 PolarHBondContact O-N 2.98Å; G3154-L3156 VanDerWaalsContact O-N 3.13Å; G3154-F3157 PolarHBondContact O-N 3.14Å; G3154-G3158 PolarHBondContact O-N 3.13Å; G3154-A3159 PolarHBondContact O-N 2.66Å |
| 3155 | T | 39.2 | Very low | 32.5 | Very low | 93.25 Ų | 93.25 | 79.8 Ų | 79.8 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -82.4 | -9.9 | -171.3 | 10.5 | 0 | 0 | 0 | 0 | 114.8 | E2887 P3151 L3153 F3157 | E2887-T3155 WeakPolarHBondContact OE1-CB 3.43Å; E2887-T3155 WeakPolarHBondContact OE1-CG2 3.5Å; P3151-T3155 WeakPolarHBondContact O-CB 3.39Å; P3151-T3155 PolarHBondContact O-N 3.07Å; P3151-T3155 PolarHBondContact O-OG1 3.04Å; P3151-T3155 VanDerWaalsContact O-OG1 3.11Å; L3153-T3155 PolarHBondContact O-N 3.46Å; T3155-F3157 VanDerWaalsContact C-N 3.34Å; T3155-F3157 PolarHBondContact O-N 3.2Å; T3155-F3157 VanDerWaalsContact O-N 3.14Å |
| 3156 | L | 37.1 | Very low | 32.5 | Very low | 66.5 Ų | 66.5 | 80.7 Ų | 80.7 | 35% | 0.348 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.1 | -21.6 | 179.7 | -110.6 | 151.8 | 0 | 0 | 0 | 113.7 | L2890 L2892 S3005 A3006 L3009 L3152 L3153 G3154 | L2890-L3156 HydrophobicContact CB-CD2 4.49Å; L2892-L3156 HydrophobicContact CD2-CD1 4.49Å; L2892-L3156 HydrophobicContact CD2-CD2 4.49Å; S3005-L3156 WeakPolarHBondContact OG-CD2 3.43Å; A3006-L3156 VanDerWaalsContact CA-CD1 3.47Å; A3006-L3156 HydrophobicContact CB-CB 4.27Å; A3006-L3156 HydrophobicContact CB-CD1 3.63Å; A3006-L3156 HydrophobicContact CB-CD2 3.75Å; A3006-L3156 HydrophobicContact CB-CG 3.85Å; A3006-L3156 VanDerWaalsContact CB-O 3.29Å; A3006-L3156 WeakPolarHBondContact CB-O 3.45Å; A3006-L3156 WeakPolarHBondContact O-CD1 3.3Å; L3009-L3156 HydrophobicContact CB-CD1 4.05Å; L3009-L3156 HydrophobicContact CD1-CD1 4.02Å; L3152-L3156 HydrophobicContact CD2-CD1 3.87Å; L3152-L3156 WeakPolarHBondContact O-CB 3.38Å; L3152-L3156 VanDerWaalsContact O-CD1 3.3Å; L3152-L3156 WeakPolarHBondContact O-CD1 3.23Å; L3153-L3156 WeakPolarHBondContact O-CB 3.08Å; L3153-L3156 PolarHBondContact O-N 3.09Å; L3153-L3156 VanDerWaalsContact O-N 3.08Å; G3154-L3156 VanDerWaalsContact C-N 3.27Å; G3154-L3156 PolarHBondContact O-N 2.98Å; G3154-L3156 VanDerWaalsContact O-N 3.13Å |
| 3157 | F | 39.3 | Very low | 32.4 | Very low | 73.25 Ų | 73.25 | 81.2 Ų | 81.2 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 60.1 | -178.3 | -69.5 | -77 | 0 | 0 | 0 | 111.8 | R2809 R2884 L2890 S2891 L2892 S2893 G2894 L2895 A3006 L3009 Y3034 E3037 L3038 L3153 G3154 T3155 A3159 | R2809-F3157 PolarHBondContact NH1-O 3.48Å; R2809-F3157 VanDerWaalsContact NH1-O 3.11Å; R2809-F3157 PolarHBondContact NH2-O 3.33Å; R2884-F3157 PolarHBondContact NH2-O 3.36Å; L2890-F3157 HydrophobicContact CB-CD2 4.32Å; L2890-F3157 HydrophobicContact CB-CE2 4.33Å; L2890-F3157 HydrophobicContact CD1-CB 4.24Å; L2890-F3157 HydrophobicContact CD1-CD2 3.8Å; L2890-F3157 HydrophobicContact CD1-CG 4.32Å; L2890-F3157 HydrophobicContact CD2-CD2 3.97Å; L2890-F3157 HydrophobicContact CD2-CE2 4.2Å; L2890-F3157 HydrophobicContact CD2-CG 4.33Å; L2890-F3157 HydrophobicContact CG-CD2 4.26Å; S2891-F3157 WeakPolarHBondContact O-CE2 3.33Å; L2892-F3157 HydrophobicContact CD2-CE2 3.71Å; L2892-F3157 HydrophobicContact CD2-CZ 3.86Å; L2892-F3157 VanDerWaalsContact O-CZ 3.31Å; L2892-F3157 WeakPolarHBondContact O-CZ 3.5Å; S2893-F3157 WeakPolarHBondContact O-CE1 3.39Å; G2894-F3157 VanDerWaalsContact C-CZ 3.47Å; L2895-F3157 HydrophobicContact CD2-CB 3.87Å; L2895-F3157 HydrophobicContact CD2-CD1 3.3Å; L2895-F3157 HydrophobicContact CD2-CD2 4.46Å; L2895-F3157 HydrophobicContact CD2-CE1 3.9Å; L2895-F3157 HydrophobicContact CD2-CG 3.63Å; L2895-F3157 HydrophobicContact CG-CD1 3.66Å; L2895-F3157 HydrophobicContact CG-CE1 3.83Å; L2895-F3157 HydrophobicContact CG-CG 4.45Å; A3006-F3157 HydrophobicContact CB-CE1 4.37Å; L3009-F3157 HydrophobicContact CB-CE2 4.34Å; L3009-F3157 HydrophobicContact CD1-CD2 3.56Å; L3009-F3157 HydrophobicContact CD1-CE2 3.52Å; L3009-F3157 HydrophobicContact CD2-CD2 4.34Å; L3009-F3157 HydrophobicContact CD2-CE2 3.56Å; L3009-F3157 HydrophobicContact CD2-CZ 3.99Å; L3009-F3157 HydrophobicContact CG-CE2 3.98Å; Y3034-F3157 HydrophobicContact CD1-CB 4.03Å; Y3034-F3157 AromaticContact CD1-CD1 3.46Å; Y3034-F3157 HydrophobicContact CD1-CD1 3.46Å; Y3034-F3157 VanDerWaalsContact CD1-CD1 3.46Å; Y3034-F3157 AromaticContact CD1-CD2 3.61Å; Y3034-F3157 HydrophobicContact CD1-CD2 3.61Å; Y3034-F3157 AromaticContact CD1-CE1 3.73Å; Y3034-F3157 HydrophobicContact CD1-CE1 3.73Å; Y3034-F3157 AromaticContact CD1-CE2 3.89Å; Y3034-F3157 HydrophobicContact CD1-CE2 3.89Å; Y3034-F3157 AromaticContact CD1-CG 3.39Å; Y3034-F3157 HydrophobicContact CD1-CG 3.39Å; Y3034-F3157 AromaticContact CD1-CZ 3.93Å; Y3034-F3157 HydrophobicContact CD1-CZ 3.93Å; Y3034-F3157 HydrophobicContact CE1-CB 3.68Å; Y3034-F3157 HydrophobicContact CE1-CD1 4.02Å; Y3034-F3157 AromaticContact CE1-CD2 3.58Å; Y3034-F3157 HydrophobicContact CE1-CD2 3.58Å; Y3034-F3157 HydrophobicContact CE1-CE2 4.24Å; Y3034-F3157 AromaticContact CE1-CG 3.46Å; Y3034-F3157 HydrophobicContact CE1-CG 3.46Å; Y3034-F3157 VanDerWaalsContact CE1-CG 3.46Å; Y3034-F3157 HydrophobicContact CG-CD1 4.26Å; Y3034-F3157 HydrophobicContact CG-CE1 4.44Å; E3037-F3157 HydrophobicContact CB-CD1 3.72Å; E3037-F3157 HydrophobicContact CB-CE1 3.85Å; E3037-F3157 HydrophobicContact CG-CD1 4.4Å; E3037-F3157 WeakPolarHBondContact OE2-CA 3.4Å; E3037-F3157 WeakPolarHBondContact OE2-CD1 3.47Å; L3038-F3157 HydrophobicContact CD1-CE1 4.46Å; L3038-F3157 HydrophobicContact CD1-CZ 4.26Å; L3038-F3157 HydrophobicContact CD2-CE1 4.36Å; L3038-F3157 HydrophobicContact CD2-CZ 3.89Å; L3038-F3157 HydrophobicContact CG-CE1 3.93Å; L3038-F3157 HydrophobicContact CG-CZ 3.88Å; L3153-F3157 HydrophobicContact CB-CD2 4.34Å; L3153-F3157 HydrophobicContact CB-CE2 4.45Å; L3153-F3157 HydrophobicContact CD2-CD2 4.29Å; L3153-F3157 HydrophobicContact CD2-CE2 3.91Å; L3153-F3157 WeakPolarHBondContact O-CD2 3.48Å; L3153-F3157 PolarHBondContact O-N 2.87Å; L3153-F3157 VanDerWaalsContact O-N 3.16Å; G3154-F3157 PolarHBondContact O-N 3.14Å; T3155-F3157 VanDerWaalsContact C-N 3.34Å; T3155-F3157 PolarHBondContact O-N 3.2Å; T3155-F3157 VanDerWaalsContact O-N 3.14Å; F3157-A3159 PolarHBondContact O-N 3.05Å |
| 3158 | G | 30.5 | Very low | 32.3 | Very low | 55 Ų | 55 | 82.2 Ų | 82.2 | 57% | 0.567 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -6 | 45.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R2884 G3154 S3160 | R2884-G3158 PolarHBondContact NH1-O 3.04Å; R2884-G3158 VanDerWaalsContact NH1-O 3.13Å; G3154-G3158 PolarHBondContact O-N 3.13Å; G3158-S3160 VanDerWaalsContact C-N 3.31Å; G3158-S3160 PolarHBondContact O-N 3.24Å; G3158-S3160 VanDerWaalsContact O-N 3.16Å |
| 3159 | A | 31.6 | Very low | 32 | Very low | 57.5 Ų | 57.5 | 82.1 Ų | 82.1 | 48% | 0.475 | 53% | 0.527 | S | S | . | . | trans | -87.4 | 113.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | R2809 G3154 F3157 P3161 | R2809-A3159 PolarHBondContact NH2-O 3.4Å; G3154-A3159 PolarHBondContact O-N 2.66Å; F3157-A3159 PolarHBondContact O-N 3.05Å; A3159-P3161 VanDerWaalsContact O-N 3.17Å | ||
| 3160 | S | 29.1 | Very low | 31.8 | Very low | 85.25 Ų | 85.25 | 85.3 Ų | 85.3 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | trans | -49.9 | 138.9 | 171 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | G3158 V3162 | G3158-S3160 VanDerWaalsContact C-N 3.31Å; G3158-S3160 PolarHBondContact O-N 3.24Å; G3158-S3160 VanDerWaalsContact O-N 3.16Å; S3160-V3162 PolarHBondContact O-N 3.3Å | ||
| 3161 | P | 28.8 | Very low | 31.5 | Very low | 114.75 Ų | 114.75 | 86.1 Ų | 86.1 | 75% | 0.745 | 55% | 0.55 | S | S | * | * | trans | -65.5 | 92.3 | 176 | 27.6 | -34.5 | 0 | 0 | 0 | 110.4 | A3159 T3163 | A3159-P3161 VanDerWaalsContact O-N 3.17Å; P3161-T3163 PolarHBondContact O-N 3.15Å; P3161-T3163 VanDerWaalsContact O-N 3.12Å; P3161-T3163 PolarHBondContact O-OG1 3.34Å | ||
| 3162 | V | 30.8 | Very low | 31.4 | Very low | 120.5 Ų | 120.5 | 88.2 Ų | 88.2 | 73% | 0.73 | 56% | 0.556 | S | S | * | * | trans | -81.3 | 105.8 | 161.6 | -179.3 | 0 | 0 | 0 | 0 | 106.2 | S3160 P3164 | S3160-V3162 PolarHBondContact O-N 3.3Å; V3162-P3164 VanDerWaalsContact O-CD 3.31Å; V3162-P3164 WeakPolarHBondContact O-CD 3.22Å | ||
| 3163 | T | 27.7 | Very low | 31.2 | Very low | 92.25 Ų | 92.25 | 92 Ų | 92 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | trans | -54.3 | 118.6 | -177.3 | -38.5 | 0 | 0 | 0 | 0 | 109.2 | P3161 T3165 | P3161-T3163 PolarHBondContact O-N 3.15Å; P3161-T3163 VanDerWaalsContact O-N 3.12Å; P3161-T3163 PolarHBondContact O-OG1 3.34Å; T3163-T3165 WeakPolarHBondContact O-CA 3.26Å; T3163-T3165 PolarHBondContact O-N 2.88Å; T3163-T3165 VanDerWaalsContact O-N 3.09Å | ||
| 3164 | P | 28.9 | Very low | 30.8 | Very low | 95.75 Ų | 95.75 | 93.7 Ų | 93.7 | 62% | 0.622 | 60% | 0.598 | S | S | * | * | trans | -69.4 | 105.8 | 178.2 | 26.9 | -31.7 | 0 | 0 | 0 | 108.2 | V3162 S3166 V3167 | V3162-P3164 VanDerWaalsContact O-CD 3.31Å; V3162-P3164 WeakPolarHBondContact O-CD 3.22Å; P3164-S3166 VanDerWaalsContact C-N 3.28Å; P3164-S3166 CarbonylContact O-C 3.59Å; P3164-S3166 WeakPolarHBondContact O-CA 3.11Å; P3164-S3166 PolarHBondContact O-N 3.26Å; P3164-V3167 HydrophobicContact CB-CG2 4.16Å; P3164-V3167 WeakPolarHBondContact O-CG2 3.32Å; P3164-V3167 PolarHBondContact O-N 2.92Å | ||
| 3165 | T | 27.3 | Very low | 30.7 | Very low | 122.25 Ų | 122.25 | 95.4 Ų | 95.4 | 75% | 0.75 | 62% | 0.616 | S | S | * | * | trans | -53.8 | 110.6 | -171.8 | 25.4 | 0 | 0 | 0 | 0 | 110.8 | T3163 V3167 | T3163-T3165 WeakPolarHBondContact O-CA 3.26Å; T3163-T3165 PolarHBondContact O-N 2.88Å; T3163-T3165 VanDerWaalsContact O-N 3.09Å; T3165-V3167 PolarHBondContact O-N 3.12Å | ||
| 3166 | S | 27.6 | Very low | 30.9 | Very low | 85 Ų | 85 | 97.9 Ų | 97.9 | 59% | 0.594 | 62% | 0.621 | S | S | * | * | trans | -14.6 | 81.4 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | P3164 T3168 | P3164-S3166 VanDerWaalsContact C-N 3.28Å; P3164-S3166 CarbonylContact O-C 3.59Å; P3164-S3166 WeakPolarHBondContact O-CA 3.11Å; P3164-S3166 PolarHBondContact O-N 3.26Å; S3166-T3168 WeakPolarHBondContact CB-OG1 3.48Å; S3166-T3168 PolarHBondContact O-N 3.21Å; S3166-T3168 PolarHBondContact OG-OG1 3.34Å | ||
| 3167 | V | 28.7 | Very low | 31.7 | Very low | 102.75 Ų | 102.75 | 101.5 Ų | 101.5 | 62% | 0.623 | 64% | 0.636 | S | S | * | * | trans | -80.3 | 77.2 | 166.5 | -94.5 | 0 | 0 | 0 | 0 | 110.1 | P3164 T3165 S3169 I3172 T3329 | P3164-V3167 HydrophobicContact CB-CG2 4.16Å; P3164-V3167 WeakPolarHBondContact O-CG2 3.32Å; P3164-V3167 PolarHBondContact O-N 2.92Å; T3165-V3167 PolarHBondContact O-N 3.12Å; V3167-S3169 PolarHBondContact O-N 3.15Å; V3167-S3169 PolarHBondContact O-OG 3.16Å; V3167-S3169 VanDerWaalsContact O-OG 3.09Å; V3167-I3172 HydrophobicContact CB-CD1 4.25Å; V3167-I3172 HydrophobicContact CG1-CD1 4.17Å; V3167-T3329 HydrophobicContact CB-CG2 4.26Å; V3167-T3329 HydrophobicContact CG2-CG2 4.33Å | ||
| 3168 | T | 27.7 | Very low | 32.7 | Very low | 105.25 Ų | 105.25 | 99.7 Ų | 99.7 | 65% | 0.646 | 63% | 0.632 | S | S | * | * | trans | -72.9 | 97.7 | 178 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | S3166 N3170 S3171 T3329 | S3166-T3168 WeakPolarHBondContact CB-OG1 3.48Å; S3166-T3168 PolarHBondContact O-N 3.21Å; S3166-T3168 PolarHBondContact OG-OG1 3.34Å; T3168-N3170 PolarHBondContact O-N 3.18Å; T3168-N3170 VanDerWaalsContact O-N 3.12Å; T3168-S3171 PolarHBondContact O-N 3.46Å; T3168-T3329 WeakPolarHBondContact O-CB 3.43Å; T3168-T3329 WeakPolarHBondContact O-CG2 3.24Å; T3168-T3329 PolarHBondContact O-OG1 3.39Å | ||
| 3169 | S | 28.3 | Very low | 34.9 | Very low | 99.25 Ų | 99.25 | 100.4 Ų | 100.4 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | trans | -93.1 | 62.6 | -175.6 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | V3167 S3171 V3173 | V3167-S3169 PolarHBondContact O-N 3.15Å; V3167-S3169 PolarHBondContact O-OG 3.16Å; V3167-S3169 VanDerWaalsContact O-OG 3.09Å; S3169-S3171 VanDerWaalsContact C-N 3.32Å; S3169-S3171 PolarHBondContact O-N 2.65Å; S3169-V3173 WeakPolarHBondContact O-CG2 3.39Å | ||
| 3170 | N | 27.7 | Very low | 37.2 | Very low | 144.75 Ų | 144.75 | 99.8 Ų | 99.8 | 77% | 0.774 | 61% | 0.611 | S | S | * | * | trans | -101.3 | 27.3 | 178.3 | -74 | -19.7 | 0 | 0 | 0 | 112.1 | T3168 T3329 | T3168-N3170 PolarHBondContact O-N 3.18Å; T3168-N3170 VanDerWaalsContact O-N 3.12Å; N3170-T3329 PolarHBondContact N-OG1 3.41Å | ||
| 3171 | S | 26.9 | Very low | 39.8 | Very low | 72.25 Ų | 72.25 | 97.1 Ų | 97.1 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -119.8 | 36.2 | 177 | 177.9 | 0 | 0 | 0 | 0 | 114 | T3168 S3169 V3173 S3174 H3328 T3329 | T3168-S3171 PolarHBondContact O-N 3.46Å; S3169-S3171 VanDerWaalsContact C-N 3.32Å; S3169-S3171 PolarHBondContact O-N 2.65Å; S3171-V3173 VanDerWaalsContact C-N 3.27Å; S3171-S3174 PolarHBondContact O-OG 3.02Å; S3171-H3328 PolarHBondContact OG-CE1 2.86Å; S3171-H3328 PolarHBondContact OG-ND1 3.09Å; S3171-T3329 WeakPolarHBondContact CB-O 3.35Å; S3171-T3329 PolarHBondContact N-OG1 2.89Å; S3171-T3329 VanDerWaalsContact N-OG1 3.12Å |
| 3172 | I | 32.4 | Very low | 42.7 | Very low | 121 Ų | 121 | 92.6 Ų | 92.6 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | trans | -80.8 | 52.1 | 166 | -58.4 | 172.2 | 0 | 0 | 0 | 111.2 | V3167 S3174 | V3167-I3172 HydrophobicContact CB-CD1 4.25Å; V3167-I3172 HydrophobicContact CG1-CD1 4.17Å; I3172-S3174 WeakPolarHBondContact CG2-O 3.29Å; I3172-S3174 WeakPolarHBondContact CG2-OG 3.34Å; I3172-S3174 PolarHBondContact O-N 3.12Å | ||
| 3173 | V | 33.5 | Very low | 45.4 | Very low | 124.5 Ų | 124.5 | 92.2 Ų | 92.2 | 76% | 0.755 | 55% | 0.548 | S | S | * | . | trans | -56.7 | 47.8 | 170.3 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | S3169 S3171 G3175 | S3169-V3173 WeakPolarHBondContact O-CG2 3.39Å; S3171-V3173 VanDerWaalsContact C-N 3.27Å; V3173-G3175 VanDerWaalsContact C-N 3.29Å; V3173-G3175 PolarHBondContact O-N 3.02Å | ||
| 3174 | S | 29.4 | Very low | 48.4 | Very low | 103.25 Ų | 103.25 | 95.4 Ų | 95.4 | 72% | 0.722 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -141.6 | 76.6 | 167.2 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | S3171 I3172 | S3171-S3174 PolarHBondContact O-OG 3.02Å; I3172-S3174 WeakPolarHBondContact CG2-O 3.29Å; I3172-S3174 WeakPolarHBondContact CG2-OG 3.34Å; I3172-S3174 PolarHBondContact O-N 3.12Å |
| 3175 | G | 31.5 | Very low | 51.4 | Low | 68.75 Ų | 68.75 | 92.5 Ų | 92.5 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | trans | 131.5 | 43.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V3173 Q3177 | V3173-G3175 VanDerWaalsContact C-N 3.29Å; V3173-G3175 PolarHBondContact O-N 3.02Å; G3175-Q3177 PolarHBondContact O-N 3.01Å; G3175-Q3177 VanDerWaalsContact O-N 3.1Å | ||
| 3176 | Q | 43.8 | Very low | 54.5 | Low | 146.25 Ų | 146.25 | 91.2 Ų | 91.2 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | trans | -67.9 | 115.5 | 175.2 | -93.3 | -178.9 | -13.7 | 0 | 0 | 111.6 | P3178 | Q3176-P3178 WeakPolarHBondContact O-CD 3.47Š| ||
| 3177 | Q | 53.5 | Low | 57.7 | Low | 142 Ų | 142 | 87.3 Ų | 87.3 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | trans | -66.2 | 139.9 | 169.5 | -74.2 | -150.4 | -15.3 | 0 | 0 | 110.5 | Y3086 G3175 I3179 | Y3086-Q3177 PolarHBondContact OH-OE1 2.92Å; G3175-Q3177 PolarHBondContact O-N 3.01Å; G3175-Q3177 VanDerWaalsContact O-N 3.1Å; Q3177-I3179 PolarHBondContact O-N 3.19Å; Q3177-I3179 VanDerWaalsContact O-N 3.15Å | ||
| 3178 | P | 60.9 | Low | 60.7 | Low | 34.5 Ų | 34.5 | 85.2 Ų | 85.2 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | trans | -72 | 115.6 | -178.6 | 26 | -32 | 0 | 0 | 0 | 112.3 | R3089 Q3090 T3093 Q3176 | R3089-P3178 HydrophobicContact CB-CB 4.43Å; Q3090-P3178 HydrophobicContact CB-CG 4.42Å; Q3090-P3178 HydrophobicContact CG-CG 4.11Å; T3093-P3178 HydrophobicContact CG2-CB 3.64Å; T3093-P3178 VanDerWaalsContact CG2-CB 3.45Å; T3093-P3178 HydrophobicContact CG2-CG 3.89Å; Q3176-P3178 WeakPolarHBondContact O-CD 3.47Å | ||
| 3179 | I | 77.1 | Confident | 63.9 | Low | 71.5 Ų | 71.5 | 80.8 Ų | 80.8 | 37% | 0.367 | 44% | 0.444 | S | S | . | . | trans | -78.8 | 142.9 | 174.8 | -1.7 | 174.1 | 0 | 0 | 0 | 111.4 | L3055 R3089 N3136 A3139 I3140 Q3177 S3181 D3783 | L3055-I3179 HydrophobicContact CD1-CD1 4.09Å; R3089-I3179 PolarHBondContact NH1-O 3.43Å; R3089-I3179 VanDerWaalsContact NH1-O 3.16Å; N3136-I3179 HydrophobicContact CB-CD1 4.41Å; A3139-I3179 HydrophobicContact CB-CD1 3.48Å; A3139-I3179 VanDerWaalsContact CB-CD1 3.48Å; I3140-I3179 HydrophobicContact CG1-CD1 4.2Å; Q3177-I3179 PolarHBondContact O-N 3.19Å; Q3177-I3179 VanDerWaalsContact O-N 3.15Å; I3179-S3181 PolarHBondContact O-N 3.01Å; I3179-S3181 VanDerWaalsContact O-N 3.12Å; I3179-D3783 CarbonylContact C-O 3.59Å; I3179-D3783 VanDerWaalsContact CA-O 3.29Å; I3179-D3783 WeakPolarHBondContact CA-O 3.44Å | ||
| 3180 | L | 80.1 | Confident | 66.8 | Low | 44.75 Ų | 44.75 | 79.9 Ų | 79.9 | 23% | 0.234 | 43% | 0.428 | C | S | . | . | trans | -71 | 50.3 | 174.2 | -86 | 171.3 | 0 | 0 | 0 | 112.8 | E3085 Y3086 R3089 C3182 R3643 D3783 V3784 | E3085-L3180 HydrophobicContact CB-CD2 4.23Å; Y3086-L3180 HydrophobicContact CD2-CD1 3.87Å; Y3086-L3180 HydrophobicContact CD2-CD2 3.93Å; Y3086-L3180 HydrophobicContact CD2-CG 4Å; Y3086-L3180 HydrophobicContact CG-CD1 4.44Å; R3089-L3180 HydrophobicContact CB-CD2 4.03Å; R3089-L3180 VanDerWaalsContact CD-CD2 3.45Å; R3089-L3180 VanDerWaalsContact NH1-C 3.29Å; R3089-L3180 PolarHBondContact NH1-O 3.02Å; R3089-L3180 VanDerWaalsContact NH1-O 3.13Å; L3180-C3182 PolarHBondContact O-N 3.31Å; L3180-R3643 HydrophobicContact CD1-CG 4.01Å; L3180-D3783 PolarHBondContact N-O 3.09Å; L3180-V3784 HydrophobicContact CB-CB 4.3Å; L3180-V3784 HydrophobicContact CB-CG1 4.36Å; L3180-V3784 HydrophobicContact CB-CG2 3.88Å; L3180-V3784 HydrophobicContact CD1-CG2 4.26Å | ||
| 3181 | S | 83.8 | Confident | 69.7 | Low | 28.25 Ų | 28.25 | 81 Ų | 81 | 20% | 0.198 | 43% | 0.434 | C | S | . | . | trans | -75.6 | 133 | 176.1 | 84.5 | 0 | 0 | 0 | 0 | 112.7 | S3059 R3089 I3179 | S3059-S3181 VanDerWaalsContact CB-OG 3.24Å; S3059-S3181 WeakPolarHBondContact CB-OG 3.43Å; S3059-S3181 PolarHBondContact OG-O 3.11Å; R3089-S3181 PolarHBondContact NH1-O 3.29Å; I3179-S3181 PolarHBondContact O-N 3.01Å; I3179-S3181 VanDerWaalsContact O-N 3.12Å | ||
| 3182 | C | 88.5 | Confident | 72.7 | Confident | 19.5 Ų | 19.5 | 81 Ų | 81 | 13% | 0.132 | 43% | 0.426 | C | S | . | . | trans | -127.9 | 149.4 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 112 | S3059 R3061 L3063 L3180 | S3059-C3182 PolarHBondContact OG-O 3.08Å; R3061-C3182 CarbonylContact O-C 3.51Å; R3061-C3182 VanDerWaalsContact O-CA 3.25Å; R3061-C3182 WeakPolarHBondContact O-CA 3.35Å; L3063-C3182 HydrophobicContact CB-CB 3.88Å; L3180-C3182 PolarHBondContact O-N 3.31Å | ||
| 3183 | R | 88.8 | Confident | 75.3 | Confident | 112.25 Ų | 112.25 | 81.7 Ų | 81.7 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -78 | -45 | 179 | -176.5 | 179.8 | 176.5 | 92.2 | 2.1 | 111.9 | R3056 N3057 S3059 R3061 | R3056-R3183 VanDerWaalsContact CD-O 3.3Å; R3056-R3183 WeakPolarHBondContact CD-O 3.41Å; R3056-R3183 WeakPolarHBondContact CG-O 3.41Å; R3056-R3183 WeakPolarHBondContact O-CA 3.32Å; N3057-R3183 PolarHBondContact OD1-NH1 3.31Å; S3059-R3183 WeakPolarHBondContact O-CB 3.43Å; S3059-R3183 WeakPolarHBondContact OG-CA 3.47Å; S3059-R3183 PolarHBondContact OG-N 3Å; R3061-R3183 PolarHBondContact O-N 3.22Å |
| 3184 | R | 90.1 | Very high | 77.8 | Confident | 159 Ų | 159 | 77.6 Ų | 77.6 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | trans | -137.6 | 157.2 | 168.7 | -62.1 | 179.8 | 153.5 | 174.8 | -2.5 | 109.1 | D3062 L3063 | D3062-R3184 CarbonylContact C-O 3.46Å; D3062-R3184 VanDerWaalsContact CA-O 3.26Å; D3062-R3184 WeakPolarHBondContact CA-O 3.28Å; D3062-R3184 WeakPolarHBondContact CB-O 3.35Å; D3062-R3184 WeakPolarHBondContact OD1-CB 3.36Å; D3062-R3184 PolarHBondContact OD1-N 3.03Å; L3063-R3184 PolarHBondContact N-O 3.06Å | ||
| 3185 | I | 92 | Very high | 80.4 | Confident | 35.25 Ų | 35.25 | 80.7 Ų | 80.7 | 18% | 0.181 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.8 | 163.9 | -60.1 | 169.4 | 0 | 0 | 0 | 106.1 | L3063 L3065 V3187 F3204 L3647 T3651 | L3063-I3185 HydrophobicContact CB-CG1 4.32Å; L3063-I3185 HydrophobicContact CD2-CG1 4.41Å; L3063-I3185 CarbonylContact O-C 3.42Å; L3063-I3185 WeakPolarHBondContact O-CA 3.45Å; L3065-I3185 HydrophobicContact CD1-CG2 4.25Å; I3185-V3187 HydrophobicContact CG2-CG2 3.85Å; I3185-F3204 HydrophobicContact CD1-CE1 4.35Å; I3185-F3204 HydrophobicContact CD1-CE2 4.47Å; I3185-F3204 HydrophobicContact CD1-CZ 3.83Å; I3185-L3647 HydrophobicContact CD1-CB 3.78Å; I3185-L3647 HydrophobicContact CD1-CD1 4.44Å; I3185-L3647 HydrophobicContact CD1-CD2 3.92Å; I3185-L3647 HydrophobicContact CD1-CG 4.25Å; I3185-L3647 HydrophobicContact CG1-CD2 4.38Å; I3185-T3651 HydrophobicContact CB-CG2 4.38Å; I3185-T3651 HydrophobicContact CD1-CG2 3.47Å; I3185-T3651 VanDerWaalsContact CD1-CG2 3.47Å; I3185-T3651 HydrophobicContact CG1-CG2 3.65Å |
| 3186 | K | 92.8 | Very high | 83.2 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.9 | 172.5 | -73.8 | 167.4 | 168.8 | 159.7 | 0 | 106.6 | D3062 L3063 V3064 L3065 | D3062-K3186 HydrophobicContact CB-CD 4.42Å; D3062-K3186 VanDerWaalsContact OD2-CE 3.29Å; D3062-K3186 WeakPolarHBondContact OD2-CE 3.38Å; D3062-K3186 IonicContact OD2-NZ 3.09Å; D3062-K3186 PolarHBondContact OD2-NZ 2.93Å; L3063-K3186 PolarHBondContact O-N 3.17Å; V3064-K3186 CarbonylContact C-O 3.33Å; V3064-K3186 WeakPolarHBondContact CA-O 3.29Å; V3064-K3186 HydrophobicContact CG2-CB 4.36Å; V3064-K3186 HydrophobicContact CG2-CD 4.37Å; L3065-K3186 PolarHBondContact N-O 3.06Å |
| 3187 | V | 93.8 | Very high | 85.3 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135 | 173.2 | -168.7 | 0 | 0 | 0 | 0 | 107.9 | L3065 V3067 I3185 F3189 V3199 A3200 F3203 | L3065-V3187 HydrophobicContact CB-CG1 4.41Å; L3065-V3187 HydrophobicContact CB-CG2 4.45Å; L3065-V3187 VanDerWaalsContact O-CA 3.31Å; L3065-V3187 WeakPolarHBondContact O-CA 3.24Å; V3067-V3187 HydrophobicContact CB-CG1 4.47Å; V3067-V3187 HydrophobicContact CG2-CG1 4.16Å; I3185-V3187 HydrophobicContact CG2-CG2 3.85Å; V3187-F3189 HydrophobicContact CG1-CE2 4.34Å; V3187-V3199 HydrophobicContact CB-CG1 4.23Å; V3187-V3199 VanDerWaalsContact O-CG1 3.31Å; V3187-V3199 WeakPolarHBondContact O-CG1 3.33Å; V3187-A3200 HydrophobicContact CG2-CB 4.45Å; V3187-F3203 HydrophobicContact CB-CB 4.24Å; V3187-F3203 HydrophobicContact CB-CG 4.43Å; V3187-F3203 HydrophobicContact CG1-CB 3.89Å; V3187-F3203 HydrophobicContact CG1-CD2 3.98Å; V3187-F3203 HydrophobicContact CG1-CG 3.95Å; V3187-F3203 HydrophobicContact CG2-CB 4Å; V3187-F3203 HydrophobicContact CG2-CD1 3.91Å; V3187-F3203 HydrophobicContact CG2-CE1 4.48Å; V3187-F3203 HydrophobicContact CG2-CG 3.89Å |
| 3188 | T | 92.7 | Very high | 87.2 | Confident | 59.25 Ų | 59.25 | 70 Ų | 70 | 36% | 0.363 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.8 | 169.7 | 50.4 | 0 | 0 | 0 | 0 | 107.6 | L3065 E3066 V3067 | L3065-T3188 PolarHBondContact O-N 3Å; E3066-T3188 WeakPolarHBondContact CA-O 3.36Å; V3067-T3188 PolarHBondContact N-O 3.21Å |
| 3189 | F | 93.4 | Very high | 88.7 | Confident | 12.5 Ų | 12.5 | 69.3 Ų | 69.3 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 141.3 | 170.1 | -75.9 | -73.2 | 0 | 0 | 0 | 109.2 | V3067 R3069 V3187 E3192 V3199 F3203 | V3067-F3189 HydrophobicContact CB-CD1 4.5Å; V3067-F3189 HydrophobicContact CB-CE1 4.49Å; V3067-F3189 CarbonylContact O-C 3.5Å; V3067-F3189 VanDerWaalsContact O-CA 3.25Å; V3067-F3189 WeakPolarHBondContact O-CA 3.35Å; R3069-F3189 HydrophobicContact CB-CD1 4.16Å; R3069-F3189 HydrophobicContact CB-CE1 4.23Å; R3069-F3189 HydrophobicContact CG-CD1 4.43Å; R3069-F3189 HydrophobicContact CG-CE1 4.24Å; R3069-F3189 VanDerWaalsContact NH1-CE2 3.31Å; V3187-F3189 HydrophobicContact CG1-CE2 4.34Å; F3189-E3192 HydrophobicContact CB-CB 3.77Å; F3189-E3192 HydrophobicContact CB-CG 4.32Å; F3189-V3199 HydrophobicContact CD2-CG1 3.64Å; F3189-V3199 HydrophobicContact CE2-CG1 3.81Å; F3189-F3203 HydrophobicContact CE2-CB 4.3Å; F3189-F3203 HydrophobicContact CZ-CB 3.96Å; F3189-F3203 HydrophobicContact CZ-CD2 4.37Å |
| 3190 | K | 90.5 | Very high | 89.5 | Confident | 80.5 Ų | 80.5 | 66.2 Ų | 66.2 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 141.9 | 170.1 | -67.1 | -165.7 | -174.6 | 164.4 | 0 | 109.9 | E3066 V3067 E3068 E3192 | E3066-K3190 HydrophobicContact CG-CG 4.38Å; E3066-K3190 WeakPolarHBondContact OE1-CE 3.37Å; E3066-K3190 IonicContact OE1-NZ 2.99Å; V3067-K3190 PolarHBondContact O-N 3.18Å; E3068-K3190 HydrophobicContact CG-CB 4.16Å; E3068-K3190 HydrophobicContact CG-CD 3.75Å; E3068-K3190 HydrophobicContact CG-CG 4.12Å; E3068-K3190 WeakPolarHBondContact OE1-CD 3.1Å; E3068-K3190 VanDerWaalsContact OE1-CE 3.29Å; E3068-K3190 WeakPolarHBondContact OE1-CE 3.27Å; E3068-K3190 IonicContact OE1-NZ 3.08Å; E3068-K3190 PolarHBondContact OE1-NZ 3.08Å; K3190-E3192 PolarHBondContact O-N 3.14Å |
| 3191 | D | 88.3 | Confident | 90.1 | Very high | 168.75 Ų | 168.75 | 68.6 Ų | 68.6 | 90% | 0.902 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 3 | 177.9 | -46.6 | -49.2 | 0 | 0 | 0 | 115.6 | ||
| 3192 | E | 89.3 | Confident | 90.6 | Very high | 72 Ų | 72 | 68.5 Ų | 68.5 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -114.7 | 114.4 | 175.4 | -74.1 | 179.8 | -161.9 | 0 | 0 | 110.9 | R3069 F3189 K3190 G3194 | R3069-E3192 WeakPolarHBondContact CD-OE1 3.35Å; R3069-E3192 WeakPolarHBondContact CD-OE2 3.31Å; R3069-E3192 WeakPolarHBondContact CG-OE1 3.26Å; R3069-E3192 IonicContact CZ-OE2 3.5Å; R3069-E3192 IonicContact NE-OE1 3.31Å; R3069-E3192 IonicContact NH1-OE1 3.3Å; R3069-E3192 IonicContact NH1-OE2 3.22Å; R3069-E3192 PolarHBondContact NH1-OE2 3.17Å; F3189-E3192 HydrophobicContact CB-CB 3.77Å; F3189-E3192 HydrophobicContact CB-CG 4.32Å; K3190-E3192 PolarHBondContact O-N 3.14Å; E3192-G3194 PolarHBondContact O-N 3.12Å; E3192-G3194 VanDerWaalsContact O-N 3.12Å |
| 3193 | P | 87.6 | Confident | 90.9 | Very high | 134.75 Ų | 134.75 | 67.8 Ų | 67.8 | 88% | 0.875 | 36% | 0.361 | S | S | * | . | trans | -73.6 | 115.4 | 178.2 | 28.9 | -33.5 | 0 | 0 | 0 | 111.6 | ||||
| 3194 | G | 86.1 | Confident | 91.2 | Very high | 38.25 Ų | 38.25 | 64.1 Ų | 64.1 | 39% | 0.394 | 35% | 0.348 | S | S | . | . | trans | -176.6 | 151.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E3192 | E3192-G3194 PolarHBondContact O-N 3.12Å; E3192-G3194 VanDerWaalsContact O-N 3.12Å | ||
| 3195 | E | 84.3 | Confident | 91.4 | Very high | 167.75 Ų | 167.75 | 58.4 Ų | 58.4 | 78% | 0.784 | 33% | 0.331 | S | S | * | . | trans | -141.4 | 170.7 | 171.6 | 65 | 158.6 | -176.9 | 0 | 0 | 113.2 | C3902 | E3195-C3902 PolarHBondContact O-SG 3.49Š| ||
| 3196 | G | 88.6 | Confident | 91.5 | Very high | 37.25 Ų | 37.25 | 57.3 Ų | 57.3 | 38% | 0.384 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | 91.3 | -166 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G3198 V3199 A3200 | G3196-G3198 VanDerWaalsContact C-N 3.29Å; G3196-G3198 PolarHBondContact O-N 3.19Å; G3196-V3199 PolarHBondContact O-N 3.1Å; G3196-V3199 VanDerWaalsContact O-N 3.16Å; G3196-A3200 PolarHBondContact O-N 3.02Å; G3196-A3200 VanDerWaalsContact O-N 3.11Å |
| 3197 | S | 89.9 | Confident | 91.6 | Very high | 67.25 Ų | 67.25 | 53.6 Ų | 53.6 | 47% | 0.47 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.2 | -17.3 | -173.1 | 61 | 0 | 0 | 0 | 0 | 114.1 | V3199 A3200 R3201 | S3197-V3199 VanDerWaalsContact C-N 3.34Å; S3197-A3200 PolarHBondContact O-N 3.07Å; S3197-R3201 WeakPolarHBondContact O-CG 3.32Å; S3197-R3201 PolarHBondContact O-N 3.11Å; S3197-R3201 PolarHBondContact O-NE 3.04Å; S3197-R3201 PolarHBondContact O-NH2 3.35Å; S3197-R3201 PolarHBondContact OG-NH2 3.4Å; S3197-R3201 VanDerWaalsContact OG-NH2 3.16Å |
| 3198 | G | 91.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -50.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G3196 A3200 R3201 S3202 S3869 C3902 | G3196-G3198 VanDerWaalsContact C-N 3.29Å; G3196-G3198 PolarHBondContact O-N 3.19Å; G3198-A3200 VanDerWaalsContact C-N 3.33Å; G3198-A3200 PolarHBondContact O-N 3.08Å; G3198-R3201 WeakPolarHBondContact O-CB 3.43Å; G3198-R3201 PolarHBondContact O-N 3.14Å; G3198-S3202 VanDerWaalsContact O-CB 3.3Å; G3198-S3202 WeakPolarHBondContact O-CB 3.36Å; G3198-S3202 PolarHBondContact O-N 3.28Å; G3198-S3869 VanDerWaalsContact CA-OG 3.28Å; G3198-S3869 WeakPolarHBondContact CA-OG 3.42Å; G3198-S3869 WeakPolarHBondContact O-CB 3.47Å; G3198-S3869 PolarHBondContact O-OG 3.3Å; G3198-C3902 PolarHBondContact N-SG 3.46Å |
| 3199 | V | 93.8 | Very high | 91.7 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.2 | -170 | 0 | 0 | 0 | 0 | 111.5 | V3187 F3189 G3196 S3197 R3201 S3202 F3203 | V3187-V3199 HydrophobicContact CB-CG1 4.23Å; V3187-V3199 VanDerWaalsContact O-CG1 3.31Å; V3187-V3199 WeakPolarHBondContact O-CG1 3.33Å; F3189-V3199 HydrophobicContact CD2-CG1 3.64Å; F3189-V3199 HydrophobicContact CE2-CG1 3.81Å; G3196-V3199 PolarHBondContact O-N 3.1Å; G3196-V3199 VanDerWaalsContact O-N 3.16Å; S3197-V3199 VanDerWaalsContact C-N 3.34Å; V3199-R3201 VanDerWaalsContact C-N 3.3Å; V3199-R3201 PolarHBondContact O-N 3.41Å; V3199-S3202 WeakPolarHBondContact O-CB 3.36Å; V3199-S3202 PolarHBondContact O-N 3.02Å; V3199-F3203 WeakPolarHBondContact O-CB 3.46Å; V3199-F3203 PolarHBondContact O-N 3.12Å |
| 3200 | A | 93.3 | Very high | 91.7 | Very high | 6.75 Ų | 6.75 | 56.6 Ų | 56.6 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | V3187 G3196 S3197 G3198 F3203 F3204 | V3187-A3200 HydrophobicContact CG2-CB 4.45Å; G3196-A3200 PolarHBondContact O-N 3.02Å; G3196-A3200 VanDerWaalsContact O-N 3.11Å; S3197-A3200 PolarHBondContact O-N 3.07Å; G3198-A3200 VanDerWaalsContact C-N 3.33Å; G3198-A3200 PolarHBondContact O-N 3.08Å; A3200-F3203 WeakPolarHBondContact O-CB 3.29Å; A3200-F3203 PolarHBondContact O-N 3.05Å; A3200-F3204 WeakPolarHBondContact O-CD2 3.4Å; A3200-F3204 WeakPolarHBondContact O-CE2 3.5Å; A3200-F3204 WeakPolarHBondContact O-CG 3.29Å; A3200-F3204 PolarHBondContact O-N 3.06Å |
| 3201 | R | 93.1 | Very high | 91.9 | Very high | 94.3333 Ų | 94.3333 | 54 Ų | 54 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 173.8 | -76.8 | 178.7 | -74.2 | 152.9 | -2.2 | 112.3 | S3197 G3198 V3199 F3203 F3204 T3205 E3653 T3868 S3869 T3901 S3904 | S3197-R3201 WeakPolarHBondContact O-CG 3.32Å; S3197-R3201 PolarHBondContact O-N 3.11Å; S3197-R3201 PolarHBondContact O-NE 3.04Å; S3197-R3201 PolarHBondContact O-NH2 3.35Å; S3197-R3201 PolarHBondContact OG-NH2 3.4Å; S3197-R3201 VanDerWaalsContact OG-NH2 3.16Å; G3198-R3201 WeakPolarHBondContact O-CB 3.43Å; G3198-R3201 PolarHBondContact O-N 3.14Å; V3199-R3201 VanDerWaalsContact C-N 3.3Å; V3199-R3201 PolarHBondContact O-N 3.41Å; R3201-F3203 VanDerWaalsContact C-N 3.28Å; R3201-F3203 PolarHBondContact O-N 3.21Å; R3201-F3204 PolarHBondContact O-N 3.33Å; R3201-F3204 VanDerWaalsContact O-N 3.13Å; R3201-T3205 WeakPolarHBondContact O-CB 3.27Å; R3201-T3205 PolarHBondContact O-N 3.13Å; R3201-T3205 PolarHBondContact O-OG1 3.03Å; R3201-E3653 WeakPolarHBondContact CD-OE2 3.26Å; R3201-E3653 HydrophobicContact CG-CB 4.4Å; R3201-E3653 HydrophobicContact CG-CG 4.4Å; R3201-E3653 WeakPolarHBondContact CG-OE2 3.47Å; R3201-E3653 IonicContact NE-OE2 2.94Å; R3201-T3868 PolarHBondContact NE-O 3.34Å; R3201-T3868 VanDerWaalsContact NE-O 3.13Å; R3201-T3868 PolarHBondContact NH1-O 3.23Å; R3201-S3869 CarbonylContact C-O 3.6Å; R3201-S3869 WeakPolarHBondContact CB-O 3.21Å; R3201-T3901 PolarHBondContact NH2-O 3.36Å; R3201-S3904 PolarHBondContact NH1-OG 3.38Å; R3201-S3904 PolarHBondContact NH2-OG 3.13Å |
| 3202 | S | 93.4 | Very high | 92.1 | Very high | 26.3333 Ų | 26.3333 | 48.7 Ų | 48.7 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.6 | -37.8 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | R3069 G3198 V3199 A3206 S3869 F3930 | R3069-S3202 PolarHBondContact NH1-OG 3.11Å; R3069-S3202 VanDerWaalsContact NH1-OG 3.16Å; R3069-S3202 PolarHBondContact NH2-O 2.81Å; R3069-S3202 PolarHBondContact NH2-OG 2.69Å; G3198-S3202 VanDerWaalsContact O-CB 3.3Å; G3198-S3202 WeakPolarHBondContact O-CB 3.36Å; G3198-S3202 PolarHBondContact O-N 3.28Å; V3199-S3202 WeakPolarHBondContact O-CB 3.36Å; V3199-S3202 PolarHBondContact O-N 3.02Å; S3202-A3206 VanDerWaalsContact O-CB 3.29Å; S3202-A3206 WeakPolarHBondContact O-CB 3.43Å; S3202-A3206 PolarHBondContact O-N 3.15Å; S3202-S3869 PolarHBondContact N-O 2.86Å; S3202-F3930 WeakPolarHBondContact OG-CE2 3.47Å; S3202-F3930 WeakPolarHBondContact OG-CZ 3.34Å |
| 3203 | F | 95 | Very high | 92.2 | Very high | 4.66667 Ų | 4.66667 | 47.2 Ų | 47.2 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -47 | 172.7 | 163.3 | -95.9 | 0 | 0 | 0 | 113.1 | L3065 V3067 L3074 T3078 V3187 F3189 V3199 A3200 R3201 T3205 A3206 F3207 | L3065-F3203 HydrophobicContact CD1-CE1 4.13Å; L3065-F3203 HydrophobicContact CD1-CE2 4.44Å; L3065-F3203 HydrophobicContact CD1-CZ 3.94Å; V3067-F3203 HydrophobicContact CG1-CD2 4.42Å; V3067-F3203 HydrophobicContact CG1-CE2 4.39Å; V3067-F3203 HydrophobicContact CG2-CD2 4.41Å; V3067-F3203 HydrophobicContact CG2-CE2 4.2Å; L3074-F3203 HydrophobicContact CD1-CD2 4.34Å; L3074-F3203 HydrophobicContact CD1-CE2 4.19Å; T3078-F3203 HydrophobicContact CG2-CE2 4.08Å; T3078-F3203 HydrophobicContact CG2-CZ 3.79Å; V3187-F3203 HydrophobicContact CB-CB 4.24Å; V3187-F3203 HydrophobicContact CB-CG 4.43Å; V3187-F3203 HydrophobicContact CG1-CB 3.89Å; V3187-F3203 HydrophobicContact CG1-CD2 3.98Å; V3187-F3203 HydrophobicContact CG1-CG 3.95Å; V3187-F3203 HydrophobicContact CG2-CB 4Å; V3187-F3203 HydrophobicContact CG2-CD1 3.91Å; V3187-F3203 HydrophobicContact CG2-CE1 4.48Å; V3187-F3203 HydrophobicContact CG2-CG 3.89Å; F3189-F3203 HydrophobicContact CE2-CB 4.3Å; F3189-F3203 HydrophobicContact CZ-CB 3.96Å; F3189-F3203 HydrophobicContact CZ-CD2 4.37Å; V3199-F3203 WeakPolarHBondContact O-CB 3.46Å; V3199-F3203 PolarHBondContact O-N 3.12Å; A3200-F3203 WeakPolarHBondContact O-CB 3.29Å; A3200-F3203 PolarHBondContact O-N 3.05Å; R3201-F3203 VanDerWaalsContact C-N 3.28Å; R3201-F3203 PolarHBondContact O-N 3.21Å; F3203-T3205 VanDerWaalsContact C-N 3.3Å; F3203-T3205 PolarHBondContact O-N 3.01Å; F3203-A3206 PolarHBondContact O-N 2.88Å; F3203-F3207 HydrophobicContact CE2-CB 4.38Å; F3203-F3207 HydrophobicContact CE2-CD2 4.48Å; F3203-F3207 HydrophobicContact CZ-CB 4.47Å; F3203-F3207 VanDerWaalsContact O-CB 3.24Å; F3203-F3207 WeakPolarHBondContact O-CB 3.39Å; F3203-F3207 PolarHBondContact O-N 3.09Å |
| 3204 | F | 95.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.7 | -69.6 | -56.5 | 0 | 0 | 0 | 111.7 | I3185 A3200 R3201 S3208 V3644 C3648 E3653 C3655 | I3185-F3204 HydrophobicContact CD1-CE1 4.35Å; I3185-F3204 HydrophobicContact CD1-CE2 4.47Å; I3185-F3204 HydrophobicContact CD1-CZ 3.83Å; A3200-F3204 WeakPolarHBondContact O-CD2 3.4Å; A3200-F3204 WeakPolarHBondContact O-CE2 3.5Å; A3200-F3204 WeakPolarHBondContact O-CG 3.29Å; A3200-F3204 PolarHBondContact O-N 3.06Å; R3201-F3204 PolarHBondContact O-N 3.33Å; R3201-F3204 VanDerWaalsContact O-N 3.13Å; F3204-S3208 VanDerWaalsContact O-CB 3.25Å; F3204-S3208 WeakPolarHBondContact O-CB 3.23Å; F3204-S3208 PolarHBondContact O-N 3.29Å; F3204-S3208 VanDerWaalsContact O-N 3.15Å; F3204-S3208 PolarHBondContact O-OG 3.24Å; F3204-V3644 HydrophobicContact CD1-CG1 3.74Å; F3204-V3644 HydrophobicContact CE1-CG1 3.84Å; F3204-C3648 HydrophobicContact CD1-CB 4.05Å; F3204-C3648 HydrophobicContact CE1-CB 3.69Å; F3204-C3648 HydrophobicContact CZ-CB 4.01Å; F3204-E3653 HydrophobicContact CD2-CB 3.94Å; F3204-E3653 HydrophobicContact CD2-CG 4.3Å; F3204-E3653 HydrophobicContact CE2-CB 3.92Å; F3204-E3653 HydrophobicContact CE2-CG 3.94Å; F3204-C3655 HydrophobicContact CB-CB 4.29Å |
| 3205 | T | 94.6 | Very high | 92.4 | Very high | 40.6667 Ų | 40.6667 | 49.4 Ų | 49.4 | 25% | 0.249 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -59.4 | 173.8 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | R3201 F3203 F3207 S3208 E3209 P3656 Y3865 S3869 P3871 | R3201-T3205 WeakPolarHBondContact O-CB 3.27Å; R3201-T3205 PolarHBondContact O-N 3.13Å; R3201-T3205 PolarHBondContact O-OG1 3.03Å; F3203-T3205 VanDerWaalsContact C-N 3.3Å; F3203-T3205 PolarHBondContact O-N 3.01Å; T3205-F3207 VanDerWaalsContact C-N 3.33Å; T3205-F3207 PolarHBondContact O-N 2.9Å; T3205-S3208 WeakPolarHBondContact O-CA 3.25Å; T3205-S3208 WeakPolarHBondContact O-CB 3.32Å; T3205-S3208 PolarHBondContact O-N 2.91Å; T3205-S3208 VanDerWaalsContact O-N 3.07Å; T3205-S3208 PolarHBondContact O-OG 3.45Å; T3205-E3209 HydrophobicContact CG2-CG 4.43Å; T3205-E3209 VanDerWaalsContact CG2-OE1 3.27Å; T3205-E3209 WeakPolarHBondContact CG2-OE1 3.49Å; T3205-E3209 WeakPolarHBondContact O-CG 3.32Å; T3205-E3209 PolarHBondContact O-N 3.11Å; T3205-P3656 HydrophobicContact CG2-CG 4.46Å; T3205-Y3865 HydrophobicContact CG2-CD2 4.25Å; T3205-Y3865 HydrophobicContact CG2-CE2 3.8Å; T3205-S3869 PolarHBondContact OG1-O 3.46Å; T3205-P3871 HydrophobicContact CG2-CG 4.13Å |
| 3206 | A | 94.1 | Very high | 92.6 | Very high | 10.6667 Ų | 10.6667 | 44.4 Ų | 44.4 | 9% | 0.088 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L3074 S3202 F3203 S3208 E3209 A3210 | L3074-A3206 HydrophobicContact CD2-CB 4.1Å; S3202-A3206 VanDerWaalsContact O-CB 3.29Å; S3202-A3206 WeakPolarHBondContact O-CB 3.43Å; S3202-A3206 PolarHBondContact O-N 3.15Å; F3203-A3206 PolarHBondContact O-N 2.88Å; A3206-S3208 VanDerWaalsContact C-N 3.31Å; A3206-S3208 PolarHBondContact O-N 2.93Å; A3206-E3209 PolarHBondContact O-N 3.31Å; A3206-A3210 WeakPolarHBondContact O-CB 3.42Å; A3206-A3210 PolarHBondContact O-N 3.28Å |
| 3207 | F | 95.3 | Very high | 92.6 | Very high | 18.6667 Ų | 18.6667 | 44.5 Ų | 44.5 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.4 | -177.4 | -91.8 | 0 | 0 | 0 | 111.6 | L3074 T3078 I3079 F3203 T3205 V3211 I3641 V3644 | L3074-F3207 HydrophobicContact CD1-CD2 4.37Å; L3074-F3207 HydrophobicContact CG-CD2 4.4Å; T3078-F3207 HydrophobicContact CG2-CD2 4.03Å; T3078-F3207 HydrophobicContact CG2-CE2 3.73Å; T3078-F3207 HydrophobicContact CG2-CZ 4.3Å; I3079-F3207 HydrophobicContact CD1-CE2 4.08Å; I3079-F3207 HydrophobicContact CD1-CZ 3.91Å; F3203-F3207 HydrophobicContact CE2-CB 4.38Å; F3203-F3207 HydrophobicContact CE2-CD2 4.48Å; F3203-F3207 HydrophobicContact CZ-CB 4.47Å; F3203-F3207 VanDerWaalsContact O-CB 3.24Å; F3203-F3207 WeakPolarHBondContact O-CB 3.39Å; F3203-F3207 PolarHBondContact O-N 3.09Å; T3205-F3207 VanDerWaalsContact C-N 3.33Å; T3205-F3207 PolarHBondContact O-N 2.9Å; F3207-V3211 HydrophobicContact CD1-CG2 4.33Å; F3207-V3211 HydrophobicContact CE1-CG2 3.96Å; F3207-V3211 HydrophobicContact CE2-CG2 4.3Å; F3207-V3211 HydrophobicContact CZ-CG2 3.94Å; F3207-V3211 VanDerWaalsContact O-CB 3.3Å; F3207-V3211 WeakPolarHBondContact O-CB 3.4Å; F3207-V3211 VanDerWaalsContact O-CG2 3.26Å; F3207-V3211 WeakPolarHBondContact O-CG2 3.35Å; F3207-V3211 PolarHBondContact O-N 3.27Å; F3207-V3211 VanDerWaalsContact O-N 3.13Å; F3207-I3641 HydrophobicContact CE1-CG1 4Å; F3207-I3641 HydrophobicContact CZ-CG1 4Å; F3207-V3644 HydrophobicContact CD1-CB 4.35Å; F3207-V3644 HydrophobicContact CD1-CG1 3.86Å; F3207-V3644 HydrophobicContact CD1-CG2 4.21Å; F3207-V3644 HydrophobicContact CE1-CB 4.01Å; F3207-V3644 HydrophobicContact CE1-CG1 4.03Å; F3207-V3644 HydrophobicContact CE1-CG2 3.76Å; F3207-V3644 HydrophobicContact CZ-CG2 3.95Å |
| 3208 | S | 94.8 | Very high | 92.4 | Very high | 17.6667 Ų | 17.6667 | 42.5 Ų | 42.5 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.3 | -47.9 | 174.8 | -24.9 | 0 | 0 | 0 | 0 | 111.4 | F3204 T3205 A3206 A3210 V3211 L3212 C3655 P3656 | F3204-S3208 VanDerWaalsContact O-CB 3.25Å; F3204-S3208 WeakPolarHBondContact O-CB 3.23Å; F3204-S3208 PolarHBondContact O-N 3.29Å; F3204-S3208 VanDerWaalsContact O-N 3.15Å; F3204-S3208 PolarHBondContact O-OG 3.24Å; T3205-S3208 WeakPolarHBondContact O-CA 3.25Å; T3205-S3208 WeakPolarHBondContact O-CB 3.32Å; T3205-S3208 PolarHBondContact O-N 2.91Å; T3205-S3208 VanDerWaalsContact O-N 3.07Å; T3205-S3208 PolarHBondContact O-OG 3.45Å; A3206-S3208 VanDerWaalsContact C-N 3.31Å; A3206-S3208 PolarHBondContact O-N 2.93Å; S3208-A3210 VanDerWaalsContact C-N 3.34Å; S3208-A3210 PolarHBondContact O-N 2.94Å; S3208-V3211 PolarHBondContact O-N 3.22Å; S3208-L3212 VanDerWaalsContact O-CB 3.27Å; S3208-L3212 WeakPolarHBondContact O-CB 3.4Å; S3208-L3212 VanDerWaalsContact O-CG 3.24Å; S3208-L3212 WeakPolarHBondContact O-CG 3.35Å; S3208-L3212 PolarHBondContact O-N 3Å; S3208-C3655 PolarHBondContact OG-SG 3.19Å; S3208-P3656 WeakPolarHBondContact OG-CD 3.44Å |
| 3209 | E | 93.8 | Very high | 92 | Very high | 113.333 Ų | 113.333 | 45.8 Ų | 45.8 | 53% | 0.53 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.2 | -68.6 | 170.2 | 163.6 | 0 | 0 | 111.6 | T3205 A3206 V3211 L3212 S3213 | T3205-E3209 HydrophobicContact CG2-CG 4.43Å; T3205-E3209 VanDerWaalsContact CG2-OE1 3.27Å; T3205-E3209 WeakPolarHBondContact CG2-OE1 3.49Å; T3205-E3209 WeakPolarHBondContact O-CG 3.32Å; T3205-E3209 PolarHBondContact O-N 3.11Å; A3206-E3209 PolarHBondContact O-N 3.31Å; E3209-V3211 VanDerWaalsContact C-N 3.31Å; E3209-V3211 PolarHBondContact O-N 3.25Å; E3209-L3212 PolarHBondContact O-N 3.17Å; E3209-S3213 WeakPolarHBondContact O-CB 3.48Å; E3209-S3213 PolarHBondContact O-N 3.1Å; E3209-S3213 VanDerWaalsContact O-N 3.08Å |
| 3210 | A | 93.5 | Very high | 91.6 | Very high | 6.66667 Ų | 6.66667 | 46.1 Ų | 46.1 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R3071 L3074 I3075 A3206 S3208 | R3071-A3210 HydrophobicContact CB-CB 4.38Å; R3071-A3210 HydrophobicContact CG-CB 3.89Å; R3071-A3210 PolarHBondContact NE-O 3.13Å; R3071-A3210 PolarHBondContact NH2-O 3.22Å; L3074-A3210 HydrophobicContact CD2-CB 3.94Å; L3074-A3210 HydrophobicContact CG-CB 4.46Å; I3075-A3210 HydrophobicContact CD1-CB 4.17Å; I3075-A3210 HydrophobicContact CG1-CB 4.1Å; A3206-A3210 WeakPolarHBondContact O-CB 3.42Å; A3206-A3210 PolarHBondContact O-N 3.28Å; S3208-A3210 VanDerWaalsContact C-N 3.34Å; S3208-A3210 PolarHBondContact O-N 2.94Å |
| 3211 | V | 93.5 | Very high | 90.8 | Very high | 25.3333 Ų | 25.3333 | 50.2 Ų | 50.2 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -83.6 | -28.8 | -177.4 | 168.1 | 0 | 0 | 0 | 0 | 113 | I3075 F3207 S3208 E3209 L3600 F3601 I3641 | I3075-V3211 HydrophobicContact CD1-CG2 4.29Å; I3075-V3211 HydrophobicContact CG1-CG2 4.14Å; F3207-V3211 HydrophobicContact CD1-CG2 4.33Å; F3207-V3211 HydrophobicContact CE1-CG2 3.96Å; F3207-V3211 HydrophobicContact CE2-CG2 4.3Å; F3207-V3211 HydrophobicContact CZ-CG2 3.94Å; F3207-V3211 VanDerWaalsContact O-CB 3.3Å; F3207-V3211 WeakPolarHBondContact O-CB 3.4Å; F3207-V3211 VanDerWaalsContact O-CG2 3.26Å; F3207-V3211 WeakPolarHBondContact O-CG2 3.35Å; F3207-V3211 PolarHBondContact O-N 3.27Å; F3207-V3211 VanDerWaalsContact O-N 3.13Å; S3208-V3211 PolarHBondContact O-N 3.22Å; E3209-V3211 VanDerWaalsContact C-N 3.31Å; E3209-V3211 PolarHBondContact O-N 3.25Å; V3211-L3600 HydrophobicContact CG1-CD1 4.25Å; V3211-F3601 HydrophobicContact CG1-CD2 3.81Å; V3211-F3601 HydrophobicContact CG1-CE2 3.52Å; V3211-I3641 HydrophobicContact CG1-CD1 3.56Å; V3211-I3641 HydrophobicContact CG1-CG1 4.08Å; V3211-I3641 HydrophobicContact CG2-CD1 4.47Å; V3211-I3641 HydrophobicContact CG2-CG1 4.46Å |
| 3212 | L | 93.6 | Very high | 89.9 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -87.1 | -13.5 | 177.4 | -65.4 | 176.2 | 0 | 0 | 0 | 113.7 | S3208 E3209 Q3214 F3601 Y3610 L3657 | S3208-L3212 VanDerWaalsContact O-CB 3.27Å; S3208-L3212 WeakPolarHBondContact O-CB 3.4Å; S3208-L3212 VanDerWaalsContact O-CG 3.24Å; S3208-L3212 WeakPolarHBondContact O-CG 3.35Å; S3208-L3212 PolarHBondContact O-N 3Å; E3209-L3212 PolarHBondContact O-N 3.17Å; L3212-Q3214 PolarHBondContact O-N 2.83Å; L3212-Q3214 PolarHBondContact O-NE2 3.28Å; L3212-F3601 HydrophobicContact CD2-CB 4.16Å; L3212-F3601 HydrophobicContact CD2-CD2 3.92Å; L3212-F3601 HydrophobicContact CD2-CG 4.18Å; L3212-Y3610 HydrophobicContact CB-CE1 3.93Å; L3212-Y3610 HydrophobicContact CB-CE2 4.36Å; L3212-Y3610 HydrophobicContact CD1-CD2 4.16Å; L3212-Y3610 HydrophobicContact CD1-CE2 3.83Å; L3212-Y3610 HydrophobicContact CD2-CD1 3.78Å; L3212-Y3610 HydrophobicContact CD2-CD2 3.9Å; L3212-Y3610 HydrophobicContact CD2-CE1 4.02Å; L3212-Y3610 HydrophobicContact CD2-CE2 4.15Å; L3212-Y3610 HydrophobicContact CD2-CG 3.68Å; L3212-Y3610 HydrophobicContact CG-CE1 4.44Å; L3212-Y3610 HydrophobicContact CG-CE2 4.34Å; L3212-L3657 HydrophobicContact CD1-CD2 4.07Å; L3212-L3657 HydrophobicContact CD2-CD2 4.01Å; L3212-L3657 HydrophobicContact CG-CD2 3.94Å |
| 3213 | S | 91.7 | Very high | 88.9 | Confident | 39.3333 Ų | 39.3333 | 51.1 Ų | 51.1 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | trans | -56.9 | 137.7 | 173.4 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | E3209 E3215 | E3209-S3213 WeakPolarHBondContact O-CB 3.48Å; E3209-S3213 PolarHBondContact O-N 3.1Å; E3209-S3213 VanDerWaalsContact O-N 3.08Å; S3213-E3215 PolarHBondContact O-N 3.33Å; S3213-E3215 PolarHBondContact OG-N 3.2Å | ||
| 3214 | Q | 88.9 | Confident | 87.6 | Confident | 111.333 Ų | 111.333 | 55.2 Ų | 55.2 | 52% | 0.52 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.3 | -0.1 | 178.3 | -59.7 | -86.5 | -47.1 | 0 | 0 | 113.5 | L3212 P3599 F3601 | L3212-Q3214 PolarHBondContact O-N 2.83Å; L3212-Q3214 PolarHBondContact O-NE2 3.28Å; Q3214-P3599 WeakPolarHBondContact O-CG 3.15Å; Q3214-F3601 PolarHBondContact NE2-O 2.8Å; Q3214-F3601 PolarHBondContact OE1-O 2.89Å |
| 3215 | E | 88.2 | Confident | 85.6 | Confident | 109.333 Ų | 109.333 | 59.7 Ų | 59.7 | 51% | 0.511 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -66.9 | 146.9 | 169.4 | -100.1 | 178 | -167.8 | 0 | 0 | 111.5 | R3071 S3213 | R3071-E3215 VanDerWaalsContact CD-OE2 3.28Å; R3071-E3215 WeakPolarHBondContact CD-OE2 3.45Å; R3071-E3215 IonicContact CZ-OE2 3.42Å; R3071-E3215 IonicContact NE-OE2 3.26Å; R3071-E3215 PolarHBondContact NH1-O 3.15Å; R3071-E3215 IonicContact NH1-OE1 2.65Å; R3071-E3215 IonicContact NH1-OE2 3.25Å; R3071-E3215 PolarHBondContact NH1-OE2 2.76Å; R3071-E3215 PolarHBondContact NH2-O 3.2Å; S3213-E3215 PolarHBondContact O-N 3.33Å; S3213-E3215 PolarHBondContact OG-N 3.2Å |
| 3216 | P | 88 | Confident | 83.2 | Confident | 62.6667 Ų | 62.6667 | 63.8 Ų | 63.8 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -56 | 154.2 | 173.9 | 23.7 | -34.6 | 0 | 0 | 0 | 113.4 | R3071 T3585 L3589 R3597 | R3071-P3216 PolarHBondContact NH1-O 2.91Å; R3071-P3216 PolarHBondContact NH2-O 3.12Å; P3216-T3585 HydrophobicContact CG-CG2 4.16Å; P3216-L3589 HydrophobicContact CB-CD1 3.44Å; P3216-L3589 HydrophobicContact CG-CD1 3.9Å; P3216-R3597 CarbonylContact C-O 3.53Å; P3216-R3597 WeakPolarHBondContact CA-O 3.37Å; P3216-R3597 WeakPolarHBondContact CB-O 3.25Å |
| 3217 | L | 88.6 | Confident | 80.5 | Confident | 38.6667 Ų | 38.6667 | 69.7 Ų | 69.7 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 146.6 | 178 | -67.5 | 173.8 | 0 | 0 | 0 | 112 | I3075 L3220 R3597 L3600 | I3075-L3217 HydrophobicContact CD1-CD2 4.29Å; L3217-L3220 HydrophobicContact CD1-CD2 4.44Å; L3217-R3597 HydrophobicContact CB-CB 4.29Å; L3217-R3597 HydrophobicContact CB-CG 4.49Å; L3217-R3597 PolarHBondContact N-O 2.89Å; L3217-R3597 PolarHBondContact O-NE 3.34Å; L3217-R3597 PolarHBondContact O-NH2 2.94Å; L3217-L3600 HydrophobicContact CD1-CD1 4.47Å; L3217-L3600 HydrophobicContact CD1-CD2 4.03Å; L3217-L3600 HydrophobicContact CD1-CG 4Å; L3217-L3600 HydrophobicContact CD2-CD1 3.84Å; L3217-L3600 HydrophobicContact CD2-CG 3.98Å; L3217-L3600 HydrophobicContact CG-CG 4.46Å |
| 3218 | P | 86.6 | Confident | 77.5 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 160.5 | 172.5 | 29.2 | -37.6 | 0 | 0 | 0 | 111.8 | I3075 L3076 L3220 | I3075-P3218 HydrophobicContact CB-CG 4.06Å; I3075-P3218 HydrophobicContact CD1-CG 4.2Å; I3075-P3218 HydrophobicContact CG2-CG 4.06Å; L3076-P3218 HydrophobicContact CD1-CB 3.89Å; L3076-P3218 HydrophobicContact CD1-CG 3.62Å; L3076-P3218 HydrophobicContact CD2-CG 4.12Å; L3076-P3218 HydrophobicContact CG-CB 4.35Å; L3076-P3218 HydrophobicContact CG-CG 3.87Å; P3218-L3220 WeakPolarHBondContact O-CD2 3.29Å; P3218-L3220 WeakPolarHBondContact O-CG 3.38Å; P3218-L3220 PolarHBondContact O-N 3.03Å; P3218-L3220 VanDerWaalsContact O-N 3.15Å |
| 3219 | N | 84.1 | Confident | 74.4 | Confident | 97.6667 Ų | 97.6667 | 77.7 Ų | 77.7 | 52% | 0.522 | 43% | 0.425 | S | S | . | . | trans | -59.3 | 103.3 | -175.8 | -104.4 | -52.2 | 0 | 0 | 0 | 112.6 | L3076 N3221 L3222 R3597 | L3076-N3219 WeakPolarHBondContact CD1-O 3.46Å; N3219-N3221 PolarHBondContact O-N 3.06Å; N3219-N3221 VanDerWaalsContact O-N 3.14Å; N3219-N3221 VanDerWaalsContact OD1-CB 3.22Å; N3219-N3221 WeakPolarHBondContact OD1-CB 3.23Å; N3219-N3221 PolarHBondContact OD1-N 3.17Å; N3219-N3221 PolarHBondContact OD1-ND2 3.32Å; N3219-L3222 PolarHBondContact O-N 3.2Å; N3219-R3597 VanDerWaalsContact OD1-CZ 3.29Å; N3219-R3597 PolarHBondContact OD1-NH1 2.76Å; N3219-R3597 PolarHBondContact OD1-NH2 2.82Å | ||
| 3220 | L | 84.4 | Confident | 71.6 | Confident | 26.3333 Ų | 26.3333 | 80.2 Ų | 80.2 | 14% | 0.138 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.3 | -174.2 | -59.7 | -179.8 | 0 | 0 | 0 | 114 | L3076 I3079 L3217 P3218 L3222 L3223 L3224 E3596 R3597 K3630 A3633 I3637 | L3076-L3220 HydrophobicContact CD2-CD2 4.14Å; I3079-L3220 HydrophobicContact CD1-CD2 4.41Å; L3217-L3220 HydrophobicContact CD1-CD2 4.44Å; P3218-L3220 WeakPolarHBondContact O-CD2 3.29Å; P3218-L3220 WeakPolarHBondContact O-CG 3.38Å; P3218-L3220 PolarHBondContact O-N 3.03Å; P3218-L3220 VanDerWaalsContact O-N 3.15Å; L3220-L3222 PolarHBondContact O-N 2.9Å; L3220-L3222 VanDerWaalsContact O-N 3.11Å; L3220-L3223 HydrophobicContact CB-CD1 4.26Å; L3220-L3223 HydrophobicContact CD2-CD1 4.05Å; L3220-L3223 VanDerWaalsContact O-CB 3.28Å; L3220-L3223 WeakPolarHBondContact O-CB 3.36Å; L3220-L3223 PolarHBondContact O-N 2.91Å; L3220-L3224 HydrophobicContact CB-CD1 4.43Å; L3220-L3224 VanDerWaalsContact O-CD1 3.26Å; L3220-L3224 WeakPolarHBondContact O-CD1 3.21Å; L3220-E3596 HydrophobicContact CD1-CB 4.2Å; L3220-R3597 HydrophobicContact CD1-CG 4.48Å; L3220-R3597 HydrophobicContact CG-CG 4.42Å; L3220-K3630 HydrophobicContact CD1-CB 4.16Å; L3220-A3633 HydrophobicContact CB-CB 4.18Å; L3220-A3633 HydrophobicContact CD1-CB 4.45Å; L3220-I3637 HydrophobicContact CD2-CD1 3.64Å |
| 3221 | N | 77.1 | Confident | 68.7 | Low | 92 Ų | 92 | 85.2 Ų | 85.2 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -53.5 | -26.2 | 178.8 | -73.3 | -26 | 0 | 0 | 0 | 114.2 | N3219 L3223 L3224 Q3225 | N3219-N3221 PolarHBondContact O-N 3.06Å; N3219-N3221 VanDerWaalsContact O-N 3.14Å; N3219-N3221 VanDerWaalsContact OD1-CB 3.22Å; N3219-N3221 WeakPolarHBondContact OD1-CB 3.23Å; N3219-N3221 PolarHBondContact OD1-N 3.17Å; N3219-N3221 PolarHBondContact OD1-ND2 3.32Å; N3221-L3223 VanDerWaalsContact C-N 3.27Å; N3221-L3223 PolarHBondContact O-N 3.29Å; N3221-L3224 WeakPolarHBondContact O-CB 3.25Å; N3221-L3224 PolarHBondContact O-N 2.98Å; N3221-L3224 VanDerWaalsContact O-N 3.11Å; N3221-Q3225 WeakPolarHBondContact O-CG 3.41Å; N3221-Q3225 PolarHBondContact O-N 3.13Å |
| 3222 | L | 73.3 | Confident | 65.7 | Low | 98.3333 Ų | 98.3333 | 92.5 Ų | 92.5 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -23.1 | 175.8 | -62.8 | 174.1 | 0 | 0 | 0 | 113.5 | L3076 K3080 N3219 L3220 L3224 | L3076-L3222 HydrophobicContact CD1-CB 4.21Å; L3076-L3222 HydrophobicContact CD1-CD1 4.04Å; K3080-L3222 PolarHBondContact NZ-O 3.17Å; N3219-L3222 PolarHBondContact O-N 3.2Å; L3220-L3222 PolarHBondContact O-N 2.9Å; L3220-L3222 VanDerWaalsContact O-N 3.11Å; L3222-L3224 VanDerWaalsContact C-N 3.33Å |
| 3223 | L | 72.5 | Confident | 62.8 | Low | 42.3333 Ų | 42.3333 | 93.3 Ų | 93.3 | 22% | 0.222 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -80.1 | -21.6 | 172.3 | -66.1 | 170.7 | 0 | 0 | 0 | 112.6 | L3076 I3079 K3080 L3220 N3221 A3633 I3637 | L3076-L3223 HydrophobicContact CD2-CD1 3.87Å; L3076-L3223 HydrophobicContact CD2-CD2 4.37Å; L3076-L3223 HydrophobicContact CD2-CG 4.01Å; L3076-L3223 WeakPolarHBondContact O-CD2 3.34Å; I3079-L3223 HydrophobicContact CB-CD1 4.07Å; I3079-L3223 HydrophobicContact CB-CD2 4.2Å; I3079-L3223 HydrophobicContact CD1-CD1 4.3Å; I3079-L3223 HydrophobicContact CG2-CD1 3.65Å; I3079-L3223 HydrophobicContact CG2-CD2 4.25Å; K3080-L3223 HydrophobicContact CB-CD2 4.11Å; L3220-L3223 HydrophobicContact CB-CD1 4.26Å; L3220-L3223 HydrophobicContact CD2-CD1 4.05Å; L3220-L3223 VanDerWaalsContact O-CB 3.28Å; L3220-L3223 WeakPolarHBondContact O-CB 3.36Å; L3220-L3223 PolarHBondContact O-N 2.91Å; N3221-L3223 VanDerWaalsContact C-N 3.27Å; N3221-L3223 PolarHBondContact O-N 3.29Å; L3223-A3633 HydrophobicContact CB-CB 4.48Å; L3223-I3637 HydrophobicContact CD1-CD1 3.9Å; L3223-I3637 HydrophobicContact CD1-CG1 3.73Å |
| 3224 | L | 67.4 | Low | 59.8 | Low | 89.6667 Ų | 89.6667 | 99.3 Ų | 99.3 | 47% | 0.469 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -88.1 | -27.6 | 178.2 | -72.2 | 97.8 | 0 | 0 | 0 | 112.2 | L3220 N3221 L3222 N3226 V3629 A3633 | L3220-L3224 HydrophobicContact CB-CD1 4.43Å; L3220-L3224 VanDerWaalsContact O-CD1 3.26Å; L3220-L3224 WeakPolarHBondContact O-CD1 3.21Å; N3221-L3224 WeakPolarHBondContact O-CB 3.25Å; N3221-L3224 PolarHBondContact O-N 2.98Å; N3221-L3224 VanDerWaalsContact O-N 3.11Å; L3222-L3224 VanDerWaalsContact C-N 3.33Å; L3224-N3226 PolarHBondContact O-N 3.11Å; L3224-V3629 HydrophobicContact CD2-CB 4.14Å; L3224-V3629 HydrophobicContact CD2-CG1 3.5Å; L3224-V3629 HydrophobicContact CG-CG1 3.84Å; L3224-A3633 HydrophobicContact CD1-CB 3.7Å |
| 3225 | Q | 53.6 | Low | 57.3 | Low | 130 Ų | 130 | 103.1 Ų | 103.1 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | trans | -76.1 | 96.6 | 176.9 | -72 | -173.1 | -1.3 | 0 | 0 | 111.5 | K3080 N3221 N3227 | K3080-Q3225 PolarHBondContact NZ-O 3.05Å; K3080-Q3225 VanDerWaalsContact NZ-O 3.09Å; N3221-Q3225 WeakPolarHBondContact O-CG 3.41Å; N3221-Q3225 PolarHBondContact O-N 3.13Å; Q3225-N3227 PolarHBondContact O-N 3.44Å | ||
| 3226 | N | 44.9 | Very low | 54.5 | Low | 126.667 Ų | 126.667 | 106.5 Ų | 106.5 | 68% | 0.677 | 60% | 0.598 | S | S | * | * | trans | -72.8 | 114.3 | 170.6 | -168.9 | 48.6 | 0 | 0 | 0 | 110 | L3224 S3228 | L3224-N3226 PolarHBondContact O-N 3.11Å; N3226-S3228 PolarHBondContact ND2-OG 3.44Å; N3226-S3228 VanDerWaalsContact ND2-OG 3.14Å; N3226-S3228 PolarHBondContact O-N 3.09Å; N3226-S3228 VanDerWaalsContact O-N 3.12Å; N3226-S3228 PolarHBondContact O-OG 3.21Å | ||
| 3227 | N | 36.4 | Very low | 51.8 | Low | 134 Ų | 134 | 108.9 Ų | 108.9 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | trans | -55.7 | 107.7 | -175 | -78.5 | 13.6 | 0 | 0 | 0 | 111.3 | K3080 Q3225 | K3080-N3227 WeakPolarHBondContact CE-OD1 3.14Å; K3080-N3227 PolarHBondContact NZ-OD1 2.9Å; Q3225-N3227 PolarHBondContact O-N 3.44Å | ||
| 3228 | S | 32.5 | Very low | 49 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | trans | -127.3 | 39 | -177.2 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | N3226 | N3226-S3228 PolarHBondContact ND2-OG 3.44Å; N3226-S3228 VanDerWaalsContact ND2-OG 3.14Å; N3226-S3228 PolarHBondContact O-N 3.09Å; N3226-S3228 VanDerWaalsContact O-N 3.12Å; N3226-S3228 PolarHBondContact O-OG 3.21Å | ||
| 3229 | S | 31 | Very low | 46.4 | Very low | 99.3333 Ų | 99.3333 | 121.9 Ų | 121.9 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | trans | -132.3 | 76.1 | -175.7 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3230 | N | 34 | Very low | 43.8 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 88% | 0.882 | 69% | 0.685 | S | S | * | * | trans | -174.5 | 121.5 | 147.7 | -97 | -18 | 0 | 0 | 0 | 111.7 | ||||
| 3231 | S | 32.6 | Very low | 41.2 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -164.7 | 139.6 | 171.9 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3232 | L | 30 | Very low | 38.9 | Very low | 177.667 Ų | 177.667 | 134.3 Ų | 134.3 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | trans | -126.4 | 139 | 164.2 | -90.6 | 64.3 | 0 | 0 | 0 | 110.3 | ||||
| 3233 | G | 32.3 | Very low | 36.9 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | trans | 142.2 | 119.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q3235 | G3233-Q3235 PolarHBondContact O-N 3.32Š| ||
| 3234 | N | 30.3 | Very low | 34.9 | Very low | 167.333 Ų | 167.333 | 141 Ų | 141 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | trans | -67.2 | 109.4 | 177 | -78.6 | -24.5 | 0 | 0 | 0 | 113 | ||||
| 3235 | Q | 34.9 | Very low | 33.3 | Very low | 189.333 Ų | 189.333 | 142.4 Ų | 142.4 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -159.9 | 137.1 | 142.3 | -92.1 | 171.2 | 70.3 | 0 | 0 | 111.4 | G3233 P3237 | G3233-Q3235 PolarHBondContact O-N 3.32Å; Q3235-P3237 WeakPolarHBondContact O-CD 3.42Å | ||
| 3236 | Q | 30.1 | Very low | 32 | Very low | 181.667 Ų | 181.667 | 147.6 Ų | 147.6 | 85% | 0.849 | 77% | 0.77 | S | S | * | * | trans | -77.4 | 137.7 | 175.1 | -75.1 | -178.1 | -36.4 | 0 | 0 | 110.7 | N3238 | Q3236-N3238 PolarHBondContact O-N 2.92Š| ||
| 3237 | P | 31.6 | Very low | 31.3 | Very low | 112.333 Ų | 112.333 | 146.3 Ų | 146.3 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | -117.9 | 148 | 123 | 34 | -26.2 | 0 | 0 | 0 | 113.7 | Q3235 F3239 | Q3235-P3237 WeakPolarHBondContact O-CD 3.42Å; P3237-F3239 PolarHBondContact O-N 2.95Å; P3237-F3239 VanDerWaalsContact O-N 3.08Å | |||
| 3238 | N | 29.6 | Very low | 31 | Very low | 148.333 Ų | 148.333 | 150.4 Ų | 150.4 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -66.9 | 121.2 | 178.2 | -70.4 | -54.9 | 0 | 0 | 0 | 112.5 | Q3236 H3240 | Q3236-N3238 PolarHBondContact O-N 2.92Å; N3238-H3240 PolarHBondContact O-N 3.37Å | ||
| 3239 | F | 31.1 | Very low | 30.9 | Very low | 188.333 Ų | 188.333 | 150.5 Ų | 150.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -105.8 | 138.7 | 154.6 | -81.9 | -77 | 0 | 0 | 0 | 110.5 | P3237 R3241 | P3237-F3239 PolarHBondContact O-N 2.95Å; P3237-F3239 VanDerWaalsContact O-N 3.08Å; F3239-R3241 PolarHBondContact O-N 2.95Å | ||
| 3240 | H | 30.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -76 | 122.9 | -171.1 | -105.4 | 32.4 | 0 | 0 | 0 | 112.2 | N3238 H3242 | N3238-H3240 PolarHBondContact O-N 3.37Å; H3240-H3242 AromaticContact CD2-CD2 3.82Å; H3240-H3242 AromaticContact CD2-NE2 4Å; H3240-H3242 PolarHBondContact O-N 3Å | ||
| 3241 | R | 29.4 | Very low | 30.9 | Very low | 188.667 Ų | 188.667 | 150.4 Ų | 150.4 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -72.5 | 112.3 | 168.9 | -75.1 | -172.6 | -179.8 | 175 | 1.8 | 110.9 | F3239 S3338 W3341 | F3239-R3241 PolarHBondContact O-N 2.95Å; R3241-S3338 VanDerWaalsContact CZ-OG 3.31Å; R3241-S3338 PolarHBondContact NH1-OG 2.83Å; R3241-S3338 PolarHBondContact NH2-OG 3Å; R3241-W3341 PolarHBondContact O-NE1 3.11Å | ||
| 3242 | H | 29.2 | Very low | 30.9 | Very low | 121.667 Ų | 121.667 | 151.1 Ų | 151.1 | 56% | 0.563 | 77% | 0.766 | S | S | * | * | trans | -126.9 | 82.4 | 155.1 | -85.2 | -80.4 | 0 | 0 | 0 | 111.3 | H3240 W3341 | H3240-H3242 AromaticContact CD2-CD2 3.82Å; H3240-H3242 AromaticContact CD2-NE2 4Å; H3240-H3242 PolarHBondContact O-N 3Å; H3242-W3341 AromaticContact CE1-CE2 3.94Å; H3242-W3341 AromaticContact CE1-NE1 3.71Å; H3242-W3341 AromaticContact ND1-CE2 3.76Å; H3242-W3341 AromaticContact ND1-CZ2 3.55Å; H3242-W3341 AromaticContact ND1-NE1 3.78Å | ||
| 3243 | Y | 30.7 | Very low | 31.1 | Very low | 183.667 Ų | 183.667 | 150.4 Ų | 150.4 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -139.7 | 111.7 | 168.9 | -65.4 | -76.1 | 0 | 0 | 0 | 110.6 | ||||
| 3244 | T | 32 | Very low | 31.2 | Very low | 98 Ų | 98 | 152.4 Ų | 152.4 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | -125 | 121.9 | 174.5 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | W3246 | T3244-W3246 PolarHBondContact O-N 3.27Š| ||
| 3245 | V | 32.1 | Very low | 31.5 | Very low | 118.667 Ų | 118.667 | 148.7 Ų | 148.7 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | -84.1 | 130.6 | 150.8 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | S3247 | V3245-S3247 VanDerWaalsContact C-N 3.34Å; V3245-S3247 PolarHBondContact O-N 3.3Å; V3245-S3247 VanDerWaalsContact O-N 3.1Å | ||
| 3246 | W | 27.8 | Very low | 31.7 | Very low | 238 Ų | 238 | 146.9 Ų | 146.9 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -110.2 | 81.4 | 161.6 | -89.2 | -3.6 | 0 | 0 | 0 | 110.4 | T3244 R3248 S3339 | T3244-W3246 PolarHBondContact O-N 3.27Å; W3246-R3248 PolarHBondContact O-N 3.46Å; W3246-S3339 WeakPolarHBondContact CZ2-OG 3.39Å | ||
| 3247 | S | 30 | Very low | 31.8 | Very low | 100.667 Ų | 100.667 | 149.1 Ų | 149.1 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | trans | -100 | 106.5 | 165.1 | 11.1 | 0 | 0 | 0 | 0 | 109.5 | V3245 S3249 | V3245-S3247 VanDerWaalsContact C-N 3.34Å; V3245-S3247 PolarHBondContact O-N 3.3Å; V3245-S3247 VanDerWaalsContact O-N 3.1Å; S3247-S3249 PolarHBondContact O-N 3Å | ||
| 3248 | R | 28.8 | Very low | 31.8 | Very low | 220.667 Ų | 220.667 | 148.6 Ų | 148.6 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 104.8 | 176 | -175.3 | -175.7 | -146.5 | -173 | -0.5 | 110.6 | W3246 Q3250 | W3246-R3248 PolarHBondContact O-N 3.46Å; R3248-Q3250 PolarHBondContact O-N 3.09Å |
| 3249 | S | 31 | Very low | 32 | Very low | 106.667 Ų | 106.667 | 147.9 Ų | 147.9 | 75% | 0.746 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 136.1 | 170.2 | 157 | 0 | 0 | 0 | 0 | 111.4 | S3247 | S3247-S3249 PolarHBondContact O-N 3Š|
| 3250 | Q | 32.1 | Very low | 32.2 | Very low | 158.333 Ų | 158.333 | 143.2 Ų | 143.2 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 124 | 165.5 | -79.7 | -179.7 | 22.9 | 0 | 0 | 109.6 | R3248 | R3248-Q3250 PolarHBondContact O-N 3.09Š|
| 3251 | S | 32.4 | Very low | 32.2 | Very low | 103.667 Ų | 103.667 | 141.4 Ų | 141.4 | 73% | 0.725 | 75% | 0.75 | S | S | * | * | trans | -115.7 | 134.5 | 169.2 | 139 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3252 | N | 32.9 | Very low | 32.4 | Very low | 127.667 Ų | 127.667 | 139.6 Ų | 139.6 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | trans | -154.4 | 121.9 | 141.7 | -83.5 | -23.9 | 0 | 0 | 0 | 112.5 | ||||
| 3253 | N | 33.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | -175.7 | 123.9 | 121.5 | -102.7 | -19 | 0 | 0 | 0 | 112.2 | |||||
| 3254 | P | 35.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -114.1 | 145.5 | -175.1 | 37.6 | -28.1 | 0 | 0 | 0 | 113.8 | ||||
| 3255 | A | 36.6 | Very low | 32.4 | Very low | 91.3333 Ų | 91.3333 | 138.9 Ų | 138.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -152.9 | 123.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3256 | N | 37.8 | Very low | 32.3 | Very low | 149.667 Ų | 149.667 | 139.1 Ų | 139.1 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 90 | 128.1 | 159.1 | -80.3 | -39.2 | 0 | 0 | 0 | 116.4 | ||||
| 3257 | R | 32.2 | Very low | 32.4 | Very low | 229.333 Ų | 229.333 | 133.5 Ų | 133.5 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | 86 | 144.9 | 51.9 | -122.6 | -179.8 | -179 | -177.5 | -0 | 113.2 | |||||
| 3258 | S | 33.3 | Very low | 32.4 | Very low | 101.333 Ų | 101.333 | 133.9 Ų | 133.9 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | 175.8 | 148.4 | 145.4 | -19.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3259 | T | 33.7 | Very low | 32.5 | Very low | 133.333 Ų | 133.333 | 128.2 Ų | 128.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -166.3 | 118.1 | 175.9 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3260 | A | 34.7 | Very low | 32.6 | Very low | 89.6667 Ų | 89.6667 | 129.7 Ų | 129.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | 160.9 | 129.5 | 87 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3261 | V | 31.1 | Very low | 32.5 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | 79.2 | 110.2 | 78 | 172.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 3262 | L | 31.9 | Very low | 32.5 | Very low | 151.667 Ų | 151.667 | 132.7 Ų | 132.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | 160.7 | 154.4 | 110.5 | -99.7 | 103.9 | 0 | 0 | 0 | 113.4 | |||||
| 3263 | V | 31.6 | Very low | 32.5 | Very low | 112.333 Ų | 112.333 | 131.1 Ų | 131.1 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | cis | 166.6 | 151.4 | -23.9 | 124.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3264 | Q | 30.8 | Very low | 32.5 | Very low | 170.333 Ų | 170.333 | 128.4 Ų | 128.4 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | -12.4 | 152.8 | 124.3 | -128.8 | 151.6 | -21.5 | 0 | 0 | 118.4 | |||||
| 3265 | S | 30.8 | Very low | 32.5 | Very low | 105.667 Ų | 105.667 | 130.9 Ų | 130.9 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | -166.6 | 164.1 | 141.4 | -55.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3266 | T | 30 | Very low | 32.4 | Very low | 122.333 Ų | 122.333 | 131 Ų | 131 | 75% | 0.751 | 75% | 0.747 | S | S | * | * | trans | -168.4 | 145 | 137 | 44.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 3267 | T | 29.2 | Very low | 32.2 | Very low | 120.667 Ų | 120.667 | 131 Ų | 131 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | 66.2 | 118.9 | 144.2 | 52.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 3268 | S | 30.1 | Very low | 32.3 | Very low | 108.667 Ų | 108.667 | 126.2 Ų | 126.2 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | 78.3 | 152.3 | 133.1 | 71.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 3269 | S | 31.5 | Very low | 32.4 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 104.8 | 151 | 171.9 | 60.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3270 | I | 31.6 | Very low | 32.5 | Very low | 139.667 Ų | 139.667 | 124.9 Ų | 124.9 | 72% | 0.716 | 74% | 0.739 | S | S | * | * | 81.1 | 129.1 | 107.1 | -80.4 | 166.6 | 0 | 0 | 0 | 114.9 | |||||
| 3271 | F | 31.4 | Very low | 32.6 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | 163.6 | 168.3 | 104.3 | -99.4 | -76.1 | 0 | 0 | 0 | 115.6 | |||||
| 3272 | L | 31.5 | Very low | 32.8 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | -85.5 | 148.2 | 172.4 | -117.4 | 56.8 | 0 | 0 | 0 | 115.2 | ||||
| 3273 | S | 33.7 | Very low | 33 | Very low | 95.3333 Ų | 95.3333 | 123.6 Ų | 123.6 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | -157.2 | 162.8 | 94 | 25.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3274 | T | 33.3 | Very low | 33.1 | Very low | 106.667 Ų | 106.667 | 123.3 Ų | 123.3 | 65% | 0.654 | 73% | 0.73 | S | S | * | * | cis | -163.7 | 166.5 | 39.7 | -36.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3275 | Q | 35.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -28 | 148.4 | 169.1 | -64.2 | 170.5 | 68.6 | 0 | 0 | 117.1 | ||||
| 3276 | S | 34.4 | Very low | 33.3 | Very low | 92.6667 Ų | 92.6667 | 123.5 Ų | 123.5 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | cis | -173.8 | 153.6 | 23.3 | 41.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3277 | I | 34.4 | Very low | 33.9 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | 86 | 139.9 | 75.7 | -64.5 | 168.9 | 0 | 0 | 0 | 113.6 | |||||
| 3278 | T | 33.3 | Very low | 34 | Very low | 128.667 Ų | 128.667 | 123.2 Ų | 123.2 | 79% | 0.789 | 73% | 0.73 | S | S | * | * | trans | -146 | 164.1 | 137.2 | 32.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3279 | S | 36.1 | Very low | 34.1 | Very low | 101.667 Ų | 101.667 | 123.9 Ų | 123.9 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | -160.2 | 169.6 | 5.4 | 16.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3280 | S | 35.5 | Very low | 34.1 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 13.8 | 143 | 168.2 | 61.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3281 | S | 35.9 | Very low | 34 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | 164.3 | 141.8 | 18.5 | 38 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3282 | S | 37 | Very low | 34 | Very low | 97.3333 Ų | 97.3333 | 119.8 Ų | 119.8 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | 169.9 | 142.9 | 57.7 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 3283 | N | 35.3 | Very low | 33.9 | Very low | 142 Ų | 142 | 117.6 Ų | 117.6 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 72.9 | 143 | 134.2 | -63.2 | -0.4 | 0 | 0 | 0 | 117.3 | ||||
| 3284 | T | 34 | Very low | 33.9 | Very low | 104.667 Ų | 104.667 | 120.3 Ų | 120.3 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | cis | -164.1 | 149.4 | -10.3 | 15.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3285 | H | 34.4 | Very low | 33.8 | Very low | 175.333 Ų | 175.333 | 122.2 Ų | 122.2 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | 58.7 | 141.4 | 154.5 | -61.5 | -50.1 | 0 | 0 | 0 | 120.3 | ||||
| 3286 | S | 31.2 | Very low | 33.7 | Very low | 105.667 Ų | 105.667 | 119.8 Ų | 119.8 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | cis | -173.7 | 177.7 | 43.7 | 35.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3287 | P | 42.8 | Very low | 33.6 | Very low | 110.667 Ų | 110.667 | 118.5 Ų | 118.5 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | -129 | -169.3 | -62.9 | 37.4 | -19.4 | 0 | 0 | 0 | 114.3 | |||||
| 3288 | T | 32 | Very low | 33.7 | Very low | 125.333 Ų | 125.333 | 119.3 Ų | 119.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 118.2 | 136.8 | 151.7 | -25.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 3289 | V | 30.2 | Very low | 33.7 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | 97.7 | 150.8 | 125.7 | 174.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 3290 | L | 31.6 | Very low | 33.8 | Very low | 142.333 Ų | 142.333 | 117 Ų | 117 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | trans | 111.2 | 170.3 | 170.3 | -83.4 | 172.4 | 0 | 0 | 0 | 114.4 | ||||
| 3291 | S | 31.1 | Very low | 33.9 | Very low | 95.3333 Ų | 95.3333 | 121.3 Ų | 121.3 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | -160.2 | 158.6 | -52 | 44.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 3292 | S | 30.6 | Very low | 33.9 | Very low | 95.3333 Ų | 95.3333 | 124.8 Ų | 124.8 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | -169.6 | 158.4 | 158.9 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3293 | S | 30 | Very low | 34.1 | Very low | 98.3333 Ų | 98.3333 | 124.8 Ų | 124.8 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | 106.9 | 123.5 | 54.9 | 20.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 3294 | L | 32.7 | Very low | 34.3 | Very low | 153.333 Ų | 153.333 | 124.5 Ų | 124.5 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | 123.4 | 117.6 | 125.5 | -76.3 | 166.7 | 0 | 0 | 0 | 113.3 | |||||
| 3295 | N | 31.8 | Very low | 34.5 | Very low | 145.667 Ų | 145.667 | 124.7 Ų | 124.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | 90.3 | 138.1 | 104.2 | -81.7 | -11.9 | 0 | 0 | 0 | 118 | |||||
| 3296 | S | 32.4 | Very low | 34.5 | Very low | 117.333 Ų | 117.333 | 124 Ų | 124 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | -163.3 | 146.7 | 120.6 | 55.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 3297 | G | 33.2 | Very low | 34.9 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 138.6 | 135.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3298 | L | 35.5 | Very low | 34.5 | Very low | 165.667 Ų | 165.667 | 124.8 Ų | 124.8 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | cis | -146.1 | 137.4 | 28.3 | -98.6 | 82 | 0 | 0 | 0 | 113.4 | ||||
| 3299 | S | 35.1 | Very low | 34.9 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 78.1 | 131.6 | 84.7 | 63.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 3300 | G | 36.4 | Very low | 35 | Very low | 72.3333 Ų | 72.3333 | 124.1 Ų | 124.1 | 75% | 0.746 | 76% | 0.76 | S | S | * | * | trans | 169.2 | 113.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3301 | H | 37.9 | Very low | 35 | Very low | 196.667 Ų | 196.667 | 123.1 Ų | 123.1 | 91% | 0.91 | 76% | 0.76 | S | S | * | * | trans | 46.7 | 159.8 | 162.4 | -72 | -30.3 | 0 | 0 | 0 | 122 | ||||
| 3302 | Q | 37.4 | Very low | 35.1 | Very low | 175.667 Ų | 175.667 | 125.5 Ų | 125.5 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | -149.4 | -166.8 | -65.2 | -136.6 | -150.1 | 6.4 | 0 | 0 | 109.7 | |||||
| 3303 | P | 40.8 | Very low | 35 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | -107 | 174.6 | -129.5 | 40.8 | -26.9 | 0 | 0 | 0 | 116.4 | |||||
| 3304 | V | 38.5 | Very low | 34.8 | Very low | 136.333 Ų | 136.333 | 130 Ų | 130 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | 154.5 | 147.6 | 118.2 | 148.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 3305 | P | 39.2 | Very low | 34.5 | Very low | 107.333 Ų | 107.333 | 128.1 Ų | 128.1 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -132 | 170.3 | 176.7 | 38.7 | -22.1 | 0 | 0 | 0 | 118.4 | ||||
| 3306 | L | 34.8 | Very low | 34.4 | Very low | 162.333 Ų | 162.333 | 128.6 Ų | 128.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 167 | 149 | 146.3 | -119.4 | 66.7 | 0 | 0 | 0 | 117.8 | ||||
| 3307 | S | 38 | Very low | 34 | Very low | 99.3333 Ų | 99.3333 | 127.4 Ų | 127.4 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | 72.5 | 130.8 | 128.5 | 49.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 3308 | T | 36.3 | Very low | 33.8 | Very low | 132.333 Ų | 132.333 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -119.6 | 175.8 | 114.9 | 43.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 3309 | P | 38.8 | Very low | 33.4 | Very low | 103.667 Ų | 103.667 | 130.3 Ų | 130.3 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | -136.9 | 167.3 | -53 | 40.8 | -24.9 | 0 | 0 | 0 | 117.7 | |||||
| 3310 | T | 32.3 | Very low | 33.3 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 114.2 | 133.1 | 149.9 | 45.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3311 | T | 32.4 | Very low | 33 | Very low | 121.667 Ų | 121.667 | 137.5 Ų | 137.5 | 75% | 0.746 | 77% | 0.773 | S | S | * | * | -174.7 | 141 | 110.4 | -24.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 3312 | I | 32.3 | Very low | 32.6 | Very low | 145.667 Ų | 145.667 | 136.6 Ų | 136.6 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | 62.4 | 104.4 | 123.3 | -60.5 | 170.6 | 0 | 0 | 0 | 116.3 | |||||
| 3313 | Q | 28.6 | Very low | 32.3 | Very low | 183.333 Ų | 183.333 | 135 Ų | 135 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | 66 | 120.1 | 134 | -95.8 | 176 | -40.4 | 0 | 0 | 117 | ||||
| 3314 | S | 26.6 | Very low | 31.7 | Very low | 106.333 Ų | 106.333 | 138.7 Ų | 138.7 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | -156.7 | 129.8 | 128.3 | 30.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 3315 | S | 26.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 155.5 | 131.4 | 160.9 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3316 | I | 29.1 | Very low | 30.9 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | cis | 109.2 | 123.5 | 43.5 | -63.7 | 171.2 | 0 | 0 | 0 | 111.9 | F3318 | I3316-F3318 HydrophobicContact CG2-CD2 4.48Š| ||
| 3317 | S | 24.9 | Very low | 30.5 | Very low | 93.3333 Ų | 93.3333 | 141.1 Ų | 141.1 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | trans | -132.8 | 123.7 | 161.9 | -168.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3318 | F | 27.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | -168.5 | 130.8 | 127.5 | -82.7 | -74.4 | 0 | 0 | 0 | 114.2 | I3316 | I3316-F3318 HydrophobicContact CG2-CD2 4.48Š| |||
| 3319 | C | 27.3 | Very low | 29.7 | Very low | 103 Ų | 103 | 140 Ų | 140 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | -105.5 | 152.1 | 147.1 | -65.6 | 0 | 0 | 0 | 0 | 112 | Y3321 | C3319-Y3321 HydrophobicContact CB-CD2 4.16Š| ||
| 3320 | P | 33.9 | Very low | 29.3 | Very low | 128.333 Ų | 128.333 | 142.2 Ų | 142.2 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | -127 | 171.2 | 100.5 | 37.6 | -24.4 | 0 | 0 | 0 | 114.3 | Q3322 | P3320-Q3322 PolarHBondContact O-N 3.29Š| |||
| 3321 | Y | 28.8 | Very low | 29.1 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | -85.4 | 152.7 | -168.5 | -105 | -105.6 | 0 | 0 | 0 | 114.3 | C3319 I3323 | C3319-Y3321 HydrophobicContact CB-CD2 4.16Å; Y3321-I3323 HydrophobicContact CD1-CD1 4.01Å; Y3321-I3323 HydrophobicContact CD1-CG1 4.31Å; Y3321-I3323 PolarHBondContact O-N 3.29Å | ||
| 3322 | Q | 29.7 | Very low | 28.9 | Very low | 176.333 Ų | 176.333 | 142.3 Ų | 142.3 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | -147.5 | 140.6 | 117.7 | -146.8 | 178.5 | -36.9 | 0 | 0 | 111.4 | P3320 | P3320-Q3322 PolarHBondContact O-N 3.29Š| |||
| 3323 | I | 30.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 124.6 | 131.2 | 132.9 | -59.8 | 176.3 | 0 | 0 | 0 | 112.2 | Y3321 | Y3321-I3323 HydrophobicContact CD1-CD1 4.01Å; Y3321-I3323 HydrophobicContact CD1-CG1 4.31Å; Y3321-I3323 PolarHBondContact O-N 3.29Å | ||
| 3324 | Q | 28.4 | Very low | 28.8 | Very low | 175.333 Ų | 175.333 | 135.2 Ų | 135.2 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | trans | -122.2 | -160.1 | 143 | -82.3 | 175.5 | -10.1 | 0 | 0 | 109.9 | ||||
| 3325 | P | 34.9 | Very low | 29 | Very low | 106.667 Ų | 106.667 | 141 Ų | 141 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | -136.1 | -168.5 | -80.7 | 40.4 | -19.5 | 0 | 0 | 0 | 117 | |||||
| 3326 | R | 27 | Very low | 29.1 | Very low | 219.667 Ų | 219.667 | 138.7 Ų | 138.7 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | 87.1 | 119.5 | 152.6 | -83.2 | -178.6 | 171.5 | 170.2 | -2.2 | 121.4 | ||||
| 3327 | L | 26.9 | Very low | 29.1 | Very low | 130.333 Ų | 130.333 | 142.7 Ų | 142.7 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | 64.9 | 127.3 | 134 | -66 | 168.6 | 0 | 0 | 0 | 119.8 | ||||
| 3328 | H | 30.2 | Very low | 29.4 | Very low | 144.333 Ų | 144.333 | 141.8 Ų | 141.8 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | -176.9 | 140.2 | 111.1 | -102.5 | -72.2 | 0 | 0 | 0 | 113.6 | S3171 F3330 | S3171-H3328 PolarHBondContact OG-CE1 2.86Å; S3171-H3328 PolarHBondContact OG-ND1 3.09Å; H3328-F3330 HydrophobicContact CB-CD2 4.44Å; H3328-F3330 HydrophobicContact CB-CE2 3.77Å; H3328-F3330 HydrophobicContact CB-CZ 4.26Å; H3328-F3330 AromaticContact ND1-CZ 3.9Å | |||
| 3329 | T | 26.6 | Very low | 29.6 | Very low | 63.6667 Ų | 63.6667 | 136.3 Ų | 136.3 | 39% | 0.391 | 71% | 0.713 | S | S | . | * | -135.9 | 137.2 | 103.9 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | V3167 T3168 N3170 S3171 | V3167-T3329 HydrophobicContact CB-CG2 4.26Å; V3167-T3329 HydrophobicContact CG2-CG2 4.33Å; T3168-T3329 WeakPolarHBondContact O-CB 3.43Å; T3168-T3329 WeakPolarHBondContact O-CG2 3.24Å; T3168-T3329 PolarHBondContact O-OG1 3.39Å; N3170-T3329 PolarHBondContact N-OG1 3.41Å; S3171-T3329 WeakPolarHBondContact CB-O 3.35Å; S3171-T3329 PolarHBondContact N-OG1 2.89Å; S3171-T3329 VanDerWaalsContact N-OG1 3.12Å | |||
| 3330 | F | 30 | Very low | 29.7 | Very low | 150.667 Ų | 150.667 | 135.2 Ų | 135.2 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | trans | -128.1 | 168.1 | 130.9 | -72 | -64 | 0 | 0 | 0 | 113.3 | H3328 R3335 R3337 | H3328-F3330 HydrophobicContact CB-CD2 4.44Å; H3328-F3330 HydrophobicContact CB-CE2 3.77Å; H3328-F3330 HydrophobicContact CB-CZ 4.26Å; H3328-F3330 AromaticContact ND1-CZ 3.9Å; F3330-R3335 WeakPolarHBondContact CD1-O 3.46Å; F3330-R3335 WeakPolarHBondContact CE1-O 3.33Å; F3330-R3337 HydrophobicContact CE1-CB 3.99Å; F3330-R3337 HydrophobicContact CE1-CG 4.2Å; F3330-R3337 HydrophobicContact CE2-CB 3.98Å; F3330-R3337 HydrophobicContact CE2-CG 4.03Å; F3330-R3337 HydrophobicContact CZ-CB 3.66Å; F3330-R3337 HydrophobicContact CZ-CG 3.54Å | ||
| 3331 | T | 28 | Very low | 29.6 | Very low | 90.6667 Ų | 90.6667 | 137 Ų | 137 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | cis | 174.1 | 138.2 | -15.2 | -20.5 | 0 | 0 | 0 | 0 | 113.1 | G3333 S3334 R3335 | T3331-G3333 CarbonylContact C-O 3.25Å; T3331-S3334 WeakPolarHBondContact CB-O 3.26Å; T3331-S3334 WeakPolarHBondContact CG2-O 3.41Å; T3331-S3334 CarbonylContact O-C 3.55Å; T3331-S3334 VanDerWaalsContact O-C 3.25Å; T3331-R3335 PolarHBondContact O-N 3.45Å | ||
| 3332 | I | 29.6 | Very low | 29.9 | Very low | 164.333 Ų | 164.333 | 137 Ų | 137 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | 90.8 | 128.5 | 159.9 | -56.6 | 170.7 | 0 | 0 | 0 | 113.4 | ||||
| 3333 | G | 28.3 | Very low | 30.1 | Very low | 65.6667 Ų | 65.6667 | 139.7 Ų | 139.7 | 68% | 0.677 | 70% | 0.702 | S | S | * | * | 152.9 | 95.6 | 127 | 0 | 0 | 0 | 0 | 0 | 118.5 | T3331 R3335 | T3331-G3333 CarbonylContact C-O 3.25Å; G3333-R3335 PolarHBondContact O-N 2.58Å | |||
| 3334 | S | 29.6 | Very low | 30.5 | Very low | 113.333 Ų | 113.333 | 137.1 Ų | 137.1 | 79% | 0.793 | 70% | 0.697 | S | S | * | * | trans | 30.8 | 101.7 | 166.1 | -89.3 | 0 | 0 | 0 | 0 | 117.4 | T3331 | T3331-S3334 WeakPolarHBondContact CB-O 3.26Å; T3331-S3334 WeakPolarHBondContact CG2-O 3.41Å; T3331-S3334 CarbonylContact O-C 3.55Å; T3331-S3334 VanDerWaalsContact O-C 3.25Å | ||
| 3335 | R | 30.2 | Very low | 31.6 | Very low | 229.333 Ų | 229.333 | 129.8 Ų | 129.8 | 87% | 0.865 | 67% | 0.669 | S | S | * | * | 179.8 | 124.4 | 102.5 | -74.2 | 170.2 | 175.6 | -176.1 | -2.1 | 114.7 | F3330 T3331 G3333 R3337 | F3330-R3335 WeakPolarHBondContact CD1-O 3.46Å; F3330-R3335 WeakPolarHBondContact CE1-O 3.33Å; T3331-R3335 PolarHBondContact O-N 3.45Å; G3333-R3335 PolarHBondContact O-N 2.58Å; R3335-R3337 PolarHBondContact O-N 2.92Å; R3335-R3337 VanDerWaalsContact O-N 3.12Å | |||
| 3336 | G | 29.1 | Very low | 33 | Very low | 63.3333 Ų | 63.3333 | 127.9 Ų | 127.9 | 65% | 0.653 | 67% | 0.669 | S | S | * | * | trans | -33 | 112.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S3338 | G3336-S3338 VanDerWaalsContact C-N 3.27Å; G3336-S3338 PolarHBondContact O-N 3.39Å; G3336-S3338 PolarHBondContact O-OG 3.49Å | ||
| 3337 | R | 28.8 | Very low | 35.5 | Very low | 240 Ų | 240 | 118.4 Ų | 118.4 | 91% | 0.906 | 63% | 0.634 | S | S | * | * | trans | -72.1 | 104.8 | -178 | -106.2 | -176.4 | 172.3 | -159.5 | -0.1 | 111.9 | F3330 R3335 S3339 | F3330-R3337 HydrophobicContact CE1-CB 3.99Å; F3330-R3337 HydrophobicContact CE1-CG 4.2Å; F3330-R3337 HydrophobicContact CE2-CB 3.98Å; F3330-R3337 HydrophobicContact CE2-CG 4.03Å; F3330-R3337 HydrophobicContact CZ-CB 3.66Å; F3330-R3337 HydrophobicContact CZ-CG 3.54Å; R3335-R3337 PolarHBondContact O-N 2.92Å; R3335-R3337 VanDerWaalsContact O-N 3.12Å; R3337-S3339 PolarHBondContact O-N 3.31Å | ||
| 3338 | S | 32.1 | Very low | 38 | Very low | 73.6667 Ų | 73.6667 | 114 Ų | 114 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | trans | -110.6 | 136.4 | 174.8 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | R3241 G3336 R3342 | R3241-S3338 VanDerWaalsContact CZ-OG 3.31Å; R3241-S3338 PolarHBondContact NH1-OG 2.83Å; R3241-S3338 PolarHBondContact NH2-OG 3Å; G3336-S3338 VanDerWaalsContact C-N 3.27Å; G3336-S3338 PolarHBondContact O-N 3.39Å; G3336-S3338 PolarHBondContact O-OG 3.49Å; S3338-R3342 VanDerWaalsContact CB-CG 3.42Å | ||
| 3339 | S | 31.5 | Very low | 40.2 | Very low | 75 Ų | 75 | 109.4 Ų | 109.4 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | trans | -35.5 | 140.6 | 177.3 | 42.5 | 0 | 0 | 0 | 0 | 112.4 | W3246 R3337 W3341 | W3246-S3339 WeakPolarHBondContact CZ2-OG 3.39Å; R3337-S3339 PolarHBondContact O-N 3.31Å; S3339-W3341 VanDerWaalsContact C-N 3.31Å; S3339-W3341 PolarHBondContact O-N 3.23Å | ||
| 3340 | A | 30.1 | Very low | 42.7 | Very low | 79.6667 Ų | 79.6667 | 113.3 Ų | 113.3 | 66% | 0.658 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.1 | 6.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | R3342 R3343 | A3340-R3342 PolarHBondContact O-N 3.09Å; A3340-R3343 PolarHBondContact O-N 3.26Å |
| 3341 | W | 32.3 | Very low | 45.1 | Very low | 165.667 Ų | 165.667 | 106.4 Ų | 106.4 | 63% | 0.628 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -10.9 | -178.1 | -74.6 | 88.7 | 0 | 0 | 0 | 115.3 | R3241 H3242 S3339 R3343 S3344 | R3241-W3341 PolarHBondContact O-NE1 3.11Å; H3242-W3341 AromaticContact CE1-CE2 3.94Å; H3242-W3341 AromaticContact CE1-NE1 3.71Å; H3242-W3341 AromaticContact ND1-CE2 3.76Å; H3242-W3341 AromaticContact ND1-CZ2 3.55Å; H3242-W3341 AromaticContact ND1-NE1 3.78Å; S3339-W3341 VanDerWaalsContact C-N 3.31Å; S3339-W3341 PolarHBondContact O-N 3.23Å; W3341-R3343 PolarHBondContact O-N 3.22Å; W3341-S3344 PolarHBondContact O-N 3.3Å |
| 3342 | R | 34.5 | Very low | 47.7 | Very low | 207.333 Ų | 207.333 | 106.6 Ų | 106.6 | 78% | 0.782 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 41.9 | 169 | -72 | -137.6 | -161.2 | -102.4 | 3.4 | 113.5 | S3338 A3340 | S3338-R3342 VanDerWaalsContact CB-CG 3.42Å; A3340-R3342 PolarHBondContact O-N 3.09Å |
| 3343 | R | 34.3 | Very low | 50.4 | Low | 231 Ų | 231 | 101.8 Ų | 101.8 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 14.8 | 170.4 | -69.4 | -169.4 | -177.9 | -85.1 | 4 | 113.3 | A3340 W3341 | A3340-R3343 PolarHBondContact O-N 3.26Å; W3341-R3343 PolarHBondContact O-N 3.22Å |
| 3344 | S | 37.7 | Very low | 53.3 | Low | 90 Ų | 90 | 100.4 Ų | 100.4 | 63% | 0.629 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -135.2 | 135.8 | 166.8 | -59.6 | 0 | 0 | 0 | 0 | 107.6 | W3341 G3346 | W3341-S3344 PolarHBondContact O-N 3.3Å; S3344-G3346 VanDerWaalsContact C-N 3.32Å; S3344-G3346 PolarHBondContact O-N 3.17Å; S3344-G3346 VanDerWaalsContact O-N 3.14Å |
| 3345 | G | 52 | Low | 55.8 | Low | 22.3333 Ų | 22.3333 | 97.9 Ų | 97.9 | 23% | 0.23 | 52% | 0.517 | C | S | . | . | trans | -39.9 | 93.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R3520 | G3345-R3520 VanDerWaalsContact O-CZ 3.25Å; G3345-R3520 PolarHBondContact O-NH1 3.23Å; G3345-R3520 PolarHBondContact O-NH2 3.19Å | ||
| 3346 | G | 64.1 | Low | 58 | Low | 65.6667 Ų | 65.6667 | 88.3 Ų | 88.3 | 68% | 0.677 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -86 | 138.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S3344 | S3344-G3346 VanDerWaalsContact C-N 3.32Å; S3344-G3346 PolarHBondContact O-N 3.17Å; S3344-G3346 VanDerWaalsContact O-N 3.14Å |
| 3347 | L | 78.7 | Confident | 59.5 | Low | 20 Ų | 20 | 89 Ų | 89 | 11% | 0.105 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 142 | -178.7 | -60.6 | 170.6 | 0 | 0 | 0 | 111.6 | M3498 L3499 L3502 E3523 A3524 L3527 | L3347-M3498 HydrophobicContact CB-CB 4.49Å; L3347-M3498 HydrophobicContact CB-CE 3.9Å; L3347-M3498 HydrophobicContact CD2-CB 4.48Å; L3347-L3499 HydrophobicContact CD1-CD2 4.35Å; L3347-L3499 HydrophobicContact CD2-CD2 4Å; L3347-L3502 HydrophobicContact CD2-CD1 4Å; L3347-L3502 HydrophobicContact CD2-CD2 3.84Å; L3347-L3502 HydrophobicContact CD2-CG 3.87Å; L3347-E3523 HydrophobicContact CD1-CB 4.17Å; L3347-E3523 HydrophobicContact CD1-CG 4Å; L3347-A3524 HydrophobicContact CD1-CB 3.75Å; L3347-L3527 HydrophobicContact CB-CD1 3.85Å; L3347-L3527 HydrophobicContact CD1-CD1 4.5Å |
| 3348 | S | 79.7 | Confident | 60.6 | Low | 37.6667 Ų | 37.6667 | 81.9 Ų | 81.9 | 26% | 0.263 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 124.6 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | N3350 A3351 M3498 E3501 | S3348-N3350 PolarHBondContact O-N 2.89Å; S3348-N3350 VanDerWaalsContact O-N 3.17Å; S3348-N3350 PolarHBondContact OG-N 2.94Å; S3348-A3351 WeakPolarHBondContact O-CB 3.1Å; S3348-A3351 PolarHBondContact O-N 3.14Å; S3348-M3498 WeakPolarHBondContact O-CG 3.26Å; S3348-E3501 VanDerWaalsContact CB-OE2 3.26Å; S3348-E3501 WeakPolarHBondContact CB-OE2 3.36Å |
| 3349 | T | 77.4 | Confident | 61.3 | Low | 49.3333 Ų | 49.3333 | 79.7 Ų | 79.7 | 30% | 0.303 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.6 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | M3498 L3527 S3531 | T3349-M3498 HydrophobicContact CG2-CE 4.45Å; T3349-L3527 HydrophobicContact CG2-CB 3.92Å; T3349-S3531 WeakPolarHBondContact CB-OG 3.48Å; T3349-S3531 WeakPolarHBondContact CG2-OG 3.41Å |
| 3350 | N | 78.1 | Confident | 61.8 | Low | 143.667 Ų | 143.667 | 81.4 Ų | 81.4 | 77% | 0.768 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6 | 178.8 | -64.3 | -22.1 | 0 | 0 | 0 | 113.3 | S3348 | S3348-N3350 PolarHBondContact O-N 2.89Å; S3348-N3350 VanDerWaalsContact O-N 3.17Å; S3348-N3350 PolarHBondContact OG-N 2.94Å |
| 3351 | A | 81.6 | Confident | 62.1 | Low | 6.66667 Ų | 6.66667 | 81.6 Ų | 81.6 | 6% | 0.055 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 134.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S3348 M3498 E3501 | S3348-A3351 WeakPolarHBondContact O-CB 3.1Å; S3348-A3351 PolarHBondContact O-N 3.14Å; A3351-M3498 HydrophobicContact CB-CB 4.41Å; A3351-M3498 HydrophobicContact CB-CG 4.01Å; A3351-E3501 WeakPolarHBondContact CA-OE1 3.41Å; A3351-E3501 HydrophobicContact CB-CG 4.05Å; A3351-E3501 WeakPolarHBondContact CB-OE1 3.36Å |
| 3352 | P | 82.7 | Confident | 62.2 | Low | 95.3333 Ų | 95.3333 | 76.9 Ų | 76.9 | 62% | 0.619 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 137.4 | -179.8 | 28 | -34.2 | 0 | 0 | 0 | 111 | F3354 G3497 | P3352-F3354 PolarHBondContact O-N 3.06Å; P3352-G3497 VanDerWaalsContact O-CA 3.27Å; P3352-G3497 WeakPolarHBondContact O-CA 3.32Å |
| 3353 | P | 85.6 | Confident | 62.2 | Low | 63 Ų | 63 | 75.2 Ų | 75.2 | 41% | 0.409 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.4 | -178.6 | 26 | -34.2 | 0 | 0 | 0 | 111.4 | Y3355 A3493 | P3353-Y3355 HydrophobicContact CB-CD2 4.5Å; P3353-Y3355 HydrophobicContact CB-CE2 3.98Å; P3353-Y3355 HydrophobicContact CG-CE2 4.08Å; P3353-A3493 CarbonylContact C-O 3.54Å; P3353-A3493 WeakPolarHBondContact CA-O 3.33Å; P3353-A3493 HydrophobicContact CB-CB 4.04Å |
| 3354 | F | 88.1 | Confident | 62.1 | Low | 36 Ų | 36 | 69.5 Ų | 69.5 | 16% | 0.158 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 120 | 178.3 | 176.9 | -88.5 | 0 | 0 | 0 | 110.7 | P3352 P3356 G3475 F3479 A3493 T3496 L3500 | P3352-F3354 PolarHBondContact O-N 3.06Å; F3354-P3356 HydrophobicContact CE1-CB 4.31Å; F3354-G3475 VanDerWaalsContact CE1-C 3.41Å; F3354-G3475 WeakPolarHBondContact CE1-O 3.21Å; F3354-G3475 VanDerWaalsContact CZ-C 3.45Å; F3354-F3479 HydrophobicContact CD1-CB 4.27Å; F3354-F3479 HydrophobicContact CD1-CD2 4.09Å; F3354-F3479 HydrophobicContact CE1-CB 4.19Å; F3354-F3479 WeakPolarHBondContact O-CD2 3.41Å; F3354-F3479 WeakPolarHBondContact O-CE2 3.32Å; F3354-A3493 PolarHBondContact N-O 2.88Å; F3354-A3493 WeakPolarHBondContact O-CA 3.44Å; F3354-A3493 WeakPolarHBondContact O-CB 3.42Å; F3354-T3496 HydrophobicContact CB-CG2 3.96Å; F3354-T3496 HydrophobicContact CD1-CG2 3.6Å; F3354-T3496 HydrophobicContact CE1-CG2 4.44Å; F3354-T3496 HydrophobicContact CG-CG2 4.01Å; F3354-L3500 HydrophobicContact CB-CD1 3.78Å; F3354-L3500 HydrophobicContact CD1-CD1 4.3Å; F3354-L3500 HydrophobicContact CD2-CD1 3.4Å; F3354-L3500 VanDerWaalsContact CD2-CD1 3.4Å; F3354-L3500 HydrophobicContact CE2-CD1 4.04Å; F3354-L3500 HydrophobicContact CG-CD1 3.55Å |
| 3355 | Y | 83.9 | Confident | 61.7 | Low | 61.6667 Ų | 61.6667 | 70.3 Ų | 70.3 | 24% | 0.242 | 46% | 0.456 | C | S | . | . | trans | -108.2 | 129.7 | 168.7 | -67.6 | -83.9 | 0 | 0 | 0 | 109.6 | P3353 A3359 H3490 A3493 | P3353-Y3355 HydrophobicContact CB-CD2 4.5Å; P3353-Y3355 HydrophobicContact CB-CE2 3.98Å; P3353-Y3355 HydrophobicContact CG-CE2 4.08Å; Y3355-A3359 HydrophobicContact CD1-CB 4.18Å; Y3355-H3490 PolarHBondContact OH-CD2 3.32Å; Y3355-H3490 VanDerWaalsContact OH-CD2 3.26Å; Y3355-H3490 PolarHBondContact OH-NE2 2.86Å; Y3355-A3493 HydrophobicContact CD1-CB 4.04Å; Y3355-A3493 HydrophobicContact CD2-CB 4.33Å; Y3355-A3493 HydrophobicContact CE1-CB 3.59Å; Y3355-A3493 HydrophobicContact CE2-CB 4.04Å; Y3355-A3493 HydrophobicContact CG-CB 4.39Å | ||
| 3356 | P | 75.4 | Confident | 60.8 | Low | 26.6667 Ų | 26.6667 | 73.3 Ų | 73.3 | 17% | 0.173 | 48% | 0.479 | C | S | . | . | trans | -64.2 | 149.9 | 174 | 28.3 | -34.6 | 0 | 0 | 0 | 110.3 | F3354 A3358 A3359 F3479 | F3354-P3356 HydrophobicContact CE1-CB 4.31Å; P3356-A3358 PolarHBondContact O-N 3.15Å; P3356-A3359 HydrophobicContact CG-CB 4.49Å; P3356-A3359 PolarHBondContact O-N 3.23Å; P3356-A3359 VanDerWaalsContact O-N 3.1Å; P3356-F3479 HydrophobicContact CG-CD1 3.8Å; P3356-F3479 HydrophobicContact CG-CD2 4.48Å; P3356-F3479 HydrophobicContact CG-CE1 3.87Å; P3356-F3479 HydrophobicContact CG-CE2 4.49Å; P3356-F3479 HydrophobicContact CG-CG 4.13Å; P3356-F3479 HydrophobicContact CG-CZ 4.24Å | ||
| 3357 | S | 60.6 | Low | 59.1 | Low | 79.3333 Ų | 79.3333 | 76.8 Ų | 76.8 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -2.1 | -166.8 | -160.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 3358 | A | 52.5 | Low | 56.8 | Low | 89.3333 Ų | 89.3333 | 84.3 Ų | 84.3 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -31.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P3356 A3361 | P3356-A3358 PolarHBondContact O-N 3.15Å; A3358-A3361 PolarHBondContact O-N 3.19Å |
| 3359 | A | 46.1 | Very low | 54.5 | Low | 28.3333 Ų | 28.3333 | 88.8 Ų | 88.8 | 23% | 0.234 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -78 | -23.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y3355 P3356 A3361 A3362 F3363 | Y3355-A3359 HydrophobicContact CD1-CB 4.18Å; P3356-A3359 HydrophobicContact CG-CB 4.49Å; P3356-A3359 PolarHBondContact O-N 3.23Å; P3356-A3359 VanDerWaalsContact O-N 3.1Å; A3359-A3361 PolarHBondContact O-N 3.2Å; A3359-A3361 VanDerWaalsContact O-N 3.13Å; A3359-A3362 PolarHBondContact O-N 3.42Å; A3359-F3363 PolarHBondContact O-N 3.03Å |
| 3360 | Q | 42.2 | Very low | 52.3 | Low | 110 Ų | 110 | 91.6 Ų | 91.6 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -70.3 | -1.5 | -179.6 | -65.2 | -172.3 | -38.6 | 0 | 0 | 113.6 | S3364 | Q3360-S3364 PolarHBondContact O-OG 2.97Š|
| 3361 | A | 36 | Very low | 50 | Low | 83.6667 Ų | 83.6667 | 92.9 Ų | 92.9 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -84.6 | -15.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A3358 A3359 | A3358-A3361 PolarHBondContact O-N 3.19Å; A3359-A3361 PolarHBondContact O-N 3.2Å; A3359-A3361 VanDerWaalsContact O-N 3.13Å |
| 3362 | A | 35.6 | Very low | 47.6 | Very low | 68.3333 Ų | 68.3333 | 99.1 Ų | 99.1 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A3359 S3364 S3365 | A3359-A3362 PolarHBondContact O-N 3.42Å; A3362-S3364 VanDerWaalsContact C-N 3.28Å; A3362-S3364 PolarHBondContact O-N 3.19Å; A3362-S3365 PolarHBondContact O-OG 2.94Å; A3362-S3365 VanDerWaalsContact O-OG 3.09Å |
| 3363 | F | 33.3 | Very low | 45.2 | Very low | 172 Ų | 172 | 99.4 Ų | 99.4 | 75% | 0.754 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -63 | 27.9 | -179.8 | -64 | -77.8 | 0 | 0 | 0 | 115.5 | A3359 S3365 | A3359-F3363 PolarHBondContact O-N 3.03Å; F3363-S3365 VanDerWaalsContact C-N 3.34Å; F3363-S3365 PolarHBondContact O-N 3.11Å |
| 3364 | S | 31.9 | Very low | 42.7 | Very low | 109.667 Ų | 109.667 | 101.3 Ų | 101.3 | 77% | 0.767 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 47.5 | 160.1 | -66.7 | 0 | 0 | 0 | 0 | 113 | Q3360 A3362 | Q3360-S3364 PolarHBondContact O-OG 2.97Å; A3362-S3364 VanDerWaalsContact C-N 3.28Å; A3362-S3364 PolarHBondContact O-N 3.19Å |
| 3365 | S | 31 | Very low | 40.2 | Very low | 106.667 Ų | 106.667 | 108.2 Ų | 108.2 | 75% | 0.746 | 65% | 0.647 | S | S | * | * | trans | -137 | 67.6 | 178.1 | 29.5 | 0 | 0 | 0 | 0 | 111.8 | A3362 F3363 | A3362-S3365 PolarHBondContact O-OG 2.94Å; A3362-S3365 VanDerWaalsContact O-OG 3.09Å; F3363-S3365 VanDerWaalsContact C-N 3.34Å; F3363-S3365 PolarHBondContact O-N 3.11Å | ||
| 3366 | A | 31.9 | Very low | 37.7 | Very low | 86.6667 Ų | 86.6667 | 111.9 Ų | 111.9 | 72% | 0.716 | 67% | 0.671 | S | S | * | * | trans | -119.5 | 141.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3367 | D | 29.4 | Very low | 35.9 | Very low | 138.667 Ų | 138.667 | 116.1 Ų | 116.1 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | trans | -77.1 | 144.2 | 139.1 | -78.1 | -35.3 | 0 | 0 | 0 | 112.6 | ||||
| 3368 | F | 30.3 | Very low | 34.6 | Very low | 178.667 Ų | 178.667 | 117.3 Ų | 117.3 | 78% | 0.784 | 71% | 0.707 | S | S | * | * | -116.6 | 150.3 | 127.2 | -98.7 | -75.7 | 0 | 0 | 0 | 114.4 | |||||
| 3369 | N | 30.4 | Very low | 33.9 | Very low | 131.333 Ų | 131.333 | 119 Ų | 119 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | 84.1 | 122.6 | 128.1 | -86.9 | -26.4 | 0 | 0 | 0 | 119.1 | |||||
| 3370 | S | 31.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -121.1 | 106.2 | 130.6 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3371 | Q | 29.7 | Very low | 32.8 | Very low | 171.667 Ų | 171.667 | 126.9 Ų | 126.9 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 70.3 | 124 | 130.5 | -69.4 | -175.6 | 11.6 | 0 | 0 | 116.8 | ||||
| 3372 | T | 31.7 | Very low | 32.8 | Very low | 135.333 Ų | 135.333 | 130.2 Ų | 130.2 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | trans | 177.1 | 104.4 | 149.1 | 41.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3373 | S | 31.3 | Very low | 32.8 | Very low | 103.333 Ų | 103.333 | 131.5 Ų | 131.5 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | 151.3 | 121.4 | 121.6 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 3374 | S | 33.5 | Very low | 32.8 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 143.6 | 126.8 | 136.8 | 62 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3375 | H | 35.1 | Very low | 33 | Very low | 179.667 Ų | 179.667 | 130.3 Ų | 130.3 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | 78.2 | 122 | 134.4 | -83.2 | -63.7 | 0 | 0 | 0 | 119.6 | ||||
| 3376 | N | 32.6 | Very low | 33.3 | Very low | 140.333 Ų | 140.333 | 130 Ų | 130 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | trans | -26.6 | 158.5 | 142.1 | -88.2 | -9.2 | 0 | 0 | 0 | 114.6 | ||||
| 3377 | P | 37.8 | Very low | 33.4 | Very low | 113.333 Ų | 113.333 | 132.2 Ų | 132.2 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | cis | -148.4 | 167.8 | 18.2 | 39.6 | -18.9 | 0 | 0 | 0 | 117.7 | ||||
| 3378 | S | 33.4 | Very low | 33.6 | Very low | 105.667 Ų | 105.667 | 133.1 Ų | 133.1 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | 58.5 | 160.3 | 147.2 | -46 | 0 | 0 | 0 | 0 | 120 | ||||
| 3379 | P | 38.1 | Very low | 33.9 | Very low | 125.333 Ų | 125.333 | 128.5 Ų | 128.5 | 81% | 0.814 | 74% | 0.742 | S | S | * | * | trans | -126.4 | 175.9 | -136.8 | 41.1 | -27 | 0 | 0 | 0 | 117.1 | ||||
| 3380 | A | 32.8 | Very low | 34.1 | Very low | 87.6667 Ų | 87.6667 | 129.8 Ų | 129.8 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | trans | 112.6 | 129.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3381 | R | 31.6 | Very low | 34.4 | Very low | 216 Ų | 216 | 131.4 Ų | 131.4 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | 105.2 | 132 | 107.7 | -90.4 | -177 | 172.3 | 178.4 | -1.4 | 118.9 | |||||
| 3382 | H | 36.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 128 Ų | 128 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 122.7 | 146.9 | -59.6 | -52.6 | 0 | 0 | 0 | 120.3 | ||||
| 3383 | S | 35.8 | Very low | 35.3 | Very low | 94.6667 Ų | 94.6667 | 129.3 Ų | 129.3 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | 86.6 | 148.7 | 91.6 | 63.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 3384 | D | 32.3 | Very low | 35.5 | Very low | 139.333 Ų | 139.333 | 127.5 Ų | 127.5 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | cis | 157.6 | 160.5 | -25.2 | -95.2 | -59 | 0 | 0 | 0 | 111.9 | ||||
| 3385 | T | 36.9 | Very low | 35.5 | Very low | 118.333 Ų | 118.333 | 130.3 Ų | 130.3 | 73% | 0.726 | 74% | 0.741 | S | S | * | * | 44.2 | 147.9 | 129.4 | 13.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 3386 | S | 36.8 | Very low | 35.5 | Very low | 99.6667 Ų | 99.6667 | 127.3 Ų | 127.3 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | 144.3 | 170.7 | 76.7 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 3387 | N | 33.3 | Very low | 35.4 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | -163.2 | 175.2 | -20.4 | -106.9 | -10.6 | 0 | 0 | 0 | 110 | ||||
| 3388 | I | 34.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | trans | 72.3 | 136.4 | 158.2 | -64.2 | 158.2 | 0 | 0 | 0 | 115.8 | ||||
| 3389 | S | 36.9 | Very low | 35 | Very low | 82.3333 Ų | 82.3333 | 125.6 Ų | 125.6 | 58% | 0.576 | 74% | 0.742 | S | S | * | * | cis | -171.1 | 179.4 | -14.2 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3390 | H | 34.5 | Very low | 34.6 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | cis | -174.8 | 152.6 | 25.1 | -92.5 | -101.4 | 0 | 0 | 0 | 112.8 | ||||
| 3391 | I | 37.6 | Very low | 34.5 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | cis | 114.4 | 141.7 | 26.3 | -87.2 | 175 | 0 | 0 | 0 | 113.2 | ||||
| 3392 | P | 43.6 | Very low | 34.3 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | -130.4 | -160.1 | -123 | 42.4 | -26.8 | 0 | 0 | 0 | 116.5 | |||||
| 3393 | D | 36.1 | Very low | 33.9 | Very low | 162.667 Ų | 162.667 | 125.4 Ų | 125.4 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | 108 | 141.9 | 157.4 | -70.5 | -29 | 0 | 0 | 0 | 117.8 | ||||
| 3394 | G | 34.8 | Very low | 33.5 | Very low | 65.3333 Ų | 65.3333 | 125.5 Ų | 125.5 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | cis | 146.9 | 125.6 | 2.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 3395 | N | 33.4 | Very low | 33.3 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | 53.4 | 156.9 | 145.5 | -77.6 | 3.2 | 0 | 0 | 0 | 121.3 | ||||
| 3396 | V | 35 | Very low | 32.9 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | cis | -165.1 | 150.3 | -21.4 | 113.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3397 | S | 31.9 | Very low | 32.5 | Very low | 120.333 Ų | 120.333 | 130.9 Ų | 130.9 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | 45.2 | 147.7 | 162.6 | -58.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 3398 | G | 31.6 | Very low | 32.1 | Very low | 67.3333 Ų | 67.3333 | 130.9 Ų | 130.9 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | 158.9 | 107.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3399 | T | 31.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 22.9 | 130.2 | 149.6 | 29.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3400 | E | 28.8 | Very low | 31.4 | Very low | 180.333 Ų | 180.333 | 130.3 Ų | 130.3 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 125.5 | 143.1 | 130.3 | -88.9 | -169.3 | -152.1 | 0 | 0 | 120.2 | ||||
| 3401 | V | 31.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 172.3 | 138.7 | 158.4 | 177.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3402 | L | 27.1 | Very low | 30.8 | Very low | 158.5 Ų | 158.5 | 125.5 Ų | 125.5 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 5.8 | 117.9 | 174.6 | -73.5 | 149.4 | 0 | 0 | 0 | 119.2 | ||||
| 3403 | S | 27.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 139 | 124.5 | 132 | -83.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 3404 | S | 26.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 84.6 | 129.9 | 131.6 | -157.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 3405 | R | 28.1 | Very low | 29.4 | Very low | 212 Ų | 212 | 130 Ų | 130 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 68.4 | 132.8 | 153.4 | -64.3 | 172.8 | -174 | -172.7 | 1.9 | 117.8 | ||||
| 3406 | V | 29.5 | Very low | 29.2 | Very low | 121.5 Ų | 121.5 | 128.8 Ų | 128.8 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | -160.5 | 144.1 | 51.7 | 132.1 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 3407 | L | 26.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | 22.7 | 155.4 | 123.8 | -80.3 | 121.9 | 0 | 0 | 0 | 116.7 | |||||
| 3408 | D | 27 | Very low | 29 | Very low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 130.7 | 166.5 | 95.9 | -107 | -37 | 0 | 0 | 0 | 117.7 | |||||
| 3409 | S | 28.9 | Very low | 29 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 146.4 | 169.6 | 61.1 | -95.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 3410 | C | 26.5 | Very low | 29.2 | Very low | 125.5 Ų | 125.5 | 130.4 Ų | 130.4 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | 148.3 | 140.2 | -176.4 | -55.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3411 | A | 30.5 | Very low | 29.3 | Very low | 94.5 Ų | 94.5 | 128 Ų | 128 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | 133.9 | 151.2 | 91.4 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 3412 | S | 29.9 | Very low | 29.4 | Very low | 106.5 Ų | 106.5 | 128.9 Ų | 128.9 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | cis | 177.2 | 167.7 | -10.3 | -118.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 3413 | L | 28.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 72.7 | 142.2 | 150.9 | -55.7 | 176.5 | 0 | 0 | 0 | 118.4 | ||||
| 3414 | Q | 28.8 | Very low | 30 | Very low | 161.5 Ų | 161.5 | 127 Ų | 127 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | cis | -151.3 | 152.1 | 0.4 | -106.9 | 178.8 | 1.4 | 0 | 0 | 110.7 | ||||
| 3415 | L | 27.1 | Very low | 30.3 | Very low | 116.5 Ų | 116.5 | 125.9 Ų | 125.9 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | 72.2 | 132.9 | 125.1 | -64.8 | 164.4 | 0 | 0 | 0 | 119.6 | |||||
| 3416 | L | 29.2 | Very low | 30.7 | Very low | 136.5 Ų | 136.5 | 121 Ų | 121 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | 136.3 | 129.8 | 99.2 | -71.8 | 159.9 | 0 | 0 | 0 | 117.9 | |||||
| 3417 | N | 30.4 | Very low | 31 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | 66.7 | 144.8 | 113.5 | -91.8 | 5.6 | 0 | 0 | 0 | 116.6 | |||||
| 3418 | S | 33.1 | Very low | 31.8 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | cis | -156 | 174.9 | 20.4 | -38.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3419 | N | 31.3 | Very low | 32.2 | Very low | 142.5 Ų | 142.5 | 119.4 Ų | 119.4 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | 130.5 | 165.8 | 72.2 | -102.1 | -21.1 | 0 | 0 | 0 | 114.9 | |||||
| 3420 | T | 35.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 121 Ų | 121 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | 136.3 | 141.9 | 79.7 | 43.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 3421 | N | 31.8 | Very low | 32.9 | Very low | 130.5 Ų | 130.5 | 121.4 Ų | 121.4 | 70% | 0.698 | 73% | 0.73 | S | S | * | * | 135 | 143.6 | 61.7 | -86.8 | -9.2 | 0 | 0 | 0 | 119.1 | |||||
| 3422 | I | 34.1 | Very low | 33.1 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 79.3 | 114.7 | 144 | -62.2 | 156.4 | 0 | 0 | 0 | 119.1 | ||||
| 3423 | S | 34.6 | Very low | 33.1 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | 125.5 | 162.5 | 77.4 | 46.4 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 3424 | S | 33.1 | Very low | 33.6 | Very low | 116.5 Ų | 116.5 | 125.3 Ų | 125.3 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | -135.9 | 164 | 103.2 | 51 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 3425 | G | 33 | Very low | 33.9 | Very low | 74.5 Ų | 74.5 | 122.8 Ų | 122.8 | 77% | 0.768 | 73% | 0.732 | S | S | * | * | trans | 143.4 | 154.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3426 | S | 35.6 | Very low | 34.3 | Very low | 109.5 Ų | 109.5 | 124.1 Ų | 124.1 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | -165.4 | 137.3 | -93.3 | 0.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3427 | S | 35.4 | Very low | 34.4 | Very low | 114.5 Ų | 114.5 | 124.4 Ų | 124.4 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | 73 | 160 | 120 | -108.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 3428 | P | 44.9 | Very low | 34.6 | Very low | 99.5 Ų | 99.5 | 123.7 Ų | 123.7 | 65% | 0.646 | 74% | 0.742 | S | S | * | * | cis | -138.9 | -177.2 | -39.3 | 36.8 | -18.5 | 0 | 0 | 0 | 115.3 | ||||
| 3429 | N | 35.5 | Very low | 34.5 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 125.7 | 137.7 | 145.4 | -69.3 | -24.1 | 0 | 0 | 0 | 116.8 | ||||
| 3430 | N | 34.9 | Very low | 34.5 | Very low | 133.5 Ų | 133.5 | 127.5 Ų | 127.5 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | 138 | 121.1 | 78.1 | -113.6 | 12.1 | 0 | 0 | 0 | 120 | |||||
| 3431 | I | 34.7 | Very low | 34.3 | Very low | 134.5 Ų | 134.5 | 128.7 Ų | 128.7 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | 84.8 | 120.7 | 130 | -72 | 170.8 | 0 | 0 | 0 | 121.7 | ||||
| 3432 | Q | 34.7 | Very low | 34.1 | Very low | 165.5 Ų | 165.5 | 129.8 Ų | 129.8 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 74.8 | 113.1 | 152.8 | -102.9 | 127.5 | -38.7 | 0 | 0 | 123.7 | ||||
| 3433 | D | 30.1 | Very low | 33.9 | Very low | 141.5 Ų | 141.5 | 130.4 Ų | 130.4 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | 2.1 | 164 | 146.3 | -66.5 | -43.8 | 0 | 0 | 0 | 117.1 | ||||
| 3434 | P | 38.9 | Very low | 33.5 | Very low | 120.5 Ų | 120.5 | 132.1 Ų | 132.1 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | -136.1 | 157.3 | -56.5 | 41.6 | -26.4 | 0 | 0 | 0 | 118.5 | |||||
| 3435 | S | 33.3 | Very low | 33.4 | Very low | 109.5 Ų | 109.5 | 132.5 Ų | 132.5 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -166.3 | 145.6 | 146.4 | 59.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3436 | D | 35.6 | Very low | 33.1 | Very low | 143.5 Ų | 143.5 | 135.3 Ų | 135.3 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 60.6 | 108.3 | 145.9 | -71.5 | 10.2 | 0 | 0 | 0 | 124.6 | ||||
| 3437 | N | 33.2 | Very low | 32.8 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | 81.9 | 130.6 | 119.5 | -110.9 | -24.6 | 0 | 0 | 0 | 120.9 | |||||
| 3438 | V | 32.7 | Very low | 32.4 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | 133.5 | 108.2 | 139.6 | 170.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3439 | N | 32.7 | Very low | 32 | Very low | 134.5 Ų | 134.5 | 142.4 Ų | 142.4 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | 127.1 | 137.8 | 142 | -87.9 | -49.1 | 0 | 0 | 0 | 117.4 | ||||
| 3440 | R | 30.4 | Very low | 31.6 | Very low | 176.5 Ų | 176.5 | 140.4 Ų | 140.4 | 67% | 0.666 | 75% | 0.745 | S | S | * | * | -70.2 | 149.8 | 78.4 | -92.8 | 171 | -170.3 | 172 | 1 | 116.7 | |||||
| 3441 | N | 30.6 | Very low | 31.2 | Very low | 135.5 Ų | 135.5 | 141.2 Ų | 141.2 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | trans | 119.2 | 111.6 | 136.5 | -73.2 | -13 | 0 | 0 | 0 | 116.5 | ||||
| 3442 | I | 27.9 | Very low | 30.9 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | 130.4 | 141.9 | 107.7 | -75.8 | 164.2 | 0 | 0 | 0 | 111.2 | |||||
| 3443 | L | 30.2 | Very low | 30.6 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | 136 | 139.9 | 166.7 | -81 | 177.2 | 0 | 0 | 0 | 113.4 | ||||
| 3444 | L | 26.3 | Very low | 30.5 | Very low | 148.5 Ų | 148.5 | 140.5 Ų | 140.5 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | 147.8 | 135.1 | 95.9 | -154 | 113.4 | 0 | 0 | 0 | 111.7 | |||||
| 3445 | V | 31.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 129.8 | 143.7 | 159.2 | 148 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3446 | N | 26.5 | Very low | 29.9 | Very low | 132.5 Ų | 132.5 | 139 Ų | 139 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | -131.7 | 164.1 | -88.3 | -80.7 | -29.7 | 0 | 0 | 0 | 113.5 | |||||
| 3447 | Y | 29.8 | Very low | 29.6 | Very low | 211.5 Ų | 211.5 | 140.8 Ų | 140.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 132.4 | 139.4 | 138.3 | -106.3 | -111.8 | 0 | 0 | 0 | 116.8 | ||||
| 3448 | E | 26.6 | Very low | 29.4 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 151.4 | 161.4 | 132.4 | -122.1 | -158.4 | 163.3 | 0 | 0 | 112.1 | ||||
| 3449 | P | 36.4 | Very low | 29.4 | Very low | 102.5 Ų | 102.5 | 139.4 Ų | 139.4 | 67% | 0.666 | 75% | 0.745 | S | S | * | * | -121.1 | 160.1 | -97 | 37.8 | -24.5 | 0 | 0 | 0 | 115.7 | |||||
| 3450 | S | 26.5 | Very low | 29.3 | Very low | 101.5 Ų | 101.5 | 140.3 Ų | 140.3 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | 110.5 | 141.2 | 140.2 | -71.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 3451 | N | 27.9 | Very low | 29.6 | Very low | 149.5 Ų | 149.5 | 137.1 Ų | 137.1 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | 68.5 | 128.7 | 141.7 | -67.4 | -11.3 | 0 | 0 | 0 | 122.8 | ||||
| 3452 | S | 26.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | 122.5 | 146.2 | 51.7 | 62.6 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 3453 | I | 29.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 124.5 | 128.7 | 141.6 | -83.3 | 156.4 | 0 | 0 | 0 | 111.1 | ||||
| 3454 | Q | 28.3 | Very low | 29.4 | Very low | 180.5 Ų | 180.5 | 133.2 Ų | 133.2 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | cis | 139 | 132.1 | 28.7 | -99.1 | -172.5 | -10.5 | 0 | 0 | 112.2 | ||||
| 3455 | S | 29.1 | Very low | 29.5 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | -161.1 | 169 | 71.4 | 23.9 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 3456 | S | 30.2 | Very low | 29.4 | Very low | 101.5 Ų | 101.5 | 139.3 Ų | 139.3 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | cis | 120.7 | 136.5 | 29.2 | 52 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3457 | E | 27.7 | Very low | 29.6 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | cis | -151.4 | -154.6 | -1.6 | -140.4 | -175.9 | -119.9 | 0 | 0 | 110.4 | ||||
| 3458 | S | 30.8 | Very low | 30 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | 144.6 | 133.7 | 79.6 | 76 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 3459 | N | 31.2 | Very low | 30.8 | Very low | 135.5 Ų | 135.5 | 134.3 Ų | 134.3 | 73% | 0.725 | 76% | 0.761 | S | S | * | * | trans | 52.5 | 89 | 138.7 | -60.3 | -20.5 | 0 | 0 | 0 | 121.1 | ||||
| 3460 | N | 31.9 | Very low | 31.4 | Very low | 153.5 Ų | 153.5 | 135.1 Ų | 135.1 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | 101.7 | 151.1 | 103.9 | -82.9 | -27.7 | 0 | 0 | 0 | 117.9 | |||||
| 3461 | P | 36.4 | Very low | 32.6 | Very low | 109.5 Ų | 109.5 | 132.4 Ų | 132.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | -122.4 | 154.5 | -106.6 | 38.6 | -28.4 | 0 | 0 | 0 | 114.8 | |||||
| 3462 | V | 30.9 | Very low | 34.2 | Very low | 149.5 Ų | 149.5 | 132.8 Ų | 132.8 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | trans | -156.9 | 135.1 | 152.1 | 158.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 3463 | C | 26.5 | Very low | 36.4 | Very low | 122.5 Ų | 122.5 | 131.3 Ų | 131.3 | 83% | 0.828 | 73% | 0.727 | S | S | * | * | trans | -97.8 | 138.7 | -166.7 | -61.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3464 | A | 26.3 | Very low | 38.9 | Very low | 93.5 Ų | 93.5 | 125.7 Ų | 125.7 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | trans | 125.2 | 84.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3465 | R | 29 | Very low | 41.6 | Very low | 242.5 Ų | 242.5 | 117.1 Ų | 117.1 | 92% | 0.915 | 66% | 0.66 | S | S | * | * | trans | -167.9 | 107 | 150.4 | -105 | 159.3 | -171.5 | 177.4 | 3.5 | 111.1 | ||||
| 3466 | H | 28.6 | Very low | 44.2 | Very low | 160.5 Ų | 160.5 | 114.5 Ų | 114.5 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | trans | -144.4 | -99.8 | 167 | -123.9 | -91.3 | 0 | 0 | 0 | 113.1 | T3469 | H3466-T3469 PolarHBondContact O-OG1 3.36Š| ||
| 3467 | D | 31.3 | Very low | 46.8 | Very low | 153.5 Ų | 153.5 | 117.8 Ų | 117.8 | 82% | 0.821 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -174.7 | -5.1 | 177.6 | -60 | -34.6 | 0 | 0 | 0 | 117.5 | ||
| 3468 | L | 37.8 | Very low | 49.7 | Very low | 151.5 Ų | 151.5 | 109.2 Ų | 109.2 | 79% | 0.793 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -95.9 | -5.9 | -179.1 | -81.7 | 123.9 | 0 | 0 | 0 | 115.6 | ||
| 3469 | T | 43.9 | Very low | 52.6 | Low | 93.5 Ų | 93.5 | 105 Ų | 105 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -88 | -40.3 | -173.5 | 46.9 | 0 | 0 | 0 | 0 | 113.8 | H3466 G3471 R3472 | H3466-T3469 PolarHBondContact O-OG1 3.36Å; T3469-G3471 PolarHBondContact O-N 2.91Å; T3469-R3472 PolarHBondContact O-N 3.48Å |
| 3470 | N | 48 | Very low | 55.2 | Low | 119.5 Ų | 119.5 | 102.9 Ų | 102.9 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.8 | -38.3 | -174.2 | -76 | -8.4 | 0 | 0 | 0 | 113.5 | R3472 S3473 V3474 | N3470-R3472 VanDerWaalsContact C-N 3.33Å; N3470-R3472 PolarHBondContact O-N 3Å; N3470-S3473 PolarHBondContact O-N 3.44Å; N3470-S3473 VanDerWaalsContact O-N 3.15Å; N3470-S3473 PolarHBondContact O-OG 3.32Å; N3470-V3474 PolarHBondContact O-N 2.83Å |
| 3471 | G | 51.8 | Low | 57.8 | Low | 43.5 Ų | 43.5 | 100.7 Ų | 100.7 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | T3469 S3473 V3474 G3475 | T3469-G3471 PolarHBondContact O-N 2.91Å; G3471-S3473 VanDerWaalsContact C-N 3.34Å; G3471-S3473 PolarHBondContact O-N 2.95Å; G3471-V3474 PolarHBondContact O-N 3.3Å; G3471-G3475 PolarHBondContact O-N 3.13Å |
| 3472 | R | 61.3 | Low | 60.3 | Low | 158.5 Ų | 158.5 | 95.5 Ų | 95.5 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -35.7 | 179.8 | -76.1 | -175.5 | 167.5 | -153.1 | -6.5 | 113 | T3469 N3470 S3476 | T3469-R3472 PolarHBondContact O-N 3.48Å; N3470-R3472 VanDerWaalsContact C-N 3.33Å; N3470-R3472 PolarHBondContact O-N 3Å; R3472-S3476 WeakPolarHBondContact O-CB 3.44Å; R3472-S3476 PolarHBondContact O-N 3.05Å; R3472-S3476 VanDerWaalsContact O-N 3.1Å; R3472-S3476 PolarHBondContact O-OG 3.01Å; R3472-S3476 VanDerWaalsContact O-OG 3.1Å |
| 3473 | S | 74 | Confident | 63.1 | Low | 62.5 Ų | 62.5 | 92.5 Ų | 92.5 | 44% | 0.437 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 179.6 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | N3470 G3471 R3477 | N3470-S3473 PolarHBondContact O-N 3.44Å; N3470-S3473 VanDerWaalsContact O-N 3.15Å; N3470-S3473 PolarHBondContact O-OG 3.32Å; G3471-S3473 VanDerWaalsContact C-N 3.34Å; G3471-S3473 PolarHBondContact O-N 2.95Å; S3473-R3477 WeakPolarHBondContact O-CG 3.39Å; S3473-R3477 PolarHBondContact O-N 3.22Å |
| 3474 | V | 82 | Confident | 65.9 | Low | 35 Ų | 35 | 90.5 Ų | 90.5 | 21% | 0.212 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.5 | -48.9 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | N3470 G3471 S3476 R3477 L3478 L3500 H3507 L3511 | N3470-V3474 PolarHBondContact O-N 2.83Å; G3471-V3474 PolarHBondContact O-N 3.3Å; V3474-S3476 VanDerWaalsContact C-N 3.3Å; V3474-S3476 PolarHBondContact O-N 3.18Å; V3474-R3477 PolarHBondContact O-N 3.18Å; V3474-R3477 VanDerWaalsContact O-N 3.13Å; V3474-L3478 HydrophobicContact CG1-CD1 3.93Å; V3474-L3478 HydrophobicContact CG1-CG 4.41Å; V3474-L3478 PolarHBondContact O-N 3.09Å; V3474-L3500 HydrophobicContact CG1-CD2 4.37Å; V3474-H3507 HydrophobicContact CG1-CB 3.73Å; V3474-L3511 HydrophobicContact CG1-CD1 4.32Å |
| 3475 | G | 83.8 | Confident | 68.6 | Low | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F3354 G3471 R3477 L3478 F3479 | F3354-G3475 VanDerWaalsContact CE1-C 3.41Å; F3354-G3475 WeakPolarHBondContact CE1-O 3.21Å; F3354-G3475 VanDerWaalsContact CZ-C 3.45Å; G3471-G3475 PolarHBondContact O-N 3.13Å; G3475-R3477 VanDerWaalsContact C-N 3.34Å; G3475-R3477 PolarHBondContact O-N 3.22Å; G3475-L3478 PolarHBondContact O-N 3.33Å; G3475-F3479 WeakPolarHBondContact O-CB 3.34Å; G3475-F3479 PolarHBondContact O-N 3.17Å |
| 3476 | S | 84.1 | Confident | 71.1 | Confident | 43.5 Ų | 43.5 | 78.5 Ų | 78.5 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | R3472 V3474 T3480 | R3472-S3476 WeakPolarHBondContact O-CB 3.44Å; R3472-S3476 PolarHBondContact O-N 3.05Å; R3472-S3476 VanDerWaalsContact O-N 3.1Å; R3472-S3476 PolarHBondContact O-OG 3.01Å; R3472-S3476 VanDerWaalsContact O-OG 3.1Å; V3474-S3476 VanDerWaalsContact C-N 3.3Å; V3474-S3476 PolarHBondContact O-N 3.18Å; S3476-T3480 PolarHBondContact O-N 3.36Å; S3476-T3480 VanDerWaalsContact O-N 3.17Å; S3476-T3480 PolarHBondContact O-OG1 3.46Å |
| 3477 | R | 85.5 | Confident | 73.4 | Confident | 170.5 Ų | 170.5 | 82.1 Ų | 82.1 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70 | -41.7 | 176.5 | -70.3 | 176.3 | 179.4 | -170.8 | 0.1 | 112.3 | S3473 V3474 G3475 R3481 L3511 | S3473-R3477 WeakPolarHBondContact O-CG 3.39Å; S3473-R3477 PolarHBondContact O-N 3.22Å; V3474-R3477 PolarHBondContact O-N 3.18Å; V3474-R3477 VanDerWaalsContact O-N 3.13Å; G3475-R3477 VanDerWaalsContact C-N 3.34Å; G3475-R3477 PolarHBondContact O-N 3.22Å; R3477-R3481 PolarHBondContact O-N 3.39Å; R3477-L3511 HydrophobicContact CB-CD1 4.31Å; R3477-L3511 HydrophobicContact CB-CD2 3.76Å |
| 3478 | L | 88.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 174.7 | -74.9 | 173.1 | 0 | 0 | 0 | 110.7 | V3474 G3475 T3480 R3481 I3482 T3496 L3500 L3510 L3511 L3517 | V3474-L3478 HydrophobicContact CG1-CD1 3.93Å; V3474-L3478 HydrophobicContact CG1-CG 4.41Å; V3474-L3478 PolarHBondContact O-N 3.09Å; G3475-L3478 PolarHBondContact O-N 3.33Å; L3478-T3480 VanDerWaalsContact C-N 3.31Å; L3478-T3480 PolarHBondContact O-N 3Å; L3478-R3481 PolarHBondContact O-N 3.24Å; L3478-R3481 VanDerWaalsContact O-N 3.08Å; L3478-I3482 HydrophobicContact CB-CD1 4.06Å; L3478-I3482 VanDerWaalsContact O-CD1 3.31Å; L3478-I3482 WeakPolarHBondContact O-CD1 3.44Å; L3478-I3482 VanDerWaalsContact O-CG1 3.25Å; L3478-I3482 WeakPolarHBondContact O-CG1 3.36Å; L3478-I3482 PolarHBondContact O-N 3.08Å; L3478-T3496 HydrophobicContact CB-CG2 4.26Å; L3478-L3500 HydrophobicContact CD1-CD2 4.42Å; L3478-L3510 HydrophobicContact CD2-CB 4.11Å; L3478-L3511 HydrophobicContact CD2-CD2 3.79Å; L3478-L3511 HydrophobicContact CD2-CG 4.02Å; L3478-L3511 HydrophobicContact CG-CD2 4.07Å; L3478-L3511 HydrophobicContact CG-CG 4.36Å; L3478-L3517 HydrophobicContact CD2-CD1 4.21Å |
| 3479 | F | 91.2 | Very high | 77.9 | Confident | 5.5 Ų | 5.5 | 76.3 Ų | 76.3 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -52.7 | -51.2 | 178.7 | -170.5 | -86.2 | 0 | 0 | 0 | 111.8 | F3354 P3356 G3475 R3481 I3482 Q3483 E3489 T3492 A3493 T3496 | F3354-F3479 HydrophobicContact CD1-CB 4.27Å; F3354-F3479 HydrophobicContact CD1-CD2 4.09Å; F3354-F3479 HydrophobicContact CE1-CB 4.19Å; F3354-F3479 WeakPolarHBondContact O-CD2 3.41Å; F3354-F3479 WeakPolarHBondContact O-CE2 3.32Å; P3356-F3479 HydrophobicContact CG-CD1 3.8Å; P3356-F3479 HydrophobicContact CG-CD2 4.48Å; P3356-F3479 HydrophobicContact CG-CE1 3.87Å; P3356-F3479 HydrophobicContact CG-CE2 4.49Å; P3356-F3479 HydrophobicContact CG-CG 4.13Å; P3356-F3479 HydrophobicContact CG-CZ 4.24Å; G3475-F3479 WeakPolarHBondContact O-CB 3.34Å; G3475-F3479 PolarHBondContact O-N 3.17Å; F3479-R3481 VanDerWaalsContact C-N 3.33Å; F3479-R3481 PolarHBondContact O-N 3.21Å; F3479-I3482 PolarHBondContact O-N 2.85Å; F3479-Q3483 VanDerWaalsContact O-CB 3.27Å; F3479-Q3483 WeakPolarHBondContact O-CB 3.43Å; F3479-Q3483 PolarHBondContact O-N 2.87Å; F3479-E3489 HydrophobicContact CZ-CG 4.36Å; F3479-T3492 HydrophobicContact CD1-CG2 4.43Å; F3479-T3492 HydrophobicContact CD2-CG2 3.9Å; F3479-T3492 HydrophobicContact CE1-CG2 4.32Å; F3479-T3492 HydrophobicContact CE2-CG2 3.8Å; F3479-T3492 HydrophobicContact CG-CG2 4.23Å; F3479-T3492 HydrophobicContact CZ-CG2 4.02Å; F3479-A3493 HydrophobicContact CE2-CB 4.13Å; F3479-T3496 HydrophobicContact CB-CG2 4.07Å; F3479-T3496 HydrophobicContact CD2-CG2 4.38Å |
| 3480 | T | 86.7 | Confident | 79.8 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.3 | -35.5 | 179.7 | -53.5 | 0 | 0 | 0 | 0 | 112.6 | S3476 L3478 | S3476-T3480 PolarHBondContact O-N 3.36Å; S3476-T3480 VanDerWaalsContact O-N 3.17Å; S3476-T3480 PolarHBondContact O-OG1 3.46Å; L3478-T3480 VanDerWaalsContact C-N 3.31Å; L3478-T3480 PolarHBondContact O-N 3Å |
| 3481 | R | 86 | Confident | 81.6 | Confident | 107.5 Ų | 107.5 | 74.1 Ų | 74.1 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.6 | -43.3 | 177 | -104.3 | 2.2 | -167.9 | 102.2 | 11.2 | 112.1 | R3477 L3478 F3479 Q3483 S3484 L3485 E3514 L3517 | R3477-R3481 PolarHBondContact O-N 3.39Å; L3478-R3481 PolarHBondContact O-N 3.24Å; L3478-R3481 VanDerWaalsContact O-N 3.08Å; F3479-R3481 VanDerWaalsContact C-N 3.33Å; F3479-R3481 PolarHBondContact O-N 3.21Å; R3481-Q3483 VanDerWaalsContact C-N 3.32Å; R3481-Q3483 PolarHBondContact O-N 3.25Å; R3481-S3484 PolarHBondContact NH1-OG 3Å; R3481-S3484 PolarHBondContact O-N 3.11Å; R3481-S3484 VanDerWaalsContact O-N 3.12Å; R3481-S3484 PolarHBondContact O-OG 3.18Å; R3481-L3485 PolarHBondContact O-N 3.49Å; R3481-E3514 IonicContact CZ-OE1 2.83Å; R3481-E3514 VanDerWaalsContact CZ-OE1 3.26Å; R3481-E3514 IonicContact CZ-OE2 3.74Å; R3481-E3514 IonicContact NH1-OE1 3.21Å; R3481-E3514 PolarHBondContact NH1-OE1 3.17Å; R3481-E3514 VanDerWaalsContact NH1-OE1 3.13Å; R3481-E3514 IonicContact NH1-OE2 2.72Å; R3481-E3514 PolarHBondContact NH1-OE2 3.46Å; R3481-E3514 IonicContact NH2-OE1 2.77Å; R3481-E3514 PolarHBondContact NH2-OE1 3.36Å; R3481-E3514 IonicContact NH2-OE2 3.1Å; R3481-E3514 PolarHBondContact NH2-OE2 3Å; R3481-L3517 HydrophobicContact CB-CD2 3.82Å; R3481-L3517 HydrophobicContact CG-CD2 4.06Å |
| 3482 | I | 88.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.3 | -60.9 | 155.1 | 0 | 0 | 0 | 110.3 | L3478 F3479 S3484 L3485 V3486 T3492 I3495 T3496 L3499 L3517 V3521 | L3478-I3482 HydrophobicContact CB-CD1 4.06Å; L3478-I3482 VanDerWaalsContact O-CD1 3.31Å; L3478-I3482 WeakPolarHBondContact O-CD1 3.44Å; L3478-I3482 VanDerWaalsContact O-CG1 3.25Å; L3478-I3482 WeakPolarHBondContact O-CG1 3.36Å; L3478-I3482 PolarHBondContact O-N 3.08Å; F3479-I3482 PolarHBondContact O-N 2.85Å; I3482-S3484 PolarHBondContact O-N 2.84Å; I3482-L3485 PolarHBondContact O-N 3.17Å; I3482-V3486 HydrophobicContact CG2-CB 4.38Å; I3482-V3486 HydrophobicContact CG2-CG2 4.08Å; I3482-V3486 WeakPolarHBondContact O-CB 3.32Å; I3482-V3486 PolarHBondContact O-N 3.09Å; I3482-T3492 HydrophobicContact CB-CG2 4.16Å; I3482-T3492 HydrophobicContact CG2-CG2 3.95Å; I3482-I3495 HydrophobicContact CD1-CG2 4.45Å; I3482-I3495 HydrophobicContact CG2-CB 4.43Å; I3482-I3495 HydrophobicContact CG2-CG2 4Å; I3482-T3496 HydrophobicContact CD1-CG2 4.19Å; I3482-T3496 VanDerWaalsContact CD1-OG1 3.29Å; I3482-T3496 WeakPolarHBondContact CD1-OG1 3.28Å; I3482-L3499 HydrophobicContact CD1-CD1 3.56Å; I3482-L3499 HydrophobicContact CG1-CD1 4.21Å; I3482-L3517 HydrophobicContact CG1-CD1 4.17Å; I3482-V3521 HydrophobicContact CG1-CG2 4.08Å; I3482-V3521 HydrophobicContact CG2-CG2 4.28Å |
| 3483 | Q | 89.1 | Confident | 84.7 | Confident | 86 Ų | 86 | 64.5 Ų | 64.5 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -27.3 | 175.5 | -163.6 | 173.2 | 20.9 | 0 | 0 | 113.1 | F3479 R3481 T3492 | F3479-Q3483 VanDerWaalsContact O-CB 3.27Å; F3479-Q3483 WeakPolarHBondContact O-CB 3.43Å; F3479-Q3483 PolarHBondContact O-N 2.87Å; R3481-Q3483 VanDerWaalsContact C-N 3.32Å; R3481-Q3483 PolarHBondContact O-N 3.25Å; Q3483-T3492 HydrophobicContact CB-CG2 3.99Å |
| 3484 | S | 85.4 | Confident | 85.3 | Confident | 79.5 Ų | 79.5 | 64.7 Ų | 64.7 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -78.4 | -20.1 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 114 | R3481 I3482 | R3481-S3484 PolarHBondContact NH1-OG 3Å; R3481-S3484 PolarHBondContact O-N 3.11Å; R3481-S3484 VanDerWaalsContact O-N 3.12Å; R3481-S3484 PolarHBondContact O-OG 3.18Å; I3482-S3484 PolarHBondContact O-N 2.84Å |
| 3485 | L | 83.9 | Confident | 85.8 | Confident | 66.5 Ų | 66.5 | 63 Ų | 63 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -93.4 | -41.1 | 175.6 | -63.3 | 170.5 | 0 | 0 | 0 | 111.7 | R3481 I3482 L3517 V3521 | R3481-L3485 PolarHBondContact O-N 3.49Å; I3482-L3485 PolarHBondContact O-N 3.17Å; L3485-L3517 HydrophobicContact CD1-CD2 4.06Å; L3485-L3517 HydrophobicContact CD1-CG 4.15Å; L3485-V3521 HydrophobicContact CD1-CG2 4.45Å |
| 3486 | V | 80.8 | Confident | 86.1 | Confident | 19.5 Ų | 19.5 | 63 Ų | 63 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | trans | -109.2 | 101.2 | -173.4 | 178.9 | 0 | 0 | 0 | 0 | 109 | I3482 N3488 L3491 T3492 I3495 V3521 | I3482-V3486 HydrophobicContact CG2-CB 4.38Å; I3482-V3486 HydrophobicContact CG2-CG2 4.08Å; I3482-V3486 WeakPolarHBondContact O-CB 3.32Å; I3482-V3486 PolarHBondContact O-N 3.09Å; V3486-N3488 HydrophobicContact CG1-CB 4.45Å; V3486-N3488 PolarHBondContact O-N 2.93Å; V3486-L3491 HydrophobicContact CG1-CB 4.08Å; V3486-L3491 HydrophobicContact CG1-CD2 3.8Å; V3486-L3491 HydrophobicContact CG1-CG 4.44Å; V3486-T3492 PolarHBondContact O-OG1 2.94Å; V3486-I3495 HydrophobicContact CG2-CD1 4.45Å; V3486-V3521 HydrophobicContact CG2-CG1 3.61Å | ||
| 3487 | R | 76.8 | Confident | 86.4 | Confident | 235.5 Ų | 235.5 | 61.2 Ų | 61.2 | 89% | 0.889 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -69.1 | 22.9 | -178.9 | -58.4 | -176.1 | -178.2 | 177.2 | 0.9 | 114.9 | N2871 | N2871-R3487 PolarHBondContact OD1-NH2 3.39Š|
| 3488 | N | 82.1 | Confident | 86.6 | Confident | 84.5 Ų | 84.5 | 53.2 Ų | 53.2 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | trans | -135 | 119.6 | 180 | 179.5 | -40.6 | 0 | 0 | 0 | 109.3 | V3486 H3490 L3491 T3492 | V3486-N3488 HydrophobicContact CG1-CB 4.45Å; V3486-N3488 PolarHBondContact O-N 2.93Å; N3488-H3490 PolarHBondContact OD1-N 3.15Å; N3488-L3491 HydrophobicContact CB-CB 4Å; N3488-L3491 PolarHBondContact O-N 3.02Å; N3488-L3491 PolarHBondContact OD1-N 3.08Å; N3488-T3492 VanDerWaalsContact O-CB 3.32Å; N3488-T3492 WeakPolarHBondContact O-CB 3.35Å; N3488-T3492 PolarHBondContact O-N 3.06Å; N3488-T3492 PolarHBondContact O-OG1 2.85Å | ||
| 3489 | E | 81.3 | Confident | 86.7 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | -172.8 | -175.1 | 171.1 | -168.5 | 0 | 0 | 113.3 | F3479 L3491 T3492 A3493 | F3479-E3489 HydrophobicContact CZ-CG 4.36Å; E3489-L3491 VanDerWaalsContact C-N 3.33Å; E3489-L3491 PolarHBondContact O-N 3.34Å; E3489-T3492 WeakPolarHBondContact O-CB 3.34Å; E3489-T3492 PolarHBondContact O-N 3.06Å; E3489-A3493 PolarHBondContact O-N 3.46Å |
| 3490 | H | 83.2 | Confident | 86.5 | Confident | 122.5 Ų | 122.5 | 55 Ų | 55 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.3 | -36.2 | -179.7 | -160.7 | -94.7 | 0 | 0 | 0 | 111.5 | Y3355 N3488 A3493 R3494 | Y3355-H3490 PolarHBondContact OH-CD2 3.32Å; Y3355-H3490 VanDerWaalsContact OH-CD2 3.26Å; Y3355-H3490 PolarHBondContact OH-NE2 2.86Å; N3488-H3490 PolarHBondContact OD1-N 3.15Å; H3490-A3493 PolarHBondContact O-N 2.94Å; H3490-R3494 PolarHBondContact O-N 2.73Å; H3490-R3494 VanDerWaalsContact O-N 3.09Å |
| 3491 | L | 86.7 | Confident | 86.5 | Confident | 44.5 Ų | 44.5 | 55.1 Ų | 55.1 | 23% | 0.233 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 173.8 | -151.8 | 158.9 | 0 | 0 | 0 | 110.8 | V3486 N3488 E3489 A3493 R3494 I3495 I3528 | V3486-L3491 HydrophobicContact CG1-CB 4.08Å; V3486-L3491 HydrophobicContact CG1-CD2 3.8Å; V3486-L3491 HydrophobicContact CG1-CG 4.44Å; N3488-L3491 HydrophobicContact CB-CB 4Å; N3488-L3491 PolarHBondContact O-N 3.02Å; N3488-L3491 PolarHBondContact OD1-N 3.08Å; E3489-L3491 VanDerWaalsContact C-N 3.33Å; E3489-L3491 PolarHBondContact O-N 3.34Å; L3491-A3493 VanDerWaalsContact C-N 3.34Å; L3491-A3493 PolarHBondContact O-N 2.86Å; L3491-R3494 PolarHBondContact O-N 3.21Å; L3491-I3495 HydrophobicContact CD2-CD1 3.35Å; L3491-I3495 HydrophobicContact CD2-CG1 3.87Å; L3491-I3495 WeakPolarHBondContact O-CB 3.43Å; L3491-I3495 WeakPolarHBondContact O-CG1 3.35Å; L3491-I3495 PolarHBondContact O-N 3.06Å; L3491-I3528 HydrophobicContact CD2-CD1 4.5Å |
| 3492 | T | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 172.1 | -65.7 | 0 | 0 | 0 | 0 | 112 | F3479 I3482 Q3483 V3486 N3488 E3489 T3496 | F3479-T3492 HydrophobicContact CD1-CG2 4.43Å; F3479-T3492 HydrophobicContact CD2-CG2 3.9Å; F3479-T3492 HydrophobicContact CE1-CG2 4.32Å; F3479-T3492 HydrophobicContact CE2-CG2 3.8Å; F3479-T3492 HydrophobicContact CG-CG2 4.23Å; F3479-T3492 HydrophobicContact CZ-CG2 4.02Å; I3482-T3492 HydrophobicContact CB-CG2 4.16Å; I3482-T3492 HydrophobicContact CG2-CG2 3.95Å; Q3483-T3492 HydrophobicContact CB-CG2 3.99Å; V3486-T3492 PolarHBondContact O-OG1 2.94Å; N3488-T3492 VanDerWaalsContact O-CB 3.32Å; N3488-T3492 WeakPolarHBondContact O-CB 3.35Å; N3488-T3492 PolarHBondContact O-N 3.06Å; N3488-T3492 PolarHBondContact O-OG1 2.85Å; E3489-T3492 WeakPolarHBondContact O-CB 3.34Å; E3489-T3492 PolarHBondContact O-N 3.06Å; T3492-T3496 VanDerWaalsContact O-CB 3.31Å; T3492-T3496 WeakPolarHBondContact O-CB 3.35Å; T3492-T3496 PolarHBondContact O-N 3.17Å; T3492-T3496 PolarHBondContact O-OG1 2.98Å |
| 3493 | A | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P3353 F3354 Y3355 F3479 E3489 H3490 L3491 T3496 G3497 | P3353-A3493 CarbonylContact C-O 3.54Å; P3353-A3493 WeakPolarHBondContact CA-O 3.33Å; P3353-A3493 HydrophobicContact CB-CB 4.04Å; F3354-A3493 PolarHBondContact N-O 2.88Å; F3354-A3493 WeakPolarHBondContact O-CA 3.44Å; F3354-A3493 WeakPolarHBondContact O-CB 3.42Å; Y3355-A3493 HydrophobicContact CD1-CB 4.04Å; Y3355-A3493 HydrophobicContact CD2-CB 4.33Å; Y3355-A3493 HydrophobicContact CE1-CB 3.59Å; Y3355-A3493 HydrophobicContact CE2-CB 4.04Å; Y3355-A3493 HydrophobicContact CG-CB 4.39Å; F3479-A3493 HydrophobicContact CE2-CB 4.13Å; E3489-A3493 PolarHBondContact O-N 3.46Å; H3490-A3493 PolarHBondContact O-N 2.94Å; L3491-A3493 VanDerWaalsContact C-N 3.34Å; L3491-A3493 PolarHBondContact O-N 2.86Å; A3493-T3496 PolarHBondContact O-N 3.12Å; A3493-G3497 PolarHBondContact O-N 3.47Å |
| 3494 | R | 87.2 | Confident | 85.6 | Confident | 67.5 Ų | 67.5 | 54 Ų | 54 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | 177.2 | -159.4 | 171.2 | -179.5 | -169.2 | -3.2 | 111.2 | H3490 L3491 T3496 G3497 M3498 I3528 D3532 | H3490-R3494 PolarHBondContact O-N 2.73Å; H3490-R3494 VanDerWaalsContact O-N 3.09Å; L3491-R3494 PolarHBondContact O-N 3.21Å; R3494-T3496 PolarHBondContact O-N 2.95Å; R3494-G3497 PolarHBondContact O-N 3.45Å; R3494-M3498 WeakPolarHBondContact O-CG 3.42Å; R3494-M3498 PolarHBondContact O-N 3.08Å; R3494-I3528 HydrophobicContact CB-CD1 4.19Å; R3494-I3528 HydrophobicContact CG-CD1 3.97Å; R3494-I3528 HydrophobicContact CG-CG1 4.43Å; R3494-D3532 IonicContact CZ-OD1 2.99Å; R3494-D3532 VanDerWaalsContact CZ-OD1 3.29Å; R3494-D3532 IonicContact CZ-OD2 3.38Å; R3494-D3532 VanDerWaalsContact NH1-CG 3.27Å; R3494-D3532 IonicContact NH1-OD1 3.06Å; R3494-D3532 PolarHBondContact NH1-OD1 3.4Å; R3494-D3532 IonicContact NH1-OD2 3.8Å; R3494-D3532 PolarHBondContact NH1-OD2 3.2Å; R3494-D3532 IonicContact NH2-OD1 3.37Å; R3494-D3532 PolarHBondContact NH2-OD1 3.06Å; R3494-D3532 IonicContact NH2-OD2 3.28Å |
| 3495 | I | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.3 | -70.2 | -173.6 | 0 | 0 | 0 | 112.1 | I3482 V3486 L3491 G3497 M3498 L3499 V3521 A3524 R3525 I3528 | I3482-I3495 HydrophobicContact CD1-CG2 4.45Å; I3482-I3495 HydrophobicContact CG2-CB 4.43Å; I3482-I3495 HydrophobicContact CG2-CG2 4Å; V3486-I3495 HydrophobicContact CG2-CD1 4.45Å; L3491-I3495 HydrophobicContact CD2-CD1 3.35Å; L3491-I3495 HydrophobicContact CD2-CG1 3.87Å; L3491-I3495 WeakPolarHBondContact O-CB 3.43Å; L3491-I3495 WeakPolarHBondContact O-CG1 3.35Å; L3491-I3495 PolarHBondContact O-N 3.06Å; I3495-G3497 VanDerWaalsContact C-N 3.27Å; I3495-G3497 PolarHBondContact O-N 3.11Å; I3495-M3498 PolarHBondContact O-N 2.92Å; I3495-L3499 HydrophobicContact CG2-CD1 3.75Å; I3495-L3499 HydrophobicContact CG2-CG 4.27Å; I3495-L3499 WeakPolarHBondContact O-CG 3.31Å; I3495-L3499 PolarHBondContact O-N 3.05Å; I3495-V3521 HydrophobicContact CD1-CG1 4.07Å; I3495-V3521 HydrophobicContact CG2-CB 4.48Å; I3495-V3521 HydrophobicContact CG2-CG1 4.39Å; I3495-V3521 HydrophobicContact CG2-CG2 4.07Å; I3495-A3524 HydrophobicContact CB-CB 4.28Å; I3495-A3524 HydrophobicContact CD1-CB 4.02Å; I3495-A3524 HydrophobicContact CG1-CB 3.75Å; I3495-A3524 HydrophobicContact CG2-CB 3.91Å; I3495-R3525 HydrophobicContact CD1-CB 4.13Å; I3495-I3528 HydrophobicContact CD1-CD1 4.43Å; I3495-I3528 HydrophobicContact CG1-CD1 3.69Å |
| 3496 | T | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 177.3 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | F3354 L3478 F3479 I3482 T3492 A3493 R3494 L3500 | F3354-T3496 HydrophobicContact CB-CG2 3.96Å; F3354-T3496 HydrophobicContact CD1-CG2 3.6Å; F3354-T3496 HydrophobicContact CE1-CG2 4.44Å; F3354-T3496 HydrophobicContact CG-CG2 4.01Å; L3478-T3496 HydrophobicContact CB-CG2 4.26Å; F3479-T3496 HydrophobicContact CB-CG2 4.07Å; F3479-T3496 HydrophobicContact CD2-CG2 4.38Å; I3482-T3496 HydrophobicContact CD1-CG2 4.19Å; I3482-T3496 VanDerWaalsContact CD1-OG1 3.29Å; I3482-T3496 WeakPolarHBondContact CD1-OG1 3.28Å; T3492-T3496 VanDerWaalsContact O-CB 3.31Å; T3492-T3496 WeakPolarHBondContact O-CB 3.35Å; T3492-T3496 PolarHBondContact O-N 3.17Å; T3492-T3496 PolarHBondContact O-OG1 2.98Å; A3493-T3496 PolarHBondContact O-N 3.12Å; R3494-T3496 PolarHBondContact O-N 2.95Å; T3496-L3500 HydrophobicContact CG2-CD1 4.17Å; T3496-L3500 WeakPolarHBondContact O-CB 3.35Å; T3496-L3500 WeakPolarHBondContact O-CD1 3.47Å; T3496-L3500 VanDerWaalsContact O-CG 3.3Å; T3496-L3500 WeakPolarHBondContact O-CG 3.27Å; T3496-L3500 PolarHBondContact O-N 3.18Å; T3496-L3500 VanDerWaalsContact O-N 3.08Å |
| 3497 | G | 89.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -50.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P3352 A3493 R3494 I3495 L3499 L3500 | P3352-G3497 VanDerWaalsContact O-CA 3.27Å; P3352-G3497 WeakPolarHBondContact O-CA 3.32Å; A3493-G3497 PolarHBondContact O-N 3.47Å; R3494-G3497 PolarHBondContact O-N 3.45Å; I3495-G3497 VanDerWaalsContact C-N 3.27Å; I3495-G3497 PolarHBondContact O-N 3.11Å; G3497-L3499 VanDerWaalsContact C-N 3.35Å; G3497-L3499 PolarHBondContact O-N 3.17Å; G3497-L3500 PolarHBondContact O-N 2.97Å; G3497-L3500 VanDerWaalsContact O-N 3.15Å |
| 3498 | M | 90.4 | Very high | 85.9 | Confident | 1.5 Ų | 1.5 | 45.7 Ų | 45.7 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 178.3 | -64 | 173.7 | 68.4 | 0 | 0 | 112.6 | L3347 S3348 T3349 A3351 R3494 I3495 L3500 E3501 A3524 L3527 I3528 | L3347-M3498 HydrophobicContact CB-CB 4.49Å; L3347-M3498 HydrophobicContact CB-CE 3.9Å; L3347-M3498 HydrophobicContact CD2-CB 4.48Å; S3348-M3498 WeakPolarHBondContact O-CG 3.26Å; T3349-M3498 HydrophobicContact CG2-CE 4.45Å; A3351-M3498 HydrophobicContact CB-CB 4.41Å; A3351-M3498 HydrophobicContact CB-CG 4.01Å; R3494-M3498 WeakPolarHBondContact O-CG 3.42Å; R3494-M3498 PolarHBondContact O-N 3.08Å; I3495-M3498 PolarHBondContact O-N 2.92Å; M3498-L3500 VanDerWaalsContact C-N 3.33Å; M3498-L3500 PolarHBondContact O-N 3.11Å; M3498-E3501 PolarHBondContact O-N 3.42Å; M3498-A3524 HydrophobicContact CE-CB 3.96Å; M3498-A3524 HydrophobicContact SD-CB 4.06Å; M3498-L3527 HydrophobicContact CE-CB 4.05Å; M3498-L3527 HydrophobicContact CE-CD1 4.19Å; M3498-I3528 HydrophobicContact CE-CG1 4.49Å; M3498-I3528 HydrophobicContact SD-CD1 3.8Å; M3498-I3528 HydrophobicContact SD-CG1 3.83Å |
| 3499 | L | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.3 | -26.7 | 179.4 | -66.7 | 170.3 | 0 | 0 | 0 | 112.8 | L3347 I3482 I3495 G3497 E3501 L3502 H3507 L3510 L3517 R3520 V3521 | L3347-L3499 HydrophobicContact CD1-CD2 4.35Å; L3347-L3499 HydrophobicContact CD2-CD2 4Å; I3482-L3499 HydrophobicContact CD1-CD1 3.56Å; I3482-L3499 HydrophobicContact CG1-CD1 4.21Å; I3495-L3499 HydrophobicContact CG2-CD1 3.75Å; I3495-L3499 HydrophobicContact CG2-CG 4.27Å; I3495-L3499 WeakPolarHBondContact O-CG 3.31Å; I3495-L3499 PolarHBondContact O-N 3.05Å; G3497-L3499 VanDerWaalsContact C-N 3.35Å; G3497-L3499 PolarHBondContact O-N 3.17Å; L3499-E3501 VanDerWaalsContact C-N 3.27Å; L3499-E3501 PolarHBondContact O-N 3.28Å; L3499-L3502 HydrophobicContact CD2-CD1 3.9Å; L3499-L3502 VanDerWaalsContact O-CB 3.31Å; L3499-L3502 WeakPolarHBondContact O-CB 3.39Å; L3499-L3502 WeakPolarHBondContact O-CG 3.37Å; L3499-L3502 PolarHBondContact O-N 3.16Å; L3499-H3507 PolarHBondContact O-CD2 2.9Å; L3499-H3507 PolarHBondContact O-NE2 3.47Å; L3499-L3510 HydrophobicContact CD2-CD1 4.31Å; L3499-L3517 HydrophobicContact CD1-CD1 4.15Å; L3499-R3520 HydrophobicContact CD2-CB 3.7Å; L3499-V3521 HydrophobicContact CD1-CG2 4.15Å |
| 3500 | L | 87.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.5 | -15.8 | 176.1 | -80.3 | 168 | 0 | 0 | 0 | 114 | F3354 V3474 L3478 T3496 G3497 M3498 L3502 H3507 | F3354-L3500 HydrophobicContact CB-CD1 3.78Å; F3354-L3500 HydrophobicContact CD1-CD1 4.3Å; F3354-L3500 HydrophobicContact CD2-CD1 3.4Å; F3354-L3500 VanDerWaalsContact CD2-CD1 3.4Å; F3354-L3500 HydrophobicContact CE2-CD1 4.04Å; F3354-L3500 HydrophobicContact CG-CD1 3.55Å; V3474-L3500 HydrophobicContact CG1-CD2 4.37Å; L3478-L3500 HydrophobicContact CD1-CD2 4.42Å; T3496-L3500 HydrophobicContact CG2-CD1 4.17Å; T3496-L3500 WeakPolarHBondContact O-CB 3.35Å; T3496-L3500 WeakPolarHBondContact O-CD1 3.47Å; T3496-L3500 VanDerWaalsContact O-CG 3.3Å; T3496-L3500 WeakPolarHBondContact O-CG 3.27Å; T3496-L3500 PolarHBondContact O-N 3.18Å; T3496-L3500 VanDerWaalsContact O-N 3.08Å; G3497-L3500 PolarHBondContact O-N 2.97Å; G3497-L3500 VanDerWaalsContact O-N 3.15Å; M3498-L3500 VanDerWaalsContact C-N 3.33Å; M3498-L3500 PolarHBondContact O-N 3.11Å; L3500-L3502 VanDerWaalsContact C-N 3.3Å; L3500-H3507 PolarHBondContact O-CE1 3.33Å |
| 3501 | E | 85.3 | Confident | 86.4 | Confident | 94.5 Ų | 94.5 | 37.7 Ų | 37.7 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.3 | 170.1 | -66.5 | -160.3 | 179.6 | 0 | 0 | 113.7 | S3348 A3351 M3498 L3499 | S3348-E3501 VanDerWaalsContact CB-OE2 3.26Å; S3348-E3501 WeakPolarHBondContact CB-OE2 3.36Å; A3351-E3501 WeakPolarHBondContact CA-OE1 3.41Å; A3351-E3501 HydrophobicContact CB-CG 4.05Å; A3351-E3501 WeakPolarHBondContact CB-OE1 3.36Å; M3498-E3501 PolarHBondContact O-N 3.42Å; L3499-E3501 VanDerWaalsContact C-N 3.27Å; L3499-E3501 PolarHBondContact O-N 3.28Å |
| 3502 | L | 85.1 | Confident | 86.4 | Confident | 8.5 Ų | 8.5 | 41.2 Ų | 41.2 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -67.3 | 154 | 174.9 | -65.1 | 175.5 | 0 | 0 | 0 | 111.9 | L3347 L3499 L3500 E3506 H3507 L3510 | L3347-L3502 HydrophobicContact CD2-CD1 4Å; L3347-L3502 HydrophobicContact CD2-CD2 3.84Å; L3347-L3502 HydrophobicContact CD2-CG 3.87Å; L3499-L3502 HydrophobicContact CD2-CD1 3.9Å; L3499-L3502 VanDerWaalsContact O-CB 3.31Å; L3499-L3502 WeakPolarHBondContact O-CB 3.39Å; L3499-L3502 WeakPolarHBondContact O-CG 3.37Å; L3499-L3502 PolarHBondContact O-N 3.16Å; L3500-L3502 VanDerWaalsContact C-N 3.3Å; L3502-E3506 HydrophobicContact CB-CB 4.34Å; L3502-H3507 PolarHBondContact O-CE1 3Å; L3502-H3507 PolarHBondContact O-NE2 2.75Å; L3502-H3507 VanDerWaalsContact O-NE2 3.09Å; L3502-L3510 HydrophobicContact CD1-CD1 3.71Å |
| 3503 | P | 84.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 44.3 Ų | 44.3 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | trans | -61.7 | 143.2 | 175.5 | 2.9 | -0.8 | 0 | 0 | 0 | 111.7 | S3505 E3506 H3507 | P3503-S3505 PolarHBondContact O-N 3.26Å; P3503-E3506 HydrophobicContact CG-CB 4.45Å; P3503-E3506 HydrophobicContact CG-CG 4.08Å; P3503-E3506 WeakPolarHBondContact O-CB 3.3Å; P3503-E3506 PolarHBondContact O-N 3.19Å; P3503-H3507 PolarHBondContact O-N 3.46Å | ||
| 3504 | S | 76.7 | Confident | 86.1 | Confident | 98.5 Ų | 98.5 | 49.1 Ų | 49.1 | 69% | 0.689 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.7 | -16.5 | -174.6 | -47.5 | 0 | 0 | 0 | 0 | 115.4 | S3508 | S3504-S3508 PolarHBondContact O-N 2.95Å |
| 3505 | S | 82 | Confident | 86 | Confident | 89 Ų | 89 | 52 Ų | 52 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.2 | -38 | 168.5 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | P3503 S3508 | P3503-S3505 PolarHBondContact O-N 3.26Å; S3505-S3508 PolarHBondContact O-N 2.87Å |
| 3506 | E | 82.9 | Confident | 85.6 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.4 | -35.3 | 175.2 | -69.1 | -172.7 | -132.7 | 0 | 0 | 111.1 | L3502 P3503 S3508 V3509 L3510 R3520 | L3502-E3506 HydrophobicContact CB-CB 4.34Å; P3503-E3506 HydrophobicContact CG-CB 4.45Å; P3503-E3506 HydrophobicContact CG-CG 4.08Å; P3503-E3506 WeakPolarHBondContact O-CB 3.3Å; P3503-E3506 PolarHBondContact O-N 3.19Å; E3506-S3508 VanDerWaalsContact C-N 3.26Å; E3506-S3508 PolarHBondContact O-N 3.02Å; E3506-V3509 WeakPolarHBondContact O-CA 3.44Å; E3506-V3509 WeakPolarHBondContact O-CB 3.29Å; E3506-V3509 PolarHBondContact O-N 3.04Å; E3506-L3510 WeakPolarHBondContact O-CG 3.26Å; E3506-L3510 PolarHBondContact O-N 3.28Å; E3506-R3520 IonicContact OE1-NH2 3.29Å; E3506-R3520 IonicContact OE2-CZ 3.34Å; E3506-R3520 IonicContact OE2-NE 2.99Å; E3506-R3520 IonicContact OE2-NH2 2.84Å; E3506-R3520 PolarHBondContact OE2-NH2 3.18Å |
| 3507 | H | 86 | Confident | 85.6 | Confident | 14.5 Ų | 14.5 | 53.2 Ų | 53.2 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.7 | -35.9 | 175.6 | -62.2 | 156.1 | 0 | 0 | 0 | 113.3 | V3474 L3499 L3500 L3502 P3503 V3509 L3510 L3511 | V3474-H3507 HydrophobicContact CG1-CB 3.73Å; L3499-H3507 PolarHBondContact O-CD2 2.9Å; L3499-H3507 PolarHBondContact O-NE2 3.47Å; L3500-H3507 PolarHBondContact O-CE1 3.33Å; L3502-H3507 PolarHBondContact O-CE1 3Å; L3502-H3507 PolarHBondContact O-NE2 2.75Å; L3502-H3507 VanDerWaalsContact O-NE2 3.09Å; P3503-H3507 PolarHBondContact O-N 3.46Å; H3507-V3509 VanDerWaalsContact C-N 3.32Å; H3507-V3509 PolarHBondContact O-N 2.95Å; H3507-L3510 PolarHBondContact O-N 3.08Å; H3507-L3511 WeakPolarHBondContact O-CB 3.46Å; H3507-L3511 VanDerWaalsContact O-CG 3.31Å; H3507-L3511 WeakPolarHBondContact O-CG 3.34Å; H3507-L3511 PolarHBondContact O-N 3.09Å; H3507-L3511 VanDerWaalsContact O-N 3.11Å |
| 3508 | S | 81.3 | Confident | 85.6 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 53% | 0.531 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 174.9 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | S3504 S3505 E3506 L3511 T3512 | S3504-S3508 PolarHBondContact O-N 2.95Å; S3505-S3508 PolarHBondContact O-N 2.87Å; E3506-S3508 VanDerWaalsContact C-N 3.26Å; E3506-S3508 PolarHBondContact O-N 3.02Å; S3508-L3511 PolarHBondContact O-N 3.35Å; S3508-T3512 WeakPolarHBondContact O-CG2 3.33Å; S3508-T3512 PolarHBondContact O-N 3.23Å; S3508-T3512 PolarHBondContact O-OG1 3.29Å |
| 3509 | V | 84.6 | Confident | 85.5 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -44 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | E3506 H3507 L3511 T3512 N3513 A3516 | E3506-V3509 WeakPolarHBondContact O-CA 3.44Å; E3506-V3509 WeakPolarHBondContact O-CB 3.29Å; E3506-V3509 PolarHBondContact O-N 3.04Å; H3507-V3509 VanDerWaalsContact C-N 3.32Å; H3507-V3509 PolarHBondContact O-N 2.95Å; V3509-L3511 VanDerWaalsContact C-N 3.26Å; V3509-L3511 PolarHBondContact O-N 3.22Å; V3509-T3512 WeakPolarHBondContact CA-OG1 3.39Å; V3509-T3512 PolarHBondContact O-N 2.82Å; V3509-T3512 VanDerWaalsContact O-N 3.14Å; V3509-T3512 PolarHBondContact O-OG1 3.23Å; V3509-N3513 HydrophobicContact CG1-CB 4.43Å; V3509-N3513 PolarHBondContact O-N 2.92Å; V3509-A3516 HydrophobicContact CG1-CB 4.38Å |
| 3510 | L | 87.6 | Confident | 85.4 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -23.9 | 178.3 | -64 | 170.9 | 0 | 0 | 0 | 113.5 | L3478 L3499 L3502 E3506 H3507 A3516 L3517 R3520 | L3478-L3510 HydrophobicContact CD2-CB 4.11Å; L3499-L3510 HydrophobicContact CD2-CD1 4.31Å; L3502-L3510 HydrophobicContact CD1-CD1 3.71Å; E3506-L3510 WeakPolarHBondContact O-CG 3.26Å; E3506-L3510 PolarHBondContact O-N 3.28Å; H3507-L3510 PolarHBondContact O-N 3.08Å; L3510-A3516 HydrophobicContact CD2-CB 4.32Å; L3510-A3516 WeakPolarHBondContact CD2-O 3.45Å; L3510-L3517 HydrophobicContact CB-CD1 4.32Å; L3510-L3517 HydrophobicContact CD2-CB 4.48Å; L3510-L3517 HydrophobicContact CD2-CD1 4.4Å; L3510-R3520 HydrophobicContact CD2-CB 4.16Å; L3510-R3520 HydrophobicContact CD2-CG 3.82Å |
| 3511 | L | 85.7 | Confident | 85.6 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 29% | 0.293 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -7.7 | 173.6 | -72 | 174.6 | 0 | 0 | 0 | 114 | V3474 R3477 L3478 H3507 S3508 V3509 | V3474-L3511 HydrophobicContact CG1-CD1 4.32Å; R3477-L3511 HydrophobicContact CB-CD1 4.31Å; R3477-L3511 HydrophobicContact CB-CD2 3.76Å; L3478-L3511 HydrophobicContact CD2-CD2 3.79Å; L3478-L3511 HydrophobicContact CD2-CG 4.02Å; L3478-L3511 HydrophobicContact CG-CD2 4.07Å; L3478-L3511 HydrophobicContact CG-CG 4.36Å; H3507-L3511 WeakPolarHBondContact O-CB 3.46Å; H3507-L3511 VanDerWaalsContact O-CG 3.31Å; H3507-L3511 WeakPolarHBondContact O-CG 3.34Å; H3507-L3511 PolarHBondContact O-N 3.09Å; H3507-L3511 VanDerWaalsContact O-N 3.11Å; S3508-L3511 PolarHBondContact O-N 3.35Å; V3509-L3511 VanDerWaalsContact C-N 3.26Å; V3509-L3511 PolarHBondContact O-N 3.22Å |
| 3512 | T | 85.8 | Confident | 85.7 | Confident | 116.5 Ų | 116.5 | 59 Ų | 59 | 72% | 0.715 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -23.5 | -179.7 | 50.1 | 0 | 0 | 0 | 0 | 114 | S3508 V3509 | S3508-T3512 WeakPolarHBondContact O-CG2 3.33Å; S3508-T3512 PolarHBondContact O-N 3.23Å; S3508-T3512 PolarHBondContact O-OG1 3.29Å; V3509-T3512 WeakPolarHBondContact CA-OG1 3.39Å; V3509-T3512 PolarHBondContact O-N 2.82Å; V3509-T3512 VanDerWaalsContact O-N 3.14Å; V3509-T3512 PolarHBondContact O-OG1 3.23Å |
| 3513 | N | 86.9 | Confident | 85.8 | Confident | 65.5 Ų | 65.5 | 61.7 Ų | 61.7 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | trans | -119.7 | 108.2 | 175.9 | -178.1 | -8.1 | 0 | 0 | 0 | 110.3 | V3509 E3515 A3516 L3517 | V3509-N3513 HydrophobicContact CG1-CB 4.43Å; V3509-N3513 PolarHBondContact O-N 2.92Å; N3513-E3515 WeakPolarHBondContact OD1-CB 3.32Å; N3513-E3515 PolarHBondContact OD1-N 3.42Å; N3513-A3516 HydrophobicContact CB-CB 3.91Å; N3513-A3516 PolarHBondContact O-N 3.13Å; N3513-A3516 PolarHBondContact OD1-N 2.95Å; N3513-A3516 VanDerWaalsContact OD1-N 3.11Å; N3513-L3517 PolarHBondContact O-N 3.39Å; N3513-L3517 VanDerWaalsContact O-N 3.12Å | ||
| 3514 | E | 86.7 | Confident | 86.1 | Confident | 101.5 Ų | 101.5 | 58.7 Ų | 58.7 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.7 | -32.5 | -179 | -164.9 | 160.8 | 171.7 | 0 | 0 | 112.6 | R3481 L3517 C3518 | R3481-E3514 IonicContact CZ-OE1 2.83Å; R3481-E3514 VanDerWaalsContact CZ-OE1 3.26Å; R3481-E3514 IonicContact CZ-OE2 3.74Å; R3481-E3514 IonicContact NH1-OE1 3.21Å; R3481-E3514 PolarHBondContact NH1-OE1 3.17Å; R3481-E3514 VanDerWaalsContact NH1-OE1 3.13Å; R3481-E3514 IonicContact NH1-OE2 2.72Å; R3481-E3514 PolarHBondContact NH1-OE2 3.46Å; R3481-E3514 IonicContact NH2-OE1 2.77Å; R3481-E3514 PolarHBondContact NH2-OE1 3.36Å; R3481-E3514 IonicContact NH2-OE2 3.1Å; R3481-E3514 PolarHBondContact NH2-OE2 3Å; E3514-L3517 WeakPolarHBondContact O-CB 3.38Å; E3514-L3517 PolarHBondContact O-N 3.37Å; E3514-C3518 PolarHBondContact O-N 2.8Å; E3514-C3518 PolarHBondContact O-SG 3.13Å |
| 3515 | E | 83.4 | Confident | 86.6 | Confident | 128.5 Ų | 128.5 | 60.5 Ų | 60.5 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.8 | -40 | 174.9 | -175.4 | -179.4 | -158 | 0 | 0 | 111.3 | N3513 L3517 C3518 N3519 | N3513-E3515 WeakPolarHBondContact OD1-CB 3.32Å; N3513-E3515 PolarHBondContact OD1-N 3.42Å; E3515-L3517 VanDerWaalsContact C-N 3.3Å; E3515-L3517 PolarHBondContact O-N 3.18Å; E3515-C3518 PolarHBondContact O-N 3.13Å; E3515-N3519 WeakPolarHBondContact O-CB 3.37Å; E3515-N3519 VanDerWaalsContact O-CG 3.28Å; E3515-N3519 PolarHBondContact O-N 3.45Å; E3515-N3519 VanDerWaalsContact O-N 3.1Å; E3515-N3519 PolarHBondContact O-ND2 3.3Å |
| 3516 | A | 84.1 | Confident | 86.6 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V3509 L3510 N3513 R3520 | V3509-A3516 HydrophobicContact CG1-CB 4.38Å; L3510-A3516 HydrophobicContact CD2-CB 4.32Å; L3510-A3516 WeakPolarHBondContact CD2-O 3.45Å; N3513-A3516 HydrophobicContact CB-CB 3.91Å; N3513-A3516 PolarHBondContact O-N 3.13Å; N3513-A3516 PolarHBondContact OD1-N 2.95Å; N3513-A3516 VanDerWaalsContact OD1-N 3.11Å; A3516-R3520 WeakPolarHBondContact O-CG 3.22Å; A3516-R3520 PolarHBondContact O-N 3.16Å |
| 3517 | L | 90.5 | Very high | 86.7 | Confident | 2.5 Ų | 2.5 | 59.1 Ų | 59.1 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -50 | 173 | -178.1 | 63.5 | 0 | 0 | 0 | 111.4 | L3478 R3481 I3482 L3485 L3499 L3510 N3513 E3514 E3515 N3519 R3520 V3521 | L3478-L3517 HydrophobicContact CD2-CD1 4.21Å; R3481-L3517 HydrophobicContact CB-CD2 3.82Å; R3481-L3517 HydrophobicContact CG-CD2 4.06Å; I3482-L3517 HydrophobicContact CG1-CD1 4.17Å; L3485-L3517 HydrophobicContact CD1-CD2 4.06Å; L3485-L3517 HydrophobicContact CD1-CG 4.15Å; L3499-L3517 HydrophobicContact CD1-CD1 4.15Å; L3510-L3517 HydrophobicContact CB-CD1 4.32Å; L3510-L3517 HydrophobicContact CD2-CB 4.48Å; L3510-L3517 HydrophobicContact CD2-CD1 4.4Å; N3513-L3517 PolarHBondContact O-N 3.39Å; N3513-L3517 VanDerWaalsContact O-N 3.12Å; E3514-L3517 WeakPolarHBondContact O-CB 3.38Å; E3514-L3517 PolarHBondContact O-N 3.37Å; E3515-L3517 VanDerWaalsContact C-N 3.3Å; E3515-L3517 PolarHBondContact O-N 3.18Å; L3517-N3519 PolarHBondContact O-N 3.12Å; L3517-R3520 PolarHBondContact O-N 3.16Å; L3517-V3521 HydrophobicContact CD1-CG2 4.09Å; L3517-V3521 HydrophobicContact CG-CG2 4.23Å; L3517-V3521 WeakPolarHBondContact O-CB 3.41Å; L3517-V3521 VanDerWaalsContact O-CG2 3.25Å; L3517-V3521 WeakPolarHBondContact O-CG2 3.43Å; L3517-V3521 PolarHBondContact O-N 3.05Å |
| 3518 | C | 90.4 | Very high | 86.5 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 25% | 0.25 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.6 | -52.4 | 177.6 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | E3514 E3515 R3520 V3521 D3522 | E3514-C3518 PolarHBondContact O-N 2.8Å; E3514-C3518 PolarHBondContact O-SG 3.13Å; E3515-C3518 PolarHBondContact O-N 3.13Å; C3518-R3520 VanDerWaalsContact C-N 3.27Å; C3518-R3520 PolarHBondContact O-N 2.92Å; C3518-R3520 VanDerWaalsContact O-N 3.14Å; C3518-V3521 WeakPolarHBondContact O-CA 3.45Å; C3518-V3521 WeakPolarHBondContact O-CB 3.26Å; C3518-V3521 PolarHBondContact O-N 3.14Å; C3518-D3522 PolarHBondContact O-N 3.07Å |
| 3519 | N | 87.8 | Confident | 86.5 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.8 | -38.2 | 179.9 | -74 | -46 | 0 | 0 | 0 | 113 | E3515 L3517 E3523 | E3515-N3519 WeakPolarHBondContact O-CB 3.37Å; E3515-N3519 VanDerWaalsContact O-CG 3.28Å; E3515-N3519 PolarHBondContact O-N 3.45Å; E3515-N3519 VanDerWaalsContact O-N 3.1Å; E3515-N3519 PolarHBondContact O-ND2 3.3Å; L3517-N3519 PolarHBondContact O-N 3.12Å; N3519-E3523 WeakPolarHBondContact O-CB 3.4Å; N3519-E3523 PolarHBondContact O-N 3.16Å |
| 3520 | R | 87.4 | Confident | 85.9 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -78.9 | -28.6 | 176.7 | -66.6 | -61 | -144.1 | 158.8 | 13.5 | 113.6 | G3345 L3499 E3506 L3510 A3516 L3517 C3518 E3523 A3524 | G3345-R3520 VanDerWaalsContact O-CZ 3.25Å; G3345-R3520 PolarHBondContact O-NH1 3.23Å; G3345-R3520 PolarHBondContact O-NH2 3.19Å; L3499-R3520 HydrophobicContact CD2-CB 3.7Å; E3506-R3520 IonicContact OE1-NH2 3.29Å; E3506-R3520 IonicContact OE2-CZ 3.34Å; E3506-R3520 IonicContact OE2-NE 2.99Å; E3506-R3520 IonicContact OE2-NH2 2.84Å; E3506-R3520 PolarHBondContact OE2-NH2 3.18Å; L3510-R3520 HydrophobicContact CD2-CB 4.16Å; L3510-R3520 HydrophobicContact CD2-CG 3.82Å; A3516-R3520 WeakPolarHBondContact O-CG 3.22Å; A3516-R3520 PolarHBondContact O-N 3.16Å; L3517-R3520 PolarHBondContact O-N 3.16Å; C3518-R3520 VanDerWaalsContact C-N 3.27Å; C3518-R3520 PolarHBondContact O-N 2.92Å; C3518-R3520 VanDerWaalsContact O-N 3.14Å; R3520-E3523 WeakPolarHBondContact CD-OE2 3.45Å; R3520-E3523 IonicContact CZ-OE2 2.75Å; R3520-E3523 IonicContact NE-OE2 2.72Å; R3520-E3523 VanDerWaalsContact NH1-CD 3.35Å; R3520-E3523 IonicContact NH1-OE1 3.06Å; R3520-E3523 PolarHBondContact NH1-OE1 3Å; R3520-E3523 IonicContact NH1-OE2 3.13Å; R3520-E3523 PolarHBondContact NH1-OE2 3.13Å; R3520-A3524 WeakPolarHBondContact O-CB 3.37Å; R3520-A3524 PolarHBondContact O-N 3.1Å |
| 3521 | V | 92 | Very high | 85 | Confident | 4.5 Ų | 4.5 | 63.3 Ų | 63.3 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -40.8 | 171.4 | 167.2 | 0 | 0 | 0 | 0 | 110.3 | I3482 L3485 V3486 I3495 L3499 L3517 C3518 A3524 R3525 | I3482-V3521 HydrophobicContact CG1-CG2 4.08Å; I3482-V3521 HydrophobicContact CG2-CG2 4.28Å; L3485-V3521 HydrophobicContact CD1-CG2 4.45Å; V3486-V3521 HydrophobicContact CG2-CG1 3.61Å; I3495-V3521 HydrophobicContact CD1-CG1 4.07Å; I3495-V3521 HydrophobicContact CG2-CB 4.48Å; I3495-V3521 HydrophobicContact CG2-CG1 4.39Å; I3495-V3521 HydrophobicContact CG2-CG2 4.07Å; L3499-V3521 HydrophobicContact CD1-CG2 4.15Å; L3517-V3521 HydrophobicContact CD1-CG2 4.09Å; L3517-V3521 HydrophobicContact CG-CG2 4.23Å; L3517-V3521 WeakPolarHBondContact O-CB 3.41Å; L3517-V3521 VanDerWaalsContact O-CG2 3.25Å; L3517-V3521 WeakPolarHBondContact O-CG2 3.43Å; L3517-V3521 PolarHBondContact O-N 3.05Å; C3518-V3521 WeakPolarHBondContact O-CA 3.45Å; C3518-V3521 WeakPolarHBondContact O-CB 3.26Å; C3518-V3521 PolarHBondContact O-N 3.14Å; V3521-A3524 WeakPolarHBondContact O-CB 3.42Å; V3521-A3524 PolarHBondContact O-N 3.22Å; V3521-R3525 VanDerWaalsContact O-CB 3.31Å; V3521-R3525 WeakPolarHBondContact O-CB 3.39Å; V3521-R3525 PolarHBondContact O-N 3.11Å |
| 3522 | D | 88.4 | Confident | 84 | Confident | 85 Ų | 85 | 64 Ų | 64 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72 | -37.2 | 176.6 | -70 | -44.2 | 0 | 0 | 0 | 112.3 | C3518 A3524 R3525 A3526 | C3518-D3522 PolarHBondContact O-N 3.07Å; D3522-A3524 VanDerWaalsContact C-N 3.35Å; D3522-A3524 PolarHBondContact O-N 3.01Å; D3522-R3525 PolarHBondContact O-N 3.42Å; D3522-A3526 WeakPolarHBondContact O-CB 3.48Å; D3522-A3526 PolarHBondContact O-N 3Å |
| 3523 | E | 87.9 | Confident | 82.4 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.4 | -47.8 | 167.4 | -174.3 | -170.2 | 160.9 | 0 | 0 | 111.2 | L3347 N3519 R3520 R3525 A3526 L3527 | L3347-E3523 HydrophobicContact CD1-CB 4.17Å; L3347-E3523 HydrophobicContact CD1-CG 4Å; N3519-E3523 WeakPolarHBondContact O-CB 3.4Å; N3519-E3523 PolarHBondContact O-N 3.16Å; R3520-E3523 WeakPolarHBondContact CD-OE2 3.45Å; R3520-E3523 IonicContact CZ-OE2 2.75Å; R3520-E3523 IonicContact NE-OE2 2.72Å; R3520-E3523 VanDerWaalsContact NH1-CD 3.35Å; R3520-E3523 IonicContact NH1-OE1 3.06Å; R3520-E3523 PolarHBondContact NH1-OE1 3Å; R3520-E3523 IonicContact NH1-OE2 3.13Å; R3520-E3523 PolarHBondContact NH1-OE2 3.13Å; E3523-R3525 PolarHBondContact O-N 3.14Å; E3523-A3526 PolarHBondContact O-N 3.42Å; E3523-L3527 HydrophobicContact CG-CD1 4.24Å; E3523-L3527 WeakPolarHBondContact O-CB 3.36Å; E3523-L3527 VanDerWaalsContact O-CG 3.29Å; E3523-L3527 WeakPolarHBondContact O-CG 3.31Å; E3523-L3527 PolarHBondContact O-N 3.23Å |
| 3524 | A | 89.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3347 I3495 M3498 R3520 V3521 D3522 L3527 I3528 | L3347-A3524 HydrophobicContact CD1-CB 3.75Å; I3495-A3524 HydrophobicContact CB-CB 4.28Å; I3495-A3524 HydrophobicContact CD1-CB 4.02Å; I3495-A3524 HydrophobicContact CG1-CB 3.75Å; I3495-A3524 HydrophobicContact CG2-CB 3.91Å; M3498-A3524 HydrophobicContact CE-CB 3.96Å; M3498-A3524 HydrophobicContact SD-CB 4.06Å; R3520-A3524 WeakPolarHBondContact O-CB 3.37Å; R3520-A3524 PolarHBondContact O-N 3.1Å; V3521-A3524 WeakPolarHBondContact O-CB 3.42Å; V3521-A3524 PolarHBondContact O-N 3.22Å; D3522-A3524 VanDerWaalsContact C-N 3.35Å; D3522-A3524 PolarHBondContact O-N 3.01Å; A3524-L3527 PolarHBondContact O-N 3.07Å; A3524-I3528 VanDerWaalsContact O-CG1 3.31Å; A3524-I3528 WeakPolarHBondContact O-CG1 3.4Å; A3524-I3528 PolarHBondContact O-N 2.95Å |
| 3525 | R | 87.9 | Confident | 78.3 | Confident | 136.5 Ų | 136.5 | 68.1 Ų | 68.1 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 178.9 | -173.8 | 179 | 176.7 | -166.7 | -2.4 | 111.7 | I3495 V3521 D3522 E3523 L3527 I3528 T3529 | I3495-R3525 HydrophobicContact CD1-CB 4.13Å; V3521-R3525 VanDerWaalsContact O-CB 3.31Å; V3521-R3525 WeakPolarHBondContact O-CB 3.39Å; V3521-R3525 PolarHBondContact O-N 3.11Å; D3522-R3525 PolarHBondContact O-N 3.42Å; E3523-R3525 PolarHBondContact O-N 3.14Å; R3525-L3527 VanDerWaalsContact C-N 3.33Å; R3525-L3527 PolarHBondContact O-N 3.03Å; R3525-I3528 PolarHBondContact O-N 3.22Å; R3525-T3529 WeakPolarHBondContact O-CB 3.29Å; R3525-T3529 PolarHBondContact O-N 2.96Å; R3525-T3529 PolarHBondContact O-OG1 3.2Å; R3525-T3529 VanDerWaalsContact O-OG1 3.09Å |
| 3526 | A | 82.9 | Confident | 76.2 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D3522 E3523 I3528 T3529 M3530 | D3522-A3526 WeakPolarHBondContact O-CB 3.48Å; D3522-A3526 PolarHBondContact O-N 3Å; E3523-A3526 PolarHBondContact O-N 3.42Å; A3526-I3528 VanDerWaalsContact C-N 3.35Å; A3526-I3528 PolarHBondContact O-N 3.06Å; A3526-T3529 PolarHBondContact O-N 3.02Å; A3526-M3530 WeakPolarHBondContact O-CB 3.47Å; A3526-M3530 VanDerWaalsContact O-CG 3.25Å; A3526-M3530 WeakPolarHBondContact O-CG 3.29Å; A3526-M3530 PolarHBondContact O-N 2.99Å |
| 3527 | L | 83.6 | Confident | 73.7 | Confident | 57 Ų | 57 | 76 Ų | 76 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.7 | -73.6 | 169.5 | 0 | 0 | 0 | 113.1 | L3347 T3349 M3498 E3523 A3524 R3525 S3531 | L3347-L3527 HydrophobicContact CB-CD1 3.85Å; L3347-L3527 HydrophobicContact CD1-CD1 4.5Å; T3349-L3527 HydrophobicContact CG2-CB 3.92Å; M3498-L3527 HydrophobicContact CE-CB 4.05Å; M3498-L3527 HydrophobicContact CE-CD1 4.19Å; E3523-L3527 HydrophobicContact CG-CD1 4.24Å; E3523-L3527 WeakPolarHBondContact O-CB 3.36Å; E3523-L3527 VanDerWaalsContact O-CG 3.29Å; E3523-L3527 WeakPolarHBondContact O-CG 3.31Å; E3523-L3527 PolarHBondContact O-N 3.23Å; A3524-L3527 PolarHBondContact O-N 3.07Å; R3525-L3527 VanDerWaalsContact C-N 3.33Å; R3525-L3527 PolarHBondContact O-N 3.03Å; L3527-S3531 WeakPolarHBondContact O-CB 3.37Å; L3527-S3531 PolarHBondContact O-N 3.34Å; L3527-S3531 VanDerWaalsContact O-N 3.13Å; L3527-S3531 PolarHBondContact O-OG 3.26Å |
| 3528 | I | 83.6 | Confident | 70.8 | Confident | 8.5 Ų | 8.5 | 85.4 Ų | 85.4 | 4% | 0.044 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 172 | -71.2 | 164.9 | 0 | 0 | 0 | 110.3 | L3491 R3494 I3495 M3498 A3524 R3525 A3526 M3530 S3531 D3532 | L3491-I3528 HydrophobicContact CD2-CD1 4.5Å; R3494-I3528 HydrophobicContact CB-CD1 4.19Å; R3494-I3528 HydrophobicContact CG-CD1 3.97Å; R3494-I3528 HydrophobicContact CG-CG1 4.43Å; I3495-I3528 HydrophobicContact CD1-CD1 4.43Å; I3495-I3528 HydrophobicContact CG1-CD1 3.69Å; M3498-I3528 HydrophobicContact CE-CG1 4.49Å; M3498-I3528 HydrophobicContact SD-CD1 3.8Å; M3498-I3528 HydrophobicContact SD-CG1 3.83Å; A3524-I3528 VanDerWaalsContact O-CG1 3.31Å; A3524-I3528 WeakPolarHBondContact O-CG1 3.4Å; A3524-I3528 PolarHBondContact O-N 2.95Å; R3525-I3528 PolarHBondContact O-N 3.22Å; A3526-I3528 VanDerWaalsContact C-N 3.35Å; A3526-I3528 PolarHBondContact O-N 3.06Å; I3528-M3530 VanDerWaalsContact C-N 3.3Å; I3528-M3530 PolarHBondContact O-N 3.14Å; I3528-S3531 WeakPolarHBondContact O-CB 3.46Å; I3528-S3531 PolarHBondContact O-N 3.42Å; I3528-S3531 VanDerWaalsContact O-N 3.08Å; I3528-S3531 PolarHBondContact O-OG 2.96Å; I3528-S3531 VanDerWaalsContact O-OG 3.06Å; I3528-D3532 WeakPolarHBondContact CG2-OD2 3.4Å; I3528-D3532 PolarHBondContact O-N 3.29Å |
| 3529 | T | 80.2 | Confident | 68.1 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 52% | 0.515 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | -179.6 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | R3525 A3526 S3531 T3533 | R3525-T3529 WeakPolarHBondContact O-CB 3.29Å; R3525-T3529 PolarHBondContact O-N 2.96Å; R3525-T3529 PolarHBondContact O-OG1 3.2Å; R3525-T3529 VanDerWaalsContact O-OG1 3.09Å; A3526-T3529 PolarHBondContact O-N 3.02Å; T3529-S3531 VanDerWaalsContact C-N 3.33Å; T3529-T3533 WeakPolarHBondContact O-CG2 3.43Å; T3529-T3533 PolarHBondContact O-N 3.34Å; T3529-T3533 PolarHBondContact O-OG1 3.21Å |
| 3530 | M | 71.3 | Confident | 65.2 | Low | 138 Ų | 138 | 94 Ų | 94 | 68% | 0.68 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -75.6 | -15.4 | 175.7 | -68.1 | -124 | 175.9 | 0 | 0 | 114.4 | A3526 I3528 T3533 N3534 | A3526-M3530 WeakPolarHBondContact O-CB 3.47Å; A3526-M3530 VanDerWaalsContact O-CG 3.25Å; A3526-M3530 WeakPolarHBondContact O-CG 3.29Å; A3526-M3530 PolarHBondContact O-N 2.99Å; I3528-M3530 VanDerWaalsContact C-N 3.3Å; I3528-M3530 PolarHBondContact O-N 3.14Å; M3530-T3533 PolarHBondContact O-OG1 3.39Å; M3530-N3534 PolarHBondContact O-ND2 2.83Å |
| 3531 | S | 70.5 | Confident | 62.2 | Low | 31 Ų | 31 | 102 Ų | 102 | 22% | 0.217 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -93.5 | -44.3 | 177.5 | -8.4 | 0 | 0 | 0 | 0 | 112.1 | T3349 L3527 I3528 T3529 T3533 N3534 | T3349-S3531 WeakPolarHBondContact CB-OG 3.48Å; T3349-S3531 WeakPolarHBondContact CG2-OG 3.41Å; L3527-S3531 WeakPolarHBondContact O-CB 3.37Å; L3527-S3531 PolarHBondContact O-N 3.34Å; L3527-S3531 VanDerWaalsContact O-N 3.13Å; L3527-S3531 PolarHBondContact O-OG 3.26Å; I3528-S3531 WeakPolarHBondContact O-CB 3.46Å; I3528-S3531 PolarHBondContact O-N 3.42Å; I3528-S3531 VanDerWaalsContact O-N 3.08Å; I3528-S3531 PolarHBondContact O-OG 2.96Å; I3528-S3531 VanDerWaalsContact O-OG 3.06Å; T3529-S3531 VanDerWaalsContact C-N 3.33Å; S3531-T3533 VanDerWaalsContact C-N 3.32Å; S3531-T3533 PolarHBondContact O-N 3.32Å; S3531-N3534 WeakPolarHBondContact O-CB 3.09Å; S3531-N3534 PolarHBondContact O-N 2.96Å; S3531-N3534 VanDerWaalsContact O-N 3.1Å |
| 3532 | D | 63.3 | Low | 59.3 | Low | 71 Ų | 71 | 107.1 Ų | 107.1 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -26.5 | -177.9 | -65 | -12.7 | 0 | 0 | 0 | 111.7 | R3494 I3528 N3534 E3535 Q3536 | R3494-D3532 IonicContact CZ-OD1 2.99Å; R3494-D3532 VanDerWaalsContact CZ-OD1 3.29Å; R3494-D3532 IonicContact CZ-OD2 3.38Å; R3494-D3532 VanDerWaalsContact NH1-CG 3.27Å; R3494-D3532 IonicContact NH1-OD1 3.06Å; R3494-D3532 PolarHBondContact NH1-OD1 3.4Å; R3494-D3532 IonicContact NH1-OD2 3.8Å; R3494-D3532 PolarHBondContact NH1-OD2 3.2Å; R3494-D3532 IonicContact NH2-OD1 3.37Å; R3494-D3532 PolarHBondContact NH2-OD1 3.06Å; R3494-D3532 IonicContact NH2-OD2 3.28Å; I3528-D3532 WeakPolarHBondContact CG2-OD2 3.4Å; I3528-D3532 PolarHBondContact O-N 3.29Å; D3532-N3534 PolarHBondContact O-N 3.13Å; D3532-E3535 PolarHBondContact O-N 3.34Å; D3532-Q3536 PolarHBondContact O-N 3.23Å |
| 3533 | T | 53.1 | Low | 56.2 | Low | 91.5 Ų | 91.5 | 114.4 Ų | 114.4 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.9 | -16.2 | 171.2 | 44.5 | 0 | 0 | 0 | 0 | 114.8 | T3529 M3530 S3531 | T3529-T3533 WeakPolarHBondContact O-CG2 3.43Å; T3529-T3533 PolarHBondContact O-N 3.34Å; T3529-T3533 PolarHBondContact O-OG1 3.21Å; M3530-T3533 PolarHBondContact O-OG1 3.39Å; S3531-T3533 VanDerWaalsContact C-N 3.32Å; S3531-T3533 PolarHBondContact O-N 3.32Å |
| 3534 | N | 46 | Very low | 53.4 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -96.2 | -14.8 | -173.4 | -127.6 | -32.8 | 0 | 0 | 0 | 114.2 | M3530 S3531 D3532 | M3530-N3534 PolarHBondContact O-ND2 2.83Å; S3531-N3534 WeakPolarHBondContact O-CB 3.09Å; S3531-N3534 PolarHBondContact O-N 2.96Å; S3531-N3534 VanDerWaalsContact O-N 3.1Å; D3532-N3534 PolarHBondContact O-N 3.13Å |
| 3535 | E | 41.1 | Very low | 50.5 | Low | 147 Ų | 147 | 123.1 Ų | 123.1 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -96.1 | -21 | 179.9 | -75.2 | -75.9 | 119.1 | 0 | 0 | 113 | D3532 N3537 | D3532-E3535 PolarHBondContact O-N 3.34Å; E3535-N3537 PolarHBondContact O-N 2.93Å |
| 3536 | Q | 38.2 | Very low | 47.4 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.8 | -14.5 | -171.2 | -131.8 | 70.6 | 22 | 0 | 0 | 115.1 | D3532 R3538 | D3532-Q3536 PolarHBondContact O-N 3.23Å; Q3536-R3538 PolarHBondContact O-N 2.92Å |
| 3537 | N | 32.6 | Very low | 44.7 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 64.3 | -173.4 | -92.5 | -35.5 | 0 | 0 | 0 | 114.5 | E3535 | E3535-N3537 PolarHBondContact O-N 2.93Š|
| 3538 | R | 29.6 | Very low | 42.2 | Very low | 200 Ų | 200 | 127 Ų | 127 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 56.4 | 177.1 | -125 | -178.4 | 177.9 | -167.9 | -1 | 113.5 | Q3536 | Q3536-R3538 PolarHBondContact O-N 2.92Š|
| 3539 | V | 33.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -159.9 | 123.2 | 161.3 | 165.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 3540 | E | 28 | Very low | 37.2 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | trans | 61.1 | 146.9 | 157.2 | -66.1 | -178.7 | 169.2 | 0 | 0 | 122.5 | ||||
| 3541 | R | 23.5 | Very low | 35.2 | Very low | 215.5 Ų | 215.5 | 137.1 Ų | 137.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -158 | 139.1 | 179.6 | -144.7 | -178.1 | -170.1 | 158.9 | 6.7 | 108.3 | ||||
| 3542 | P | 30.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | -100.8 | 178 | -102 | 10 | 4.3 | 0 | 0 | 0 | 113.3 | |||||
| 3543 | R | 24.4 | Very low | 32.9 | Very low | 237.5 Ų | 237.5 | 139.3 Ų | 139.3 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | -153.8 | 153 | 156.8 | -82.6 | 168.7 | 176.9 | 140.9 | -1.6 | 113.2 | ||||
| 3544 | T | 27.3 | Very low | 32.3 | Very low | 134.5 Ų | 134.5 | 138 Ų | 138 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | 168.4 | 167.8 | 167.3 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3545 | P | 28.2 | Very low | 32 | Very low | 113.5 Ų | 113.5 | 136.5 Ų | 136.5 | 74% | 0.737 | 72% | 0.715 | S | S | * | * | cis | -135.1 | -175.5 | -31 | 41.2 | -22 | 0 | 0 | 0 | 114.8 | ||||
| 3546 | S | 24.5 | Very low | 31.8 | Very low | 103.5 Ų | 103.5 | 136.5 Ų | 136.5 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | 135.8 | 156.1 | 81.3 | 64 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 3547 | V | 26.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 134 Ų | 134 | 92% | 0.915 | 70% | 0.699 | S | S | * | * | trans | 78.4 | 126.9 | 162.5 | -179.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3548 | G | 29.5 | Very low | 32 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | trans | 150.5 | 107.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3549 | L | 27.3 | Very low | 32.2 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 89% | 0.89 | 68% | 0.681 | S | S | * | * | trans | -94.8 | 130.9 | 172.3 | -72.9 | 123.1 | 0 | 0 | 0 | 110 | ||||
| 3550 | N | 31 | Very low | 31.9 | Very low | 153.5 Ų | 153.5 | 131.1 Ų | 131.1 | 82% | 0.821 | 68% | 0.682 | S | S | * | * | trans | -154.5 | 150 | 148.9 | -88.1 | -26.7 | 0 | 0 | 0 | 110.2 | ||||
| 3551 | H | 30.5 | Very low | 32 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 55% | 0.546 | 68% | 0.678 | S | S | . | * | trans | -120.2 | 134.2 | 179.2 | -137.5 | -67.2 | 0 | 0 | 0 | 108.8 | E3555 R3556 | H3551-E3555 IonicContact ND1-OE2 2.74Å; H3551-R3556 PolarHBondContact CD2-NH2 3.34Å; H3551-R3556 VanDerWaalsContact CD2-NH2 3.35Å; H3551-R3556 PolarHBondContact CE1-NH2 3.09Å; H3551-R3556 PolarHBondContact ND1-NH2 3.36Å; H3551-R3556 PolarHBondContact NE2-NH2 3.03Å | ||
| 3552 | P | 41.6 | Very low | 32.2 | Very low | 61 Ų | 61 | 123.8 Ų | 123.8 | 40% | 0.396 | 68% | 0.68 | S | S | . | * | trans | -61.3 | 142.7 | 177.4 | 23.3 | -32.7 | 0 | 0 | 0 | 111.8 | I3716 | P3552-I3716 HydrophobicContact CB-CD1 4.43Š| ||
| 3553 | V | 43.5 | Very low | 32 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 53% | 0.533 | 68% | 0.679 | S | S | . | * | trans | -84.5 | -27.4 | -165.4 | 175.3 | 0 | 0 | 0 | 0 | 113.3 | E3555 R3556 L3557 | V3553-E3555 PolarHBondContact O-N 3.2Å; V3553-R3556 WeakPolarHBondContact O-CA 3.25Å; V3553-R3556 WeakPolarHBondContact O-CB 3.41Å; V3553-R3556 PolarHBondContact O-N 3.24Å; V3553-L3557 HydrophobicContact CG1-CD1 4.25Å; V3553-L3557 PolarHBondContact O-N 3.16Å; V3553-L3557 VanDerWaalsContact O-N 3.16Å | ||
| 3554 | L | 40.3 | Very low | 32 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 33% | 0.33 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | -164.2 | -123.9 | 159.3 | 0 | 0 | 0 | 114.1 | R3556 L3557 L3711 | L3554-R3556 VanDerWaalsContact C-N 3.27Å; L3554-R3556 PolarHBondContact O-N 3.06Å; L3554-L3557 WeakPolarHBondContact O-CB 3.35Å; L3554-L3557 PolarHBondContact O-N 3.11Å; L3554-L3711 HydrophobicContact CD1-CD2 3.83Å; L3554-L3711 HydrophobicContact CG-CD2 3.99Å |
| 3555 | E | 40.8 | Very low | 32 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 47% | 0.472 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -67.7 | -25.2 | 175.8 | -65.1 | 178 | 162.4 | 0 | 0 | 113.1 | H3551 V3553 N3559 | H3551-E3555 IonicContact ND1-OE2 2.74Å; V3553-E3555 PolarHBondContact O-N 3.2Å; E3555-N3559 PolarHBondContact O-ND2 3.37Å |
| 3556 | R | 36.7 | Very low | 32 | Very low | 147.5 Ų | 147.5 | 118.3 Ų | 118.3 | 56% | 0.557 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.5 | -23.2 | -178.8 | -159.8 | 175.7 | -67.4 | 168 | 0.2 | 112.3 | H3551 V3553 L3554 N3559 | H3551-R3556 PolarHBondContact CD2-NH2 3.34Å; H3551-R3556 VanDerWaalsContact CD2-NH2 3.35Å; H3551-R3556 PolarHBondContact CE1-NH2 3.09Å; H3551-R3556 PolarHBondContact ND1-NH2 3.36Å; H3551-R3556 PolarHBondContact NE2-NH2 3.03Å; V3553-R3556 WeakPolarHBondContact O-CA 3.25Å; V3553-R3556 WeakPolarHBondContact O-CB 3.41Å; V3553-R3556 PolarHBondContact O-N 3.24Å; L3554-R3556 VanDerWaalsContact C-N 3.27Å; L3554-R3556 PolarHBondContact O-N 3.06Å; R3556-N3559 PolarHBondContact O-N 3.06Å; R3556-N3559 VanDerWaalsContact O-N 3.17Å |
| 3557 | L | 36.5 | Very low | 32.2 | Very low | 104.5 Ų | 104.5 | 120 Ų | 120 | 55% | 0.547 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -72.5 | -34.8 | 177.1 | -120.3 | 115.8 | 0 | 0 | 0 | 113 | V3553 L3554 N3559 W3560 Y3709 | V3553-L3557 HydrophobicContact CG1-CD1 4.25Å; V3553-L3557 PolarHBondContact O-N 3.16Å; V3553-L3557 VanDerWaalsContact O-N 3.16Å; L3554-L3557 WeakPolarHBondContact O-CB 3.35Å; L3554-L3557 PolarHBondContact O-N 3.11Å; L3557-N3559 PolarHBondContact O-N 3.03Å; L3557-N3559 VanDerWaalsContact O-N 3.14Å; L3557-W3560 PolarHBondContact O-N 3.45Å; L3557-Y3709 HydrophobicContact CD1-CD1 3.88Å; L3557-Y3709 HydrophobicContact CD1-CE1 4.24Å; L3557-Y3709 HydrophobicContact CD1-CG 4.48Å; L3557-Y3709 HydrophobicContact CD2-CD1 4.32Å; L3557-Y3709 HydrophobicContact CD2-CE1 3.85Å |
| 3558 | V | 38.9 | Very low | 32.3 | Very low | 80.5 Ų | 80.5 | 117.5 Ų | 117.5 | 49% | 0.488 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -76.6 | -24.5 | -178.6 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | W3560 | V3558-W3560 VanDerWaalsContact C-N 3.31Å; V3558-W3560 PolarHBondContact O-N 3.12Å |
| 3559 | N | 32.4 | Very low | 32.2 | Very low | 133.5 Ų | 133.5 | 117.7 Ų | 117.7 | 71% | 0.714 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -94.4 | 15.2 | -174.9 | -78.1 | -49.7 | 0 | 0 | 0 | 114.9 | E3555 R3556 L3557 | E3555-N3559 PolarHBondContact O-ND2 3.37Å; R3556-N3559 PolarHBondContact O-N 3.06Å; R3556-N3559 VanDerWaalsContact O-N 3.17Å; L3557-N3559 PolarHBondContact O-N 3.03Å; L3557-N3559 VanDerWaalsContact O-N 3.14Å |
| 3560 | W | 28.5 | Very low | 32.3 | Very low | 207.5 Ų | 207.5 | 114.7 Ų | 114.7 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | trans | -131 | 102.8 | -179.7 | -87.6 | 85.2 | 0 | 0 | 0 | 113.9 | L3557 V3558 | L3557-W3560 PolarHBondContact O-N 3.45Å; V3558-W3560 VanDerWaalsContact C-N 3.31Å; V3558-W3560 PolarHBondContact O-N 3.12Å | ||
| 3561 | Q | 29.4 | Very low | 32.2 | Very low | 166.5 Ų | 166.5 | 113.9 Ų | 113.9 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | trans | 143.1 | 82 | 165.2 | -152.3 | 74.1 | 7.4 | 0 | 0 | 113.9 | V3563 | Q3561-V3563 PolarHBondContact O-N 2.93Š| ||
| 3562 | G | 26.5 | Very low | 32.2 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | trans | -78.3 | 90.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3563 | V | 27.4 | Very low | 31.6 | Very low | 117.5 Ų | 117.5 | 117 Ų | 117 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | trans | -147.9 | 120.6 | 156.3 | 156.8 | 0 | 0 | 0 | 0 | 110.1 | Q3561 L3565 | Q3561-V3563 PolarHBondContact O-N 2.93Å; V3563-L3565 PolarHBondContact O-N 2.97Å | ||
| 3564 | A | 25.5 | Very low | 30.8 | Very low | 81.5 Ų | 81.5 | 120 Ų | 120 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | trans | -10.9 | 102.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | T3566 | A3564-T3566 HydrophobicContact CB-CG2 4.32Å; A3564-T3566 PolarHBondContact O-N 3.23Å; A3564-T3566 VanDerWaalsContact O-N 3.09Å | ||
| 3565 | L | 27.4 | Very low | 30.5 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -122.8 | 79.7 | 148.3 | -99.9 | 163.2 | 0 | 0 | 0 | 109.8 | V3563 V3567 | V3563-L3565 PolarHBondContact O-N 2.97Å; L3565-V3567 PolarHBondContact O-N 3.39Å | ||
| 3566 | T | 26.2 | Very low | 29.9 | Very low | 115.5 Ų | 115.5 | 129.1 Ų | 129.1 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | trans | -6.3 | 80.9 | 133.2 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | A3564 A3568 | A3564-T3566 HydrophobicContact CB-CG2 4.32Å; A3564-T3566 PolarHBondContact O-N 3.23Å; A3564-T3566 VanDerWaalsContact O-N 3.09Å; T3566-A3568 PolarHBondContact O-N 3.38Å | ||
| 3567 | V | 30.4 | Very low | 29.6 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -100.3 | 77.4 | 155.3 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | L3565 G3569 | L3565-V3567 PolarHBondContact O-N 3.39Å; V3567-G3569 PolarHBondContact O-N 3.09Å | ||
| 3568 | A | 26.9 | Very low | 29.4 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 8.2 | 97.2 | 126.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T3566 | T3566-A3568 PolarHBondContact O-N 3.38Š| |||
| 3569 | G | 28 | Very low | 29.3 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 147.3 | 63.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | V3567 | V3567-G3569 PolarHBondContact O-N 3.09Š| ||
| 3570 | S | 28.8 | Very low | 29.5 | Very low | 107.5 Ų | 107.5 | 127.9 Ų | 127.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | -150.1 | 124.6 | -89.7 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 3571 | T | 29.1 | Very low | 29.8 | Very low | 137.5 Ų | 137.5 | 120.9 Ų | 120.9 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | trans | -13.1 | 111.8 | 165.7 | 50.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3572 | S | 31.4 | Very low | 30.7 | Very low | 110.5 Ų | 110.5 | 114.7 Ų | 114.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -117.2 | 123.3 | 170.7 | -11.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3573 | V | 29.6 | Very low | 31.8 | Very low | 132.5 Ų | 132.5 | 115.6 Ų | 115.6 | 80% | 0.803 | 70% | 0.703 | S | S | * | * | 146.7 | 114.4 | 113.3 | -178.6 | 0 | 0 | 0 | 0 | 110 | Q3575 | V3573-Q3575 PolarHBondContact O-N 3.05Š| |||
| 3574 | N | 26.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | trans | -32.5 | 107.1 | 177.7 | -67.2 | -11 | 0 | 0 | 0 | 116 | ||||
| 3575 | Q | 32.6 | Very low | 34.3 | Very low | 171 Ų | 171 | 114.4 Ų | 114.4 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | -136.1 | 45.5 | 156.5 | -70.5 | -164.4 | -1 | 0 | 0 | 112.5 | V3573 S3577 | V3573-Q3575 PolarHBondContact O-N 3.05Å; Q3575-S3577 PolarHBondContact O-N 3.47Å | ||
| 3576 | Q | 27.9 | Very low | 35.8 | Very low | 184.5 Ų | 184.5 | 106.9 Ų | 106.9 | 86% | 0.862 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 42.1 | 177.4 | -78.2 | -178.9 | -33.7 | 0 | 0 | 112.9 | ||
| 3577 | S | 30.4 | Very low | 37.2 | Very low | 88.5 Ų | 88.5 | 103.1 Ų | 103.1 | 62% | 0.619 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -120.4 | -15.1 | 178.7 | 53 | 0 | 0 | 0 | 0 | 115.9 | Q3575 | Q3575-S3577 PolarHBondContact O-N 3.47Š|
| 3578 | H | 33.1 | Very low | 38.4 | Very low | 147 Ų | 147 | 102.3 Ų | 102.3 | 68% | 0.681 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -107.2 | -11.1 | -170 | -76.7 | -82.9 | 0 | 0 | 0 | 116.1 | S3581 S3582 | H3578-S3581 PolarHBondContact O-OG 3.06Å; H3578-S3581 VanDerWaalsContact O-OG 3.09Å; H3578-S3582 PolarHBondContact O-N 2.93Å |
| 3579 | I | 36.7 | Very low | 39.9 | Very low | 122 Ų | 122 | 98.4 Ų | 98.4 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.2 | -41.5 | -176.5 | -59.5 | 175.3 | 0 | 0 | 0 | 111 | S3581 S3582 L3583 | I3579-S3581 VanDerWaalsContact C-N 3.3Å; I3579-S3581 PolarHBondContact O-N 3.01Å; I3579-S3582 PolarHBondContact O-N 2.93Å; I3579-S3582 VanDerWaalsContact O-N 3.14Å; I3579-S3582 PolarHBondContact O-OG 3.21Å; I3579-S3582 VanDerWaalsContact O-OG 3.11Å; I3579-L3583 HydrophobicContact CG2-CD1 4.04Å; I3579-L3583 PolarHBondContact O-N 3.45Å; I3579-L3583 VanDerWaalsContact O-N 3.12Å |
| 3580 | S | 35.8 | Very low | 41.3 | Very low | 83.5 Ų | 83.5 | 95.6 Ų | 95.6 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -27.8 | -176.4 | -42.4 | 0 | 0 | 0 | 0 | 114 | N3584 | S3580-N3584 VanDerWaalsContact O-CG 3.28Å; S3580-N3584 PolarHBondContact O-N 3.01Å; S3580-N3584 PolarHBondContact O-ND2 3.48Å |
| 3581 | S | 36.5 | Very low | 42.6 | Very low | 59.5 Ų | 59.5 | 96.3 Ų | 96.3 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.8 | -40.1 | 178.2 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | H3578 I3579 L3583 N3584 T3585 | H3578-S3581 PolarHBondContact O-OG 3.06Å; H3578-S3581 VanDerWaalsContact O-OG 3.09Å; I3579-S3581 VanDerWaalsContact C-N 3.3Å; I3579-S3581 PolarHBondContact O-N 3.01Å; S3581-L3583 PolarHBondContact O-N 2.97Å; S3581-N3584 PolarHBondContact O-N 2.88Å; S3581-T3585 PolarHBondContact O-N 3.16Å; S3581-T3585 VanDerWaalsContact O-N 3.12Å; S3581-T3585 PolarHBondContact O-OG1 3.33Å |
| 3582 | S | 47.4 | Very low | 43.7 | Very low | 37.5 Ų | 37.5 | 93.1 Ų | 93.1 | 26% | 0.262 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | -179.8 | 62 | 0 | 0 | 0 | 0 | 112.9 | H3578 I3579 N3584 T3585 I3586 | H3578-S3582 PolarHBondContact O-N 2.93Å; I3579-S3582 PolarHBondContact O-N 2.93Å; I3579-S3582 VanDerWaalsContact O-N 3.14Å; I3579-S3582 PolarHBondContact O-OG 3.21Å; I3579-S3582 VanDerWaalsContact O-OG 3.11Å; S3582-N3584 VanDerWaalsContact C-N 3.34Å; S3582-N3584 PolarHBondContact O-N 3.34Å; S3582-T3585 PolarHBondContact O-N 2.77Å; S3582-I3586 WeakPolarHBondContact O-CB 3.23Å; S3582-I3586 VanDerWaalsContact O-CG1 3.29Å; S3582-I3586 WeakPolarHBondContact O-CG1 3.47Å; S3582-I3586 PolarHBondContact O-N 3.16Å |
| 3583 | L | 49.5 | Very low | 45 | Very low | 101 Ų | 101 | 96.1 Ų | 96.1 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 175.3 | -72.1 | 170 | 0 | 0 | 0 | 112 | I3579 S3581 I3586 A3587 | I3579-L3583 HydrophobicContact CG2-CD1 4.04Å; I3579-L3583 PolarHBondContact O-N 3.45Å; I3579-L3583 VanDerWaalsContact O-N 3.12Å; S3581-L3583 PolarHBondContact O-N 2.97Å; L3583-I3586 PolarHBondContact O-N 3.09Å; L3583-A3587 PolarHBondContact O-N 3.37Å |
| 3584 | N | 50 | Low | 47 | Very low | 116.5 Ų | 116.5 | 91.5 Ų | 91.5 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 176.1 | -70.5 | -5.8 | 0 | 0 | 0 | 111.7 | S3580 S3581 S3582 I3586 A3587 E3588 | S3580-N3584 VanDerWaalsContact O-CG 3.28Å; S3580-N3584 PolarHBondContact O-N 3.01Å; S3580-N3584 PolarHBondContact O-ND2 3.48Å; S3581-N3584 PolarHBondContact O-N 2.88Å; S3582-N3584 VanDerWaalsContact C-N 3.34Å; S3582-N3584 PolarHBondContact O-N 3.34Å; N3584-I3586 VanDerWaalsContact C-N 3.33Å; N3584-I3586 PolarHBondContact O-N 2.91Å; N3584-A3587 PolarHBondContact O-N 3.05Å; N3584-E3588 WeakPolarHBondContact O-CB 3.45Å; N3584-E3588 PolarHBondContact O-N 3.18Å |
| 3585 | T | 55.4 | Low | 49.4 | Very low | 57 Ų | 57 | 85 Ų | 85 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | P3216 S3581 S3582 E3588 L3589 | P3216-T3585 HydrophobicContact CG-CG2 4.16Å; S3581-T3585 PolarHBondContact O-N 3.16Å; S3581-T3585 VanDerWaalsContact O-N 3.12Å; S3581-T3585 PolarHBondContact O-OG1 3.33Å; S3582-T3585 PolarHBondContact O-N 2.77Å; T3585-E3588 PolarHBondContact O-N 3.13Å; T3585-L3589 HydrophobicContact CG2-CD1 4.18Å; T3585-L3589 WeakPolarHBondContact O-CB 3.36Å; T3585-L3589 VanDerWaalsContact O-CD1 3.32Å; T3585-L3589 WeakPolarHBondContact O-CD1 3.45Å; T3585-L3589 WeakPolarHBondContact O-CG 3.37Å; T3585-L3589 PolarHBondContact O-N 2.75Å |
| 3586 | I | 58.6 | Low | 51.8 | Low | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 174.2 | -71.4 | 165.1 | 0 | 0 | 0 | 110.9 | S3582 L3583 N3584 E3588 L3589 I3590 V3598 P3599 L3719 | S3582-I3586 WeakPolarHBondContact O-CB 3.23Å; S3582-I3586 VanDerWaalsContact O-CG1 3.29Å; S3582-I3586 WeakPolarHBondContact O-CG1 3.47Å; S3582-I3586 PolarHBondContact O-N 3.16Å; L3583-I3586 PolarHBondContact O-N 3.09Å; N3584-I3586 VanDerWaalsContact C-N 3.33Å; N3584-I3586 PolarHBondContact O-N 2.91Å; I3586-E3588 VanDerWaalsContact C-N 3.34Å; I3586-E3588 PolarHBondContact O-N 3.26Å; I3586-L3589 CarbonylContact O-C 3.49Å; I3586-L3589 PolarHBondContact O-N 2.89Å; I3586-I3590 HydrophobicContact CG2-CD1 4.07Å; I3586-I3590 WeakPolarHBondContact O-CD1 3.34Å; I3586-I3590 WeakPolarHBondContact O-CG1 3.33Å; I3586-I3590 PolarHBondContact O-N 3.31Å; I3586-I3590 VanDerWaalsContact O-N 3.12Å; I3586-V3598 HydrophobicContact CG2-CG1 4.05Å; I3586-P3599 HydrophobicContact CD1-CG 4.32Å; I3586-L3719 HydrophobicContact CG2-CD2 4.49Å |
| 3587 | A | 57.1 | Low | 54.5 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L3583 N3584 L3589 I3590 I3591 | L3583-A3587 PolarHBondContact O-N 3.37Å; N3584-A3587 PolarHBondContact O-N 3.05Å; A3587-L3589 VanDerWaalsContact C-N 3.3Å; A3587-L3589 PolarHBondContact O-N 3.44Å; A3587-I3590 PolarHBondContact O-N 3.07Å; A3587-I3590 VanDerWaalsContact O-N 3.09Å; A3587-I3591 WeakPolarHBondContact O-CG1 3.31Å; A3587-I3591 PolarHBondContact O-N 3.18Å |
| 3588 | E | 55 | Low | 57.2 | Low | 122.5 Ų | 122.5 | 66.5 Ų | 66.5 | 57% | 0.572 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 175.3 | -169.3 | 170.9 | -152.7 | 0 | 0 | 112.2 | N3584 T3585 I3586 I3590 I3591 T3592 | N3584-E3588 WeakPolarHBondContact O-CB 3.45Å; N3584-E3588 PolarHBondContact O-N 3.18Å; T3585-E3588 PolarHBondContact O-N 3.13Å; I3586-E3588 VanDerWaalsContact C-N 3.34Å; I3586-E3588 PolarHBondContact O-N 3.26Å; E3588-I3590 VanDerWaalsContact C-N 3.28Å; E3588-I3590 PolarHBondContact O-N 3.19Å; E3588-I3591 CarbonylContact O-C 3.31Å; E3588-I3591 WeakPolarHBondContact O-CA 3.47Å; E3588-I3591 WeakPolarHBondContact O-CB 3.22Å; E3588-I3591 PolarHBondContact O-N 3.33Å; E3588-T3592 HydrophobicContact CG-CG2 4.37Å; E3588-T3592 WeakPolarHBondContact O-CG2 3.32Å; E3588-T3592 PolarHBondContact O-N 3.12Å; E3588-T3592 PolarHBondContact O-OG1 3.22Å |
| 3589 | L | 57.8 | Low | 60 | Low | 17.5 Ų | 17.5 | 59.5 Ų | 59.5 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.4 | -18.7 | 174.4 | -77.9 | 162.6 | 0 | 0 | 0 | 114.7 | P3216 T3585 I3586 A3587 I3591 T3592 D3594 | P3216-L3589 HydrophobicContact CB-CD1 3.44Å; P3216-L3589 HydrophobicContact CG-CD1 3.9Å; T3585-L3589 HydrophobicContact CG2-CD1 4.18Å; T3585-L3589 WeakPolarHBondContact O-CB 3.36Å; T3585-L3589 VanDerWaalsContact O-CD1 3.32Å; T3585-L3589 WeakPolarHBondContact O-CD1 3.45Å; T3585-L3589 WeakPolarHBondContact O-CG 3.37Å; T3585-L3589 PolarHBondContact O-N 2.75Å; I3586-L3589 CarbonylContact O-C 3.49Å; I3586-L3589 PolarHBondContact O-N 2.89Å; A3587-L3589 VanDerWaalsContact C-N 3.3Å; A3587-L3589 PolarHBondContact O-N 3.44Å; L3589-I3591 VanDerWaalsContact C-N 3.34Å; L3589-T3592 WeakPolarHBondContact CA-OG1 3.35Å; L3589-D3594 HydrophobicContact CD2-CB 4.21Å |
| 3590 | I | 57.7 | Low | 62.7 | Low | 16.5 Ų | 16.5 | 53.8 Ų | 53.8 | 9% | 0.085 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.8 | -25.9 | 173.1 | -67.8 | 162.4 | 0 | 0 | 0 | 110.6 | I3586 A3587 E3588 V3598 L3719 | I3586-I3590 HydrophobicContact CG2-CD1 4.07Å; I3586-I3590 WeakPolarHBondContact O-CD1 3.34Å; I3586-I3590 WeakPolarHBondContact O-CG1 3.33Å; I3586-I3590 PolarHBondContact O-N 3.31Å; I3586-I3590 VanDerWaalsContact O-N 3.12Å; A3587-I3590 PolarHBondContact O-N 3.07Å; A3587-I3590 VanDerWaalsContact O-N 3.09Å; E3588-I3590 VanDerWaalsContact C-N 3.28Å; E3588-I3590 PolarHBondContact O-N 3.19Å; I3590-V3598 HydrophobicContact CD1-CG2 4.16Å; I3590-V3598 HydrophobicContact CG1-CG2 3.72Å; I3590-L3719 HydrophobicContact CD1-CD1 3.77Å; I3590-L3719 HydrophobicContact CD1-CD2 3.73Å; I3590-L3719 HydrophobicContact CD1-CG 4.17Å |
| 3591 | I | 56 | Low | 65.6 | Low | 123 Ų | 123 | 49.8 Ų | 49.8 | 63% | 0.631 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -79.5 | -27.8 | 171.8 | -64.8 | 163.3 | 0 | 0 | 0 | 111.4 | A3587 E3588 L3589 E3593 | A3587-I3591 WeakPolarHBondContact O-CG1 3.31Å; A3587-I3591 PolarHBondContact O-N 3.18Å; E3588-I3591 CarbonylContact O-C 3.31Å; E3588-I3591 WeakPolarHBondContact O-CA 3.47Å; E3588-I3591 WeakPolarHBondContact O-CB 3.22Å; E3588-I3591 PolarHBondContact O-N 3.33Å; L3589-I3591 VanDerWaalsContact C-N 3.34Å; I3591-E3593 PolarHBondContact O-N 3.3Å |
| 3592 | T | 53.3 | Low | 68.3 | Low | 70.5 Ų | 70.5 | 48.5 Ų | 48.5 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 104.1 | -178 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | E3588 L3589 D3594 | E3588-T3592 HydrophobicContact CG-CG2 4.37Å; E3588-T3592 WeakPolarHBondContact O-CG2 3.32Å; E3588-T3592 PolarHBondContact O-N 3.12Å; E3588-T3592 PolarHBondContact O-OG1 3.22Å; L3589-T3592 WeakPolarHBondContact CA-OG1 3.35Å; T3592-D3594 PolarHBondContact O-N 2.91Å |
| 3593 | E | 58.2 | Low | 70.6 | Confident | 173.5 Ų | 173.5 | 49.7 Ų | 49.7 | 81% | 0.811 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -11 | 19.7 | 177.1 | -59.8 | -172.8 | 157.9 | 0 | 0 | 117.3 | I3591 K3630 | I3591-E3593 PolarHBondContact O-N 3.3Å; E3593-K3630 PolarHBondContact O-NZ 3.43Å |
| 3594 | D | 70.6 | Confident | 72.6 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | trans | -123.7 | 32.9 | -172 | -111.7 | 4 | 0 | 0 | 0 | 111.9 | L3589 T3592 E3596 R3597 K3630 | L3589-D3594 HydrophobicContact CD2-CB 4.21Å; T3592-D3594 PolarHBondContact O-N 2.91Å; D3594-E3596 PolarHBondContact O-N 3.4Å; D3594-R3597 HydrophobicContact CB-CG 4.15Å; D3594-R3597 VanDerWaalsContact CG-CD 3.42Å; D3594-R3597 VanDerWaalsContact O-CB 3.27Å; D3594-R3597 WeakPolarHBondContact O-CB 3.37Å; D3594-R3597 WeakPolarHBondContact O-CG 3.3Å; D3594-R3597 PolarHBondContact O-N 2.99Å; D3594-R3597 IonicContact OD1-NE 3.48Å; D3594-R3597 WeakPolarHBondContact OD2-CD 3.39Å; D3594-R3597 IonicContact OD2-CZ 3.27Å; D3594-R3597 IonicContact OD2-NE 3.79Å; D3594-R3597 PolarHBondContact OD2-NE 3.07Å; D3594-R3597 IonicContact OD2-NH1 3.6Å; D3594-R3597 PolarHBondContact OD2-NH1 3.41Å; D3594-R3597 IonicContact OD2-NH2 2.67Å; D3594-R3597 PolarHBondContact OD2-NH2 2.7Å; D3594-K3630 IonicContact OD1-NZ 2.7Å; D3594-K3630 PolarHBondContact OD1-NZ 3.35Å | ||
| 3595 | V | 78.6 | Confident | 74.4 | Confident | 14.5 Ų | 14.5 | 41.8 Ų | 41.8 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -54.6 | -27.5 | -173.1 | -169.3 | 0 | 0 | 0 | 0 | 113.3 | R3597 V3598 V3615 P3616 | V3595-R3597 PolarHBondContact O-N 3.28Å; V3595-R3597 VanDerWaalsContact O-N 3.12Å; V3595-V3598 WeakPolarHBondContact O-CG1 3.37Å; V3595-V3598 VanDerWaalsContact O-CG2 3.3Å; V3595-V3598 WeakPolarHBondContact O-CG2 3.45Å; V3595-V3598 PolarHBondContact O-N 3.12Å; V3595-V3615 HydrophobicContact CB-CG1 4.44Å; V3595-V3615 HydrophobicContact CG1-CG1 3.86Å; V3595-P3616 HydrophobicContact CG1-CB 3.83Å; V3595-P3616 HydrophobicContact CG1-CG 3.88Å |
| 3596 | E | 81.2 | Confident | 76 | Confident | 3.5 Ų | 3.5 | 41.9 Ų | 41.9 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -67.9 | -13.2 | 177.9 | -49.6 | 81.4 | 178.6 | 0 | 0 | 113 | L3220 D3594 C3626 D3627 K3630 R3634 | L3220-E3596 HydrophobicContact CD1-CB 4.2Å; D3594-E3596 PolarHBondContact O-N 3.4Å; E3596-C3626 PolarHBondContact OE1-SG 3.11Å; E3596-D3627 PolarHBondContact OE1-N 3.12Å; E3596-K3630 HydrophobicContact CB-CB 4.07Å; E3596-K3630 HydrophobicContact CG-CB 3.75Å; E3596-K3630 WeakPolarHBondContact OE2-CD 3.45Å; E3596-K3630 IonicContact OE2-NZ 4Å; E3596-R3634 PolarHBondContact O-NH1 2.9Å |
| 3597 | R | 85.7 | Confident | 77.5 | Confident | 49 Ų | 49 | 50 Ų | 50 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -87.2 | -4.7 | 179 | -61.6 | 179.9 | 125 | -133.7 | -1.5 | 115.1 | P3216 L3217 N3219 L3220 D3594 V3595 | P3216-R3597 CarbonylContact C-O 3.53Å; P3216-R3597 WeakPolarHBondContact CA-O 3.37Å; P3216-R3597 WeakPolarHBondContact CB-O 3.25Å; L3217-R3597 HydrophobicContact CB-CB 4.29Å; L3217-R3597 HydrophobicContact CB-CG 4.49Å; L3217-R3597 PolarHBondContact N-O 2.89Å; L3217-R3597 PolarHBondContact O-NE 3.34Å; L3217-R3597 PolarHBondContact O-NH2 2.94Å; N3219-R3597 VanDerWaalsContact OD1-CZ 3.29Å; N3219-R3597 PolarHBondContact OD1-NH1 2.76Å; N3219-R3597 PolarHBondContact OD1-NH2 2.82Å; L3220-R3597 HydrophobicContact CD1-CG 4.48Å; L3220-R3597 HydrophobicContact CG-CG 4.42Å; D3594-R3597 HydrophobicContact CB-CG 4.15Å; D3594-R3597 VanDerWaalsContact CG-CD 3.42Å; D3594-R3597 VanDerWaalsContact O-CB 3.27Å; D3594-R3597 WeakPolarHBondContact O-CB 3.37Å; D3594-R3597 WeakPolarHBondContact O-CG 3.3Å; D3594-R3597 PolarHBondContact O-N 2.99Å; D3594-R3597 IonicContact OD1-NE 3.48Å; D3594-R3597 WeakPolarHBondContact OD2-CD 3.39Å; D3594-R3597 IonicContact OD2-CZ 3.27Å; D3594-R3597 IonicContact OD2-NE 3.79Å; D3594-R3597 PolarHBondContact OD2-NE 3.07Å; D3594-R3597 IonicContact OD2-NH1 3.6Å; D3594-R3597 PolarHBondContact OD2-NH1 3.41Å; D3594-R3597 IonicContact OD2-NH2 2.67Å; D3594-R3597 PolarHBondContact OD2-NH2 2.7Å; V3595-R3597 PolarHBondContact O-N 3.28Å; V3595-R3597 VanDerWaalsContact O-N 3.12Å |
| 3598 | V | 87.9 | Confident | 79 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -54.2 | 151 | 172.3 | -121.7 | 0 | 0 | 0 | 0 | 110.1 | I3586 I3590 V3595 P3616 R3634 | I3586-V3598 HydrophobicContact CG2-CG1 4.05Å; I3590-V3598 HydrophobicContact CD1-CG2 4.16Å; I3590-V3598 HydrophobicContact CG1-CG2 3.72Å; V3595-V3598 WeakPolarHBondContact O-CG1 3.37Å; V3595-V3598 VanDerWaalsContact O-CG2 3.3Å; V3595-V3598 WeakPolarHBondContact O-CG2 3.45Å; V3595-V3598 PolarHBondContact O-N 3.12Å; V3598-P3616 HydrophobicContact CG1-CG 4.47Å; V3598-R3634 PolarHBondContact O-NH1 2.93Å |
| 3599 | P | 91.7 | Very high | 80.8 | Confident | 0.5 Ų | 0.5 | 45.8 Ų | 45.8 | 0% | 0.003 | 24% | 0.239 | C | C | . | . | trans | -48.7 | 151.4 | -177.5 | -31.3 | 36.6 | 0 | 0 | 0 | 114.7 | Q3214 I3586 R3613 R3634 | Q3214-P3599 WeakPolarHBondContact O-CG 3.15Å; I3586-P3599 HydrophobicContact CD1-CG 4.32Å; P3599-R3613 WeakPolarHBondContact O-CB 3.4Å; P3599-R3613 WeakPolarHBondContact O-CD 3.39Å; P3599-R3634 PolarHBondContact O-NH2 3.12Å | ||
| 3600 | L | 92.7 | Very high | 82.6 | Confident | 1.5 Ų | 1.5 | 46.9 Ų | 46.9 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -77.3 | -30.6 | -177.9 | -71.7 | 164.7 | 0 | 0 | 0 | 113 | V3211 L3217 R3613 R3634 I3637 Y3638 I3641 | V3211-L3600 HydrophobicContact CG1-CD1 4.25Å; L3217-L3600 HydrophobicContact CD1-CD1 4.47Å; L3217-L3600 HydrophobicContact CD1-CD2 4.03Å; L3217-L3600 HydrophobicContact CD1-CG 4Å; L3217-L3600 HydrophobicContact CD2-CD1 3.84Å; L3217-L3600 HydrophobicContact CD2-CG 3.98Å; L3217-L3600 HydrophobicContact CG-CG 4.46Å; L3600-R3613 PolarHBondContact O-N 2.98Å; L3600-R3634 HydrophobicContact CD2-CG 4.02Å; L3600-I3637 HydrophobicContact CD1-CG2 3.63Å; L3600-Y3638 HydrophobicContact CB-CE1 4.38Å; L3600-Y3638 HydrophobicContact CD2-CD1 4.48Å; L3600-Y3638 HydrophobicContact CD2-CD2 4.23Å; L3600-Y3638 HydrophobicContact CD2-CE1 4.05Å; L3600-Y3638 HydrophobicContact CD2-CE2 3.8Å; L3600-Y3638 PolarHBondContact O-OH 3.14Å; L3600-I3641 HydrophobicContact CD1-CD1 4Å |
| 3601 | F | 95.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.7 | -177.6 | -61.9 | -74 | 0 | 0 | 0 | 110.8 | V3211 L3212 Q3214 Y3610 F3611 P3612 Y3638 I3641 F3659 L3777 | V3211-F3601 HydrophobicContact CG1-CD2 3.81Å; V3211-F3601 HydrophobicContact CG1-CE2 3.52Å; L3212-F3601 HydrophobicContact CD2-CB 4.16Å; L3212-F3601 HydrophobicContact CD2-CD2 3.92Å; L3212-F3601 HydrophobicContact CD2-CG 4.18Å; Q3214-F3601 PolarHBondContact NE2-O 2.8Å; Q3214-F3601 PolarHBondContact OE1-O 2.89Å; F3601-Y3610 HydrophobicContact CB-CD1 3.87Å; F3601-Y3610 HydrophobicContact CB-CG 4.44Å; F3601-F3611 CarbonylContact C-O 3.57Å; F3601-F3611 VanDerWaalsContact CA-O 3.24Å; F3601-F3611 WeakPolarHBondContact CA-O 3.33Å; F3601-P3612 HydrophobicContact CD1-CG 4.47Å; F3601-P3612 HydrophobicContact CE1-CB 4.42Å; F3601-P3612 HydrophobicContact CE1-CG 4.12Å; F3601-Y3638 HydrophobicContact CE1-CE1 4.01Å; F3601-Y3638 HydrophobicContact CZ-CD1 4.17Å; F3601-Y3638 AromaticContact CZ-CE1 3.92Å; F3601-Y3638 HydrophobicContact CZ-CE1 3.92Å; F3601-I3641 HydrophobicContact CE2-CD1 4.04Å; F3601-I3641 HydrophobicContact CZ-CD1 4.41Å; F3601-F3659 AromaticContact CD1-CE1 3.96Å; F3601-F3659 HydrophobicContact CD1-CE1 3.96Å; F3601-F3659 HydrophobicContact CE1-CD1 4.26Å; F3601-F3659 AromaticContact CE1-CE1 3.48Å; F3601-F3659 HydrophobicContact CE1-CE1 3.48Å; F3601-F3659 VanDerWaalsContact CE1-CE1 3.48Å; F3601-F3659 HydrophobicContact CE1-CZ 4.27Å; F3601-F3659 HydrophobicContact CE2-CE1 4.22Å; F3601-F3659 AromaticContact CZ-CE1 3.62Å; F3601-F3659 HydrophobicContact CZ-CE1 3.62Å; F3601-F3659 HydrophobicContact CZ-CZ 4.01Å; F3601-L3777 HydrophobicContact CE1-CD1 4.29Å; F3601-L3777 HydrophobicContact CZ-CD1 4.37Å; F3601-L3777 HydrophobicContact CZ-CD2 4.5Å |
| 3602 | W | 94.5 | Very high | 86.3 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 13% | 0.125 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 176.7 | 176.1 | 70.7 | -70.3 | 0 | 0 | 0 | 109.6 | P3604 Y3610 F3611 P3612 Y3680 E3720 E3721 | W3602-P3604 HydrophobicContact CE3-CB 4.26Å; W3602-P3604 HydrophobicContact CH2-CB 3.63Å; W3602-P3604 HydrophobicContact CZ2-CB 3.92Å; W3602-P3604 HydrophobicContact CZ3-CB 3.8Å; W3602-Y3610 CarbonylContact O-C 3.54Å; W3602-Y3610 VanDerWaalsContact O-CA 3.3Å; W3602-Y3610 WeakPolarHBondContact O-CA 3.37Å; W3602-F3611 PolarHBondContact N-O 3.3Å; W3602-F3611 PolarHBondContact O-N 3.01Å; W3602-P3612 PolarHBondContact NE1-O 3.11Å; W3602-P3612 VanDerWaalsContact NE1-O 3.12Å; W3602-Y3680 WeakPolarHBondContact CZ2-OH 3.18Å; W3602-E3720 HydrophobicContact CB-CG 4.25Å; W3602-E3720 HydrophobicContact CD2-CB 3.5Å; W3602-E3720 HydrophobicContact CD2-CG 3.63Å; W3602-E3720 VanDerWaalsContact CE2-CB 3.49Å; W3602-E3720 HydrophobicContact CE3-CB 3.78Å; W3602-E3720 HydrophobicContact CE3-CG 3.59Å; W3602-E3720 HydrophobicContact CG-CB 3.96Å; W3602-E3720 HydrophobicContact CG-CG 3.95Å; W3602-E3720 HydrophobicContact CH2-CB 3.95Å; W3602-E3720 HydrophobicContact CZ2-CB 3.73Å; W3602-E3720 HydrophobicContact CZ3-CB 3.98Å; W3602-E3720 HydrophobicContact CZ3-CG 4.04Å; W3602-E3721 HydrophobicContact CH2-CG 4.29Å; W3602-E3721 HydrophobicContact CZ2-CG 3.88Å |
| 3603 | Q | 94.4 | Very high | 88.2 | Confident | 61 Ų | 61 | 37.2 Ų | 37.2 | 29% | 0.285 | 19% | 0.189 | S | C | . | . | trans | -119.3 | 103.1 | -176.9 | -59 | -173.1 | -7.6 | 0 | 0 | 109.9 | G3608 Y3609 Y3610 | Q3603-G3608 VanDerWaalsContact CD-N 3.28Å; Q3603-Y3609 WeakPolarHBondContact CA-O 3.37Å; Q3603-Y3609 WeakPolarHBondContact CG-O 3.18Å; Q3603-Y3610 HydrophobicContact CG-CD1 3.89Å; Q3603-Y3610 HydrophobicContact CG-CE1 3.98Å; Q3603-Y3610 HydrophobicContact CG-CG 4.33Å; Q3603-Y3610 VanDerWaalsContact NE2-CE1 3.35Å; Q3603-Y3610 PolarHBondContact NE2-OH 3.27Å | ||
| 3604 | P | 91.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 29.1 Ų | 29.1 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -79.7 | -17.8 | -176.1 | 28.6 | -34.5 | 0 | 0 | 0 | 115 | W3602 F3611 Y3680 | W3602-P3604 HydrophobicContact CE3-CB 4.26Å; W3602-P3604 HydrophobicContact CH2-CB 3.63Å; W3602-P3604 HydrophobicContact CZ2-CB 3.92Å; W3602-P3604 HydrophobicContact CZ3-CB 3.8Å; P3604-F3611 HydrophobicContact CG-CB 3.8Å; P3604-F3611 HydrophobicContact CG-CG 4.39Å; P3604-Y3680 HydrophobicContact CB-CD1 4.28Å; P3604-Y3680 HydrophobicContact CB-CD2 4.29Å; P3604-Y3680 HydrophobicContact CB-CE1 3.9Å; P3604-Y3680 HydrophobicContact CB-CE2 3.9Å; P3604-Y3680 HydrophobicContact CB-CG 4.47Å; P3604-Y3680 HydrophobicContact CG-CD2 3.91Å; P3604-Y3680 HydrophobicContact CG-CE2 3.83Å; P3604-Y3680 HydrophobicContact CG-CG 4.31Å |
| 3605 | G | 88.6 | Confident | 90.6 | Very high | 32 Ų | 32 | 27.6 Ų | 27.6 | 33% | 0.33 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -145.2 | -112.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q3607 Y3680 | G3605-Q3607 PolarHBondContact O-N 2.85Å; G3605-Y3680 PolarHBondContact N-O 3.25Å |
| 3606 | L | 88.9 | Confident | 90.8 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 31% | 0.309 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -61 | 131.4 | 178.9 | -69.2 | -173 | 0 | 0 | 0 | 112.4 | A2911 P2914 G3608 Y3609 P3682 | A2911-L3606 VanDerWaalsContact O-CD1 3.27Å; A2911-L3606 WeakPolarHBondContact O-CD1 3.02Å; P2914-L3606 HydrophobicContact CG-CD1 4.12Å; L3606-G3608 PolarHBondContact O-N 2.87Å; L3606-Y3609 HydrophobicContact CB-CD2 4.1Å; L3606-Y3609 PolarHBondContact O-N 3.06Å; L3606-Y3609 VanDerWaalsContact O-N 3.08Å; L3606-P3682 HydrophobicContact CD2-CG 4.42Å; L3606-P3682 HydrophobicContact CG-CG 4.15Å |
| 3607 | Q | 89.6 | Confident | 90.6 | Very high | 177 Ų | 177 | 27.1 Ų | 27.1 | 83% | 0.827 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.7 | 177.7 | -166.4 | -179.7 | 11.8 | 0 | 0 | 111.1 | G3605 Y3609 | G3605-Q3607 PolarHBondContact O-N 2.85Å; Q3607-Y3609 VanDerWaalsContact C-N 3.31Å |
| 3608 | G | 88.6 | Confident | 90.4 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 29% | 0.289 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -10 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q3603 L3606 Y3610 H3658 | Q3603-G3608 VanDerWaalsContact CD-N 3.28Å; L3606-G3608 PolarHBondContact O-N 2.87Å; G3608-Y3610 VanDerWaalsContact O-CD2 3.23Å; G3608-Y3610 WeakPolarHBondContact O-CD2 3.41Å; G3608-Y3610 WeakPolarHBondContact O-CE2 3.39Å; G3608-H3658 WeakPolarHBondContact O-CB 3.11Å |
| 3609 | Y | 93.7 | Very high | 89.9 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | trans | -98.5 | 124.7 | 172.4 | -76.2 | -77.1 | 0 | 0 | 0 | 112.1 | P2914 Q3603 L3606 Q3607 H3658 | P2914-Y3609 HydrophobicContact CB-CE2 3.55Å; P2914-Y3609 WeakPolarHBondContact CB-OH 3.3Å; P2914-Y3609 HydrophobicContact CG-CE2 3.88Å; Q3603-Y3609 WeakPolarHBondContact CA-O 3.37Å; Q3603-Y3609 WeakPolarHBondContact CG-O 3.18Å; L3606-Y3609 HydrophobicContact CB-CD2 4.1Å; L3606-Y3609 PolarHBondContact O-N 3.06Å; L3606-Y3609 VanDerWaalsContact O-N 3.08Å; Q3607-Y3609 VanDerWaalsContact C-N 3.31Å; Y3609-H3658 WeakPolarHBondContact CA-O 3.33Å | ||
| 3610 | Y | 95.7 | Very high | 89.1 | Confident | 41 Ų | 41 | 29.1 Ų | 29.1 | 16% | 0.161 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -110.4 | 141.2 | -166.4 | -71.7 | -90.2 | 0 | 0 | 0 | 113.3 | L3212 F3601 W3602 Q3603 G3608 H3658 F3659 S3660 I3663 | L3212-Y3610 HydrophobicContact CB-CE1 3.93Å; L3212-Y3610 HydrophobicContact CB-CE2 4.36Å; L3212-Y3610 HydrophobicContact CD1-CD2 4.16Å; L3212-Y3610 HydrophobicContact CD1-CE2 3.83Å; L3212-Y3610 HydrophobicContact CD2-CD1 3.78Å; L3212-Y3610 HydrophobicContact CD2-CD2 3.9Å; L3212-Y3610 HydrophobicContact CD2-CE1 4.02Å; L3212-Y3610 HydrophobicContact CD2-CE2 4.15Å; L3212-Y3610 HydrophobicContact CD2-CG 3.68Å; L3212-Y3610 HydrophobicContact CG-CE1 4.44Å; L3212-Y3610 HydrophobicContact CG-CE2 4.34Å; F3601-Y3610 HydrophobicContact CB-CD1 3.87Å; F3601-Y3610 HydrophobicContact CB-CG 4.44Å; W3602-Y3610 CarbonylContact O-C 3.54Å; W3602-Y3610 VanDerWaalsContact O-CA 3.3Å; W3602-Y3610 WeakPolarHBondContact O-CA 3.37Å; Q3603-Y3610 HydrophobicContact CG-CD1 3.89Å; Q3603-Y3610 HydrophobicContact CG-CE1 3.98Å; Q3603-Y3610 HydrophobicContact CG-CG 4.33Å; Q3603-Y3610 VanDerWaalsContact NE2-CE1 3.35Å; Q3603-Y3610 PolarHBondContact NE2-OH 3.27Å; G3608-Y3610 VanDerWaalsContact O-CD2 3.23Å; G3608-Y3610 WeakPolarHBondContact O-CD2 3.41Å; G3608-Y3610 WeakPolarHBondContact O-CE2 3.39Å; Y3610-H3658 HydrophobicContact CD2-CB 4.36Å; Y3610-H3658 PolarHBondContact N-O 2.97Å; Y3610-F3659 WeakPolarHBondContact O-CA 3.39Å; Y3610-S3660 PolarHBondContact O-N 3.21Å; Y3610-S3660 VanDerWaalsContact O-N 3.12Å; Y3610-S3660 PolarHBondContact O-OG 3.07Å; Y3610-I3663 WeakPolarHBondContact O-CD1 3.35Å |
| 3611 | F | 95.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.5 | 177 | -152.7 | -100 | 0 | 0 | 0 | 111.7 | F3601 W3602 P3604 P3662 I3663 Y3680 V3770 | F3601-F3611 CarbonylContact C-O 3.57Å; F3601-F3611 VanDerWaalsContact CA-O 3.24Å; F3601-F3611 WeakPolarHBondContact CA-O 3.33Å; W3602-F3611 PolarHBondContact N-O 3.3Å; W3602-F3611 PolarHBondContact O-N 3.01Å; P3604-F3611 HydrophobicContact CG-CB 3.8Å; P3604-F3611 HydrophobicContact CG-CG 4.39Å; F3611-P3662 HydrophobicContact CE2-CB 4.35Å; F3611-I3663 HydrophobicContact CD2-CD1 3.61Å; F3611-I3663 HydrophobicContact CD2-CG1 3.9Å; F3611-I3663 HydrophobicContact CE2-CD1 4.04Å; F3611-I3663 HydrophobicContact CE2-CG1 3.79Å; F3611-I3663 HydrophobicContact CG-CD1 4.33Å; F3611-Y3680 HydrophobicContact CD1-CD2 4.28Å; F3611-Y3680 AromaticContact CD1-CE2 3.61Å; F3611-Y3680 HydrophobicContact CD1-CE2 3.61Å; F3611-Y3680 AromaticContact CD2-CD2 3.72Å; F3611-Y3680 HydrophobicContact CD2-CD2 3.72Å; F3611-Y3680 AromaticContact CD2-CE2 3.91Å; F3611-Y3680 HydrophobicContact CD2-CE2 3.91Å; F3611-Y3680 HydrophobicContact CE1-CD2 4.21Å; F3611-Y3680 AromaticContact CE1-CE2 3.64Å; F3611-Y3680 HydrophobicContact CE1-CE2 3.64Å; F3611-Y3680 AromaticContact CE2-CD2 3.69Å; F3611-Y3680 HydrophobicContact CE2-CD2 3.69Å; F3611-Y3680 AromaticContact CE2-CE2 3.98Å; F3611-Y3680 HydrophobicContact CE2-CE2 3.98Å; F3611-Y3680 HydrophobicContact CG-CD2 4.04Å; F3611-Y3680 AromaticContact CG-CE2 3.75Å; F3611-Y3680 HydrophobicContact CG-CE2 3.75Å; F3611-Y3680 AromaticContact CZ-CD2 3.95Å; F3611-Y3680 HydrophobicContact CZ-CD2 3.95Å; F3611-Y3680 AromaticContact CZ-CE2 3.85Å; F3611-Y3680 HydrophobicContact CZ-CE2 3.85Å; F3611-V3770 HydrophobicContact CD1-CG2 4.45Å; F3611-V3770 HydrophobicContact CE1-CB 4.48Å; F3611-V3770 HydrophobicContact CE1-CG1 4.27Å; F3611-V3770 HydrophobicContact CE1-CG2 3.5Å; F3611-V3770 VanDerWaalsContact CE1-CG2 3.5Å; F3611-V3770 HydrophobicContact CZ-CG2 3.98Å |
| 3612 | P | 95.7 | Very high | 86 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 141 | 175.3 | -24.3 | 32.3 | 0 | 0 | 0 | 111.8 | F3601 W3602 Y3638 V3770 P3773 L3774 L3777 | F3601-P3612 HydrophobicContact CD1-CG 4.47Å; F3601-P3612 HydrophobicContact CE1-CB 4.42Å; F3601-P3612 HydrophobicContact CE1-CG 4.12Å; W3602-P3612 PolarHBondContact NE1-O 3.11Å; W3602-P3612 VanDerWaalsContact NE1-O 3.12Å; P3612-Y3638 HydrophobicContact CB-CE1 4.22Å; P3612-V3770 HydrophobicContact CB-CB 4.21Å; P3612-V3770 HydrophobicContact CB-CG1 4.25Å; P3612-P3773 HydrophobicContact CB-CB 3.88Å; P3612-L3774 HydrophobicContact CG-CD2 4.05Å; P3612-L3777 HydrophobicContact CG-CD1 4.28Å |
| 3613 | R | 93.4 | Very high | 84 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -97.8 | 127.2 | 173.3 | -162.1 | -168.7 | 170.8 | 110.1 | 14.8 | 109.8 | P3599 L3600 R3634 Y3638 L3719 E3720 | P3599-R3613 WeakPolarHBondContact O-CB 3.4Å; P3599-R3613 WeakPolarHBondContact O-CD 3.39Å; L3600-R3613 PolarHBondContact O-N 2.98Å; R3613-R3634 PolarHBondContact O-NH2 3.29Å; R3613-Y3638 PolarHBondContact N-OH 2.84Å; R3613-Y3638 PolarHBondContact O-OH 2.94Å; R3613-L3719 VanDerWaalsContact NH2-C 3.31Å; R3613-L3719 PolarHBondContact NH2-O 2.96Å; R3613-E3720 HydrophobicContact CG-CB 4.26Å; R3613-E3720 WeakPolarHBondContact CG-O 3.17Å; R3613-E3720 IonicContact CZ-OE1 3.94Å; R3613-E3720 IonicContact NH1-OE1 3.6Å; R3613-E3720 PolarHBondContact NH1-OE1 2.89Å; R3613-E3720 VanDerWaalsContact NH2-CD 3.33Å; R3613-E3720 IonicContact NH2-OE1 3.43Å; R3613-E3720 PolarHBondContact NH2-OE1 3.07Å |
| 3614 | A | 90 | Very high | 82.2 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 172.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I3618 E3720 V3770 | A3614-I3618 HydrophobicContact CB-CG2 4.25Å; A3614-E3720 PolarHBondContact N-O 3.38Å; A3614-V3770 HydrophobicContact CB-CG1 4.43Å |
| 3615 | V | 88.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 129.2 | 169.5 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | V3595 G3617 I3618 L3631 | V3595-V3615 HydrophobicContact CB-CG1 4.44Å; V3595-V3615 HydrophobicContact CG1-CG1 3.86Å; V3615-G3617 PolarHBondContact O-N 3.38Å; V3615-I3618 HydrophobicContact CB-CB 4.33Å; V3615-I3618 HydrophobicContact CB-CD1 4.44Å; V3615-I3618 VanDerWaalsContact O-CB 3.28Å; V3615-I3618 WeakPolarHBondContact O-CB 3.1Å; V3615-I3618 WeakPolarHBondContact O-CG2 3.44Å; V3615-I3618 PolarHBondContact O-N 3.01Å; V3615-I3618 VanDerWaalsContact O-N 3.08Å; V3615-L3631 HydrophobicContact CG2-CD1 3.88Å |
| 3616 | P | 83.4 | Confident | 79.8 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 5% | 0.045 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 135.4 | 173.8 | -31.8 | 34.9 | 0 | 0 | 0 | 113 | V3595 V3598 I3618 L3719 G3723 L3724 | V3595-P3616 HydrophobicContact CG1-CB 3.83Å; V3595-P3616 HydrophobicContact CG1-CG 3.88Å; V3598-P3616 HydrophobicContact CG1-CG 4.47Å; P3616-I3618 VanDerWaalsContact C-N 3.3Å; P3616-I3618 PolarHBondContact O-N 3.45Å; P3616-L3719 HydrophobicContact CB-CD1 4.07Å; P3616-L3719 HydrophobicContact CG-CD1 3.88Å; P3616-L3719 HydrophobicContact CG-CG 4.49Å; P3616-G3723 VanDerWaalsContact CA-O 3.3Å; P3616-G3723 WeakPolarHBondContact CA-O 3.48Å; P3616-G3723 WeakPolarHBondContact CB-O 3.29Å; P3616-L3724 HydrophobicContact CB-CD2 4.39Å |
| 3617 | G | 77.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -17.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | V3615 N3619 L3620 G3722 G3723 | V3615-G3617 PolarHBondContact O-N 3.38Å; G3617-N3619 VanDerWaalsContact C-N 3.27Å; G3617-N3619 PolarHBondContact O-N 2.88Å; G3617-L3620 PolarHBondContact O-N 2.99Å; G3617-G3722 WeakPolarHBondContact CA-O 3.44Å; G3617-G3722 PolarHBondContact N-O 3.1Å; G3617-G3723 PolarHBondContact N-O 2.81Å |
| 3618 | I | 81.3 | Confident | 79 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 28% | 0.282 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.5 | -169.3 | -157.4 | 169.7 | 0 | 0 | 0 | 114.6 | A3614 V3615 P3616 L3631 Y3635 | A3614-I3618 HydrophobicContact CB-CG2 4.25Å; V3615-I3618 HydrophobicContact CB-CB 4.33Å; V3615-I3618 HydrophobicContact CB-CD1 4.44Å; V3615-I3618 VanDerWaalsContact O-CB 3.28Å; V3615-I3618 WeakPolarHBondContact O-CB 3.1Å; V3615-I3618 WeakPolarHBondContact O-CG2 3.44Å; V3615-I3618 PolarHBondContact O-N 3.01Å; V3615-I3618 VanDerWaalsContact O-N 3.08Å; P3616-I3618 VanDerWaalsContact C-N 3.3Å; P3616-I3618 PolarHBondContact O-N 3.45Å; I3618-L3631 HydrophobicContact CD1-CD1 3.88Å; I3618-L3631 HydrophobicContact CD1-CD2 3.9Å; I3618-Y3635 WeakPolarHBondContact CD1-OH 3.24Å |
| 3619 | N | 75.8 | Confident | 78.8 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -0.2 | -176.4 | -69.3 | -40.5 | 0 | 0 | 0 | 112.9 | G3617 E3721 Y3738 A3769 | G3617-N3619 VanDerWaalsContact C-N 3.27Å; G3617-N3619 PolarHBondContact O-N 2.88Å; N3619-E3721 PolarHBondContact ND2-O 3.16Å; N3619-Y3738 VanDerWaalsContact O-CD2 3.24Å; N3619-Y3738 WeakPolarHBondContact O-CD2 3.22Å; N3619-A3769 WeakPolarHBondContact ND2-CA 3.42Å; N3619-A3769 PolarHBondContact ND2-O 3.09Å |
| 3620 | L | 75.5 | Confident | 78.5 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -101.6 | 150.7 | -175.1 | -71.1 | 169.7 | 0 | 0 | 0 | 112.3 | G3617 S3622 P3717 L3724 Y3736 | G3617-L3620 PolarHBondContact O-N 2.99Å; L3620-S3622 PolarHBondContact O-N 2.91Å; L3620-P3717 HydrophobicContact CD2-CG 4.42Å; L3620-L3724 HydrophobicContact CD1-CD1 3.79Å; L3620-L3724 HydrophobicContact CD1-CG 3.82Å; L3620-Y3736 VanDerWaalsContact CD2-C 3.48Å |
| 3621 | P | 65.4 | Low | 78.1 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -67.3 | -25.2 | 175.6 | 29 | -35.1 | 0 | 0 | 0 | 112.2 | N3623 | P3621-N3623 PolarHBondContact O-N 2.87Š|
| 3622 | S | 58.5 | Low | 77.8 | Confident | 24 Ų | 24 | 46.1 Ų | 46.1 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -74 | 68.3 | 173.5 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | L3620 Q3624 D3735 | L3620-S3622 PolarHBondContact O-N 2.91Å; S3622-Q3624 VanDerWaalsContact C-N 3.33Å; S3622-Q3624 PolarHBondContact O-N 3.33Å; S3622-D3735 WeakPolarHBondContact CB-O 3.35Å; S3622-D3735 PolarHBondContact OG-O 3.29Å |
| 3623 | N | 52.6 | Low | 77.6 | Confident | 134 Ų | 134 | 46.5 Ų | 46.5 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | trans | -62.8 | 81.9 | -167.5 | -150.8 | -36.2 | 0 | 0 | 0 | 112.9 | P3621 | P3621-N3623 PolarHBondContact O-N 2.87Š| ||
| 3624 | Q | 56.8 | Low | 77.6 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | trans | -59 | 136.6 | 169.9 | -72 | -163.4 | -7.3 | 0 | 0 | 108.8 | S3622 C3626 L3724 | S3622-Q3624 VanDerWaalsContact C-N 3.33Å; S3622-Q3624 PolarHBondContact O-N 3.33Å; Q3624-C3626 VanDerWaalsContact C-N 3.26Å; Q3624-C3626 PolarHBondContact O-N 2.94Å; Q3624-L3724 VanDerWaalsContact CD-CD2 3.49Å; Q3624-L3724 HydrophobicContact CG-CD1 4.39Å; Q3624-L3724 HydrophobicContact CG-CD2 4.36Å | ||
| 3625 | T | 59.7 | Low | 77.8 | Confident | 141 Ų | 141 | 48.1 Ų | 48.1 | 87% | 0.865 | 28% | 0.284 | S | S | * | . | trans | -77.7 | 70.5 | -164.5 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | D3627 | T3625-D3627 PolarHBondContact O-N 2.98Š| ||
| 3626 | C | 68.7 | Low | 78.1 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 28% | 0.284 | 29% | 0.292 | S | S | . | . | trans | -55.3 | 130.2 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 110 | E3596 Q3624 S3628 | E3596-C3626 PolarHBondContact OE1-SG 3.11Å; Q3624-C3626 VanDerWaalsContact C-N 3.26Å; Q3624-C3626 PolarHBondContact O-N 2.94Å; C3626-S3628 PolarHBondContact O-N 3.03Å | ||
| 3627 | D | 79.9 | Confident | 78.7 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | trans | -72.3 | 106.1 | 178.4 | 178.9 | -11.7 | 0 | 0 | 0 | 108.6 | E3596 T3625 V3629 K3630 L3631 | E3596-D3627 PolarHBondContact OE1-N 3.12Å; T3625-D3627 PolarHBondContact O-N 2.98Å; D3627-V3629 PolarHBondContact O-N 3.13Å; D3627-V3629 WeakPolarHBondContact OD1-CA 3.5Å; D3627-V3629 WeakPolarHBondContact OD1-CB 3.32Å; D3627-V3629 WeakPolarHBondContact OD1-CG2 3.31Å; D3627-V3629 PolarHBondContact OD1-N 2.89Å; D3627-K3630 HydrophobicContact CB-CB 4.02Å; D3627-K3630 HydrophobicContact CB-CD 3.82Å; D3627-K3630 HydrophobicContact CB-CG 3.85Å; D3627-K3630 PolarHBondContact O-N 2.87Å; D3627-K3630 WeakPolarHBondContact OD2-CG 3.37Å; D3627-L3631 WeakPolarHBondContact O-CB 3.44Å; D3627-L3631 PolarHBondContact O-N 3.08Å | ||
| 3628 | S | 82.8 | Confident | 79.6 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -49 | -28.9 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 113.5 | C3626 A3632 | C3626-S3628 PolarHBondContact O-N 3.03Å; S3628-A3632 VanDerWaalsContact O-CB 3.26Å; S3628-A3632 WeakPolarHBondContact O-CB 3.4Å; S3628-A3632 PolarHBondContact O-N 3.41Å |
| 3629 | V | 85.1 | Confident | 80.3 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.6 | -40.3 | 178 | -160 | 0 | 0 | 0 | 0 | 111.8 | L3224 D3627 A3632 A3633 | L3224-V3629 HydrophobicContact CD2-CB 4.14Å; L3224-V3629 HydrophobicContact CD2-CG1 3.5Å; L3224-V3629 HydrophobicContact CG-CG1 3.84Å; D3627-V3629 PolarHBondContact O-N 3.13Å; D3627-V3629 WeakPolarHBondContact OD1-CA 3.5Å; D3627-V3629 WeakPolarHBondContact OD1-CB 3.32Å; D3627-V3629 WeakPolarHBondContact OD1-CG2 3.31Å; D3627-V3629 PolarHBondContact OD1-N 2.89Å; V3629-A3632 PolarHBondContact O-N 2.99Å; V3629-A3633 PolarHBondContact O-N 3.22Å |
| 3630 | K | 86.7 | Confident | 81.3 | Confident | 32 Ų | 32 | 47 Ų | 47 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 170.3 | -66.3 | 179.3 | -160.3 | -178.3 | 0 | 111.1 | L3220 E3593 D3594 E3596 D3627 A3632 A3633 R3634 | L3220-K3630 HydrophobicContact CD1-CB 4.16Å; E3593-K3630 PolarHBondContact O-NZ 3.43Å; D3594-K3630 IonicContact OD1-NZ 2.7Å; D3594-K3630 PolarHBondContact OD1-NZ 3.35Å; E3596-K3630 HydrophobicContact CB-CB 4.07Å; E3596-K3630 HydrophobicContact CG-CB 3.75Å; E3596-K3630 WeakPolarHBondContact OE2-CD 3.45Å; E3596-K3630 IonicContact OE2-NZ 4Å; D3627-K3630 HydrophobicContact CB-CB 4.02Å; D3627-K3630 HydrophobicContact CB-CD 3.82Å; D3627-K3630 HydrophobicContact CB-CG 3.85Å; D3627-K3630 PolarHBondContact O-N 2.87Å; D3627-K3630 WeakPolarHBondContact OD2-CG 3.37Å; K3630-A3632 PolarHBondContact O-N 2.68Å; K3630-A3633 CarbonylContact O-C 3.3Å; K3630-A3633 WeakPolarHBondContact O-CA 3.4Å; K3630-A3633 WeakPolarHBondContact O-CB 3.48Å; K3630-A3633 PolarHBondContact O-N 3.06Å; K3630-A3633 VanDerWaalsContact O-N 3.08Å; K3630-R3634 PolarHBondContact O-N 2.92Å |
| 3631 | L | 88.2 | Confident | 82.3 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.9 | -174.1 | 64.8 | 0 | 0 | 0 | 111.4 | V3615 I3618 D3627 A3633 R3634 Y3635 | V3615-L3631 HydrophobicContact CG2-CD1 3.88Å; I3618-L3631 HydrophobicContact CD1-CD1 3.88Å; I3618-L3631 HydrophobicContact CD1-CD2 3.9Å; D3627-L3631 WeakPolarHBondContact O-CB 3.44Å; D3627-L3631 PolarHBondContact O-N 3.08Å; L3631-A3633 VanDerWaalsContact C-N 3.27Å; L3631-A3633 PolarHBondContact O-N 3.45Å; L3631-R3634 WeakPolarHBondContact O-CB 3.34Å; L3631-R3634 PolarHBondContact O-N 3.46Å; L3631-Y3635 HydrophobicContact CD1-CE1 3.92Å; L3631-Y3635 HydrophobicContact CD1-CE2 4.14Å; L3631-Y3635 HydrophobicContact CD2-CE2 4.01Å; L3631-Y3635 HydrophobicContact CG-CD2 4.22Å; L3631-Y3635 HydrophobicContact CG-CE1 4.38Å; L3631-Y3635 HydrophobicContact CG-CE2 3.71Å; L3631-Y3635 WeakPolarHBondContact O-CB 3.22Å; L3631-Y3635 PolarHBondContact O-N 3.18Å |
| 3632 | A | 89.2 | Confident | 83.9 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -34.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S3628 V3629 K3630 S3636 | S3628-A3632 VanDerWaalsContact O-CB 3.26Å; S3628-A3632 WeakPolarHBondContact O-CB 3.4Å; S3628-A3632 PolarHBondContact O-N 3.41Å; V3629-A3632 PolarHBondContact O-N 2.99Å; K3630-A3632 PolarHBondContact O-N 2.68Å; A3632-S3636 PolarHBondContact O-N 3.06Å |
| 3633 | A | 91.3 | Very high | 85.7 | Confident | 8 Ų | 8 | 41 Ų | 41 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -42.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L3220 L3223 L3224 V3629 K3630 L3631 Y3635 S3636 I3637 | L3220-A3633 HydrophobicContact CB-CB 4.18Å; L3220-A3633 HydrophobicContact CD1-CB 4.45Å; L3223-A3633 HydrophobicContact CB-CB 4.48Å; L3224-A3633 HydrophobicContact CD1-CB 3.7Å; V3629-A3633 PolarHBondContact O-N 3.22Å; K3630-A3633 CarbonylContact O-C 3.3Å; K3630-A3633 WeakPolarHBondContact O-CA 3.4Å; K3630-A3633 WeakPolarHBondContact O-CB 3.48Å; K3630-A3633 PolarHBondContact O-N 3.06Å; K3630-A3633 VanDerWaalsContact O-N 3.08Å; L3631-A3633 VanDerWaalsContact C-N 3.27Å; L3631-A3633 PolarHBondContact O-N 3.45Å; A3633-Y3635 VanDerWaalsContact C-N 3.32Å; A3633-Y3635 PolarHBondContact O-N 2.89Å; A3633-S3636 WeakPolarHBondContact O-CB 3.41Å; A3633-S3636 PolarHBondContact O-N 2.82Å; A3633-S3636 VanDerWaalsContact O-N 3.13Å; A3633-I3637 WeakPolarHBondContact O-CG1 3.46Å; A3633-I3637 PolarHBondContact O-N 2.95Å |
| 3634 | R | 93.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57 | -44.9 | 172 | -174 | -177.3 | 178.4 | 79.9 | 2.7 | 111.2 | E3596 V3598 P3599 L3600 R3613 K3630 L3631 I3637 Y3638 | E3596-R3634 PolarHBondContact O-NH1 2.9Å; V3598-R3634 PolarHBondContact O-NH1 2.93Å; P3599-R3634 PolarHBondContact O-NH2 3.12Å; L3600-R3634 HydrophobicContact CD2-CG 4.02Å; R3613-R3634 PolarHBondContact O-NH2 3.29Å; K3630-R3634 PolarHBondContact O-N 2.92Å; L3631-R3634 WeakPolarHBondContact O-CB 3.34Å; L3631-R3634 PolarHBondContact O-N 3.46Å; R3634-I3637 WeakPolarHBondContact O-CB 3.43Å; R3634-I3637 PolarHBondContact O-N 2.8Å; R3634-I3637 VanDerWaalsContact O-N 3.12Å; R3634-Y3638 HydrophobicContact CG-CD2 4.45Å; R3634-Y3638 HydrophobicContact CG-CE2 4.14Å; R3634-Y3638 WeakPolarHBondContact O-CD2 3.13Å; R3634-Y3638 PolarHBondContact O-N 3.48Å; R3634-Y3638 VanDerWaalsContact O-N 3.11Å |
| 3635 | Y | 93.9 | Very high | 89.7 | Confident | 40 Ų | 40 | 31.2 Ų | 31.2 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 174.2 | -69.6 | -14.4 | 0 | 0 | 0 | 113.1 | I3618 L3631 A3633 I3637 Y3638 R3639 E3772 P3773 Q3776 | I3618-Y3635 WeakPolarHBondContact CD1-OH 3.24Å; L3631-Y3635 HydrophobicContact CD1-CE1 3.92Å; L3631-Y3635 HydrophobicContact CD1-CE2 4.14Å; L3631-Y3635 HydrophobicContact CD2-CE2 4.01Å; L3631-Y3635 HydrophobicContact CG-CD2 4.22Å; L3631-Y3635 HydrophobicContact CG-CE1 4.38Å; L3631-Y3635 HydrophobicContact CG-CE2 3.71Å; L3631-Y3635 WeakPolarHBondContact O-CB 3.22Å; L3631-Y3635 PolarHBondContact O-N 3.18Å; A3633-Y3635 VanDerWaalsContact C-N 3.32Å; A3633-Y3635 PolarHBondContact O-N 2.89Å; Y3635-I3637 VanDerWaalsContact C-N 3.26Å; Y3635-I3637 PolarHBondContact O-N 3.36Å; Y3635-Y3638 HydrophobicContact CD1-CD2 4.29Å; Y3635-Y3638 PolarHBondContact O-N 3.08Å; Y3635-R3639 PolarHBondContact O-N 2.95Å; Y3635-E3772 HydrophobicContact CE1-CB 3.97Å; Y3635-E3772 HydrophobicContact CE2-CB 4.01Å; Y3635-E3772 HydrophobicContact CE2-CG 4.41Å; Y3635-P3773 HydrophobicContact CE1-CG 4.23Å; Y3635-Q3776 HydrophobicContact CG-CG 4.47Å |
| 3636 | S | 94.3 | Very high | 91.4 | Very high | 26 Ų | 26 | 24.5 Ų | 24.5 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -29.7 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | N3083 A3632 A3633 G3640 | N3083-S3636 PolarHBondContact ND2-OG 2.97Å; A3632-S3636 PolarHBondContact O-N 3.06Å; A3633-S3636 WeakPolarHBondContact O-CB 3.41Å; A3633-S3636 PolarHBondContact O-N 2.82Å; A3633-S3636 VanDerWaalsContact O-N 3.13Å; S3636-G3640 PolarHBondContact O-N 2.83Å |
| 3637 | I | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.7 | -44.7 | 174.7 | -63.6 | 164.3 | 0 | 0 | 0 | 110.4 | I3075 L3076 I3079 L3220 L3223 L3600 A3633 R3634 Y3635 R3639 G3640 I3641 | I3075-I3637 HydrophobicContact CG2-CG2 4.16Å; L3076-I3637 HydrophobicContact CD2-CD1 4.24Å; I3079-I3637 HydrophobicContact CG1-CB 4.49Å; I3079-I3637 HydrophobicContact CG1-CG1 4.22Å; I3079-I3637 HydrophobicContact CG1-CG2 4.3Å; L3220-I3637 HydrophobicContact CD2-CD1 3.64Å; L3223-I3637 HydrophobicContact CD1-CD1 3.9Å; L3223-I3637 HydrophobicContact CD1-CG1 3.73Å; L3600-I3637 HydrophobicContact CD1-CG2 3.63Å; A3633-I3637 WeakPolarHBondContact O-CG1 3.46Å; A3633-I3637 PolarHBondContact O-N 2.95Å; R3634-I3637 WeakPolarHBondContact O-CB 3.43Å; R3634-I3637 PolarHBondContact O-N 2.8Å; R3634-I3637 VanDerWaalsContact O-N 3.12Å; Y3635-I3637 VanDerWaalsContact C-N 3.26Å; Y3635-I3637 PolarHBondContact O-N 3.36Å; I3637-R3639 VanDerWaalsContact C-N 3.33Å; I3637-R3639 PolarHBondContact O-N 2.97Å; I3637-G3640 CarbonylContact O-C 3.56Å; I3637-G3640 WeakPolarHBondContact O-CA 3.44Å; I3637-G3640 PolarHBondContact O-N 2.69Å; I3637-I3641 HydrophobicContact CG2-CD1 3.85Å; I3637-I3641 HydrophobicContact CG2-CG1 4.42Å; I3637-I3641 WeakPolarHBondContact O-CD1 3.48Å; I3637-I3641 WeakPolarHBondContact O-CG1 3.36Å; I3637-I3641 PolarHBondContact O-N 3.02Å |
| 3638 | Y | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.3 | -43.9 | 172.4 | -77.5 | -64.7 | 0 | 0 | 0 | 112.4 | L3600 F3601 P3612 R3613 R3634 Y3635 G3640 I3641 G3642 P3773 L3777 | L3600-Y3638 HydrophobicContact CB-CE1 4.38Å; L3600-Y3638 HydrophobicContact CD2-CD1 4.48Å; L3600-Y3638 HydrophobicContact CD2-CD2 4.23Å; L3600-Y3638 HydrophobicContact CD2-CE1 4.05Å; L3600-Y3638 HydrophobicContact CD2-CE2 3.8Å; L3600-Y3638 PolarHBondContact O-OH 3.14Å; F3601-Y3638 HydrophobicContact CE1-CE1 4.01Å; F3601-Y3638 HydrophobicContact CZ-CD1 4.17Å; F3601-Y3638 AromaticContact CZ-CE1 3.92Å; F3601-Y3638 HydrophobicContact CZ-CE1 3.92Å; P3612-Y3638 HydrophobicContact CB-CE1 4.22Å; R3613-Y3638 PolarHBondContact N-OH 2.84Å; R3613-Y3638 PolarHBondContact O-OH 2.94Å; R3634-Y3638 HydrophobicContact CG-CD2 4.45Å; R3634-Y3638 HydrophobicContact CG-CE2 4.14Å; R3634-Y3638 WeakPolarHBondContact O-CD2 3.13Å; R3634-Y3638 PolarHBondContact O-N 3.48Å; R3634-Y3638 VanDerWaalsContact O-N 3.11Å; Y3635-Y3638 HydrophobicContact CD1-CD2 4.29Å; Y3635-Y3638 PolarHBondContact O-N 3.08Å; Y3638-G3640 VanDerWaalsContact C-N 3.32Å; Y3638-G3640 PolarHBondContact O-N 3.47Å; Y3638-I3641 PolarHBondContact O-N 2.98Å; Y3638-G3642 PolarHBondContact O-N 3.47Å; Y3638-P3773 HydrophobicContact CD1-CB 4.34Å; Y3638-P3773 HydrophobicContact CD2-CB 4Å; Y3638-P3773 HydrophobicContact CD2-CG 4.3Å; Y3638-P3773 HydrophobicContact CE1-CB 4.08Å; Y3638-P3773 HydrophobicContact CE2-CB 3.7Å; Y3638-P3773 HydrophobicContact CE2-CG 3.78Å; Y3638-P3773 HydrophobicContact CG-CB 4.29Å; Y3638-L3777 HydrophobicContact CD1-CD1 4.09Å; Y3638-L3777 HydrophobicContact CD1-CD2 4.4Å; Y3638-L3777 HydrophobicContact CD1-CG 4.08Å; Y3638-L3777 WeakPolarHBondContact O-CD2 3.49Å |
| 3639 | R | 96.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 15.7 Ų | 15.7 | 18% | 0.181 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | 173.8 | -163.3 | -177.3 | -173.2 | 119 | 2.3 | 112.6 | Y3635 I3637 G3642 R3643 Q3776 G3780 D3783 | Y3635-R3639 PolarHBondContact O-N 2.95Å; I3637-R3639 VanDerWaalsContact C-N 3.33Å; I3637-R3639 PolarHBondContact O-N 2.97Å; R3639-G3642 PolarHBondContact O-N 2.75Å; R3639-R3643 WeakPolarHBondContact O-CG 3.37Å; R3639-R3643 PolarHBondContact O-N 3.48Å; R3639-Q3776 WeakPolarHBondContact CA-O 3.31Å; R3639-Q3776 HydrophobicContact CB-CB 4.19Å; R3639-G3780 VanDerWaalsContact O-CA 3.31Å; R3639-G3780 WeakPolarHBondContact O-CA 3.44Å; R3639-D3783 IonicContact CZ-OD1 3.48Å; R3639-D3783 IonicContact CZ-OD2 2.73Å; R3639-D3783 IonicContact NE-OD1 2.75Å; R3639-D3783 IonicContact NE-OD2 3.93Å; R3639-D3783 PolarHBondContact NE-OD2 3.49Å; R3639-D3783 IonicContact NH2-OD1 3.09Å; R3639-D3783 PolarHBondContact NH2-OD1 3.26Å; R3639-D3783 IonicContact NH2-OD2 3.55Å; R3639-D3783 PolarHBondContact NH2-OD2 3.09Å |
| 3640 | G | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | S3636 I3637 Y3638 R3643 V3644 | S3636-G3640 PolarHBondContact O-N 2.83Å; I3637-G3640 CarbonylContact O-C 3.56Å; I3637-G3640 WeakPolarHBondContact O-CA 3.44Å; I3637-G3640 PolarHBondContact O-N 2.69Å; Y3638-G3640 VanDerWaalsContact C-N 3.32Å; Y3638-G3640 PolarHBondContact O-N 3.47Å; G3640-R3643 WeakPolarHBondContact O-CB 3.44Å; G3640-R3643 PolarHBondContact O-N 2.92Å; G3640-R3643 VanDerWaalsContact O-N 3.11Å; G3640-V3644 PolarHBondContact O-N 3.5Å |
| 3641 | I | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 175.3 | -65.7 | 154.5 | 0 | 0 | 0 | 110.5 | F3207 V3211 L3600 F3601 I3637 Y3638 R3643 V3644 I3645 L3657 L3777 | F3207-I3641 HydrophobicContact CE1-CG1 4Å; F3207-I3641 HydrophobicContact CZ-CG1 4Å; V3211-I3641 HydrophobicContact CG1-CD1 3.56Å; V3211-I3641 HydrophobicContact CG1-CG1 4.08Å; V3211-I3641 HydrophobicContact CG2-CD1 4.47Å; V3211-I3641 HydrophobicContact CG2-CG1 4.46Å; L3600-I3641 HydrophobicContact CD1-CD1 4Å; F3601-I3641 HydrophobicContact CE2-CD1 4.04Å; F3601-I3641 HydrophobicContact CZ-CD1 4.41Å; I3637-I3641 HydrophobicContact CG2-CD1 3.85Å; I3637-I3641 HydrophobicContact CG2-CG1 4.42Å; I3637-I3641 WeakPolarHBondContact O-CD1 3.48Å; I3637-I3641 WeakPolarHBondContact O-CG1 3.36Å; I3637-I3641 PolarHBondContact O-N 3.02Å; Y3638-I3641 PolarHBondContact O-N 2.98Å; I3641-R3643 VanDerWaalsContact C-N 3.26Å; I3641-R3643 PolarHBondContact O-N 3.29Å; I3641-V3644 PolarHBondContact O-N 3.46Å; I3641-I3645 HydrophobicContact CG2-CD1 4.03Å; I3641-I3645 WeakPolarHBondContact O-CG1 3.33Å; I3641-I3645 PolarHBondContact O-N 2.87Å; I3641-L3657 HydrophobicContact CG2-CD1 4.12Å; I3641-L3777 HydrophobicContact CB-CD2 3.99Å; I3641-L3777 HydrophobicContact CG2-CD2 3.72Å |
| 3642 | G | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.6 | -40.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y3638 R3639 I3645 G3646 L3777 G3780 V3781 | Y3638-G3642 PolarHBondContact O-N 3.47Å; R3639-G3642 PolarHBondContact O-N 2.75Å; G3642-I3645 PolarHBondContact O-N 3.02Å; G3642-G3646 PolarHBondContact O-N 2.87Å; G3642-L3777 WeakPolarHBondContact CA-O 3.21Å; G3642-G3780 CarbonylContact C-O 3.46Å; G3642-G3780 CarbonylContact O-C 3.42Å; G3642-V3781 WeakPolarHBondContact O-CA 3.37Å; G3642-V3781 WeakPolarHBondContact O-CG2 3.36Å; G3642-V3781 PolarHBondContact O-N 3.36Å |
| 3643 | R | 96.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 2% | 0.019 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 174.6 | -68.9 | 169.3 | -176.3 | 158.1 | 8.4 | 112.6 | L3082 N3083 Y3086 L3180 R3639 G3640 I3641 I3645 G3646 L3647 G3780 D3783 V3784 | L3082-R3643 HydrophobicContact CD1-CB 4.35Å; N3083-R3643 PolarHBondContact OD1-NH1 2.91Å; Y3086-R3643 VanDerWaalsContact CD1-NH2 3.3Å; L3180-R3643 HydrophobicContact CD1-CG 4.01Å; R3639-R3643 WeakPolarHBondContact O-CG 3.37Å; R3639-R3643 PolarHBondContact O-N 3.48Å; G3640-R3643 WeakPolarHBondContact O-CB 3.44Å; G3640-R3643 PolarHBondContact O-N 2.92Å; G3640-R3643 VanDerWaalsContact O-N 3.11Å; I3641-R3643 VanDerWaalsContact C-N 3.26Å; I3641-R3643 PolarHBondContact O-N 3.29Å; R3643-I3645 VanDerWaalsContact C-N 3.33Å; R3643-G3646 PolarHBondContact O-N 2.66Å; R3643-L3647 VanDerWaalsContact O-CB 3.24Å; R3643-L3647 WeakPolarHBondContact O-CB 3.35Å; R3643-L3647 WeakPolarHBondContact O-CG 3.31Å; R3643-L3647 PolarHBondContact O-N 3.06Å; R3643-G3780 WeakPolarHBondContact CA-O 3.37Å; R3643-G3780 VanDerWaalsContact CG-O 3.26Å; R3643-G3780 WeakPolarHBondContact CG-O 3.38Å; R3643-G3780 PolarHBondContact N-O 2.9Å; R3643-D3783 HydrophobicContact CG-CB 4.01Å; R3643-D3783 IonicContact CZ-OD2 3.86Å; R3643-D3783 IonicContact NE-OD2 2.74Å; R3643-D3783 PolarHBondContact NE-OD2 3.04Å; R3643-D3783 IonicContact NH2-OD2 3.79Å; R3643-D3783 PolarHBondContact NH2-OD2 2.92Å; R3643-V3784 HydrophobicContact CB-CG2 3.93Å; R3643-V3784 HydrophobicContact CG-CG2 4.03Å |
| 3644 | V | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 175 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | T3078 L3082 F3204 F3207 G3640 I3641 L3647 C3648 | T3078-V3644 HydrophobicContact CG2-CG2 4.39Å; L3082-V3644 HydrophobicContact CD1-CG2 3.8Å; F3204-V3644 HydrophobicContact CD1-CG1 3.74Å; F3204-V3644 HydrophobicContact CE1-CG1 3.84Å; F3207-V3644 HydrophobicContact CD1-CB 4.35Å; F3207-V3644 HydrophobicContact CD1-CG1 3.86Å; F3207-V3644 HydrophobicContact CD1-CG2 4.21Å; F3207-V3644 HydrophobicContact CE1-CB 4.01Å; F3207-V3644 HydrophobicContact CE1-CG1 4.03Å; F3207-V3644 HydrophobicContact CE1-CG2 3.76Å; F3207-V3644 HydrophobicContact CZ-CG2 3.95Å; G3640-V3644 PolarHBondContact O-N 3.5Å; I3641-V3644 PolarHBondContact O-N 3.46Å; V3644-L3647 PolarHBondContact O-N 3.18Å; V3644-C3648 VanDerWaalsContact O-CB 3.31Å; V3644-C3648 WeakPolarHBondContact O-CB 3.09Å; V3644-C3648 PolarHBondContact O-N 3.47Å |
| 3645 | I | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -50.8 | 172.8 | -65 | 159.7 | 0 | 0 | 0 | 110.9 | I3641 G3642 R3643 L3647 C3648 L3649 L3657 F3659 L3777 V3781 L3802 | I3641-I3645 HydrophobicContact CG2-CD1 4.03Å; I3641-I3645 WeakPolarHBondContact O-CG1 3.33Å; I3641-I3645 PolarHBondContact O-N 2.87Å; G3642-I3645 PolarHBondContact O-N 3.02Å; R3643-I3645 VanDerWaalsContact C-N 3.33Å; I3645-L3647 VanDerWaalsContact C-N 3.29Å; I3645-L3647 PolarHBondContact O-N 3.18Å; I3645-C3648 PolarHBondContact O-N 3.41Å; I3645-L3649 HydrophobicContact CG2-CD1 4.08Å; I3645-L3649 WeakPolarHBondContact O-CG 3.47Å; I3645-L3649 PolarHBondContact O-N 3.46Å; I3645-L3657 HydrophobicContact CD1-CD1 4.09Å; I3645-L3657 HydrophobicContact CG1-CD1 3.73Å; I3645-F3659 HydrophobicContact CD1-CE2 3.63Å; I3645-F3659 HydrophobicContact CD1-CZ 4.18Å; I3645-F3659 HydrophobicContact CG1-CE2 4.49Å; I3645-L3777 HydrophobicContact CD1-CD2 4.38Å; I3645-V3781 HydrophobicContact CB-CG2 4.11Å; I3645-V3781 HydrophobicContact CG2-CG2 3.89Å; I3645-L3802 HydrophobicContact CG1-CD2 4.49Å; I3645-L3802 HydrophobicContact CG2-CD1 4.03Å; I3645-L3802 HydrophobicContact CG2-CD2 4.12Å |
| 3646 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.4 | -34.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G3642 R3643 L3650 | G3642-G3646 PolarHBondContact O-N 2.87Å; R3643-G3646 PolarHBondContact O-N 2.66Å; G3646-L3650 WeakPolarHBondContact O-CB 3.43Å; G3646-L3650 PolarHBondContact O-N 3.34Å; G3646-L3650 VanDerWaalsContact O-N 3.08Å |
| 3647 | L | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.016 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -69.2 | -46.5 | 174.2 | -79.9 | 170.6 | 0 | 0 | 0 | 111.9 | L3063 L3082 I3185 R3643 V3644 I3645 L3649 L3650 T3651 V3784 | L3063-L3647 HydrophobicContact CD2-CD1 3.63Å; L3063-L3647 HydrophobicContact CD2-CD2 3.89Å; L3063-L3647 HydrophobicContact CD2-CG 4.45Å; L3082-L3647 HydrophobicContact CD2-CD1 3.74Å; I3185-L3647 HydrophobicContact CD1-CB 3.78Å; I3185-L3647 HydrophobicContact CD1-CD1 4.44Å; I3185-L3647 HydrophobicContact CD1-CD2 3.92Å; I3185-L3647 HydrophobicContact CD1-CG 4.25Å; I3185-L3647 HydrophobicContact CG1-CD2 4.38Å; R3643-L3647 VanDerWaalsContact O-CB 3.24Å; R3643-L3647 WeakPolarHBondContact O-CB 3.35Å; R3643-L3647 WeakPolarHBondContact O-CG 3.31Å; R3643-L3647 PolarHBondContact O-N 3.06Å; V3644-L3647 PolarHBondContact O-N 3.18Å; I3645-L3647 VanDerWaalsContact C-N 3.29Å; I3645-L3647 PolarHBondContact O-N 3.18Å; L3647-L3649 PolarHBondContact O-N 3.06Å; L3647-L3650 WeakPolarHBondContact O-CB 3.38Å; L3647-L3650 PolarHBondContact O-N 3.03Å; L3647-L3650 VanDerWaalsContact O-N 3.16Å; L3647-T3651 PolarHBondContact O-N 3.22Å; L3647-T3651 PolarHBondContact O-OG1 3.09Å; L3647-V3784 HydrophobicContact CD2-CG1 3.91Å; L3647-V3784 HydrophobicContact CG-CG1 4.08Å; L3647-V3784 HydrophobicContact CG-CG2 4.19Å |
| 3648 | C | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -56.3 | -49.3 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | F3204 V3644 I3645 L3650 T3651 N3652 E3653 C3655 L3802 | F3204-C3648 HydrophobicContact CD1-CB 4.05Å; F3204-C3648 HydrophobicContact CE1-CB 3.69Å; F3204-C3648 HydrophobicContact CZ-CB 4.01Å; V3644-C3648 VanDerWaalsContact O-CB 3.31Å; V3644-C3648 WeakPolarHBondContact O-CB 3.09Å; V3644-C3648 PolarHBondContact O-N 3.47Å; I3645-C3648 PolarHBondContact O-N 3.41Å; C3648-L3650 VanDerWaalsContact C-N 3.35Å; C3648-L3650 PolarHBondContact O-N 3.1Å; C3648-T3651 PolarHBondContact O-N 2.9Å; C3648-T3651 PolarHBondContact O-OG1 3.36Å; C3648-N3652 PolarHBondContact O-N 3.34Å; C3648-E3653 PolarHBondContact O-N 3.18Å; C3648-E3653 PolarHBondContact SG-O 3.34Å; C3648-C3655 HydrophobicContact CB-CB 4.09Å; C3648-C3655 WeakPolarHBondContact SG-CB 3.29Å; C3648-L3802 HydrophobicContact CB-CD1 4.38Å |
| 3649 | L | 94.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 4% | 0.042 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 175.2 | -69.6 | 171.4 | 0 | 0 | 0 | 112.6 | F3048 I3645 L3647 L3785 L3790 L3798 L3801 L3802 | F3048-L3649 HydrophobicContact CE1-CD2 4.26Å; F3048-L3649 HydrophobicContact CZ-CB 4.2Å; F3048-L3649 HydrophobicContact CZ-CD2 4.33Å; I3645-L3649 HydrophobicContact CG2-CD1 4.08Å; I3645-L3649 WeakPolarHBondContact O-CG 3.47Å; I3645-L3649 PolarHBondContact O-N 3.46Å; L3647-L3649 PolarHBondContact O-N 3.06Å; L3649-L3785 HydrophobicContact CB-CD1 4.21Å; L3649-L3785 HydrophobicContact CD1-CD1 4.2Å; L3649-L3790 HydrophobicContact CD1-CD2 4.46Å; L3649-L3798 HydrophobicContact CD1-CD1 4.01Å; L3649-L3798 HydrophobicContact CD2-CD1 4.34Å; L3649-L3801 HydrophobicContact CD2-CB 4.12Å; L3649-L3802 HydrophobicContact CD2-CB 4.48Å |
| 3650 | L | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | 176.3 | 178.7 | 61.8 | 0 | 0 | 0 | 112.7 | M3052 L3055 R3056 G3646 L3647 C3648 N3652 V3784 L3785 | M3052-L3650 HydrophobicContact SD-CD1 4.43Å; L3055-L3650 HydrophobicContact CB-CD1 4.11Å; L3055-L3650 HydrophobicContact CD2-CD1 3.86Å; L3055-L3650 HydrophobicContact CG-CD1 3.87Å; R3056-L3650 HydrophobicContact CB-CD1 4.17Å; G3646-L3650 WeakPolarHBondContact O-CB 3.43Å; G3646-L3650 PolarHBondContact O-N 3.34Å; G3646-L3650 VanDerWaalsContact O-N 3.08Å; L3647-L3650 WeakPolarHBondContact O-CB 3.38Å; L3647-L3650 PolarHBondContact O-N 3.03Å; L3647-L3650 VanDerWaalsContact O-N 3.16Å; C3648-L3650 VanDerWaalsContact C-N 3.35Å; C3648-L3650 PolarHBondContact O-N 3.1Å; L3650-N3652 VanDerWaalsContact C-N 3.34Å; L3650-V3784 HydrophobicContact CD2-CG1 4.1Å; L3650-L3785 HydrophobicContact CB-CD2 4.01Å; L3650-L3785 HydrophobicContact CD1-CD2 4.45Å |
| 3651 | T | 91.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 8 Ų | 8 | 7% | 0.067 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -79.5 | -15.9 | -179.7 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | R3056 I3185 L3647 C3648 | R3056-T3651 PolarHBondContact NH1-O 2.76Å; I3185-T3651 HydrophobicContact CB-CG2 4.38Å; I3185-T3651 HydrophobicContact CD1-CG2 3.47Å; I3185-T3651 VanDerWaalsContact CD1-CG2 3.47Å; I3185-T3651 HydrophobicContact CG1-CG2 3.65Å; L3647-T3651 PolarHBondContact O-N 3.22Å; L3647-T3651 PolarHBondContact O-OG1 3.09Å; C3648-T3651 PolarHBondContact O-N 2.9Å; C3648-T3651 PolarHBondContact O-OG1 3.36Å |
| 3652 | N | 91.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 8 Ų | 8 | 17% | 0.171 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 52.6 | -173 | -173 | 110 | 0 | 0 | 0 | 110.7 | R3049 C3648 L3650 | R3049-N3652 WeakPolarHBondContact CG-OD1 3.47Å; R3049-N3652 VanDerWaalsContact NH1-CG 3.33Å; R3049-N3652 PolarHBondContact NH1-ND2 3Å; R3049-N3652 VanDerWaalsContact NH1-ND2 3.17Å; R3049-N3652 PolarHBondContact NH1-OD1 2.85Å; C3648-N3652 PolarHBondContact O-N 3.34Å; L3650-N3652 VanDerWaalsContact C-N 3.34Å |
| 3653 | E | 91.1 | Very high | 94.1 | Very high | 26 Ų | 26 | 8.1 Ų | 8.1 | 12% | 0.121 | 4% | 0.042 | C | C | . | . | trans | -112.9 | 173.6 | 169.6 | -58 | -69.6 | -172.3 | 0 | 0 | 108.6 | R3201 F3204 C3648 | R3201-E3653 WeakPolarHBondContact CD-OE2 3.26Å; R3201-E3653 HydrophobicContact CG-CB 4.4Å; R3201-E3653 HydrophobicContact CG-CG 4.4Å; R3201-E3653 WeakPolarHBondContact CG-OE2 3.47Å; R3201-E3653 IonicContact NE-OE2 2.94Å; F3204-E3653 HydrophobicContact CD2-CB 3.94Å; F3204-E3653 HydrophobicContact CD2-CG 4.3Å; F3204-E3653 HydrophobicContact CE2-CB 3.92Å; F3204-E3653 HydrophobicContact CE2-CG 3.94Å; C3648-E3653 PolarHBondContact O-N 3.18Å; C3648-E3653 PolarHBondContact SG-O 3.34Å | ||
| 3654 | T | 91.1 | Very high | 94 | Very high | 11 Ų | 11 | 8 Ų | 8 | 7% | 0.067 | 4% | 0.041 | C | C | . | . | trans | -105.2 | 151.6 | 168.4 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | L3802 S3870 T3872 P3874 | T3654-L3802 CarbonylContact C-O 3.55Å; T3654-L3802 WeakPolarHBondContact CA-O 3.5Å; T3654-S3870 PolarHBondContact OG1-OG 2.93Å; T3654-T3872 PolarHBondContact OG1-OG1 2.97Å; T3654-P3874 HydrophobicContact CG2-CB 4.45Å; T3654-P3874 HydrophobicContact CG2-CG 4.4Å | ||
| 3655 | C | 91.2 | Very high | 94 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -141.6 | 113.7 | -178.5 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | F3204 S3208 C3648 L3657 L3802 | F3204-C3655 HydrophobicContact CB-CB 4.29Å; S3208-C3655 PolarHBondContact OG-SG 3.19Å; C3648-C3655 HydrophobicContact CB-CB 4.09Å; C3648-C3655 WeakPolarHBondContact SG-CB 3.29Å; C3655-L3657 PolarHBondContact O-N 3.03Å; C3655-L3657 VanDerWaalsContact SG-CD1 3.58Å; C3655-L3802 HydrophobicContact CB-CD1 3.94Å; C3655-L3802 PolarHBondContact N-O 2.99Å | ||
| 3656 | P | 90.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 10.1 Ų | 10.1 | 9% | 0.091 | 5% | 0.05 | C | C | . | . | trans | -77.7 | 44.4 | -168.4 | 30.5 | -35.8 | 0 | 0 | 0 | 114.6 | T3205 S3208 H3658 P3871 | T3205-P3656 HydrophobicContact CG2-CG 4.46Å; S3208-P3656 WeakPolarHBondContact OG-CD 3.44Å; P3656-H3658 PolarHBondContact O-N 2.7Å; P3656-H3658 PolarHBondContact O-ND1 3.19Å; P3656-P3871 HydrophobicContact CG-CG 4.41Å | ||
| 3657 | L | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -83.3 | 90.7 | 174.5 | -69.8 | 174 | 0 | 0 | 0 | 110.7 | L3212 I3641 I3645 C3655 F3659 N3803 | L3212-L3657 HydrophobicContact CD1-CD2 4.07Å; L3212-L3657 HydrophobicContact CD2-CD2 4.01Å; L3212-L3657 HydrophobicContact CG-CD2 3.94Å; I3641-L3657 HydrophobicContact CG2-CD1 4.12Å; I3645-L3657 HydrophobicContact CD1-CD1 4.09Å; I3645-L3657 HydrophobicContact CG1-CD1 3.73Å; C3655-L3657 PolarHBondContact O-N 3.03Å; C3655-L3657 VanDerWaalsContact SG-CD1 3.58Å; L3657-F3659 VanDerWaalsContact C-N 3.34Å; L3657-F3659 HydrophobicContact CB-CD2 4.19Å; L3657-F3659 HydrophobicContact CB-CE2 3.6Å; L3657-F3659 HydrophobicContact CB-CZ 3.79Å; L3657-F3659 HydrophobicContact CD1-CE2 4.07Å; L3657-F3659 HydrophobicContact CD1-CZ 4.02Å; L3657-F3659 HydrophobicContact CD2-CZ 4.25Å; L3657-F3659 HydrophobicContact CG-CE2 4.37Å; L3657-F3659 HydrophobicContact CG-CZ 4.24Å; L3657-F3659 PolarHBondContact O-N 3.06Å; L3657-N3803 PolarHBondContact O-ND2 3.48Å; L3657-N3803 PolarHBondContact O-OD1 3.36Å | ||
| 3658 | H | 93.5 | Very high | 93.9 | Very high | 47 Ų | 47 | 11.6 Ų | 11.6 | 22% | 0.218 | 6% | 0.057 | C | C | . | . | trans | -82 | 70.8 | -172.3 | -69.3 | 84.2 | 0 | 0 | 0 | 112.7 | G3608 Y3609 Y3610 P3656 N3803 | G3608-H3658 WeakPolarHBondContact O-CB 3.11Å; Y3609-H3658 WeakPolarHBondContact CA-O 3.33Å; Y3610-H3658 HydrophobicContact CD2-CB 4.36Å; Y3610-H3658 PolarHBondContact N-O 2.97Å; P3656-H3658 PolarHBondContact O-N 2.7Å; P3656-H3658 PolarHBondContact O-ND1 3.19Å; H3658-N3803 WeakPolarHBondContact CA-ND2 3.48Å; H3658-N3803 PolarHBondContact CD2-ND2 3.31Å; H3658-N3803 VanDerWaalsContact CG-ND2 3.33Å; H3658-N3803 PolarHBondContact N-ND2 3.34Å; H3658-N3803 PolarHBondContact NE2-ND2 3.18Å | ||
| 3659 | F | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -74.1 | 140.4 | -179.7 | -62.3 | -52.8 | 0 | 0 | 0 | 113.9 | F3601 Y3610 I3645 L3657 I3663 L3664 R3799 | F3601-F3659 AromaticContact CD1-CE1 3.96Å; F3601-F3659 HydrophobicContact CD1-CE1 3.96Å; F3601-F3659 HydrophobicContact CE1-CD1 4.26Å; F3601-F3659 AromaticContact CE1-CE1 3.48Å; F3601-F3659 HydrophobicContact CE1-CE1 3.48Å; F3601-F3659 VanDerWaalsContact CE1-CE1 3.48Å; F3601-F3659 HydrophobicContact CE1-CZ 4.27Å; F3601-F3659 HydrophobicContact CE2-CE1 4.22Å; F3601-F3659 AromaticContact CZ-CE1 3.62Å; F3601-F3659 HydrophobicContact CZ-CE1 3.62Å; F3601-F3659 HydrophobicContact CZ-CZ 4.01Å; Y3610-F3659 WeakPolarHBondContact O-CA 3.39Å; I3645-F3659 HydrophobicContact CD1-CE2 3.63Å; I3645-F3659 HydrophobicContact CD1-CZ 4.18Å; I3645-F3659 HydrophobicContact CG1-CE2 4.49Å; L3657-F3659 VanDerWaalsContact C-N 3.34Å; L3657-F3659 HydrophobicContact CB-CD2 4.19Å; L3657-F3659 HydrophobicContact CB-CE2 3.6Å; L3657-F3659 HydrophobicContact CB-CZ 3.79Å; L3657-F3659 HydrophobicContact CD1-CE2 4.07Å; L3657-F3659 HydrophobicContact CD1-CZ 4.02Å; L3657-F3659 HydrophobicContact CD2-CZ 4.25Å; L3657-F3659 HydrophobicContact CG-CE2 4.37Å; L3657-F3659 HydrophobicContact CG-CZ 4.24Å; L3657-F3659 PolarHBondContact O-N 3.06Å; F3659-I3663 HydrophobicContact CB-CB 4.2Å; F3659-I3663 HydrophobicContact CB-CD1 3.79Å; F3659-I3663 HydrophobicContact CB-CG2 4.22Å; F3659-I3663 HydrophobicContact CD1-CD1 4.07Å; F3659-I3663 HydrophobicContact CG-CD1 4.25Å; F3659-I3663 HydrophobicContact CG-CG2 4.21Å; F3659-L3664 HydrophobicContact CB-CD2 4.15Å; F3659-L3664 HydrophobicContact CB-CG 4.29Å; F3659-L3664 HydrophobicContact CD2-CD2 4.37Å; F3659-R3799 PolarHBondContact O-NH2 3.3Å |
| 3660 | S | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | trans | -58.3 | 154.2 | 168.4 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | Y3610 P3662 I3663 F3679 | Y3610-S3660 PolarHBondContact O-N 3.21Å; Y3610-S3660 VanDerWaalsContact O-N 3.12Å; Y3610-S3660 PolarHBondContact O-OG 3.07Å; S3660-P3662 VanDerWaalsContact C-CD 3.46Å; S3660-I3663 PolarHBondContact O-N 2.89Å; S3660-F3679 WeakPolarHBondContact CB-O 3.34Å | ||
| 3661 | R | 94.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.2 | -40 | -170.7 | -162.5 | -173.2 | -168.5 | -138.5 | 13.9 | 115.1 | S2888 I2889 I3663 L3664 K3665 D3676 F3679 A3795 E3796 | S2888-R3661 PolarHBondContact O-NH2 3.42Å; S2888-R3661 PolarHBondContact OG-NH2 2.84Å; I2889-R3661 VanDerWaalsContact CG2-NH1 3.28Å; R3661-I3663 VanDerWaalsContact C-N 3.28Å; R3661-I3663 PolarHBondContact O-N 2.94Å; R3661-L3664 PolarHBondContact O-N 3.11Å; R3661-K3665 PolarHBondContact O-N 2.87Å; R3661-D3676 IonicContact CZ-OD1 3.32Å; R3661-D3676 IonicContact NE-OD1 2.71Å; R3661-D3676 IonicContact NH1-OD1 2.78Å; R3661-D3676 PolarHBondContact NH1-OD1 2.69Å; R3661-F3679 HydrophobicContact CB-CB 3.44Å; R3661-F3679 VanDerWaalsContact CB-CB 3.44Å; R3661-F3679 HydrophobicContact CB-CD1 4.36Å; R3661-F3679 HydrophobicContact CB-CD2 4.21Å; R3661-F3679 HydrophobicContact CB-CG 3.78Å; R3661-F3679 VanDerWaalsContact CD-CD2 3.48Å; R3661-F3679 HydrophobicContact CG-CD2 4.49Å; R3661-F3679 HydrophobicContact CG-CG 4.41Å; R3661-A3795 HydrophobicContact CG-CB 3.82Å; R3661-E3796 IonicContact CZ-OE1 2.73Å; R3661-E3796 IonicContact NE-OE1 3.95Å; R3661-E3796 PolarHBondContact NE-OE1 3.16Å; R3661-E3796 IonicContact NH2-OE1 3.47Å; R3661-E3796 PolarHBondContact NH2-OE1 2.92Å; R3661-E3796 IonicContact NH2-OE2 2.71Å |
| 3662 | P | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -36.8 | -178.5 | -24.8 | 33.8 | 0 | 0 | 0 | 113.5 | F3611 S3660 L3664 K3665 Y3666 V3672 D3676 M3766 | F3611-P3662 HydrophobicContact CE2-CB 4.35Å; S3660-P3662 VanDerWaalsContact C-CD 3.46Å; P3662-L3664 PolarHBondContact O-N 2.67Å; P3662-K3665 PolarHBondContact O-N 3.04Å; P3662-Y3666 WeakPolarHBondContact O-CB 3.39Å; P3662-Y3666 PolarHBondContact O-N 3.16Å; P3662-V3672 HydrophobicContact CB-CG1 4.32Å; P3662-D3676 HydrophobicContact CG-CB 4.27Å; P3662-M3766 HydrophobicContact CB-CB 4.39Å; P3662-M3766 HydrophobicContact CB-CG 4.45Å; P3662-M3766 HydrophobicContact CB-SD 4.18Å; P3662-M3766 HydrophobicContact CG-CG 4.13Å; P3662-M3766 HydrophobicContact CG-SD 3.62Å |
| 3663 | I | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 178.8 | -57 | 150 | 0 | 0 | 0 | 110.5 | Y3610 F3611 F3659 S3660 R3661 Y3666 I3667 L3774 | Y3610-I3663 WeakPolarHBondContact O-CD1 3.35Å; F3611-I3663 HydrophobicContact CD2-CD1 3.61Å; F3611-I3663 HydrophobicContact CD2-CG1 3.9Å; F3611-I3663 HydrophobicContact CE2-CD1 4.04Å; F3611-I3663 HydrophobicContact CE2-CG1 3.79Å; F3611-I3663 HydrophobicContact CG-CD1 4.33Å; F3659-I3663 HydrophobicContact CB-CB 4.2Å; F3659-I3663 HydrophobicContact CB-CD1 3.79Å; F3659-I3663 HydrophobicContact CB-CG2 4.22Å; F3659-I3663 HydrophobicContact CD1-CD1 4.07Å; F3659-I3663 HydrophobicContact CG-CD1 4.25Å; F3659-I3663 HydrophobicContact CG-CG2 4.21Å; S3660-I3663 PolarHBondContact O-N 2.89Å; R3661-I3663 VanDerWaalsContact C-N 3.28Å; R3661-I3663 PolarHBondContact O-N 2.94Å; I3663-Y3666 PolarHBondContact O-N 3.3Å; I3663-Y3666 VanDerWaalsContact O-N 3.17Å; I3663-I3667 HydrophobicContact CG2-CD1 3.98Å; I3663-I3667 WeakPolarHBondContact O-CG1 3.35Å; I3663-I3667 PolarHBondContact O-N 2.87Å; I3663-L3774 HydrophobicContact CB-CD2 4.22Å; I3663-L3774 HydrophobicContact CG1-CD2 3.88Å; I3663-L3774 HydrophobicContact CG2-CD2 4.06Å |
| 3664 | L | 96.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | 179.3 | -60.3 | 177.5 | 0 | 0 | 0 | 110.6 | F3659 R3661 P3662 L3668 A3795 L3798 R3799 | F3659-L3664 HydrophobicContact CB-CD2 4.15Å; F3659-L3664 HydrophobicContact CB-CG 4.29Å; F3659-L3664 HydrophobicContact CD2-CD2 4.37Å; R3661-L3664 PolarHBondContact O-N 3.11Å; P3662-L3664 PolarHBondContact O-N 2.67Å; L3664-L3668 WeakPolarHBondContact O-CB 3.37Å; L3664-L3668 WeakPolarHBondContact O-CD1 3.42Å; L3664-L3668 WeakPolarHBondContact O-CG 3.47Å; L3664-L3668 PolarHBondContact O-N 2.95Å; L3664-A3795 HydrophobicContact CB-CB 3.86Å; L3664-L3798 HydrophobicContact CB-CD2 4.35Å; L3664-L3798 HydrophobicContact CD2-CD2 4.03Å; L3664-L3798 HydrophobicContact CD2-CG 4.32Å; L3664-R3799 HydrophobicContact CD1-CB 3.84Å; L3664-R3799 HydrophobicContact CD1-CG 4.36Å |
| 3665 | K | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 168.5 | -88.3 | -163.4 | 172 | -170.6 | 0 | 112.3 | S2886 S2888 R3661 P3662 L3668 G3669 R3670 V3671 V3672 D3676 A3795 | S2886-K3665 PolarHBondContact OG-NZ 2.82Å; S2888-K3665 VanDerWaalsContact OG-CE 3.28Å; S2888-K3665 WeakPolarHBondContact OG-CE 3.39Å; R3661-K3665 PolarHBondContact O-N 2.87Å; P3662-K3665 PolarHBondContact O-N 3.04Å; K3665-L3668 CarbonylContact O-C 3.48Å; K3665-L3668 PolarHBondContact O-N 2.74Å; K3665-G3669 PolarHBondContact O-N 3.3Å; K3665-R3670 HydrophobicContact CB-CB 4.2Å; K3665-R3670 HydrophobicContact CD-CB 4.33Å; K3665-R3670 HydrophobicContact CG-CB 4.05Å; K3665-R3670 PolarHBondContact O-N 2.87Å; K3665-V3671 WeakPolarHBondContact CD-O 3.5Å; K3665-V3671 PolarHBondContact NZ-O 3.38Å; K3665-V3672 HydrophobicContact CB-CG2 4.42Å; K3665-D3676 WeakPolarHBondContact CD-OD1 3.47Å; K3665-D3676 WeakPolarHBondContact CD-OD2 3.46Å; K3665-D3676 WeakPolarHBondContact CE-OD1 3.24Å; K3665-D3676 VanDerWaalsContact CE-OD2 3.31Å; K3665-D3676 WeakPolarHBondContact CE-OD2 3.39Å; K3665-D3676 IonicContact NZ-OD1 3.94Å; K3665-D3676 PolarHBondContact NZ-OD1 3.14Å; K3665-D3676 IonicContact NZ-OD2 2.95Å; K3665-D3676 PolarHBondContact NZ-OD2 3.35Å; K3665-A3795 HydrophobicContact CG-CB 4.42Å |
| 3666 | Y | 95.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 21 Ų | 21 | 19% | 0.188 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 179.5 | -166.7 | -79.1 | 0 | 0 | 0 | 112.2 | P3662 I3663 L3668 G3669 L3774 E3775 R3778 | P3662-Y3666 WeakPolarHBondContact O-CB 3.39Å; P3662-Y3666 PolarHBondContact O-N 3.16Å; I3663-Y3666 PolarHBondContact O-N 3.3Å; I3663-Y3666 VanDerWaalsContact O-N 3.17Å; Y3666-L3668 VanDerWaalsContact C-N 3.32Å; Y3666-L3668 PolarHBondContact O-N 3.17Å; Y3666-G3669 PolarHBondContact O-N 3.11Å; Y3666-L3774 HydrophobicContact CD1-CB 3.78Å; Y3666-L3774 HydrophobicContact CD2-CB 4.35Å; Y3666-L3774 HydrophobicContact CD2-CD1 4.13Å; Y3666-L3774 HydrophobicContact CE1-CB 3.86Å; Y3666-L3774 HydrophobicContact CE2-CB 4.4Å; Y3666-L3774 HydrophobicContact CG-CB 4.08Å; Y3666-L3774 HydrophobicContact CG-CD1 4.31Å; Y3666-E3775 HydrophobicContact CE1-CB 4.46Å; Y3666-E3775 WeakPolarHBondContact CE1-OE2 3.34Å; Y3666-E3775 PolarHBondContact OH-OE2 3.49Å; Y3666-R3778 HydrophobicContact CD1-CB 4.12Å; Y3666-R3778 HydrophobicContact CE1-CB 3.99Å; Y3666-R3778 VanDerWaalsContact CE1-CD 3.45Å; Y3666-R3778 HydrophobicContact CE1-CG 4.36Å; Y3666-R3778 PolarHBondContact O-NH1 3.4Å |
| 3667 | I | 95.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.9 | -68.3 | 169.7 | 0 | 0 | 0 | 110.9 | I3663 G3669 R3778 V3781 L3790 L3798 | I3663-I3667 HydrophobicContact CG2-CD1 3.98Å; I3663-I3667 WeakPolarHBondContact O-CG1 3.35Å; I3663-I3667 PolarHBondContact O-N 2.87Å; I3667-G3669 VanDerWaalsContact C-N 3.27Å; I3667-G3669 PolarHBondContact O-N 3.5Å; I3667-R3778 PolarHBondContact O-NH1 3.01Å; I3667-V3781 HydrophobicContact CG2-CB 4.45Å; I3667-V3781 HydrophobicContact CG2-CG1 4.41Å; I3667-V3781 HydrophobicContact CG2-CG2 4.1Å; I3667-L3790 HydrophobicContact CG2-CD1 4.27Å; I3667-L3798 HydrophobicContact CG2-CD2 4.32Å |
| 3668 | L | 94.7 | Very high | 94.5 | Very high | 28 Ų | 28 | 20.4 Ų | 20.4 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.7 | -16.5 | 173.2 | -67.1 | 168.6 | 0 | 0 | 0 | 113.8 | L3664 K3665 Y3666 R3670 L3790 L3793 T3794 L3798 | L3664-L3668 WeakPolarHBondContact O-CB 3.37Å; L3664-L3668 WeakPolarHBondContact O-CD1 3.42Å; L3664-L3668 WeakPolarHBondContact O-CG 3.47Å; L3664-L3668 PolarHBondContact O-N 2.95Å; K3665-L3668 CarbonylContact O-C 3.48Å; K3665-L3668 PolarHBondContact O-N 2.74Å; Y3666-L3668 VanDerWaalsContact C-N 3.32Å; Y3666-L3668 PolarHBondContact O-N 3.17Å; L3668-R3670 HydrophobicContact CB-CG 4.04Å; L3668-L3790 HydrophobicContact CD2-CB 3.73Å; L3668-L3790 HydrophobicContact CD2-CD1 4.19Å; L3668-L3790 HydrophobicContact CD2-CG 4.49Å; L3668-L3793 HydrophobicContact CD2-CB 4.15Å; L3668-T3794 WeakPolarHBondContact CD1-O 3.34Å; L3668-L3798 HydrophobicContact CD1-CB 4.38Å; L3668-L3798 HydrophobicContact CD1-CD2 4.22Å; L3668-L3798 HydrophobicContact CD2-CD2 4.02Å; L3668-L3798 HydrophobicContact CG-CD2 3.86Å |
| 3669 | G | 92.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 19.1 Ų | 19.1 | 49% | 0.485 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 23.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K3665 Y3666 I3667 R3778 | K3665-G3669 PolarHBondContact O-N 3.3Å; Y3666-G3669 PolarHBondContact O-N 3.11Å; I3667-G3669 VanDerWaalsContact C-N 3.27Å; I3667-G3669 PolarHBondContact O-N 3.5Å; G3669-R3778 VanDerWaalsContact CA-NH1 3.25Å |
| 3670 | R | 91.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 19.4 Ų | 19.4 | 26% | 0.26 | 11% | 0.108 | S | C | . | . | P | Polyproline II helix | trans | -89.3 | 142.6 | 177 | -67.5 | 174.9 | 173.4 | -93 | 1.4 | 110.2 | K3665 L3668 L3793 | K3665-R3670 HydrophobicContact CB-CB 4.2Å; K3665-R3670 HydrophobicContact CD-CB 4.33Å; K3665-R3670 HydrophobicContact CG-CB 4.05Å; K3665-R3670 PolarHBondContact O-N 2.87Å; L3668-R3670 HydrophobicContact CB-CG 4.04Å; R3670-L3793 PolarHBondContact NE-O 3.39Å; R3670-L3793 VanDerWaalsContact NE-O 3.08Å; R3670-L3793 PolarHBondContact NH2-O 3.27Å |
| 3671 | V | 92 | Very high | 94.5 | Very high | 108 Ų | 108 | 20.1 Ų | 20.1 | 66% | 0.655 | 11% | 0.112 | S | C | * | . | P | Polyproline II helix | trans | -65.1 | 134.6 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | K3665 H3673 | K3665-V3671 WeakPolarHBondContact CD-O 3.5Å; K3665-V3671 PolarHBondContact NZ-O 3.38Å; V3671-H3673 PolarHBondContact O-CE1 3.49Å; V3671-H3673 PolarHBondContact O-ND1 3.43Å |
| 3672 | V | 92.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 20.5 Ų | 20.5 | 19% | 0.194 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 136.5 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | P3662 K3665 D3676 M3766 | P3662-V3672 HydrophobicContact CB-CG1 4.32Å; K3665-V3672 HydrophobicContact CB-CG2 4.42Å; V3672-D3676 WeakPolarHBondContact CA-OD2 3.27Å; V3672-D3676 HydrophobicContact CG1-CB 3.73Å; V3672-M3766 HydrophobicContact CG1-CB 4.41Å; V3672-M3766 HydrophobicContact CG1-CE 3.53Å; V3672-M3766 HydrophobicContact CG1-SD 3.65Å |
| 3673 | H | 94 | Very high | 94.3 | Very high | 32 Ų | 32 | 24.2 Ų | 24.2 | 15% | 0.148 | 14% | 0.138 | C | C | . | . | trans | -128.9 | 172.4 | -173.6 | -66.3 | 61 | 0 | 0 | 0 | 110.3 | F2882 S2886 V3671 H3675 D3676 | F2882-H3673 WeakPolarHBondContact O-CB 3.26Å; S2886-H3673 WeakPolarHBondContact CB-NE2 3.17Å; V3671-H3673 PolarHBondContact O-CE1 3.49Å; V3671-H3673 PolarHBondContact O-ND1 3.43Å; H3673-H3675 WeakPolarHBondContact CB-CE1 3.37Å; H3673-H3675 AromaticContact CD2-CE1 3.96Å; H3673-H3675 AromaticContact CG-CE1 3.69Å; H3673-H3675 PolarHBondContact O-N 3.35Å; H3673-D3676 PolarHBondContact N-OD2 2.78Å; H3673-D3676 WeakPolarHBondContact O-CB 3.29Å; H3673-D3676 PolarHBondContact O-N 3.21Å | ||
| 3674 | W | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -47.3 | -50.2 | 178.1 | 169.7 | -129.7 | 0 | 0 | 0 | 113.8 | F2882 F2883 D3676 F3677 F3685 L3688 R3689 V3758 T3762 | F2882-W3674 HydrophobicContact CD1-CB 4.02Å; F2882-W3674 HydrophobicContact CE1-CB 3.78Å; F2882-W3674 HydrophobicContact CZ-CB 4.37Å; F2882-W3674 WeakPolarHBondContact O-CB 3.06Å; F2882-W3674 PolarHBondContact O-N 2.58Å; F2883-W3674 HydrophobicContact CD1-CB 3.81Å; F2883-W3674 AromaticContact CD1-CD1 3.78Å; F2883-W3674 HydrophobicContact CD1-CD2 4.24Å; F2883-W3674 AromaticContact CD1-CG 3.67Å; F2883-W3674 HydrophobicContact CD1-CG 3.67Å; F2883-W3674 HydrophobicContact CE1-CB 4.29Å; F2883-W3674 HydrophobicContact CE1-CD2 4.17Å; F2883-W3674 HydrophobicContact CE1-CG 4.05Å; W3674-D3676 PolarHBondContact O-N 2.85Å; W3674-D3676 VanDerWaalsContact O-N 3.12Å; W3674-F3677 HydrophobicContact CE3-CB 4.45Å; W3674-F3677 HydrophobicContact CZ3-CD1 4.08Å; W3674-F3677 VanDerWaalsContact O-CB 3.27Å; W3674-F3677 WeakPolarHBondContact O-CB 3.47Å; W3674-F3677 PolarHBondContact O-N 2.98Å; W3674-F3685 HydrophobicContact CD2-CD2 4.27Å; W3674-F3685 AromaticContact CD2-CE2 3.69Å; W3674-F3685 HydrophobicContact CD2-CE2 3.69Å; W3674-F3685 AromaticContact CE2-CD2 3.99Å; W3674-F3685 AromaticContact CE2-CE2 3.28Å; W3674-F3685 AromaticContact CE2-CZ 3.76Å; W3674-F3685 HydrophobicContact CE3-CD2 4.21Å; W3674-F3685 HydrophobicContact CE3-CE2 4.09Å; W3674-F3685 HydrophobicContact CG-CE2 4.28Å; W3674-F3685 AromaticContact CH2-CD2 3.54Å; W3674-F3685 HydrophobicContact CH2-CD2 3.54Å; W3674-F3685 AromaticContact CH2-CE2 3.74Å; W3674-F3685 HydrophobicContact CH2-CE2 3.74Å; W3674-F3685 HydrophobicContact CH2-CG 4.17Å; W3674-F3685 HydrophobicContact CH2-CZ 4.47Å; W3674-F3685 AromaticContact CZ2-CD2 3.64Å; W3674-F3685 HydrophobicContact CZ2-CD2 3.64Å; W3674-F3685 HydrophobicContact CZ2-CE1 4.37Å; W3674-F3685 AromaticContact CZ2-CE2 3.33Å; W3674-F3685 HydrophobicContact CZ2-CE2 3.33Å; W3674-F3685 HydrophobicContact CZ2-CG 4.3Å; W3674-F3685 AromaticContact CZ2-CZ 3.74Å; W3674-F3685 HydrophobicContact CZ2-CZ 3.74Å; W3674-F3685 AromaticContact CZ3-CD2 3.85Å; W3674-F3685 HydrophobicContact CZ3-CD2 3.85Å; W3674-F3685 HydrophobicContact CZ3-CE2 4.11Å; W3674-F3685 AromaticContact NE1-CE2 3.69Å; W3674-F3685 AromaticContact NE1-CZ 3.8Å; W3674-L3688 HydrophobicContact CH2-CB 3.76Å; W3674-L3688 HydrophobicContact CZ3-CB 4.33Å; W3674-L3688 HydrophobicContact CZ3-CD1 4.36Å; W3674-R3689 HydrophobicContact CZ2-CB 4.42Å; W3674-V3758 HydrophobicContact CE3-CG1 4Å; W3674-V3758 HydrophobicContact CH2-CG1 4.22Å; W3674-V3758 HydrophobicContact CZ3-CG1 3.68Å; W3674-T3762 HydrophobicContact CE3-CG2 4.12Å; W3674-T3762 HydrophobicContact CZ3-CG2 3.85Å |
| 3675 | H | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -11.9 | 179.3 | 54.3 | -91.8 | 0 | 0 | 0 | 115 | R2884 S2886 I2889 L2899 L2908 H3673 F3677 F3679 | R2884-H3675 PolarHBondContact O-CE1 2.97Å; S2886-H3675 PolarHBondContact N-CE1 3.34Å; S2886-H3675 PolarHBondContact OG-CE1 3.15Å; S2886-H3675 PolarHBondContact OG-NE2 2.82Å; I2889-H3675 HydrophobicContact CD1-CB 3.97Å; I2889-H3675 VanDerWaalsContact CD1-CD2 3.49Å; I2889-H3675 WeakPolarHBondContact CD1-CD2 3.33Å; I2889-H3675 VanDerWaalsContact CD1-CG 3.43Å; L2899-H3675 HydrophobicContact CD1-CB 3.76Å; L2899-H3675 HydrophobicContact CD2-CB 4.07Å; L2908-H3675 HydrophobicContact CD1-CB 3.74Å; L2908-H3675 HydrophobicContact CD2-CB 4.42Å; H3673-H3675 WeakPolarHBondContact CB-CE1 3.37Å; H3673-H3675 AromaticContact CD2-CE1 3.96Å; H3673-H3675 AromaticContact CG-CE1 3.69Å; H3673-H3675 PolarHBondContact O-N 3.35Å; H3675-F3677 VanDerWaalsContact C-N 3.31Å; H3675-F3679 WeakPolarHBondContact O-CD2 3.39Å; H3675-F3679 WeakPolarHBondContact O-CE2 3.44Å |
| 3676 | D | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -76.6 | -22.6 | 171.7 | -63.1 | -57.6 | 0 | 0 | 0 | 111.9 | R3661 P3662 K3665 V3672 H3673 W3674 A3678 F3679 Y3680 M3766 | R3661-D3676 IonicContact CZ-OD1 3.32Å; R3661-D3676 IonicContact NE-OD1 2.71Å; R3661-D3676 IonicContact NH1-OD1 2.78Å; R3661-D3676 PolarHBondContact NH1-OD1 2.69Å; P3662-D3676 HydrophobicContact CG-CB 4.27Å; K3665-D3676 WeakPolarHBondContact CD-OD1 3.47Å; K3665-D3676 WeakPolarHBondContact CD-OD2 3.46Å; K3665-D3676 WeakPolarHBondContact CE-OD1 3.24Å; K3665-D3676 VanDerWaalsContact CE-OD2 3.31Å; K3665-D3676 WeakPolarHBondContact CE-OD2 3.39Å; K3665-D3676 IonicContact NZ-OD1 3.94Å; K3665-D3676 PolarHBondContact NZ-OD1 3.14Å; K3665-D3676 IonicContact NZ-OD2 2.95Å; K3665-D3676 PolarHBondContact NZ-OD2 3.35Å; V3672-D3676 WeakPolarHBondContact CA-OD2 3.27Å; V3672-D3676 HydrophobicContact CG1-CB 3.73Å; H3673-D3676 PolarHBondContact N-OD2 2.78Å; H3673-D3676 WeakPolarHBondContact O-CB 3.29Å; H3673-D3676 PolarHBondContact O-N 3.21Å; W3674-D3676 PolarHBondContact O-N 2.85Å; W3674-D3676 VanDerWaalsContact O-N 3.12Å; D3676-A3678 VanDerWaalsContact C-N 3.32Å; D3676-A3678 PolarHBondContact O-N 2.81Å; D3676-F3679 PolarHBondContact O-N 3.12Å; D3676-F3679 VanDerWaalsContact O-N 3.09Å; D3676-Y3680 PolarHBondContact O-N 3.46Å; D3676-M3766 HydrophobicContact CB-SD 4.17Å |
| 3677 | F | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -30.9 | 177.4 | -169.1 | -106.8 | 0 | 0 | 0 | 112.3 | W3674 H3675 F3679 Y3680 D3681 T3684 F3685 L3688 Y3761 T3762 K3765 M3766 | W3674-F3677 HydrophobicContact CE3-CB 4.45Å; W3674-F3677 HydrophobicContact CZ3-CD1 4.08Å; W3674-F3677 VanDerWaalsContact O-CB 3.27Å; W3674-F3677 WeakPolarHBondContact O-CB 3.47Å; W3674-F3677 PolarHBondContact O-N 2.98Å; H3675-F3677 VanDerWaalsContact C-N 3.31Å; F3677-F3679 PolarHBondContact O-N 2.85Å; F3677-F3679 VanDerWaalsContact O-N 3.14Å; F3677-Y3680 HydrophobicContact CD2-CD1 4.04Å; F3677-Y3680 HydrophobicContact CD2-CG 4.36Å; F3677-Y3680 AromaticContact CE2-CD1 3.53Å; F3677-Y3680 HydrophobicContact CE2-CD1 3.53Å; F3677-Y3680 HydrophobicContact CE2-CE1 4.04Å; F3677-Y3680 HydrophobicContact CE2-CG 4.26Å; F3677-Y3680 HydrophobicContact CZ-CD1 4.09Å; F3677-Y3680 WeakPolarHBondContact O-CA 3.47Å; F3677-Y3680 WeakPolarHBondContact O-CB 3.41Å; F3677-Y3680 PolarHBondContact O-N 3.43Å; F3677-D3681 PolarHBondContact O-N 2.98Å; F3677-T3684 HydrophobicContact CE1-CG2 3.87Å; F3677-T3684 HydrophobicContact CZ-CG2 3.98Å; F3677-F3685 HydrophobicContact CB-CD2 4.26Å; F3677-F3685 HydrophobicContact CD1-CB 3.92Å; F3677-F3685 HydrophobicContact CD1-CD2 4.18Å; F3677-F3685 HydrophobicContact CE1-CB 4.41Å; F3677-L3688 HydrophobicContact CE1-CD1 3.93Å; F3677-Y3761 HydrophobicContact CZ-CE1 4.23Å; F3677-T3762 HydrophobicContact CB-CG2 4.25Å; F3677-T3762 HydrophobicContact CD1-CG2 3.83Å; F3677-T3762 HydrophobicContact CD2-CG2 3.78Å; F3677-T3762 HydrophobicContact CE1-CG2 4.11Å; F3677-T3762 HydrophobicContact CE2-CG2 4.05Å; F3677-T3762 HydrophobicContact CG-CG2 3.67Å; F3677-T3762 HydrophobicContact CZ-CG2 4.22Å; F3677-K3765 HydrophobicContact CE2-CB 4.15Å; F3677-K3765 HydrophobicContact CE2-CD 4.34Å; F3677-K3765 HydrophobicContact CZ-CD 4.42Å; F3677-M3766 VanDerWaalsContact CA-SD 3.55Å; F3677-M3766 HydrophobicContact CB-CE 3.89Å; F3677-M3766 HydrophobicContact CB-SD 3.88Å; F3677-M3766 HydrophobicContact CD2-CE 4.19Å; F3677-M3766 HydrophobicContact CD2-CG 3.85Å; F3677-M3766 HydrophobicContact CD2-SD 3.99Å; F3677-M3766 HydrophobicContact CG-SD 4.46Å |
| 3678 | A | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2904 L2908 A2911 D3676 P3682 F3685 | L2904-A3678 HydrophobicContact CD1-CB 3.62Å; L2904-A3678 HydrophobicContact CD2-CB 4.37Å; L2908-A3678 HydrophobicContact CD1-CB 3.88Å; A2911-A3678 HydrophobicContact CB-CB 4.08Å; D3676-A3678 VanDerWaalsContact C-N 3.32Å; D3676-A3678 PolarHBondContact O-N 2.81Å; A3678-P3682 WeakPolarHBondContact O-CG 3.31Å; A3678-F3685 HydrophobicContact CB-CB 4.31Å; A3678-F3685 HydrophobicContact CB-CD1 3.99Å; A3678-F3685 HydrophobicContact CB-CD2 3.7Å; A3678-F3685 HydrophobicContact CB-CE1 4.25Å; A3678-F3685 HydrophobicContact CB-CE2 3.95Å; A3678-F3685 HydrophobicContact CB-CG 3.72Å; A3678-F3685 HydrophobicContact CB-CZ 4.23Å |
| 3679 | F | 95.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 26.2 Ų | 26.2 | 9% | 0.088 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.5 | 174.8 | -56.7 | -90.6 | 0 | 0 | 0 | 113.2 | L2908 L2910 A2911 F2927 S3660 R3661 H3675 D3676 F3677 | L2908-F3679 HydrophobicContact CD1-CE2 4.39Å; L2910-F3679 HydrophobicContact CB-CE1 4.2Å; L2910-F3679 HydrophobicContact CD2-CE1 4.29Å; L2910-F3679 HydrophobicContact CG-CE1 4.01Å; A2911-F3679 HydrophobicContact CB-CD1 3.99Å; A2911-F3679 HydrophobicContact CB-CE1 3.77Å; A2911-F3679 HydrophobicContact CB-CE2 4.42Å; A2911-F3679 HydrophobicContact CB-CG 4.41Å; A2911-F3679 HydrophobicContact CB-CZ 4Å; F2927-F3679 HydrophobicContact CE1-CZ 4.16Å; S3660-F3679 WeakPolarHBondContact CB-O 3.34Å; R3661-F3679 HydrophobicContact CB-CB 3.44Å; R3661-F3679 VanDerWaalsContact CB-CB 3.44Å; R3661-F3679 HydrophobicContact CB-CD1 4.36Å; R3661-F3679 HydrophobicContact CB-CD2 4.21Å; R3661-F3679 HydrophobicContact CB-CG 3.78Å; R3661-F3679 VanDerWaalsContact CD-CD2 3.48Å; R3661-F3679 HydrophobicContact CG-CD2 4.49Å; R3661-F3679 HydrophobicContact CG-CG 4.41Å; H3675-F3679 WeakPolarHBondContact O-CD2 3.39Å; H3675-F3679 WeakPolarHBondContact O-CE2 3.44Å; D3676-F3679 PolarHBondContact O-N 3.12Å; D3676-F3679 VanDerWaalsContact O-N 3.09Å; F3677-F3679 PolarHBondContact O-N 2.85Å; F3677-F3679 VanDerWaalsContact O-N 3.14Å |
| 3680 | Y | 94.7 | Very high | 93.5 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -61.9 | 165.5 | 175.9 | -94.5 | 0 | 0 | 0 | 108.5 | W3602 P3604 G3605 F3611 D3676 F3677 E3721 K3765 M3766 | W3602-Y3680 WeakPolarHBondContact CZ2-OH 3.18Å; P3604-Y3680 HydrophobicContact CB-CD1 4.28Å; P3604-Y3680 HydrophobicContact CB-CD2 4.29Å; P3604-Y3680 HydrophobicContact CB-CE1 3.9Å; P3604-Y3680 HydrophobicContact CB-CE2 3.9Å; P3604-Y3680 HydrophobicContact CB-CG 4.47Å; P3604-Y3680 HydrophobicContact CG-CD2 3.91Å; P3604-Y3680 HydrophobicContact CG-CE2 3.83Å; P3604-Y3680 HydrophobicContact CG-CG 4.31Å; G3605-Y3680 PolarHBondContact N-O 3.25Å; F3611-Y3680 HydrophobicContact CD1-CD2 4.28Å; F3611-Y3680 AromaticContact CD1-CE2 3.61Å; F3611-Y3680 HydrophobicContact CD1-CE2 3.61Å; F3611-Y3680 AromaticContact CD2-CD2 3.72Å; F3611-Y3680 HydrophobicContact CD2-CD2 3.72Å; F3611-Y3680 AromaticContact CD2-CE2 3.91Å; F3611-Y3680 HydrophobicContact CD2-CE2 3.91Å; F3611-Y3680 HydrophobicContact CE1-CD2 4.21Å; F3611-Y3680 AromaticContact CE1-CE2 3.64Å; F3611-Y3680 HydrophobicContact CE1-CE2 3.64Å; F3611-Y3680 AromaticContact CE2-CD2 3.69Å; F3611-Y3680 HydrophobicContact CE2-CD2 3.69Å; F3611-Y3680 AromaticContact CE2-CE2 3.98Å; F3611-Y3680 HydrophobicContact CE2-CE2 3.98Å; F3611-Y3680 HydrophobicContact CG-CD2 4.04Å; F3611-Y3680 AromaticContact CG-CE2 3.75Å; F3611-Y3680 HydrophobicContact CG-CE2 3.75Å; F3611-Y3680 AromaticContact CZ-CD2 3.95Å; F3611-Y3680 HydrophobicContact CZ-CD2 3.95Å; F3611-Y3680 AromaticContact CZ-CE2 3.85Å; F3611-Y3680 HydrophobicContact CZ-CE2 3.85Å; D3676-Y3680 PolarHBondContact O-N 3.46Å; F3677-Y3680 HydrophobicContact CD2-CD1 4.04Å; F3677-Y3680 HydrophobicContact CD2-CG 4.36Å; F3677-Y3680 AromaticContact CE2-CD1 3.53Å; F3677-Y3680 HydrophobicContact CE2-CD1 3.53Å; F3677-Y3680 HydrophobicContact CE2-CE1 4.04Å; F3677-Y3680 HydrophobicContact CE2-CG 4.26Å; F3677-Y3680 HydrophobicContact CZ-CD1 4.09Å; F3677-Y3680 WeakPolarHBondContact O-CA 3.47Å; F3677-Y3680 WeakPolarHBondContact O-CB 3.41Å; F3677-Y3680 PolarHBondContact O-N 3.43Å; Y3680-E3721 PolarHBondContact OH-OE1 2.83Å; Y3680-K3765 HydrophobicContact CE1-CB 4.07Å; Y3680-K3765 HydrophobicContact CE1-CD 4.13Å; Y3680-M3766 HydrophobicContact CD2-CG 4.5Å; Y3680-M3766 HydrophobicContact CG-CG 4.44Å |
| 3681 | D | 94 | Very high | 93.4 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | trans | -142.2 | 110.9 | 172.9 | 173 | 22.6 | 0 | 0 | 0 | 110.7 | F3677 T3683 T3684 F3685 | F3677-D3681 PolarHBondContact O-N 2.98Å; D3681-T3683 VanDerWaalsContact CG-OG1 3.28Å; D3681-T3683 PolarHBondContact O-N 3.18Å; D3681-T3683 WeakPolarHBondContact OD1-CB 3.48Å; D3681-T3683 PolarHBondContact OD1-N 2.95Å; D3681-T3683 PolarHBondContact OD1-OG1 2.98Å; D3681-T3683 PolarHBondContact OD2-OG1 2.87Å; D3681-T3684 WeakPolarHBondContact OD2-CB 3.37Å; D3681-T3684 PolarHBondContact OD2-N 3.38Å; D3681-T3684 PolarHBondContact OD2-OG1 3.1Å; D3681-F3685 VanDerWaalsContact O-CB 3.28Å; D3681-F3685 WeakPolarHBondContact O-CB 3.49Å; D3681-F3685 PolarHBondContact O-N 2.9Å; D3681-F3685 VanDerWaalsContact O-N 3.16Å | ||
| 3682 | P | 94 | Very high | 93.3 | Very high | 11 Ų | 11 | 20.2 Ų | 20.2 | 7% | 0.071 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.8 | -30.2 | 173.3 | -25.7 | 34.7 | 0 | 0 | 0 | 114.6 | L2904 L2912 L3606 A3678 E3686 | L2904-P3682 HydrophobicContact CD2-CB 3.7Å; L2912-P3682 HydrophobicContact CD2-CB 3.77Å; L2912-P3682 HydrophobicContact CD2-CG 4.25Å; L3606-P3682 HydrophobicContact CD2-CG 4.42Å; L3606-P3682 HydrophobicContact CG-CG 4.15Å; A3678-P3682 WeakPolarHBondContact O-CG 3.31Å; P3682-E3686 PolarHBondContact O-N 3.04Å; P3682-E3686 VanDerWaalsContact O-N 3.11Å |
| 3683 | T | 93.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 20.9 Ų | 20.9 | 49% | 0.491 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -80.8 | -49.9 | -170.1 | 66.7 | 0 | 0 | 0 | 0 | 112 | D3681 F3685 E3686 G3687 | D3681-T3683 VanDerWaalsContact CG-OG1 3.28Å; D3681-T3683 PolarHBondContact O-N 3.18Å; D3681-T3683 WeakPolarHBondContact OD1-CB 3.48Å; D3681-T3683 PolarHBondContact OD1-N 2.95Å; D3681-T3683 PolarHBondContact OD1-OG1 2.98Å; D3681-T3683 PolarHBondContact OD2-OG1 2.87Å; T3683-F3685 VanDerWaalsContact C-N 3.28Å; T3683-F3685 PolarHBondContact O-N 2.85Å; T3683-E3686 PolarHBondContact O-N 3.02Å; T3683-G3687 PolarHBondContact O-N 3.17Å |
| 3684 | T | 92.9 | Very high | 92 | Very high | 29 Ų | 29 | 23 Ų | 23 | 18% | 0.178 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -32.9 | 170.3 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | F3677 D3681 G3687 L3688 Y3761 | F3677-T3684 HydrophobicContact CE1-CG2 3.87Å; F3677-T3684 HydrophobicContact CZ-CG2 3.98Å; D3681-T3684 WeakPolarHBondContact OD2-CB 3.37Å; D3681-T3684 PolarHBondContact OD2-N 3.38Å; D3681-T3684 PolarHBondContact OD2-OG1 3.1Å; T3684-G3687 PolarHBondContact O-N 2.71Å; T3684-L3688 HydrophobicContact CG2-CD1 3.89Å; T3684-L3688 HydrophobicContact CG2-CG 4.1Å; T3684-L3688 WeakPolarHBondContact O-CB 3.39Å; T3684-L3688 VanDerWaalsContact O-CG 3.25Å; T3684-L3688 WeakPolarHBondContact O-CG 3.43Å; T3684-L3688 PolarHBondContact O-N 3.13Å; T3684-Y3761 HydrophobicContact CG2-CE1 3.98Å |
| 3685 | F | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 173 | 177.1 | -87.1 | 0 | 0 | 0 | 111.9 | L2904 W3674 F3677 A3678 D3681 T3683 L3688 R3689 | L2904-F3685 HydrophobicContact CB-CD1 4.48Å; L2904-F3685 HydrophobicContact CB-CE1 4.44Å; L2904-F3685 HydrophobicContact CD1-CD1 3.96Å; L2904-F3685 HydrophobicContact CD1-CE1 3.77Å; L2904-F3685 HydrophobicContact CD2-CD1 4.11Å; L2904-F3685 HydrophobicContact CG-CD1 4.41Å; W3674-F3685 HydrophobicContact CD2-CD2 4.27Å; W3674-F3685 AromaticContact CD2-CE2 3.69Å; W3674-F3685 HydrophobicContact CD2-CE2 3.69Å; W3674-F3685 AromaticContact CE2-CD2 3.99Å; W3674-F3685 AromaticContact CE2-CE2 3.28Å; W3674-F3685 AromaticContact CE2-CZ 3.76Å; W3674-F3685 HydrophobicContact CE3-CD2 4.21Å; W3674-F3685 HydrophobicContact CE3-CE2 4.09Å; W3674-F3685 HydrophobicContact CG-CE2 4.28Å; W3674-F3685 AromaticContact CH2-CD2 3.54Å; W3674-F3685 HydrophobicContact CH2-CD2 3.54Å; W3674-F3685 AromaticContact CH2-CE2 3.74Å; W3674-F3685 HydrophobicContact CH2-CE2 3.74Å; W3674-F3685 HydrophobicContact CH2-CG 4.17Å; W3674-F3685 HydrophobicContact CH2-CZ 4.47Å; W3674-F3685 AromaticContact CZ2-CD2 3.64Å; W3674-F3685 HydrophobicContact CZ2-CD2 3.64Å; W3674-F3685 HydrophobicContact CZ2-CE1 4.37Å; W3674-F3685 AromaticContact CZ2-CE2 3.33Å; W3674-F3685 HydrophobicContact CZ2-CE2 3.33Å; W3674-F3685 HydrophobicContact CZ2-CG 4.3Å; W3674-F3685 AromaticContact CZ2-CZ 3.74Å; W3674-F3685 HydrophobicContact CZ2-CZ 3.74Å; W3674-F3685 AromaticContact CZ3-CD2 3.85Å; W3674-F3685 HydrophobicContact CZ3-CD2 3.85Å; W3674-F3685 HydrophobicContact CZ3-CE2 4.11Å; W3674-F3685 AromaticContact NE1-CE2 3.69Å; W3674-F3685 AromaticContact NE1-CZ 3.8Å; F3677-F3685 HydrophobicContact CB-CD2 4.26Å; F3677-F3685 HydrophobicContact CD1-CB 3.92Å; F3677-F3685 HydrophobicContact CD1-CD2 4.18Å; F3677-F3685 HydrophobicContact CE1-CB 4.41Å; A3678-F3685 HydrophobicContact CB-CB 4.31Å; A3678-F3685 HydrophobicContact CB-CD1 3.99Å; A3678-F3685 HydrophobicContact CB-CD2 3.7Å; A3678-F3685 HydrophobicContact CB-CE1 4.25Å; A3678-F3685 HydrophobicContact CB-CE2 3.95Å; A3678-F3685 HydrophobicContact CB-CG 3.72Å; A3678-F3685 HydrophobicContact CB-CZ 4.23Å; D3681-F3685 VanDerWaalsContact O-CB 3.28Å; D3681-F3685 WeakPolarHBondContact O-CB 3.49Å; D3681-F3685 PolarHBondContact O-N 2.9Å; D3681-F3685 VanDerWaalsContact O-N 3.16Å; T3683-F3685 VanDerWaalsContact C-N 3.28Å; T3683-F3685 PolarHBondContact O-N 2.85Å; F3685-L3688 PolarHBondContact O-N 2.98Å; F3685-R3689 WeakPolarHBondContact O-CB 3.3Å; F3685-R3689 PolarHBondContact O-N 3.36Å |
| 3686 | E | 92.4 | Very high | 89.7 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 179.9 | -175.9 | 59.9 | -146.5 | 0 | 0 | 111.5 | P3682 T3683 R3689 Q3690 | P3682-E3686 PolarHBondContact O-N 3.04Å; P3682-E3686 VanDerWaalsContact O-N 3.11Å; T3683-E3686 PolarHBondContact O-N 3.02Å; E3686-R3689 VanDerWaalsContact CD-NE 3.33Å; E3686-R3689 WeakPolarHBondContact O-CB 3.42Å; E3686-R3689 PolarHBondContact O-N 2.83Å; E3686-R3689 IonicContact OE1-CZ 3.66Å; E3686-R3689 VanDerWaalsContact OE1-CZ 3.28Å; E3686-R3689 IonicContact OE1-NE 3.32Å; E3686-R3689 PolarHBondContact OE1-NE 2.95Å; E3686-R3689 IonicContact OE1-NH2 3.79Å; E3686-R3689 PolarHBondContact OE1-NH2 3.08Å; E3686-R3689 IonicContact OE2-CZ 2.72Å; E3686-R3689 IonicContact OE2-NE 3.79Å; E3686-R3689 PolarHBondContact OE2-NE 3.4Å; E3686-R3689 IonicContact OE2-NH2 2.68Å; E3686-Q3690 WeakPolarHBondContact O-CG 3.44Å; E3686-Q3690 PolarHBondContact O-N 3.5Å; E3686-Q3690 PolarHBondContact OE1-NE2 2.75Å |
| 3687 | G | 92.3 | Very high | 87.7 | Confident | 35 Ų | 35 | 34 Ų | 34 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T3683 T3684 R3689 Q3690 L3691 | T3683-G3687 PolarHBondContact O-N 3.17Å; T3684-G3687 PolarHBondContact O-N 2.71Å; G3687-R3689 VanDerWaalsContact C-N 3.32Å; G3687-R3689 PolarHBondContact O-N 2.64Å; G3687-Q3690 PolarHBondContact O-N 3.38Å; G3687-L3691 PolarHBondContact O-N 2.82Å; G3687-L3691 VanDerWaalsContact O-N 3.12Å |
| 3688 | L | 93.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -28.6 | 174.5 | -68.4 | 175.6 | 0 | 0 | 0 | 112.4 | W3674 F3677 T3684 F3685 L3691 L3692 V3758 Y3761 T3762 | W3674-L3688 HydrophobicContact CH2-CB 3.76Å; W3674-L3688 HydrophobicContact CZ3-CB 4.33Å; W3674-L3688 HydrophobicContact CZ3-CD1 4.36Å; F3677-L3688 HydrophobicContact CE1-CD1 3.93Å; T3684-L3688 HydrophobicContact CG2-CD1 3.89Å; T3684-L3688 HydrophobicContact CG2-CG 4.1Å; T3684-L3688 WeakPolarHBondContact O-CB 3.39Å; T3684-L3688 VanDerWaalsContact O-CG 3.25Å; T3684-L3688 WeakPolarHBondContact O-CG 3.43Å; T3684-L3688 PolarHBondContact O-N 3.13Å; F3685-L3688 PolarHBondContact O-N 2.98Å; L3688-L3691 HydrophobicContact CD2-CD2 4.23Å; L3688-L3691 PolarHBondContact O-N 2.88Å; L3688-L3692 WeakPolarHBondContact O-CG 3.09Å; L3688-L3692 PolarHBondContact O-N 3.34Å; L3688-V3758 HydrophobicContact CD1-CG1 4.45Å; L3688-V3758 HydrophobicContact CD2-CG2 4.29Å; L3688-Y3761 HydrophobicContact CD1-CD1 3.86Å; L3688-Y3761 HydrophobicContact CD1-CE1 3.93Å; L3688-T3762 HydrophobicContact CD1-CG2 4.12Å |
| 3689 | R | 92.5 | Very high | 83.3 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 171.6 | -167.7 | -174.3 | 74.5 | 93.7 | -3.3 | 111.3 | L2899 L2900 D2901 A2902 W3674 F3685 E3686 G3687 L3692 L3693 | L2899-R3689 WeakPolarHBondContact O-CD 3.42Å; L2900-R3689 WeakPolarHBondContact O-CD 3.49Å; L2900-R3689 WeakPolarHBondContact O-CG 3.45Å; L2900-R3689 PolarHBondContact O-NH1 2.85Å; D2901-R3689 VanDerWaalsContact C-NH1 3.32Å; D2901-R3689 PolarHBondContact O-NH1 3.35Å; A2902-R3689 PolarHBondContact O-NH1 3.5Å; W3674-R3689 HydrophobicContact CZ2-CB 4.42Å; F3685-R3689 WeakPolarHBondContact O-CB 3.3Å; F3685-R3689 PolarHBondContact O-N 3.36Å; E3686-R3689 VanDerWaalsContact CD-NE 3.33Å; E3686-R3689 WeakPolarHBondContact O-CB 3.42Å; E3686-R3689 PolarHBondContact O-N 2.83Å; E3686-R3689 IonicContact OE1-CZ 3.66Å; E3686-R3689 VanDerWaalsContact OE1-CZ 3.28Å; E3686-R3689 IonicContact OE1-NE 3.32Å; E3686-R3689 PolarHBondContact OE1-NE 2.95Å; E3686-R3689 IonicContact OE1-NH2 3.79Å; E3686-R3689 PolarHBondContact OE1-NH2 3.08Å; E3686-R3689 IonicContact OE2-CZ 2.72Å; E3686-R3689 IonicContact OE2-NE 3.79Å; E3686-R3689 PolarHBondContact OE2-NE 3.4Å; E3686-R3689 IonicContact OE2-NH2 2.68Å; G3687-R3689 VanDerWaalsContact C-N 3.32Å; G3687-R3689 PolarHBondContact O-N 2.64Å; R3689-L3692 PolarHBondContact O-N 3.12Å; R3689-L3693 PolarHBondContact O-N 3.45Å |
| 3690 | Q | 89.6 | Confident | 81.2 | Confident | 80 Ų | 80 | 53.4 Ų | 53.4 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.9 | -60.3 | -59.6 | -28.9 | 0 | 0 | 111.3 | E3686 G3687 L3692 L3693 H3694 | E3686-Q3690 WeakPolarHBondContact O-CG 3.44Å; E3686-Q3690 PolarHBondContact O-N 3.5Å; E3686-Q3690 PolarHBondContact OE1-NE2 2.75Å; G3687-Q3690 PolarHBondContact O-N 3.38Å; Q3690-L3692 VanDerWaalsContact C-N 3.29Å; Q3690-L3692 PolarHBondContact O-N 2.91Å; Q3690-L3693 WeakPolarHBondContact O-CB 3.38Å; Q3690-L3693 PolarHBondContact O-N 2.96Å; Q3690-H3694 PolarHBondContact O-CD2 2.83Å; Q3690-H3694 PolarHBondContact O-N 3.43Å |
| 3691 | L | 89.6 | Confident | 79.1 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 175.2 | -177.1 | 65.7 | 0 | 0 | 0 | 112.5 | G3687 L3688 I3706 Y3709 L3711 V3754 F3757 | G3687-L3691 PolarHBondContact O-N 2.82Å; G3687-L3691 VanDerWaalsContact O-N 3.12Å; L3688-L3691 HydrophobicContact CD2-CD2 4.23Å; L3688-L3691 PolarHBondContact O-N 2.88Å; L3691-I3706 HydrophobicContact CD1-CD1 4.48Å; L3691-I3706 HydrophobicContact CD1-CG1 4.25Å; L3691-I3706 HydrophobicContact CD1-CG2 4.2Å; L3691-Y3709 HydrophobicContact CD1-CD2 3.77Å; L3691-Y3709 HydrophobicContact CD1-CE2 3.86Å; L3691-L3711 HydrophobicContact CD2-CD1 4.11Å; L3691-V3754 HydrophobicContact CD2-CG2 3.97Å; L3691-V3754 HydrophobicContact CG-CG2 3.96Å; L3691-F3757 HydrophobicContact CD2-CE1 4.49Å |
| 3692 | L | 89.4 | Confident | 76.6 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.5 | -31.2 | 175.1 | -69.6 | 178.4 | 0 | 0 | 0 | 113.2 | F2883 L2900 L3688 R3689 Q3690 H3694 T3695 V3754 F3755 V3758 | F2883-L3692 HydrophobicContact CE1-CD1 3.88Å; F2883-L3692 HydrophobicContact CZ-CD1 4.49Å; L2900-L3692 HydrophobicContact CD2-CB 4.14Å; L2900-L3692 HydrophobicContact CD2-CD1 3.59Å; L3688-L3692 WeakPolarHBondContact O-CG 3.09Å; L3688-L3692 PolarHBondContact O-N 3.34Å; R3689-L3692 PolarHBondContact O-N 3.12Å; Q3690-L3692 VanDerWaalsContact C-N 3.29Å; Q3690-L3692 PolarHBondContact O-N 2.91Å; L3692-H3694 VanDerWaalsContact C-N 3.31Å; L3692-H3694 PolarHBondContact O-N 2.96Å; L3692-T3695 WeakPolarHBondContact O-CB 3.24Å; L3692-T3695 PolarHBondContact O-N 3.31Å; L3692-T3695 PolarHBondContact O-OG1 2.79Å; L3692-V3754 HydrophobicContact CD2-CG1 4.33Å; L3692-V3754 HydrophobicContact CD2-CG2 4.19Å; L3692-F3755 HydrophobicContact CD1-CD1 4.42Å; L3692-F3755 HydrophobicContact CD1-CE1 4.25Å; L3692-F3755 HydrophobicContact CD2-CD1 3.79Å; L3692-F3755 HydrophobicContact CD2-CD2 4.32Å; L3692-F3755 HydrophobicContact CD2-CE1 3.82Å; L3692-F3755 HydrophobicContact CD2-CE2 4.35Å; L3692-F3755 HydrophobicContact CD2-CG 4.04Å; L3692-F3755 HydrophobicContact CD2-CZ 4.1Å; L3692-F3755 HydrophobicContact CG-CE1 4.45Å; L3692-V3758 HydrophobicContact CD1-CB 4.42Å; L3692-V3758 HydrophobicContact CD1-CG1 4.15Å; L3692-V3758 HydrophobicContact CD1-CG2 4.27Å; L3692-V3758 HydrophobicContact CD2-CB 4.48Å; L3692-V3758 HydrophobicContact CD2-CG2 3.9Å; L3692-V3758 HydrophobicContact CG-CG2 4.05Å |
| 3693 | L | 84.8 | Confident | 74.5 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 176.4 | -81 | 176.1 | 0 | 0 | 0 | 113.1 | L2900 R3689 Q3690 T3695 S3696 | L2900-L3693 WeakPolarHBondContact O-CD2 3.05Å; R3689-L3693 PolarHBondContact O-N 3.45Å; Q3690-L3693 WeakPolarHBondContact O-CB 3.38Å; Q3690-L3693 PolarHBondContact O-N 2.96Å; L3693-T3695 PolarHBondContact O-N 3.06Å; L3693-T3695 VanDerWaalsContact O-N 3.13Å; L3693-S3696 WeakPolarHBondContact O-CB 3.43Å; L3693-S3696 PolarHBondContact O-N 3.47Å; L3693-S3696 VanDerWaalsContact O-N 3.16Å |
| 3694 | H | 75.8 | Confident | 72.9 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 35% | 0.352 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15 | 175.6 | -77.7 | -132.8 | 0 | 0 | 0 | 113.2 | Q3690 L3692 Q3703 G3704 I3706 | Q3690-H3694 PolarHBondContact O-CD2 2.83Å; Q3690-H3694 PolarHBondContact O-N 3.43Å; L3692-H3694 VanDerWaalsContact C-N 3.31Å; L3692-H3694 PolarHBondContact O-N 2.96Å; H3694-Q3703 PolarHBondContact CE1-O 2.95Å; H3694-G3704 PolarHBondContact ND1-O 2.89Å; H3694-I3706 HydrophobicContact CB-CD1 4.41Å; H3694-I3706 HydrophobicContact CB-CG1 4.28Å |
| 3695 | T | 74 | Confident | 71.8 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.1 | 176.6 | 71.4 | 0 | 0 | 0 | 0 | 114.8 | L3692 L3693 I3706 V3754 F3755 | L3692-T3695 WeakPolarHBondContact O-CB 3.24Å; L3692-T3695 PolarHBondContact O-N 3.31Å; L3692-T3695 PolarHBondContact O-OG1 2.79Å; L3693-T3695 PolarHBondContact O-N 3.06Å; L3693-T3695 VanDerWaalsContact O-N 3.13Å; T3695-I3706 HydrophobicContact CG2-CD1 3.53Å; T3695-V3754 HydrophobicContact CG2-CG1 3.33Å; T3695-F3755 HydrophobicContact CG2-CE2 4.25Å; T3695-F3755 WeakPolarHBondContact OG1-CE2 3.44Å |
| 3696 | S | 64.7 | Low | 71.1 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -79.5 | 139.2 | -168.9 | -161.3 | 0 | 0 | 0 | 0 | 110.9 | L3693 D3698 | L3693-S3696 WeakPolarHBondContact O-CB 3.43Å; L3693-S3696 PolarHBondContact O-N 3.47Å; L3693-S3696 VanDerWaalsContact O-N 3.16Å; S3696-D3698 PolarHBondContact O-N 3.09Å |
| 3697 | E | 54.5 | Low | 70.4 | Confident | 150 Ų | 150 | 76.5 Ų | 76.5 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | trans | -65.5 | 19.4 | -167 | -56 | 174.8 | 119.7 | 0 | 0 | 116.2 | R2857 F3699 | R2857-E3697 IonicContact NH2-OE2 3.61Å; E3697-F3699 WeakPolarHBondContact O-CD2 3.37Å; E3697-F3699 PolarHBondContact O-N 2.91Å | ||
| 3698 | D | 52.1 | Low | 69.9 | Low | 115 Ų | 115 | 80 Ų | 80 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | trans | -77.9 | 86.9 | 175.5 | -81 | -24.9 | 0 | 0 | 0 | 110.9 | S3696 S3700 K3701 | S3696-D3698 PolarHBondContact O-N 3.09Å; D3698-S3700 PolarHBondContact O-N 3.37Å; D3698-K3701 PolarHBondContact O-N 2.92Å | ||
| 3699 | F | 45.3 | Very low | 69.4 | Low | 215 Ų | 215 | 82.8 Ų | 82.8 | 94% | 0.943 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 7.7 | 175.8 | -72.9 | -89.5 | 0 | 0 | 0 | 117.2 | E3697 | E3697-F3699 WeakPolarHBondContact O-CD2 3.37Å; E3697-F3699 PolarHBondContact O-N 2.91Å |
| 3700 | S | 51.8 | Low | 69.1 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 69% | 0.692 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -5.3 | -175 | 64.7 | 0 | 0 | 0 | 0 | 115.4 | D3698 | D3698-S3700 PolarHBondContact O-N 3.37Š|
| 3701 | K | 50 | Low | 69.2 | Low | 178 Ų | 178 | 85.8 Ų | 85.8 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | trans | -128.1 | 64.6 | -173.9 | -71.6 | -178.7 | 179.8 | 169.7 | 0 | 114.3 | D3698 Q3703 | D3698-K3701 PolarHBondContact O-N 2.92Å; K3701-Q3703 PolarHBondContact O-N 3.01Å; K3701-Q3703 VanDerWaalsContact O-N 3.08Å | ||
| 3702 | S | 42 | Very low | 69.3 | Low | 125 Ų | 125 | 87.1 Ų | 87.1 | 87% | 0.874 | 46% | 0.463 | S | S | * | . | trans | -74.6 | 90.5 | 169.6 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3703 | Q | 50.3 | Low | 69.5 | Low | 177 Ų | 177 | 87.2 Ų | 87.2 | 83% | 0.827 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -150.3 | 88 | 167.7 | -125.3 | 172.1 | 12.4 | 0 | 0 | 112.4 | H3694 K3701 | H3694-Q3703 PolarHBondContact CE1-O 2.95Å; K3701-Q3703 PolarHBondContact O-N 3.01Å; K3701-Q3703 VanDerWaalsContact O-N 3.08Å |
| 3704 | G | 58.2 | Low | 69.8 | Low | 39 Ų | 39 | 85.7 Ų | 85.7 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | trans | 99.6 | 108.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H3694 | H3694-G3704 PolarHBondContact ND1-O 2.89Š| ||
| 3705 | S | 71.4 | Confident | 70.5 | Confident | 40 Ų | 40 | 82.8 Ų | 82.8 | 28% | 0.28 | 44% | 0.443 | S | S | . | . | trans | -71.5 | 150.7 | 166.5 | 179 | 0 | 0 | 0 | 0 | 109.3 | E3707 D3708 | S3705-E3707 PolarHBondContact O-N 3.14Å; S3705-E3707 PolarHBondContact OG-N 2.74Å; S3705-D3708 PolarHBondContact N-OD2 3.03Å; S3705-D3708 WeakPolarHBondContact O-CB 3.49Å; S3705-D3708 PolarHBondContact O-N 3.04Å; S3705-D3708 VanDerWaalsContact O-N 3.17Å | ||
| 3706 | I | 78.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.005 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -63.8 | -30.1 | 173.9 | -65.9 | -177.5 | 0 | 0 | 0 | 110.8 | L3691 H3694 T3695 D3708 Y3709 V3749 E3751 V3754 | L3691-I3706 HydrophobicContact CD1-CD1 4.48Å; L3691-I3706 HydrophobicContact CD1-CG1 4.25Å; L3691-I3706 HydrophobicContact CD1-CG2 4.2Å; H3694-I3706 HydrophobicContact CB-CD1 4.41Å; H3694-I3706 HydrophobicContact CB-CG1 4.28Å; T3695-I3706 HydrophobicContact CG2-CD1 3.53Å; I3706-D3708 VanDerWaalsContact C-N 3.27Å; I3706-D3708 PolarHBondContact O-N 2.71Å; I3706-Y3709 WeakPolarHBondContact O-CB 3.42Å; I3706-Y3709 PolarHBondContact O-N 3.47Å; I3706-V3749 HydrophobicContact CG2-CG1 4.36Å; I3706-E3751 HydrophobicContact CD1-CG 4.18Å; I3706-V3754 HydrophobicContact CD1-CG1 4.14Å |
| 3707 | E | 78.9 | Confident | 72.2 | Confident | 116 Ų | 116 | 84.2 Ų | 84.2 | 54% | 0.542 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -65.2 | -28.8 | 177.3 | -58.8 | 176.9 | 159.7 | 0 | 0 | 112.1 | S3705 Y3709 N3710 N3750 | S3705-E3707 PolarHBondContact O-N 3.14Å; S3705-E3707 PolarHBondContact OG-N 2.74Å; E3707-Y3709 PolarHBondContact O-N 2.95Å; E3707-Y3709 VanDerWaalsContact O-N 3.14Å; E3707-N3710 PolarHBondContact O-N 2.96Å; E3707-N3710 PolarHBondContact O-ND2 3.48Å; E3707-N3750 PolarHBondContact OE1-ND2 3.03Å |
| 3708 | D | 82.1 | Confident | 73.8 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -60.2 | -26.1 | 175.8 | -64.8 | -40.9 | 0 | 0 | 0 | 111.9 | S3705 I3706 N3710 | S3705-D3708 PolarHBondContact N-OD2 3.03Å; S3705-D3708 WeakPolarHBondContact O-CB 3.49Å; S3705-D3708 PolarHBondContact O-N 3.04Å; S3705-D3708 VanDerWaalsContact O-N 3.17Å; I3706-D3708 VanDerWaalsContact C-N 3.27Å; I3706-D3708 PolarHBondContact O-N 2.71Å; D3708-N3710 VanDerWaalsContact C-N 3.31Å; D3708-N3710 PolarHBondContact O-N 3Å; D3708-N3710 PolarHBondContact O-ND2 3.4Å |
| 3709 | Y | 81.4 | Confident | 75.3 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 24% | 0.243 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -78 | -11.3 | 179.3 | -59 | -52.9 | 0 | 0 | 0 | 114.3 | L3557 L3691 I3706 E3707 L3711 | L3557-Y3709 HydrophobicContact CD1-CD1 3.88Å; L3557-Y3709 HydrophobicContact CD1-CE1 4.24Å; L3557-Y3709 HydrophobicContact CD1-CG 4.48Å; L3557-Y3709 HydrophobicContact CD2-CD1 4.32Å; L3557-Y3709 HydrophobicContact CD2-CE1 3.85Å; L3691-Y3709 HydrophobicContact CD1-CD2 3.77Å; L3691-Y3709 HydrophobicContact CD1-CE2 3.86Å; I3706-Y3709 WeakPolarHBondContact O-CB 3.42Å; I3706-Y3709 PolarHBondContact O-N 3.47Å; E3707-Y3709 PolarHBondContact O-N 2.95Å; E3707-Y3709 VanDerWaalsContact O-N 3.14Å; Y3709-L3711 VanDerWaalsContact C-N 3.26Å; Y3709-L3711 PolarHBondContact O-N 3.32Å |
| 3710 | N | 86.9 | Confident | 77.4 | Confident | 138 Ų | 138 | 67 Ų | 67 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | trans | 49.7 | 45.3 | 177.7 | -67.6 | -106.4 | 0 | 0 | 0 | 112.7 | E3707 D3708 | E3707-N3710 PolarHBondContact O-N 2.96Å; E3707-N3710 PolarHBondContact O-ND2 3.48Å; D3708-N3710 VanDerWaalsContact C-N 3.31Å; D3708-N3710 PolarHBondContact O-N 3Å; D3708-N3710 PolarHBondContact O-ND2 3.4Å | ||
| 3711 | L | 90.8 | Very high | 79.1 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | trans | -88.6 | 146.2 | 179.1 | -61.9 | 177.8 | 0 | 0 | 0 | 110.7 | L3554 L3691 Y3709 E3748 V3749 F3757 | L3554-L3711 HydrophobicContact CD1-CD2 3.83Å; L3554-L3711 HydrophobicContact CG-CD2 3.99Å; L3691-L3711 HydrophobicContact CD2-CD1 4.11Å; Y3709-L3711 VanDerWaalsContact C-N 3.26Å; Y3709-L3711 PolarHBondContact O-N 3.32Å; L3711-E3748 CarbonylContact O-C 3.58Å; L3711-E3748 WeakPolarHBondContact O-CA 3.48Å; L3711-V3749 HydrophobicContact CB-CB 3.91Å; L3711-V3749 HydrophobicContact CB-CG2 3.89Å; L3711-V3749 PolarHBondContact O-N 3.19Å; L3711-F3757 HydrophobicContact CD1-CE1 4.39Å | ||
| 3712 | T | 92.2 | Very high | 80.6 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -124.1 | 169.6 | 175 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | S3714 V3747 F3757 | T3712-S3714 PolarHBondContact O-N 3.39Å; T3712-S3714 PolarHBondContact OG1-OG 2.92Å; T3712-V3747 CarbonylContact C-O 3.55Å; T3712-V3747 VanDerWaalsContact CA-O 3.23Å; T3712-V3747 WeakPolarHBondContact CA-O 3.47Å; T3712-F3757 VanDerWaalsContact O-CE2 3.23Å; T3712-F3757 WeakPolarHBondContact O-CE2 3.19Å |
| 3713 | F | 93.2 | Very high | 82.6 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -75.6 | 37.1 | 171.9 | -84.6 | -104.1 | 0 | 0 | 0 | 113.1 | L3740 V3741 G3744 V3747 V3749 N3753 E3756 F3757 | F3713-L3740 WeakPolarHBondContact O-CB 3.44Å; F3713-L3740 PolarHBondContact O-N 2.84Å; F3713-V3741 HydrophobicContact CB-CB 4.41Å; F3713-V3741 HydrophobicContact CD1-CB 4.26Å; F3713-V3741 HydrophobicContact CD1-CG2 3.62Å; F3713-V3741 HydrophobicContact CE1-CG2 4.19Å; F3713-V3741 HydrophobicContact CG-CG2 4.46Å; F3713-G3744 CarbonylContact C-O 3.59Å; F3713-G3744 WeakPolarHBondContact CA-O 3.37Å; F3713-G3744 PolarHBondContact N-O 3.12Å; F3713-V3747 HydrophobicContact CB-CB 4.23Å; F3713-V3747 HydrophobicContact CB-CG1 4.48Å; F3713-V3747 HydrophobicContact CD2-CB 4.21Å; F3713-V3747 HydrophobicContact CD2-CG1 3.64Å; F3713-V3747 HydrophobicContact CE2-CG1 4.15Å; F3713-V3747 HydrophobicContact CG-CG1 4.22Å; F3713-V3747 PolarHBondContact N-O 3.33Å; F3713-V3749 HydrophobicContact CD2-CG2 3.87Å; F3713-V3749 HydrophobicContact CE2-CG2 3.88Å; F3713-N3753 HydrophobicContact CE2-CB 4.2Å; F3713-N3753 HydrophobicContact CZ-CB 4.11Å; F3713-E3756 HydrophobicContact CE1-CB 4.32Å; F3713-E3756 HydrophobicContact CE1-CG 4.18Å; F3713-E3756 HydrophobicContact CZ-CB 4.34Å; F3713-F3757 HydrophobicContact CE1-CB 3.92Å; F3713-F3757 HydrophobicContact CE2-CB 4.07Å; F3713-F3757 HydrophobicContact CG-CD2 4.5Å; F3713-F3757 HydrophobicContact CZ-CB 3.65Å |
| 3714 | S | 90.8 | Very high | 83.9 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.2 | 170.8 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | T3712 Y3738 D3745 | T3712-S3714 PolarHBondContact O-N 3.39Å; T3712-S3714 PolarHBondContact OG1-OG 2.92Å; S3714-Y3738 CarbonylContact C-O 3.23Å; S3714-Y3738 VanDerWaalsContact CA-O 3.26Å; S3714-Y3738 WeakPolarHBondContact CA-O 3.4Å; S3714-Y3738 WeakPolarHBondContact CB-O 3.3Å; S3714-D3745 WeakPolarHBondContact CB-OD1 3.31Å; S3714-D3745 PolarHBondContact OG-OD1 3.28Å |
| 3715 | L | 90.5 | Very high | 84.2 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 153.5 | -178.6 | 64.4 | 81.4 | 0 | 0 | 0 | 111 | P3717 Y3738 L3740 Y3761 F3764 | L3715-P3717 HydrophobicContact CD1-CB 4.24Å; L3715-P3717 HydrophobicContact CD1-CG 3.85Å; L3715-P3717 WeakPolarHBondContact O-CD 3.37Å; L3715-Y3738 PolarHBondContact N-O 2.96Å; L3715-Y3738 PolarHBondContact O-N 2.8Å; L3715-L3740 HydrophobicContact CD2-CD1 4.25Å; L3715-L3740 HydrophobicContact CD2-CD2 3.79Å; L3715-L3740 HydrophobicContact CD2-CG 4.19Å; L3715-L3740 HydrophobicContact CG-CD2 4.44Å; L3715-Y3761 HydrophobicContact CD2-CD2 3.61Å; L3715-Y3761 HydrophobicContact CD2-CE2 3.92Å; L3715-Y3761 HydrophobicContact CD2-CG 4.41Å; L3715-F3764 HydrophobicContact CD1-CD1 4.03Å; L3715-F3764 HydrophobicContact CD1-CE1 3.71Å; L3715-F3764 HydrophobicContact CD1-CZ 4.31Å; L3715-F3764 HydrophobicContact CD2-CD1 3.9Å; L3715-F3764 HydrophobicContact CD2-CE1 4.42Å; L3715-F3764 HydrophobicContact CD2-CG 4.46Å |
| 3716 | I | 88.3 | Confident | 83.5 | Confident | 102 Ų | 102 | 44 Ų | 44 | 52% | 0.523 | 24% | 0.238 | S | C | . | . | trans | -90.6 | 113.9 | 168 | -57.9 | 174.8 | 0 | 0 | 0 | 106.3 | P3552 L3737 | P3552-I3716 HydrophobicContact CB-CD1 4.43Å; I3716-L3737 HydrophobicContact CG1-CD1 3.83Å | ||
| 3717 | P | 86.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.045 | 27% | 0.267 | C | S | . | . | trans | -67.2 | 145.9 | 179.7 | -17.3 | 30.8 | 0 | 0 | 0 | 111 | L3620 L3715 E3721 G3723 F3764 | L3620-P3717 HydrophobicContact CD2-CG 4.42Å; L3715-P3717 HydrophobicContact CD1-CB 4.24Å; L3715-P3717 HydrophobicContact CD1-CG 3.85Å; L3715-P3717 WeakPolarHBondContact O-CD 3.37Å; P3717-E3721 HydrophobicContact CB-CB 4.26Å; P3717-G3723 WeakPolarHBondContact O-CA 3.49Å; P3717-F3764 HydrophobicContact CB-CE1 4.25Å; P3717-F3764 HydrophobicContact CB-CZ 4.14Å; P3717-F3764 HydrophobicContact CG-CE1 4.44Å; P3717-F3764 HydrophobicContact CG-CZ 4.07Å | ||
| 3718 | A | 87.4 | Confident | 81 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | trans | -64.1 | 159.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E3720 E3721 G3722 G3723 | A3718-E3720 PolarHBondContact O-N 2.85Å; A3718-E3720 VanDerWaalsContact O-N 3.13Å; A3718-E3721 HydrophobicContact CB-CB 4.24Å; A3718-E3721 HydrophobicContact CB-CG 4.03Å; A3718-E3721 PolarHBondContact N-OE2 3.18Å; A3718-E3721 CarbonylContact O-C 3.54Å; A3718-E3721 WeakPolarHBondContact O-CA 3.35Å; A3718-E3721 PolarHBondContact O-N 3.14Å; A3718-G3722 PolarHBondContact O-N 2.97Å; A3718-G3722 VanDerWaalsContact O-N 3.1Å; A3718-G3723 PolarHBondContact O-N 3.42Å | ||
| 3719 | L | 85.6 | Confident | 79.5 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.1 | 178.4 | -173.3 | 64.9 | 0 | 0 | 0 | 112.8 | I3586 I3590 R3613 P3616 | I3586-L3719 HydrophobicContact CG2-CD2 4.49Å; I3590-L3719 HydrophobicContact CD1-CD1 3.77Å; I3590-L3719 HydrophobicContact CD1-CD2 3.73Å; I3590-L3719 HydrophobicContact CD1-CG 4.17Å; R3613-L3719 VanDerWaalsContact NH2-C 3.31Å; R3613-L3719 PolarHBondContact NH2-O 2.96Å; P3616-L3719 HydrophobicContact CB-CD1 4.07Å; P3616-L3719 HydrophobicContact CG-CD1 3.88Å; P3616-L3719 HydrophobicContact CG-CG 4.49Å |
| 3720 | E | 88.2 | Confident | 78 | Confident | 42 Ų | 42 | 45 Ų | 45 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -26.3 | 174.2 | -68.2 | 55.8 | -132 | 0 | 0 | 112.3 | W3602 R3613 A3614 A3718 | W3602-E3720 HydrophobicContact CB-CG 4.25Å; W3602-E3720 HydrophobicContact CD2-CB 3.5Å; W3602-E3720 HydrophobicContact CD2-CG 3.63Å; W3602-E3720 VanDerWaalsContact CE2-CB 3.49Å; W3602-E3720 HydrophobicContact CE3-CB 3.78Å; W3602-E3720 HydrophobicContact CE3-CG 3.59Å; W3602-E3720 HydrophobicContact CG-CB 3.96Å; W3602-E3720 HydrophobicContact CG-CG 3.95Å; W3602-E3720 HydrophobicContact CH2-CB 3.95Å; W3602-E3720 HydrophobicContact CZ2-CB 3.73Å; W3602-E3720 HydrophobicContact CZ3-CB 3.98Å; W3602-E3720 HydrophobicContact CZ3-CG 4.04Å; R3613-E3720 HydrophobicContact CG-CB 4.26Å; R3613-E3720 WeakPolarHBondContact CG-O 3.17Å; R3613-E3720 IonicContact CZ-OE1 3.94Å; R3613-E3720 IonicContact NH1-OE1 3.6Å; R3613-E3720 PolarHBondContact NH1-OE1 2.89Å; R3613-E3720 VanDerWaalsContact NH2-CD 3.33Å; R3613-E3720 IonicContact NH2-OE1 3.43Å; R3613-E3720 PolarHBondContact NH2-OE1 3.07Å; A3614-E3720 PolarHBondContact N-O 3.38Å; A3718-E3720 PolarHBondContact O-N 2.85Å; A3718-E3720 VanDerWaalsContact O-N 3.13Å |
| 3721 | E | 87.8 | Confident | 76.4 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 5.6 | -179.6 | -61.4 | 173 | 163.7 | 0 | 0 | 112.2 | W3602 N3619 Y3680 P3717 A3718 K3765 | W3602-E3721 HydrophobicContact CH2-CG 4.29Å; W3602-E3721 HydrophobicContact CZ2-CG 3.88Å; N3619-E3721 PolarHBondContact ND2-O 3.16Å; Y3680-E3721 PolarHBondContact OH-OE1 2.83Å; P3717-E3721 HydrophobicContact CB-CB 4.26Å; A3718-E3721 HydrophobicContact CB-CB 4.24Å; A3718-E3721 HydrophobicContact CB-CG 4.03Å; A3718-E3721 PolarHBondContact N-OE2 3.18Å; A3718-E3721 CarbonylContact O-C 3.54Å; A3718-E3721 WeakPolarHBondContact O-CA 3.35Å; A3718-E3721 PolarHBondContact O-N 3.14Å; E3721-K3765 WeakPolarHBondContact OE1-CD 3.44Å; E3721-K3765 WeakPolarHBondContact OE1-CE 3.42Å; E3721-K3765 IonicContact OE1-NZ 2.82Å; E3721-K3765 PolarHBondContact OE1-NZ 3.49Å; E3721-K3765 WeakPolarHBondContact OE2-CE 3.22Å; E3721-K3765 IonicContact OE2-NZ 3.73Å; E3721-K3765 PolarHBondContact OE2-NZ 3.12Å |
| 3722 | G | 82.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 12.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G3617 A3718 | G3617-G3722 WeakPolarHBondContact CA-O 3.44Å; G3617-G3722 PolarHBondContact N-O 3.1Å; A3718-G3722 PolarHBondContact O-N 2.97Å; A3718-G3722 VanDerWaalsContact O-N 3.1Å |
| 3723 | G | 83.9 | Confident | 73.1 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -67.4 | -176.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P3616 G3617 P3717 A3718 | P3616-G3723 VanDerWaalsContact CA-O 3.3Å; P3616-G3723 WeakPolarHBondContact CA-O 3.48Å; P3616-G3723 WeakPolarHBondContact CB-O 3.29Å; G3617-G3723 PolarHBondContact N-O 2.81Å; P3717-G3723 WeakPolarHBondContact O-CA 3.49Å; A3718-G3723 PolarHBondContact O-N 3.42Å | ||
| 3724 | L | 76.2 | Confident | 71.5 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | trans | -120.9 | 164.7 | -179.3 | -67.2 | 171.1 | 0 | 0 | 0 | 111.5 | P3616 L3620 Q3624 Y3736 | P3616-L3724 HydrophobicContact CB-CD2 4.39Å; L3620-L3724 HydrophobicContact CD1-CD1 3.79Å; L3620-L3724 HydrophobicContact CD1-CG 3.82Å; Q3624-L3724 VanDerWaalsContact CD-CD2 3.49Å; Q3624-L3724 HydrophobicContact CG-CD1 4.39Å; Q3624-L3724 HydrophobicContact CG-CD2 4.36Å; L3724-Y3736 HydrophobicContact CB-CD1 3.87Å; L3724-Y3736 HydrophobicContact CB-CE1 3.78Å; L3724-Y3736 HydrophobicContact CD1-CD1 3.97Å; L3724-Y3736 HydrophobicContact CD1-CE1 3.58Å; L3724-Y3736 HydrophobicContact CG-CD1 4.47Å; L3724-Y3736 HydrophobicContact CG-CE1 4.31Å | ||
| 3725 | S | 65.9 | Low | 70.4 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | trans | -64.2 | 142.3 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | T3727 D3728 | S3725-T3727 WeakPolarHBondContact CB-OG1 3.32Å; S3725-T3727 PolarHBondContact O-N 3.17Å; S3725-T3727 PolarHBondContact OG-N 2.64Å; S3725-T3727 PolarHBondContact OG-OG1 3.31Å; S3725-D3728 PolarHBondContact O-N 3.31Å | ||
| 3726 | T | 56.1 | Low | 69.6 | Low | 115 Ų | 115 | 60.9 Ų | 60.9 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -15.8 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 3727 | T | 54.6 | Low | 69.2 | Low | 98 Ų | 98 | 58 Ų | 58 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.4 | -33.9 | 171.9 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | S3725 | S3725-T3727 WeakPolarHBondContact CB-OG1 3.32Å; S3725-T3727 PolarHBondContact O-N 3.17Å; S3725-T3727 PolarHBondContact OG-N 2.64Å; S3725-T3727 PolarHBondContact OG-OG1 3.31Å |
| 3728 | D | 50.8 | Low | 69.2 | Low | 46 Ų | 46 | 60.1 Ų | 60.1 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -88.1 | -30.1 | 179.8 | -66.1 | -49.5 | 0 | 0 | 0 | 112.1 | S3725 V3730 R3731 Y3736 | S3725-D3728 PolarHBondContact O-N 3.31Å; D3728-V3730 PolarHBondContact O-N 3.3Å; D3728-R3731 PolarHBondContact O-N 3.21Å; D3728-Y3736 VanDerWaalsContact C-CZ 3.49Å; D3728-Y3736 VanDerWaalsContact C-OH 3.24Å; D3728-Y3736 HydrophobicContact CB-CE1 3.99Å; D3728-Y3736 WeakPolarHBondContact CB-OH 3.43Å; D3728-Y3736 PolarHBondContact O-OH 3.13Å |
| 3729 | A | 50.9 | Low | 69.3 | Low | 37 Ų | 37 | 60.5 Ų | 60.5 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -48 | -32.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | R3731 Y3736 | A3729-R3731 PolarHBondContact O-N 3.06Å; A3729-R3731 VanDerWaalsContact O-N 3.17Å; A3729-Y3736 HydrophobicContact CB-CD1 4.38Å; A3729-Y3736 HydrophobicContact CB-CD2 4.4Å; A3729-Y3736 HydrophobicContact CB-CG 4.34Å |
| 3730 | V | 49.9 | Very low | 69.5 | Low | 129 Ų | 129 | 59.4 Ų | 59.4 | 78% | 0.782 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.1 | 178.9 | -173.3 | 0 | 0 | 0 | 0 | 113.3 | D3728 | D3728-V3730 PolarHBondContact O-N 3.3Š|
| 3731 | R | 53.6 | Low | 69.6 | Low | 203 Ų | 203 | 59.3 Ų | 59.3 | 77% | 0.766 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -85.5 | -41.3 | -174.2 | -71.9 | -173.3 | 173.8 | -177.6 | 2.2 | 115.4 | D3728 A3729 | D3728-R3731 PolarHBondContact O-N 3.21Å; A3729-R3731 PolarHBondContact O-N 3.06Å; A3729-R3731 VanDerWaalsContact O-N 3.17Å |
| 3732 | Q | 54.8 | Low | 69.5 | Low | 78 Ų | 78 | 65.1 Ų | 65.1 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | trans | -154.9 | 90 | -176.3 | -63 | -162 | 132.5 | 0 | 0 | 110.5 | N3734 D3735 Y3736 | Q3732-N3734 VanDerWaalsContact C-N 3.32Å; Q3732-N3734 PolarHBondContact O-N 3.08Å; Q3732-N3734 VanDerWaalsContact O-N 3.11Å; Q3732-D3735 HydrophobicContact CB-CB 4.29Å; Q3732-D3735 WeakPolarHBondContact CB-OD2 3.14Å; Q3732-D3735 PolarHBondContact NE2-OD2 3.44Å; Q3732-D3735 WeakPolarHBondContact O-CB 3.45Å; Q3732-D3735 PolarHBondContact O-N 3.38Å; Q3732-Y3736 WeakPolarHBondContact O-CD2 3.28Å; Q3732-Y3736 WeakPolarHBondContact O-CE2 3.47Å | ||
| 3733 | P | 57.5 | Low | 69.6 | Low | 97 Ų | 97 | 67.1 Ų | 67.1 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -55.6 | -37.9 | -165.3 | 18.8 | -31.9 | 0 | 0 | 0 | 115.2 | D3735 Y3736 | P3733-D3735 VanDerWaalsContact C-N 3.28Å; P3733-D3735 PolarHBondContact O-N 2.95Å; P3733-Y3736 PolarHBondContact O-N 3.47Å |
| 3734 | N | 60.9 | Low | 69.6 | Low | 109 Ų | 109 | 67 Ų | 67 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -70.4 | -17.9 | -178.8 | -58.3 | 56.9 | 0 | 0 | 0 | 114 | Q3732 Y3736 | Q3732-N3734 VanDerWaalsContact C-N 3.32Å; Q3732-N3734 PolarHBondContact O-N 3.08Å; Q3732-N3734 VanDerWaalsContact O-N 3.11Å; N3734-Y3736 PolarHBondContact O-N 3.47Å |
| 3735 | D | 66.1 | Low | 70.1 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -69.1 | -15.3 | 176.3 | -83.6 | -21 | 0 | 0 | 0 | 113 | S3622 Q3732 P3733 | S3622-D3735 WeakPolarHBondContact CB-O 3.35Å; S3622-D3735 PolarHBondContact OG-O 3.29Å; Q3732-D3735 HydrophobicContact CB-CB 4.29Å; Q3732-D3735 WeakPolarHBondContact CB-OD2 3.14Å; Q3732-D3735 PolarHBondContact NE2-OD2 3.44Å; Q3732-D3735 WeakPolarHBondContact O-CB 3.45Å; Q3732-D3735 PolarHBondContact O-N 3.38Å; P3733-D3735 VanDerWaalsContact C-N 3.28Å; P3733-D3735 PolarHBondContact O-N 2.95Å |
| 3736 | Y | 73.9 | Confident | 71.1 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -100.9 | 2.6 | -172.6 | -60.1 | -83.3 | 0 | 0 | 0 | 113.3 | L3620 L3724 D3728 A3729 Q3732 P3733 N3734 | L3620-Y3736 VanDerWaalsContact CD2-C 3.48Å; L3724-Y3736 HydrophobicContact CB-CD1 3.87Å; L3724-Y3736 HydrophobicContact CB-CE1 3.78Å; L3724-Y3736 HydrophobicContact CD1-CD1 3.97Å; L3724-Y3736 HydrophobicContact CD1-CE1 3.58Å; L3724-Y3736 HydrophobicContact CG-CD1 4.47Å; L3724-Y3736 HydrophobicContact CG-CE1 4.31Å; D3728-Y3736 VanDerWaalsContact C-CZ 3.49Å; D3728-Y3736 VanDerWaalsContact C-OH 3.24Å; D3728-Y3736 HydrophobicContact CB-CE1 3.99Å; D3728-Y3736 WeakPolarHBondContact CB-OH 3.43Å; D3728-Y3736 PolarHBondContact O-OH 3.13Å; A3729-Y3736 HydrophobicContact CB-CD1 4.38Å; A3729-Y3736 HydrophobicContact CB-CD2 4.4Å; A3729-Y3736 HydrophobicContact CB-CG 4.34Å; Q3732-Y3736 WeakPolarHBondContact O-CD2 3.28Å; Q3732-Y3736 WeakPolarHBondContact O-CE2 3.47Å; P3733-Y3736 PolarHBondContact O-N 3.47Å; N3734-Y3736 PolarHBondContact O-N 3.47Å |
| 3737 | L | 81.1 | Confident | 72.8 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | trans | -110.1 | 126.7 | -164.8 | -160 | 55.7 | 0 | 0 | 0 | 109.9 | I3716 D3745 | I3716-L3737 HydrophobicContact CG1-CD1 3.83Å; L3737-D3745 WeakPolarHBondContact CD2-OD1 3.36Å | ||
| 3738 | Y | 86.1 | Confident | 74.5 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 108.9 | 176.1 | -173.4 | -89.5 | 0 | 0 | 0 | 109.8 | N3619 S3714 L3715 L3740 F3764 | N3619-Y3738 VanDerWaalsContact O-CD2 3.24Å; N3619-Y3738 WeakPolarHBondContact O-CD2 3.22Å; S3714-Y3738 CarbonylContact C-O 3.23Å; S3714-Y3738 VanDerWaalsContact CA-O 3.26Å; S3714-Y3738 WeakPolarHBondContact CA-O 3.4Å; S3714-Y3738 WeakPolarHBondContact CB-O 3.3Å; L3715-Y3738 PolarHBondContact N-O 2.96Å; L3715-Y3738 PolarHBondContact O-N 2.8Å; Y3738-L3740 HydrophobicContact CD1-CD2 4.14Å; Y3738-L3740 HydrophobicContact CE1-CD2 4.16Å; Y3738-L3740 PolarHBondContact O-N 3.28Å; Y3738-F3764 AromaticContact CD1-CD2 3.64Å; Y3738-F3764 HydrophobicContact CD1-CD2 3.64Å; Y3738-F3764 AromaticContact CD1-CE2 3.62Å; Y3738-F3764 HydrophobicContact CD1-CE2 3.62Å; Y3738-F3764 HydrophobicContact CD1-CG 4.27Å; Y3738-F3764 HydrophobicContact CD1-CZ 4.25Å; Y3738-F3764 HydrophobicContact CD2-CD2 4.49Å; Y3738-F3764 AromaticContact CD2-CE2 3.77Å; Y3738-F3764 HydrophobicContact CD2-CE2 3.77Å; Y3738-F3764 HydrophobicContact CD2-CZ 4.37Å; Y3738-F3764 AromaticContact CE1-CD2 3.26Å; Y3738-F3764 HydrophobicContact CE1-CD2 3.26Å; Y3738-F3764 AromaticContact CE1-CE2 3.54Å; Y3738-F3764 HydrophobicContact CE1-CE2 3.54Å; Y3738-F3764 HydrophobicContact CE1-CG 4.11Å; Y3738-F3764 HydrophobicContact CE2-CD2 4.19Å; Y3738-F3764 AromaticContact CE2-CE2 3.69Å; Y3738-F3764 HydrophobicContact CE2-CE2 3.69Å; Y3738-F3764 HydrophobicContact CG-CD2 4.25Å; Y3738-F3764 AromaticContact CG-CE2 3.74Å; Y3738-F3764 HydrophobicContact CG-CE2 3.74Å; Y3738-F3764 HydrophobicContact CG-CZ 4.14Å; Y3738-F3764 AromaticContact CZ-CD2 3.57Å; Y3738-F3764 AromaticContact CZ-CE2 3.57Å |
| 3739 | A | 89.9 | Confident | 76.4 | Confident | 40 Ų | 40 | 73 Ų | 73 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | V3741 | A3739-V3741 WeakPolarHBondContact CB-O 3.44Å; A3739-V3741 PolarHBondContact O-N 3.39Å |
| 3740 | L | 89.6 | Confident | 78.3 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -67.3 | -24.5 | 178.4 | -69.7 | 174.9 | 0 | 0 | 0 | 112.8 | F3713 L3715 Y3738 F3757 K3760 F3764 | F3713-L3740 WeakPolarHBondContact O-CB 3.44Å; F3713-L3740 PolarHBondContact O-N 2.84Å; L3715-L3740 HydrophobicContact CD2-CD1 4.25Å; L3715-L3740 HydrophobicContact CD2-CD2 3.79Å; L3715-L3740 HydrophobicContact CD2-CG 4.19Å; L3715-L3740 HydrophobicContact CG-CD2 4.44Å; Y3738-L3740 HydrophobicContact CD1-CD2 4.14Å; Y3738-L3740 HydrophobicContact CE1-CD2 4.16Å; Y3738-L3740 PolarHBondContact O-N 3.28Å; L3740-F3757 HydrophobicContact CD1-CD2 4.01Å; L3740-F3757 HydrophobicContact CD1-CE2 3.92Å; L3740-K3760 HydrophobicContact CB-CB 3.99Å; L3740-K3760 HydrophobicContact CD1-CB 4.21Å; L3740-K3760 HydrophobicContact CD2-CB 4.28Å; L3740-K3760 HydrophobicContact CG-CB 4.41Å; L3740-F3764 HydrophobicContact CD2-CB 3.84Å; L3740-F3764 HydrophobicContact CD2-CG 4.34Å |
| 3741 | V | 89.6 | Confident | 80 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 24% | 0.242 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -135 | 145.6 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 106.4 | F3713 A3739 G3743 G3744 K3760 | F3713-V3741 HydrophobicContact CB-CB 4.41Å; F3713-V3741 HydrophobicContact CD1-CB 4.26Å; F3713-V3741 HydrophobicContact CD1-CG2 3.62Å; F3713-V3741 HydrophobicContact CE1-CG2 4.19Å; F3713-V3741 HydrophobicContact CG-CG2 4.46Å; A3739-V3741 WeakPolarHBondContact CB-O 3.44Å; A3739-V3741 PolarHBondContact O-N 3.39Å; V3741-G3743 PolarHBondContact O-N 3.4Å; V3741-G3744 WeakPolarHBondContact O-CA 3.49Å; V3741-G3744 PolarHBondContact O-N 2.95Å; V3741-K3760 HydrophobicContact CG2-CD 4.44Å; V3741-K3760 HydrophobicContact CG2-CG 4.43Å |
| 3742 | P | 85.8 | Confident | 81.6 | Confident | 127 Ų | 127 | 67.5 Ų | 67.5 | 83% | 0.825 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.7 | 177.4 | -25.7 | 35.5 | 0 | 0 | 0 | 111.6 | G3744 | P3742-G3744 VanDerWaalsContact C-N 3.33Š|
| 3743 | G | 83.7 | Confident | 83.3 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 14.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V3741 D3745 E3746 | V3741-G3743 PolarHBondContact O-N 3.4Å; G3743-D3745 PolarHBondContact O-N 2.92Å; G3743-E3746 WeakPolarHBondContact O-CB 3.49Å; G3743-E3746 PolarHBondContact O-N 3.3Å |
| 3744 | G | 85.7 | Confident | 85 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -58.6 | -16 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | F3713 V3741 P3742 E3746 V3747 | F3713-G3744 CarbonylContact C-O 3.59Å; F3713-G3744 WeakPolarHBondContact CA-O 3.37Å; F3713-G3744 PolarHBondContact N-O 3.12Å; V3741-G3744 WeakPolarHBondContact O-CA 3.49Å; V3741-G3744 PolarHBondContact O-N 2.95Å; P3742-G3744 VanDerWaalsContact C-N 3.33Å; G3744-E3746 VanDerWaalsContact C-N 3.25Å; G3744-E3746 PolarHBondContact O-N 2.94Å; G3744-V3747 PolarHBondContact O-N 3.49Å |
| 3745 | D | 85.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -65.4 | -28.4 | 170.3 | -60.3 | -12.6 | 0 | 0 | 0 | 112.6 | S3714 L3737 G3743 | S3714-D3745 WeakPolarHBondContact CB-OD1 3.31Å; S3714-D3745 PolarHBondContact OG-OD1 3.28Å; L3737-D3745 WeakPolarHBondContact CD2-OD1 3.36Å; G3743-D3745 PolarHBondContact O-N 2.92Å |
| 3746 | E | 88 | Confident | 87.8 | Confident | 179 Ų | 179 | 55.7 Ų | 55.7 | 84% | 0.836 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -94.4 | -2.5 | 179.2 | -56.9 | -179.6 | 175.6 | 0 | 0 | 112.4 | G3743 G3744 | G3743-E3746 WeakPolarHBondContact O-CB 3.49Å; G3743-E3746 PolarHBondContact O-N 3.3Å; G3744-E3746 VanDerWaalsContact C-N 3.25Å; G3744-E3746 PolarHBondContact O-N 2.94Å |
| 3747 | V | 91.2 | Very high | 88.8 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | trans | -110.3 | 102.6 | -176.7 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | T3712 F3713 G3744 | T3712-V3747 CarbonylContact C-O 3.55Å; T3712-V3747 VanDerWaalsContact CA-O 3.23Å; T3712-V3747 WeakPolarHBondContact CA-O 3.47Å; F3713-V3747 HydrophobicContact CB-CB 4.23Å; F3713-V3747 HydrophobicContact CB-CG1 4.48Å; F3713-V3747 HydrophobicContact CD2-CB 4.21Å; F3713-V3747 HydrophobicContact CD2-CG1 3.64Å; F3713-V3747 HydrophobicContact CE2-CG1 4.15Å; F3713-V3747 HydrophobicContact CG-CG1 4.22Å; F3713-V3747 PolarHBondContact N-O 3.33Å; G3744-V3747 PolarHBondContact O-N 3.49Å | ||
| 3748 | E | 90.7 | Very high | 89.5 | Confident | 132 Ų | 132 | 52.4 Ų | 52.4 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | B | Isolated β-bridge | trans | -69.4 | 156.2 | 174.8 | -65.2 | 176.4 | 165 | 0 | 0 | 111.8 | L3711 N3750 N3753 | L3711-E3748 CarbonylContact O-C 3.58Å; L3711-E3748 WeakPolarHBondContact O-CA 3.48Å; E3748-N3750 PolarHBondContact O-OD1 2.64Å; E3748-N3753 PolarHBondContact O-ND2 2.93Å |
| 3749 | V | 90.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | trans | -98.9 | 116.8 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | I3706 L3711 F3713 N3753 V3754 F3757 | I3706-V3749 HydrophobicContact CG2-CG1 4.36Å; L3711-V3749 HydrophobicContact CB-CB 3.91Å; L3711-V3749 HydrophobicContact CB-CG2 3.89Å; L3711-V3749 PolarHBondContact O-N 3.19Å; F3713-V3749 HydrophobicContact CD2-CG2 3.87Å; F3713-V3749 HydrophobicContact CE2-CG2 3.88Å; V3749-N3753 VanDerWaalsContact CA-OD1 3.31Å; V3749-N3753 WeakPolarHBondContact CA-OD1 3.32Å; V3749-V3754 HydrophobicContact CG1-CB 3.75Å; V3749-V3754 HydrophobicContact CG1-CG2 3.88Å; V3749-F3757 HydrophobicContact CG1-CB 4.02Å; V3749-F3757 HydrophobicContact CG1-CD1 4.27Å; V3749-F3757 HydrophobicContact CG1-CG 4.12Å; V3749-F3757 HydrophobicContact CG2-CB 4.07Å; V3749-F3757 HydrophobicContact CG2-CD1 4.37Å; V3749-F3757 HydrophobicContact CG2-CD2 3.59Å; V3749-F3757 HydrophobicContact CG2-CE2 4.1Å; V3749-F3757 HydrophobicContact CG2-CG 3.74Å | ||
| 3750 | N | 89.2 | Confident | 90.1 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | trans | -125.9 | 170.5 | -178.7 | -48.9 | 69.4 | 0 | 0 | 0 | 109.1 | E3707 E3748 S3752 N3753 V3754 | E3707-N3750 PolarHBondContact OE1-ND2 3.03Å; E3748-N3750 PolarHBondContact O-OD1 2.64Å; N3750-S3752 PolarHBondContact O-N 2.99Å; N3750-N3753 PolarHBondContact N-OD1 3.24Å; N3750-N3753 PolarHBondContact O-N 3.45Å; N3750-N3753 PolarHBondContact O-OD1 3.07Å; N3750-V3754 PolarHBondContact O-N 3.39Å | ||
| 3751 | E | 86.3 | Confident | 90.4 | Very high | 116 Ų | 116 | 53.5 Ų | 53.5 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -32.2 | -177.7 | -63.5 | 176 | 175.5 | 0 | 0 | 113.9 | I3706 | I3706-E3751 HydrophobicContact CD1-CG 4.18Š|
| 3752 | S | 87.5 | Confident | 90.7 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 69% | 0.685 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -18.3 | -179 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | V2875 N3750 | V2875-S3752 WeakPolarHBondContact CG1-O 3.44Å; N3750-S3752 PolarHBondContact O-N 2.99Å |
| 3753 | N | 91.1 | Very high | 91.1 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -9.6 | -174.1 | 71.5 | 17.2 | 0 | 0 | 0 | 114 | F3713 E3748 V3749 N3750 F3755 E3756 F3757 | F3713-N3753 HydrophobicContact CE2-CB 4.2Å; F3713-N3753 HydrophobicContact CZ-CB 4.11Å; E3748-N3753 PolarHBondContact O-ND2 2.93Å; V3749-N3753 VanDerWaalsContact CA-OD1 3.31Å; V3749-N3753 WeakPolarHBondContact CA-OD1 3.32Å; N3750-N3753 PolarHBondContact N-OD1 3.24Å; N3750-N3753 PolarHBondContact O-N 3.45Å; N3750-N3753 PolarHBondContact O-OD1 3.07Å; N3753-F3755 VanDerWaalsContact C-N 3.28Å; N3753-F3755 PolarHBondContact O-N 3.41Å; N3753-E3756 WeakPolarHBondContact O-CA 3.44Å; N3753-E3756 WeakPolarHBondContact O-CB 3.36Å; N3753-E3756 PolarHBondContact O-N 3.04Å; N3753-F3757 PolarHBondContact O-N 3.4Å |
| 3754 | V | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -31.5 | -177.2 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | L3691 L3692 T3695 I3706 V3749 N3750 E3756 F3757 V3758 | L3691-V3754 HydrophobicContact CD2-CG2 3.97Å; L3691-V3754 HydrophobicContact CG-CG2 3.96Å; L3692-V3754 HydrophobicContact CD2-CG1 4.33Å; L3692-V3754 HydrophobicContact CD2-CG2 4.19Å; T3695-V3754 HydrophobicContact CG2-CG1 3.33Å; I3706-V3754 HydrophobicContact CD1-CG1 4.14Å; V3749-V3754 HydrophobicContact CG1-CB 3.75Å; V3749-V3754 HydrophobicContact CG1-CG2 3.88Å; N3750-V3754 PolarHBondContact O-N 3.39Å; V3754-E3756 VanDerWaalsContact C-N 3.27Å; V3754-E3756 PolarHBondContact O-N 2.68Å; V3754-F3757 WeakPolarHBondContact O-CB 3.26Å; V3754-F3757 PolarHBondContact O-N 2.8Å; V3754-V3758 HydrophobicContact CG2-CG2 4.46Å; V3754-V3758 WeakPolarHBondContact O-CG2 3.3Å; V3754-V3758 PolarHBondContact O-N 2.79Å |
| 3755 | F | 93.8 | Very high | 92 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -33.6 | 171.5 | -78.3 | -83.1 | 0 | 0 | 0 | 112.4 | T2876 R2878 F2883 L2900 L3692 T3695 N3753 K3759 | T2876-F3755 VanDerWaalsContact O-CB 3.27Å; T2876-F3755 WeakPolarHBondContact O-CB 3.36Å; R2878-F3755 HydrophobicContact CB-CD1 4.28Å; R2878-F3755 HydrophobicContact CB-CE1 3.64Å; R2878-F3755 HydrophobicContact CB-CE2 4.37Å; R2878-F3755 HydrophobicContact CB-CZ 3.71Å; R2878-F3755 HydrophobicContact CG-CE1 4.07Å; R2878-F3755 HydrophobicContact CG-CZ 4.23Å; F2883-F3755 HydrophobicContact CD2-CD1 4.28Å; F2883-F3755 HydrophobicContact CE1-CD1 4.44Å; F2883-F3755 HydrophobicContact CE2-CB 4.23Å; F2883-F3755 AromaticContact CE2-CD1 3.89Å; F2883-F3755 HydrophobicContact CE2-CD1 3.89Å; F2883-F3755 HydrophobicContact CZ-CB 4.49Å; F2883-F3755 AromaticContact CZ-CD1 3.99Å; F2883-F3755 HydrophobicContact CZ-CD1 3.99Å; F2883-F3755 WeakPolarHBondContact CZ-O 3.38Å; L2900-F3755 HydrophobicContact CD1-CE1 4.07Å; L3692-F3755 HydrophobicContact CD1-CD1 4.42Å; L3692-F3755 HydrophobicContact CD1-CE1 4.25Å; L3692-F3755 HydrophobicContact CD2-CD1 3.79Å; L3692-F3755 HydrophobicContact CD2-CD2 4.32Å; L3692-F3755 HydrophobicContact CD2-CE1 3.82Å; L3692-F3755 HydrophobicContact CD2-CE2 4.35Å; L3692-F3755 HydrophobicContact CD2-CG 4.04Å; L3692-F3755 HydrophobicContact CD2-CZ 4.1Å; L3692-F3755 HydrophobicContact CG-CE1 4.45Å; T3695-F3755 HydrophobicContact CG2-CE2 4.25Å; T3695-F3755 WeakPolarHBondContact OG1-CE2 3.44Å; N3753-F3755 VanDerWaalsContact C-N 3.28Å; N3753-F3755 PolarHBondContact O-N 3.41Å; F3755-K3759 WeakPolarHBondContact O-CB 3.47Å; F3755-K3759 PolarHBondContact O-N 3.16Å |
| 3756 | E | 93.3 | Very high | 92.4 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.8 | -42.6 | 172.6 | -171.2 | 151.3 | 165.5 | 0 | 0 | 111.5 | T2876 F3713 N3753 V3754 V3758 K3759 K3760 | T2876-E3756 PolarHBondContact N-OE2 3.33Å; T2876-E3756 WeakPolarHBondContact OG1-CG 3.47Å; T2876-E3756 PolarHBondContact OG1-OE2 2.73Å; T2876-E3756 VanDerWaalsContact OG1-OE2 3.13Å; F3713-E3756 HydrophobicContact CE1-CB 4.32Å; F3713-E3756 HydrophobicContact CE1-CG 4.18Å; F3713-E3756 HydrophobicContact CZ-CB 4.34Å; N3753-E3756 WeakPolarHBondContact O-CA 3.44Å; N3753-E3756 WeakPolarHBondContact O-CB 3.36Å; N3753-E3756 PolarHBondContact O-N 3.04Å; V3754-E3756 VanDerWaalsContact C-N 3.27Å; V3754-E3756 PolarHBondContact O-N 2.68Å; E3756-V3758 VanDerWaalsContact C-N 3.34Å; E3756-V3758 PolarHBondContact O-N 3.11Å; E3756-K3759 PolarHBondContact O-N 3.25Å; E3756-K3759 VanDerWaalsContact O-N 3.16Å; E3756-K3760 HydrophobicContact CG-CG 4.01Å; E3756-K3760 VanDerWaalsContact O-CG 3.24Å; E3756-K3760 WeakPolarHBondContact O-CG 3.06Å; E3756-K3760 PolarHBondContact O-N 3.5Å; E3756-K3760 WeakPolarHBondContact OE1-CE 3.17Å; E3756-K3760 IonicContact OE1-NZ 2.73Å |
| 3757 | F | 94.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.6 | -51.1 | 174 | 172.3 | -102.6 | 0 | 0 | 0 | 111.4 | L3691 L3711 T3712 F3713 L3740 V3749 N3753 V3754 K3759 K3760 Y3761 | L3691-F3757 HydrophobicContact CD2-CE1 4.49Å; L3711-F3757 HydrophobicContact CD1-CE1 4.39Å; T3712-F3757 VanDerWaalsContact O-CE2 3.23Å; T3712-F3757 WeakPolarHBondContact O-CE2 3.19Å; F3713-F3757 HydrophobicContact CE1-CB 3.92Å; F3713-F3757 HydrophobicContact CE2-CB 4.07Å; F3713-F3757 HydrophobicContact CG-CD2 4.5Å; F3713-F3757 HydrophobicContact CZ-CB 3.65Å; L3740-F3757 HydrophobicContact CD1-CD2 4.01Å; L3740-F3757 HydrophobicContact CD1-CE2 3.92Å; V3749-F3757 HydrophobicContact CG1-CB 4.02Å; V3749-F3757 HydrophobicContact CG1-CD1 4.27Å; V3749-F3757 HydrophobicContact CG1-CG 4.12Å; V3749-F3757 HydrophobicContact CG2-CB 4.07Å; V3749-F3757 HydrophobicContact CG2-CD1 4.37Å; V3749-F3757 HydrophobicContact CG2-CD2 3.59Å; V3749-F3757 HydrophobicContact CG2-CE2 4.1Å; V3749-F3757 HydrophobicContact CG2-CG 3.74Å; N3753-F3757 PolarHBondContact O-N 3.4Å; V3754-F3757 WeakPolarHBondContact O-CB 3.26Å; V3754-F3757 PolarHBondContact O-N 2.8Å; F3757-K3759 PolarHBondContact O-N 2.89Å; F3757-K3760 PolarHBondContact O-N 3.14Å; F3757-Y3761 HydrophobicContact CZ-CD2 4.11Å; F3757-Y3761 WeakPolarHBondContact O-CB 3.49Å; F3757-Y3761 PolarHBondContact O-N 3.44Å |
| 3758 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | F2883 W3674 L3688 L3692 V3754 E3756 T3762 | F2883-V3758 HydrophobicContact CE1-CG1 4.21Å; F2883-V3758 HydrophobicContact CZ-CB 4.44Å; F2883-V3758 HydrophobicContact CZ-CG1 4.38Å; W3674-V3758 HydrophobicContact CE3-CG1 4Å; W3674-V3758 HydrophobicContact CH2-CG1 4.22Å; W3674-V3758 HydrophobicContact CZ3-CG1 3.68Å; L3688-V3758 HydrophobicContact CD1-CG1 4.45Å; L3688-V3758 HydrophobicContact CD2-CG2 4.29Å; L3692-V3758 HydrophobicContact CD1-CB 4.42Å; L3692-V3758 HydrophobicContact CD1-CG1 4.15Å; L3692-V3758 HydrophobicContact CD1-CG2 4.27Å; L3692-V3758 HydrophobicContact CD2-CB 4.48Å; L3692-V3758 HydrophobicContact CD2-CG2 3.9Å; L3692-V3758 HydrophobicContact CG-CG2 4.05Å; V3754-V3758 HydrophobicContact CG2-CG2 4.46Å; V3754-V3758 WeakPolarHBondContact O-CG2 3.3Å; V3754-V3758 PolarHBondContact O-N 2.79Å; E3756-V3758 VanDerWaalsContact C-N 3.34Å; E3756-V3758 PolarHBondContact O-N 3.11Å; V3758-T3762 HydrophobicContact CG1-CG2 4.28Å; V3758-T3762 WeakPolarHBondContact O-CB 3.16Å; V3758-T3762 VanDerWaalsContact O-CG2 3.28Å; V3758-T3762 WeakPolarHBondContact O-CG2 3.23Å; V3758-T3762 PolarHBondContact O-N 3.39Å; V3758-T3762 PolarHBondContact O-OG1 3.42Å |
| 3759 | K | 95.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 176.6 | -177.7 | 171.4 | 175.3 | 176.9 | 0 | 111.9 | T2876 D2880 F2882 F2883 F3755 E3756 F3757 T3762 E3763 | T2876-K3759 HydrophobicContact CG2-CB 4.43Å; T2876-K3759 HydrophobicContact CG2-CD 3.52Å; D2880-K3759 IonicContact OD1-NZ 3.75Å; D2880-K3759 PolarHBondContact OD1-NZ 2.85Å; D2880-K3759 IonicContact OD2-NZ 2.7Å; D2880-K3759 PolarHBondContact OD2-NZ 3.38Å; F2882-K3759 HydrophobicContact CB-CD 4.06Å; F2882-K3759 HydrophobicContact CB-CG 4.44Å; F2882-K3759 HydrophobicContact CD1-CB 4.13Å; F2882-K3759 HydrophobicContact CD1-CD 4.25Å; F2882-K3759 HydrophobicContact CD1-CG 3.83Å; F2882-K3759 HydrophobicContact CD2-CG 4.5Å; F2882-K3759 HydrophobicContact CE1-CB 4.27Å; F2882-K3759 HydrophobicContact CE1-CG 4.18Å; F2882-K3759 HydrophobicContact CG-CD 4.18Å; F2882-K3759 HydrophobicContact CG-CG 4.01Å; F2883-K3759 HydrophobicContact CE2-CB 4.48Å; F2883-K3759 HydrophobicContact CZ-CB 4.41Å; F3755-K3759 WeakPolarHBondContact O-CB 3.47Å; F3755-K3759 PolarHBondContact O-N 3.16Å; E3756-K3759 PolarHBondContact O-N 3.25Å; E3756-K3759 VanDerWaalsContact O-N 3.16Å; F3757-K3759 PolarHBondContact O-N 2.89Å; K3759-T3762 PolarHBondContact O-OG1 2.93Å; K3759-E3763 WeakPolarHBondContact O-CB 3.42Å; K3759-E3763 PolarHBondContact O-N 3Å |
| 3760 | K | 94.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 33.9 Ų | 33.9 | 30% | 0.296 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.6 | -45.9 | 178.5 | -60.8 | -75.2 | -179.7 | 174.7 | 0 | 112 | L3740 V3741 E3756 F3757 T3762 E3763 F3764 | L3740-K3760 HydrophobicContact CB-CB 3.99Å; L3740-K3760 HydrophobicContact CD1-CB 4.21Å; L3740-K3760 HydrophobicContact CD2-CB 4.28Å; L3740-K3760 HydrophobicContact CG-CB 4.41Å; V3741-K3760 HydrophobicContact CG2-CD 4.44Å; V3741-K3760 HydrophobicContact CG2-CG 4.43Å; E3756-K3760 HydrophobicContact CG-CG 4.01Å; E3756-K3760 VanDerWaalsContact O-CG 3.24Å; E3756-K3760 WeakPolarHBondContact O-CG 3.06Å; E3756-K3760 PolarHBondContact O-N 3.5Å; E3756-K3760 WeakPolarHBondContact OE1-CE 3.17Å; E3756-K3760 IonicContact OE1-NZ 2.73Å; F3757-K3760 PolarHBondContact O-N 3.14Å; K3760-T3762 PolarHBondContact O-N 2.86Å; K3760-E3763 PolarHBondContact O-N 3.26Å; K3760-F3764 WeakPolarHBondContact O-CB 3.43Å; K3760-F3764 PolarHBondContact O-N 3.08Å |
| 3761 | Y | 95.2 | Very high | 93 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 178.4 | -179.1 | -83.3 | 0 | 0 | 0 | 111.8 | F3677 T3684 L3688 L3715 F3757 F3764 K3765 | F3677-Y3761 HydrophobicContact CZ-CE1 4.23Å; T3684-Y3761 HydrophobicContact CG2-CE1 3.98Å; L3688-Y3761 HydrophobicContact CD1-CD1 3.86Å; L3688-Y3761 HydrophobicContact CD1-CE1 3.93Å; L3715-Y3761 HydrophobicContact CD2-CD2 3.61Å; L3715-Y3761 HydrophobicContact CD2-CE2 3.92Å; L3715-Y3761 HydrophobicContact CD2-CG 4.41Å; F3757-Y3761 HydrophobicContact CZ-CD2 4.11Å; F3757-Y3761 WeakPolarHBondContact O-CB 3.49Å; F3757-Y3761 PolarHBondContact O-N 3.44Å; Y3761-F3764 PolarHBondContact O-N 2.81Å; Y3761-K3765 HydrophobicContact CE1-CD 3.86Å; Y3761-K3765 PolarHBondContact O-N 2.82Å; Y3761-K3765 WeakPolarHBondContact OH-CE 3.45Å |
| 3762 | T | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.7 | -34.6 | -179.2 | 55.9 | 0 | 0 | 0 | 0 | 113 | F2882 W3674 F3677 L3688 V3758 K3759 K3760 F3764 M3766 | F2882-T3762 VanDerWaalsContact CZ-OG1 3.28Å; F2882-T3762 WeakPolarHBondContact CZ-OG1 3.43Å; W3674-T3762 HydrophobicContact CE3-CG2 4.12Å; W3674-T3762 HydrophobicContact CZ3-CG2 3.85Å; F3677-T3762 HydrophobicContact CB-CG2 4.25Å; F3677-T3762 HydrophobicContact CD1-CG2 3.83Å; F3677-T3762 HydrophobicContact CD2-CG2 3.78Å; F3677-T3762 HydrophobicContact CE1-CG2 4.11Å; F3677-T3762 HydrophobicContact CE2-CG2 4.05Å; F3677-T3762 HydrophobicContact CG-CG2 3.67Å; F3677-T3762 HydrophobicContact CZ-CG2 4.22Å; L3688-T3762 HydrophobicContact CD1-CG2 4.12Å; V3758-T3762 HydrophobicContact CG1-CG2 4.28Å; V3758-T3762 WeakPolarHBondContact O-CB 3.16Å; V3758-T3762 VanDerWaalsContact O-CG2 3.28Å; V3758-T3762 WeakPolarHBondContact O-CG2 3.23Å; V3758-T3762 PolarHBondContact O-N 3.39Å; V3758-T3762 PolarHBondContact O-OG1 3.42Å; K3759-T3762 PolarHBondContact O-OG1 2.93Å; K3760-T3762 PolarHBondContact O-N 2.86Å; T3762-F3764 VanDerWaalsContact C-N 3.35Å; T3762-M3766 WeakPolarHBondContact O-CB 3.43Å; T3762-M3766 WeakPolarHBondContact O-CG 3.35Å; T3762-M3766 PolarHBondContact O-N 3.43Å |
| 3763 | E | 94.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 28% | 0.28 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.5 | -39 | 169.9 | -172.5 | 172.4 | -161.5 | 0 | 0 | 111.6 | K3759 K3760 K3767 I3768 | K3759-E3763 WeakPolarHBondContact O-CB 3.42Å; K3759-E3763 PolarHBondContact O-N 3Å; K3760-E3763 PolarHBondContact O-N 3.26Å; E3763-K3767 HydrophobicContact CG-CB 4.38Å; E3763-K3767 HydrophobicContact CG-CD 4.05Å; E3763-K3767 WeakPolarHBondContact O-CB 3.33Å; E3763-K3767 PolarHBondContact O-N 3.33Å; E3763-K3767 WeakPolarHBondContact OE1-CD 3.43Å; E3763-K3767 IonicContact OE1-NZ 3.21Å; E3763-K3767 PolarHBondContact OE1-NZ 3.05Å; E3763-I3768 HydrophobicContact CG-CD1 4.25Å; E3763-I3768 HydrophobicContact CG-CG1 4.18Å; E3763-I3768 PolarHBondContact O-N 3.41Å; E3763-I3768 VanDerWaalsContact O-N 3.12Å |
| 3764 | F | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.1 | -56.6 | 174.9 | 174.7 | -98.4 | 0 | 0 | 0 | 111.5 | L3715 P3717 Y3738 L3740 K3760 Y3761 T3762 I3768 A3769 | L3715-F3764 HydrophobicContact CD1-CD1 4.03Å; L3715-F3764 HydrophobicContact CD1-CE1 3.71Å; L3715-F3764 HydrophobicContact CD1-CZ 4.31Å; L3715-F3764 HydrophobicContact CD2-CD1 3.9Å; L3715-F3764 HydrophobicContact CD2-CE1 4.42Å; L3715-F3764 HydrophobicContact CD2-CG 4.46Å; P3717-F3764 HydrophobicContact CB-CE1 4.25Å; P3717-F3764 HydrophobicContact CB-CZ 4.14Å; P3717-F3764 HydrophobicContact CG-CE1 4.44Å; P3717-F3764 HydrophobicContact CG-CZ 4.07Å; Y3738-F3764 AromaticContact CD1-CD2 3.64Å; Y3738-F3764 HydrophobicContact CD1-CD2 3.64Å; Y3738-F3764 AromaticContact CD1-CE2 3.62Å; Y3738-F3764 HydrophobicContact CD1-CE2 3.62Å; Y3738-F3764 HydrophobicContact CD1-CG 4.27Å; Y3738-F3764 HydrophobicContact CD1-CZ 4.25Å; Y3738-F3764 HydrophobicContact CD2-CD2 4.49Å; Y3738-F3764 AromaticContact CD2-CE2 3.77Å; Y3738-F3764 HydrophobicContact CD2-CE2 3.77Å; Y3738-F3764 HydrophobicContact CD2-CZ 4.37Å; Y3738-F3764 AromaticContact CE1-CD2 3.26Å; Y3738-F3764 HydrophobicContact CE1-CD2 3.26Å; Y3738-F3764 AromaticContact CE1-CE2 3.54Å; Y3738-F3764 HydrophobicContact CE1-CE2 3.54Å; Y3738-F3764 HydrophobicContact CE1-CG 4.11Å; Y3738-F3764 HydrophobicContact CE2-CD2 4.19Å; Y3738-F3764 AromaticContact CE2-CE2 3.69Å; Y3738-F3764 HydrophobicContact CE2-CE2 3.69Å; Y3738-F3764 HydrophobicContact CG-CD2 4.25Å; Y3738-F3764 AromaticContact CG-CE2 3.74Å; Y3738-F3764 HydrophobicContact CG-CE2 3.74Å; Y3738-F3764 HydrophobicContact CG-CZ 4.14Å; Y3738-F3764 AromaticContact CZ-CD2 3.57Å; Y3738-F3764 AromaticContact CZ-CE2 3.57Å; L3740-F3764 HydrophobicContact CD2-CB 3.84Å; L3740-F3764 HydrophobicContact CD2-CG 4.34Å; K3760-F3764 WeakPolarHBondContact O-CB 3.43Å; K3760-F3764 PolarHBondContact O-N 3.08Å; Y3761-F3764 PolarHBondContact O-N 2.81Å; T3762-F3764 VanDerWaalsContact C-N 3.35Å; F3764-I3768 HydrophobicContact CB-CD1 4.47Å; F3764-I3768 HydrophobicContact CD2-CB 4.11Å; F3764-I3768 HydrophobicContact CD2-CG2 4.4Å; F3764-I3768 PolarHBondContact O-N 3.3Å; F3764-A3769 HydrophobicContact CD1-CB 4.47Å; F3764-A3769 HydrophobicContact CD2-CB 4.47Å; F3764-A3769 HydrophobicContact CE1-CB 4Å; F3764-A3769 HydrophobicContact CE2-CB 4.01Å; F3764-A3769 HydrophobicContact CZ-CB 3.76Å; F3764-A3769 WeakPolarHBondContact O-CB 3.48Å; F3764-A3769 PolarHBondContact O-N 2.85Å |
| 3765 | K | 93.9 | Very high | 94.3 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | -176.9 | -71.4 | -168.8 | 172.9 | -115.8 | 0 | 113.7 | F3677 Y3680 E3721 Y3761 | F3677-K3765 HydrophobicContact CE2-CB 4.15Å; F3677-K3765 HydrophobicContact CE2-CD 4.34Å; F3677-K3765 HydrophobicContact CZ-CD 4.42Å; Y3680-K3765 HydrophobicContact CE1-CB 4.07Å; Y3680-K3765 HydrophobicContact CE1-CD 4.13Å; E3721-K3765 WeakPolarHBondContact OE1-CD 3.44Å; E3721-K3765 WeakPolarHBondContact OE1-CE 3.42Å; E3721-K3765 IonicContact OE1-NZ 2.82Å; E3721-K3765 PolarHBondContact OE1-NZ 3.49Å; E3721-K3765 WeakPolarHBondContact OE2-CE 3.22Å; E3721-K3765 IonicContact OE2-NZ 3.73Å; E3721-K3765 PolarHBondContact OE2-NZ 3.12Å; Y3761-K3765 HydrophobicContact CE1-CD 3.86Å; Y3761-K3765 PolarHBondContact O-N 2.82Å; Y3761-K3765 WeakPolarHBondContact OH-CE 3.45Å |
| 3766 | M | 94 | Very high | 94.4 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -84.1 | -19.5 | -177.1 | -69.2 | -168.4 | -70 | 0 | 0 | 115.3 | F2882 P3662 V3672 D3676 F3677 Y3680 T3762 | F2882-M3766 HydrophobicContact CZ-CE 4.46Å; P3662-M3766 HydrophobicContact CB-CB 4.39Å; P3662-M3766 HydrophobicContact CB-CG 4.45Å; P3662-M3766 HydrophobicContact CB-SD 4.18Å; P3662-M3766 HydrophobicContact CG-CG 4.13Å; P3662-M3766 HydrophobicContact CG-SD 3.62Å; V3672-M3766 HydrophobicContact CG1-CB 4.41Å; V3672-M3766 HydrophobicContact CG1-CE 3.53Å; V3672-M3766 HydrophobicContact CG1-SD 3.65Å; D3676-M3766 HydrophobicContact CB-SD 4.17Å; F3677-M3766 VanDerWaalsContact CA-SD 3.55Å; F3677-M3766 HydrophobicContact CB-CE 3.89Å; F3677-M3766 HydrophobicContact CB-SD 3.88Å; F3677-M3766 HydrophobicContact CD2-CE 4.19Å; F3677-M3766 HydrophobicContact CD2-CG 3.85Å; F3677-M3766 HydrophobicContact CD2-SD 3.99Å; F3677-M3766 HydrophobicContact CG-SD 4.46Å; Y3680-M3766 HydrophobicContact CD2-CG 4.5Å; Y3680-M3766 HydrophobicContact CG-CG 4.44Å; T3762-M3766 WeakPolarHBondContact O-CB 3.43Å; T3762-M3766 WeakPolarHBondContact O-CG 3.35Å; T3762-M3766 PolarHBondContact O-N 3.43Å |
| 3767 | K | 92.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 29.8 Ų | 29.8 | 33% | 0.326 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | -60.8 | -169.6 | 174.2 | -170.7 | 159.5 | -162.2 | 0 | 112.6 | E3763 A3769 V3770 Q3771 | E3763-K3767 HydrophobicContact CG-CB 4.38Å; E3763-K3767 HydrophobicContact CG-CD 4.05Å; E3763-K3767 WeakPolarHBondContact O-CB 3.33Å; E3763-K3767 PolarHBondContact O-N 3.33Å; E3763-K3767 WeakPolarHBondContact OE1-CD 3.43Å; E3763-K3767 IonicContact OE1-NZ 3.21Å; E3763-K3767 PolarHBondContact OE1-NZ 3.05Å; K3767-A3769 PolarHBondContact O-N 3.2Å; K3767-V3770 CarbonylContact O-C 3.46Å; K3767-V3770 PolarHBondContact O-N 3.42Å; K3767-Q3771 VanDerWaalsContact O-CA 3.32Å; K3767-Q3771 WeakPolarHBondContact O-CA 3.49Å; K3767-Q3771 PolarHBondContact O-N 3.34Å |
| 3768 | I | 92.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 30% | 0.297 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -65 | -47.7 | -166.7 | -50.7 | 174.6 | 0 | 0 | 0 | 110.8 | E3763 F3764 V3770 Q3771 | E3763-I3768 HydrophobicContact CG-CD1 4.25Å; E3763-I3768 HydrophobicContact CG-CG1 4.18Å; E3763-I3768 PolarHBondContact O-N 3.41Å; E3763-I3768 VanDerWaalsContact O-N 3.12Å; F3764-I3768 HydrophobicContact CB-CD1 4.47Å; F3764-I3768 HydrophobicContact CD2-CB 4.11Å; F3764-I3768 HydrophobicContact CD2-CG2 4.4Å; F3764-I3768 PolarHBondContact O-N 3.3Å; I3768-V3770 PolarHBondContact O-N 2.78Å; I3768-Q3771 PolarHBondContact O-N 3.33Å |
| 3769 | A | 91.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -61.5 | -16.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N3619 F3764 K3767 | N3619-A3769 WeakPolarHBondContact ND2-CA 3.42Å; N3619-A3769 PolarHBondContact ND2-O 3.09Å; F3764-A3769 HydrophobicContact CD1-CB 4.47Å; F3764-A3769 HydrophobicContact CD2-CB 4.47Å; F3764-A3769 HydrophobicContact CE1-CB 4Å; F3764-A3769 HydrophobicContact CE2-CB 4.01Å; F3764-A3769 HydrophobicContact CZ-CB 3.76Å; F3764-A3769 WeakPolarHBondContact O-CB 3.48Å; F3764-A3769 PolarHBondContact O-N 2.85Å; K3767-A3769 PolarHBondContact O-N 3.2Å |
| 3770 | V | 93.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -138.5 | 24.6 | -174.6 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | F3611 P3612 A3614 K3767 I3768 E3772 P3773 L3774 | F3611-V3770 HydrophobicContact CD1-CG2 4.45Å; F3611-V3770 HydrophobicContact CE1-CB 4.48Å; F3611-V3770 HydrophobicContact CE1-CG1 4.27Å; F3611-V3770 HydrophobicContact CE1-CG2 3.5Å; F3611-V3770 VanDerWaalsContact CE1-CG2 3.5Å; F3611-V3770 HydrophobicContact CZ-CG2 3.98Å; P3612-V3770 HydrophobicContact CB-CB 4.21Å; P3612-V3770 HydrophobicContact CB-CG1 4.25Å; A3614-V3770 HydrophobicContact CB-CG1 4.43Å; K3767-V3770 CarbonylContact O-C 3.46Å; K3767-V3770 PolarHBondContact O-N 3.42Å; I3768-V3770 PolarHBondContact O-N 2.78Å; V3770-E3772 PolarHBondContact O-N 3.02Å; V3770-P3773 HydrophobicContact CB-CG 4.45Å; V3770-P3773 VanDerWaalsContact O-CD 3.26Å; V3770-P3773 WeakPolarHBondContact O-CD 3.4Å; V3770-L3774 HydrophobicContact CG2-CD1 3.76Å; V3770-L3774 HydrophobicContact CG2-CG 3.99Å; V3770-L3774 WeakPolarHBondContact O-CG 3.26Å; V3770-L3774 PolarHBondContact O-N 2.92Å |
| 3771 | Q | 93.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 35% | 0.346 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -57.3 | -48.4 | -171.7 | -176.8 | 179.9 | -97.6 | 0 | 0 | 112.5 | K3767 I3768 L3774 E3775 | K3767-Q3771 VanDerWaalsContact O-CA 3.32Å; K3767-Q3771 WeakPolarHBondContact O-CA 3.49Å; K3767-Q3771 PolarHBondContact O-N 3.34Å; I3768-Q3771 PolarHBondContact O-N 3.33Å; Q3771-L3774 PolarHBondContact O-N 3.37Å; Q3771-E3775 WeakPolarHBondContact O-CB 3.19Å; Q3771-E3775 PolarHBondContact O-N 2.98Å |
| 3772 | E | 94 | Very high | 94.8 | Very high | 78 Ų | 78 | 30 Ų | 30 | 36% | 0.364 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67 | -45.4 | -178.4 | -72.5 | 58.7 | -130 | 0 | 0 | 112.5 | Y3635 V3770 L3774 E3775 Q3776 | Y3635-E3772 HydrophobicContact CE1-CB 3.97Å; Y3635-E3772 HydrophobicContact CE2-CB 4.01Å; Y3635-E3772 HydrophobicContact CE2-CG 4.41Å; V3770-E3772 PolarHBondContact O-N 3.02Å; E3772-L3774 PolarHBondContact O-N 3.15Å; E3772-E3775 PolarHBondContact O-N 2.77Å; E3772-Q3776 WeakPolarHBondContact O-CG 3.18Å; E3772-Q3776 PolarHBondContact O-N 3.02Å |
| 3773 | P | 95.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -49.7 | -48.3 | 166.2 | -31.5 | 34.9 | 0 | 0 | 0 | 114.8 | P3612 Y3635 Y3638 V3770 Q3776 L3777 | P3612-P3773 HydrophobicContact CB-CB 3.88Å; Y3635-P3773 HydrophobicContact CE1-CG 4.23Å; Y3638-P3773 HydrophobicContact CD1-CB 4.34Å; Y3638-P3773 HydrophobicContact CD2-CB 4Å; Y3638-P3773 HydrophobicContact CD2-CG 4.3Å; Y3638-P3773 HydrophobicContact CE1-CB 4.08Å; Y3638-P3773 HydrophobicContact CE2-CB 3.7Å; Y3638-P3773 HydrophobicContact CE2-CG 3.78Å; Y3638-P3773 HydrophobicContact CG-CB 4.29Å; V3770-P3773 HydrophobicContact CB-CG 4.45Å; V3770-P3773 VanDerWaalsContact O-CD 3.26Å; V3770-P3773 WeakPolarHBondContact O-CD 3.4Å; P3773-Q3776 PolarHBondContact O-N 3.38Å; P3773-L3777 WeakPolarHBondContact O-CG 3.28Å; P3773-L3777 PolarHBondContact O-N 2.68Å |
| 3774 | L | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 179 | -72.1 | 175.2 | 0 | 0 | 0 | 111.8 | P3612 I3663 Y3666 V3770 Q3771 E3772 L3777 R3778 | P3612-L3774 HydrophobicContact CG-CD2 4.05Å; I3663-L3774 HydrophobicContact CB-CD2 4.22Å; I3663-L3774 HydrophobicContact CG1-CD2 3.88Å; I3663-L3774 HydrophobicContact CG2-CD2 4.06Å; Y3666-L3774 HydrophobicContact CD1-CB 3.78Å; Y3666-L3774 HydrophobicContact CD2-CB 4.35Å; Y3666-L3774 HydrophobicContact CD2-CD1 4.13Å; Y3666-L3774 HydrophobicContact CE1-CB 3.86Å; Y3666-L3774 HydrophobicContact CE2-CB 4.4Å; Y3666-L3774 HydrophobicContact CG-CB 4.08Å; Y3666-L3774 HydrophobicContact CG-CD1 4.31Å; V3770-L3774 HydrophobicContact CG2-CD1 3.76Å; V3770-L3774 HydrophobicContact CG2-CG 3.99Å; V3770-L3774 WeakPolarHBondContact O-CG 3.26Å; V3770-L3774 PolarHBondContact O-N 2.92Å; Q3771-L3774 PolarHBondContact O-N 3.37Å; E3772-L3774 PolarHBondContact O-N 3.15Å; L3774-L3777 PolarHBondContact O-N 2.74Å; L3774-R3778 WeakPolarHBondContact O-CB 3.34Å; L3774-R3778 PolarHBondContact O-N 3.43Å |
| 3775 | E | 96.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 27.6 Ų | 27.6 | 24% | 0.238 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.3 | -36.9 | 179.2 | -173.7 | 54.2 | -150.2 | 0 | 0 | 112.4 | Y3666 Q3771 E3772 R3778 Q3779 | Y3666-E3775 HydrophobicContact CE1-CB 4.46Å; Y3666-E3775 WeakPolarHBondContact CE1-OE2 3.34Å; Y3666-E3775 PolarHBondContact OH-OE2 3.49Å; Q3771-E3775 WeakPolarHBondContact O-CB 3.19Å; Q3771-E3775 PolarHBondContact O-N 2.98Å; E3772-E3775 PolarHBondContact O-N 2.77Å; E3775-R3778 PolarHBondContact O-N 2.74Å; E3775-R3778 WeakPolarHBondContact OE2-CD 3.39Å; E3775-Q3779 WeakPolarHBondContact O-CB 3.04Å; E3775-Q3779 VanDerWaalsContact O-CG 3.3Å; E3775-Q3779 WeakPolarHBondContact O-CG 3.43Å; E3775-Q3779 PolarHBondContact O-N 3.5Å; E3775-Q3779 WeakPolarHBondContact OE1-CG 3.32Å; E3775-Q3779 PolarHBondContact OE1-NE2 3.23Å |
| 3776 | Q | 97.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 27 Ų | 27 | 19% | 0.192 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 172.8 | -68.4 | -47.6 | -50.8 | 0 | 0 | 112.4 | Y3635 R3639 E3772 P3773 Q3779 G3780 | Y3635-Q3776 HydrophobicContact CG-CG 4.47Å; R3639-Q3776 WeakPolarHBondContact CA-O 3.31Å; R3639-Q3776 HydrophobicContact CB-CB 4.19Å; E3772-Q3776 WeakPolarHBondContact O-CG 3.18Å; E3772-Q3776 PolarHBondContact O-N 3.02Å; P3773-Q3776 PolarHBondContact O-N 3.38Å; Q3776-Q3779 PolarHBondContact O-N 2.92Å; Q3776-G3780 PolarHBondContact O-N 2.82Å |
| 3777 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 172.8 | -78.2 | 164.1 | 0 | 0 | 0 | 111 | F3601 P3612 Y3638 I3641 G3642 I3645 P3773 L3774 G3780 V3781 | F3601-L3777 HydrophobicContact CE1-CD1 4.29Å; F3601-L3777 HydrophobicContact CZ-CD1 4.37Å; F3601-L3777 HydrophobicContact CZ-CD2 4.5Å; P3612-L3777 HydrophobicContact CG-CD1 4.28Å; Y3638-L3777 HydrophobicContact CD1-CD1 4.09Å; Y3638-L3777 HydrophobicContact CD1-CD2 4.4Å; Y3638-L3777 HydrophobicContact CD1-CG 4.08Å; Y3638-L3777 WeakPolarHBondContact O-CD2 3.49Å; I3641-L3777 HydrophobicContact CB-CD2 3.99Å; I3641-L3777 HydrophobicContact CG2-CD2 3.72Å; G3642-L3777 WeakPolarHBondContact CA-O 3.21Å; I3645-L3777 HydrophobicContact CD1-CD2 4.38Å; P3773-L3777 WeakPolarHBondContact O-CG 3.28Å; P3773-L3777 PolarHBondContact O-N 2.68Å; L3774-L3777 PolarHBondContact O-N 2.74Å; L3777-G3780 PolarHBondContact O-N 3.21Å; L3777-V3781 PolarHBondContact O-N 3.38Å; L3777-V3781 VanDerWaalsContact O-N 3.13Å |
| 3778 | R | 96.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 35.2 Ų | 35.2 | 20% | 0.2 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 176.7 | 179.5 | 178.7 | 171.5 | 70.8 | 3.7 | 112 | Y3666 I3667 G3669 L3774 E3775 G3780 V3781 F3782 | Y3666-R3778 HydrophobicContact CD1-CB 4.12Å; Y3666-R3778 HydrophobicContact CE1-CB 3.99Å; Y3666-R3778 VanDerWaalsContact CE1-CD 3.45Å; Y3666-R3778 HydrophobicContact CE1-CG 4.36Å; Y3666-R3778 PolarHBondContact O-NH1 3.4Å; I3667-R3778 PolarHBondContact O-NH1 3.01Å; G3669-R3778 VanDerWaalsContact CA-NH1 3.25Å; L3774-R3778 WeakPolarHBondContact O-CB 3.34Å; L3774-R3778 PolarHBondContact O-N 3.43Å; E3775-R3778 PolarHBondContact O-N 2.74Å; E3775-R3778 WeakPolarHBondContact OE2-CD 3.39Å; R3778-G3780 VanDerWaalsContact C-N 3.33Å; R3778-G3780 PolarHBondContact O-N 3.36Å; R3778-V3781 PolarHBondContact O-N 3.48Å; R3778-F3782 HydrophobicContact CG-CD2 4.08Å; R3778-F3782 HydrophobicContact CG-CE2 3.97Å; R3778-F3782 WeakPolarHBondContact O-CD2 3.47Å; R3778-F3782 PolarHBondContact O-N 3.4Å |
| 3779 | Q | 95.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 32.5 Ų | 32.5 | 28% | 0.276 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.1 | -35 | 177.6 | -72.2 | -177.3 | 28.5 | 0 | 0 | 112.5 | E3775 Q3776 V3781 F3782 D3783 | E3775-Q3779 WeakPolarHBondContact O-CB 3.04Å; E3775-Q3779 VanDerWaalsContact O-CG 3.3Å; E3775-Q3779 WeakPolarHBondContact O-CG 3.43Å; E3775-Q3779 PolarHBondContact O-N 3.5Å; E3775-Q3779 WeakPolarHBondContact OE1-CG 3.32Å; E3775-Q3779 PolarHBondContact OE1-NE2 3.23Å; Q3776-Q3779 PolarHBondContact O-N 2.92Å; Q3779-V3781 PolarHBondContact O-N 3.31Å; Q3779-F3782 CarbonylContact O-C 3.51Å; Q3779-F3782 PolarHBondContact O-N 3.38Å; Q3779-D3783 PolarHBondContact O-N 2.93Å |
| 3780 | G | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | R3639 G3642 R3643 Q3776 L3777 R3778 D3783 | R3639-G3780 VanDerWaalsContact O-CA 3.31Å; R3639-G3780 WeakPolarHBondContact O-CA 3.44Å; G3642-G3780 CarbonylContact C-O 3.46Å; G3642-G3780 CarbonylContact O-C 3.42Å; R3643-G3780 WeakPolarHBondContact CA-O 3.37Å; R3643-G3780 VanDerWaalsContact CG-O 3.26Å; R3643-G3780 WeakPolarHBondContact CG-O 3.38Å; R3643-G3780 PolarHBondContact N-O 2.9Å; Q3776-G3780 PolarHBondContact O-N 2.82Å; L3777-G3780 PolarHBondContact O-N 3.21Å; R3778-G3780 VanDerWaalsContact C-N 3.33Å; R3778-G3780 PolarHBondContact O-N 3.36Å; G3780-D3783 PolarHBondContact O-N 3.07Å |
| 3781 | V | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | G3642 I3645 I3667 L3777 R3778 Q3779 D3783 V3784 L3785 L3790 | G3642-V3781 WeakPolarHBondContact O-CA 3.37Å; G3642-V3781 WeakPolarHBondContact O-CG2 3.36Å; G3642-V3781 PolarHBondContact O-N 3.36Å; I3645-V3781 HydrophobicContact CB-CG2 4.11Å; I3645-V3781 HydrophobicContact CG2-CG2 3.89Å; I3667-V3781 HydrophobicContact CG2-CB 4.45Å; I3667-V3781 HydrophobicContact CG2-CG1 4.41Å; I3667-V3781 HydrophobicContact CG2-CG2 4.1Å; L3777-V3781 PolarHBondContact O-N 3.38Å; L3777-V3781 VanDerWaalsContact O-N 3.13Å; R3778-V3781 PolarHBondContact O-N 3.48Å; Q3779-V3781 PolarHBondContact O-N 3.31Å; V3781-D3783 VanDerWaalsContact C-N 3.33Å; V3781-D3783 PolarHBondContact O-N 3.11Å; V3781-V3784 PolarHBondContact O-N 3.02Å; V3781-V3784 VanDerWaalsContact O-N 3.13Å; V3781-L3785 HydrophobicContact CG1-CD1 4.13Å; V3781-L3785 PolarHBondContact O-N 3.48Å; V3781-L3790 HydrophobicContact CG1-CD1 4.26Å |
| 3782 | F | 95.5 | Very high | 93.7 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.9 | -7.1 | 179.9 | -63.8 | -59.8 | 0 | 0 | 0 | 115.1 | R3778 Q3779 L3785 R3787 L3790 | R3778-F3782 HydrophobicContact CG-CD2 4.08Å; R3778-F3782 HydrophobicContact CG-CE2 3.97Å; R3778-F3782 WeakPolarHBondContact O-CD2 3.47Å; R3778-F3782 PolarHBondContact O-N 3.4Å; Q3779-F3782 CarbonylContact O-C 3.51Å; Q3779-F3782 PolarHBondContact O-N 3.38Å; F3782-L3785 CarbonylContact C-O 3.23Å; F3782-L3785 WeakPolarHBondContact CA-O 2.98Å; F3782-R3787 HydrophobicContact CD1-CB 4.47Å; F3782-R3787 HydrophobicContact CD1-CG 4.17Å; F3782-R3787 HydrophobicContact CG-CG 4.36Å; F3782-L3790 HydrophobicContact CE1-CD1 4.1Å; F3782-L3790 HydrophobicContact CE1-CG 4.47Å; F3782-L3790 HydrophobicContact CZ-CD1 3.97Å |
| 3783 | D | 94.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.8 | 162.6 | -79.8 | -14.2 | 0 | 0 | 0 | 111.3 | Y3086 I3179 L3180 R3639 R3643 Q3779 G3780 V3781 | Y3086-D3783 HydrophobicContact CD2-CB 4.11Å; Y3086-D3783 HydrophobicContact CE2-CB 3.61Å; Y3086-D3783 WeakPolarHBondContact CE2-OD1 3.19Å; Y3086-D3783 VanDerWaalsContact CZ-CG 3.48Å; Y3086-D3783 PolarHBondContact OH-OD1 3.13Å; I3179-D3783 CarbonylContact C-O 3.59Å; I3179-D3783 VanDerWaalsContact CA-O 3.29Å; I3179-D3783 WeakPolarHBondContact CA-O 3.44Å; L3180-D3783 PolarHBondContact N-O 3.09Å; R3639-D3783 IonicContact CZ-OD1 3.48Å; R3639-D3783 IonicContact CZ-OD2 2.73Å; R3639-D3783 IonicContact NE-OD1 2.75Å; R3639-D3783 IonicContact NE-OD2 3.93Å; R3639-D3783 PolarHBondContact NE-OD2 3.49Å; R3639-D3783 IonicContact NH2-OD1 3.09Å; R3639-D3783 PolarHBondContact NH2-OD1 3.26Å; R3639-D3783 IonicContact NH2-OD2 3.55Å; R3639-D3783 PolarHBondContact NH2-OD2 3.09Å; R3643-D3783 HydrophobicContact CG-CB 4.01Å; R3643-D3783 IonicContact CZ-OD2 3.86Å; R3643-D3783 IonicContact NE-OD2 2.74Å; R3643-D3783 PolarHBondContact NE-OD2 3.04Å; R3643-D3783 IonicContact NH2-OD2 3.79Å; R3643-D3783 PolarHBondContact NH2-OD2 2.92Å; Q3779-D3783 PolarHBondContact O-N 2.93Å; G3780-D3783 PolarHBondContact O-N 3.07Å; V3781-D3783 VanDerWaalsContact C-N 3.33Å; V3781-D3783 PolarHBondContact O-N 3.11Å |
| 3784 | V | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -42.5 | -178 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | L3180 R3643 L3647 L3650 V3781 | L3180-V3784 HydrophobicContact CB-CB 4.3Å; L3180-V3784 HydrophobicContact CB-CG1 4.36Å; L3180-V3784 HydrophobicContact CB-CG2 3.88Å; L3180-V3784 HydrophobicContact CD1-CG2 4.26Å; R3643-V3784 HydrophobicContact CB-CG2 3.93Å; R3643-V3784 HydrophobicContact CG-CG2 4.03Å; L3647-V3784 HydrophobicContact CD2-CG1 3.91Å; L3647-V3784 HydrophobicContact CG-CG1 4.08Å; L3647-V3784 HydrophobicContact CG-CG2 4.19Å; L3650-V3784 HydrophobicContact CD2-CG1 4.1Å; V3781-V3784 PolarHBondContact O-N 3.02Å; V3781-V3784 VanDerWaalsContact O-N 3.13Å |
| 3785 | L | 93.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -105.6 | 142.4 | -175.7 | -60.4 | -178.1 | 0 | 0 | 0 | 111.6 | M3052 L3055 L3649 L3650 V3781 F3782 A3789 L3790 | M3052-L3785 HydrophobicContact SD-CD2 3.66Å; L3055-L3785 HydrophobicContact CD2-CD2 4.18Å; L3649-L3785 HydrophobicContact CB-CD1 4.21Å; L3649-L3785 HydrophobicContact CD1-CD1 4.2Å; L3650-L3785 HydrophobicContact CB-CD2 4.01Å; L3650-L3785 HydrophobicContact CD1-CD2 4.45Å; V3781-L3785 HydrophobicContact CG1-CD1 4.13Å; V3781-L3785 PolarHBondContact O-N 3.48Å; F3782-L3785 CarbonylContact C-O 3.23Å; F3782-L3785 WeakPolarHBondContact CA-O 2.98Å; L3785-A3789 HydrophobicContact CB-CB 3.89Å; L3785-A3789 HydrophobicContact CD1-CB 4.34Å; L3785-L3790 HydrophobicContact CD1-CD2 4.26Å |
| 3786 | P | 92.5 | Very high | 93.2 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.104 | 15% | 0.152 | C | C | . | . | trans | -64.5 | 150.6 | 170.6 | 30 | -35.2 | 0 | 0 | 0 | 110.4 | L3055 N3788 A3789 | L3055-P3786 VanDerWaalsContact CD2-CD 3.46Å; L3055-P3786 HydrophobicContact CD2-CG 4.15Å; P3786-N3788 PolarHBondContact O-N 3.45Å; P3786-N3788 VanDerWaalsContact O-N 3.08Å; P3786-A3789 HydrophobicContact CG-CB 4.19Å; P3786-A3789 WeakPolarHBondContact O-CB 3.5Å; P3786-A3789 PolarHBondContact O-N 2.85Å | ||
| 3787 | R | 87.9 | Confident | 93.1 | Very high | 171 Ų | 171 | 28.6 Ų | 28.6 | 65% | 0.645 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -56.3 | -32 | -172.1 | -70.7 | -175.6 | 177.9 | -123.5 | -3.2 | 114.4 | F3782 A3789 | F3782-R3787 HydrophobicContact CD1-CB 4.47Å; F3782-R3787 HydrophobicContact CD1-CG 4.17Å; F3782-R3787 HydrophobicContact CG-CG 4.36Å; R3787-A3789 VanDerWaalsContact C-N 3.31Å; R3787-A3789 PolarHBondContact O-N 3.37Å |
| 3788 | N | 90.2 | Very high | 93 | Very high | 81 Ų | 81 | 28.8 Ų | 28.8 | 43% | 0.433 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -87.5 | 16 | 177.1 | 66.7 | -32.5 | 0 | 0 | 0 | 114.6 | Q3051 P3786 D3791 | Q3051-N3788 PolarHBondContact NE2-O 3.05Å; Q3051-N3788 VanDerWaalsContact NE2-O 3.17Å; P3786-N3788 PolarHBondContact O-N 3.45Å; P3786-N3788 VanDerWaalsContact O-N 3.08Å; N3788-D3791 VanDerWaalsContact CA-OD2 3.31Å; N3788-D3791 WeakPolarHBondContact CA-OD2 3.33Å; N3788-D3791 WeakPolarHBondContact CB-OD2 3.49Å |
| 3789 | A | 91.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -71 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F3048 M3052 L3785 P3786 R3787 | F3048-A3789 WeakPolarHBondContact CD2-O 3.45Å; F3048-A3789 VanDerWaalsContact CE2-O 3.32Å; F3048-A3789 WeakPolarHBondContact CE2-O 3Å; M3052-A3789 HydrophobicContact CE-CB 3.81Å; L3785-A3789 HydrophobicContact CB-CB 3.89Å; L3785-A3789 HydrophobicContact CD1-CB 4.34Å; P3786-A3789 HydrophobicContact CG-CB 4.19Å; P3786-A3789 WeakPolarHBondContact O-CB 3.5Å; P3786-A3789 PolarHBondContact O-N 2.85Å; R3787-A3789 VanDerWaalsContact C-N 3.31Å; R3787-A3789 PolarHBondContact O-N 3.37Å |
| 3790 | L | 92.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -102.3 | 1.2 | -171.4 | -53.1 | 178.5 | 0 | 0 | 0 | 113.2 | F3048 L3649 I3667 L3668 V3781 F3782 L3785 G3792 L3793 | F3048-L3790 HydrophobicContact CE2-CD2 3.95Å; F3048-L3790 HydrophobicContact CZ-CD2 4.33Å; L3649-L3790 HydrophobicContact CD1-CD2 4.46Å; I3667-L3790 HydrophobicContact CG2-CD1 4.27Å; L3668-L3790 HydrophobicContact CD2-CB 3.73Å; L3668-L3790 HydrophobicContact CD2-CD1 4.19Å; L3668-L3790 HydrophobicContact CD2-CG 4.49Å; V3781-L3790 HydrophobicContact CG1-CD1 4.26Å; F3782-L3790 HydrophobicContact CE1-CD1 4.1Å; F3782-L3790 HydrophobicContact CE1-CG 4.47Å; F3782-L3790 HydrophobicContact CZ-CD1 3.97Å; L3785-L3790 HydrophobicContact CD1-CD2 4.26Å; L3790-G3792 PolarHBondContact O-N 3.35Å; L3790-L3793 HydrophobicContact CB-CD1 4.44Å; L3790-L3793 HydrophobicContact CD2-CD1 4.08Å; L3790-L3793 WeakPolarHBondContact O-CB 3.32Å; L3790-L3793 WeakPolarHBondContact O-CG 3.44Å; L3790-L3793 PolarHBondContact O-N 3.15Å; L3790-L3793 VanDerWaalsContact O-N 3.11Å |
| 3791 | D | 89 | Confident | 92.8 | Very high | 90 Ų | 90 | 25.8 Ų | 25.8 | 48% | 0.481 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 126.6 | -177.2 | -63.1 | -4.5 | 0 | 0 | 0 | 111.4 | R3047 N3788 | R3047-D3791 PolarHBondContact NH1-O 3.38Å; N3788-D3791 VanDerWaalsContact CA-OD2 3.31Å; N3788-D3791 WeakPolarHBondContact CA-OD2 3.33Å; N3788-D3791 WeakPolarHBondContact CB-OD2 3.49Å |
| 3792 | G | 85.3 | Confident | 92.7 | Very high | 48 Ų | 48 | 25.9 Ų | 25.9 | 50% | 0.495 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -14.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | K3044 L3790 | K3044-G3792 WeakPolarHBondContact CE-O 3.45Å; K3044-G3792 PolarHBondContact NZ-O 3.2Å; L3790-G3792 PolarHBondContact O-N 3.35Å |
| 3793 | L | 91.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -77.3 | 138.4 | 175.5 | -56.7 | -179.5 | 0 | 0 | 0 | 111.3 | K3044 F3048 L3668 R3670 L3790 D3797 L3801 | K3044-L3793 HydrophobicContact CB-CD2 4.25Å; F3048-L3793 HydrophobicContact CD2-CD1 3.88Å; F3048-L3793 HydrophobicContact CE2-CD1 4.05Å; F3048-L3793 HydrophobicContact CG-CD1 4.36Å; L3668-L3793 HydrophobicContact CD2-CB 4.15Å; R3670-L3793 PolarHBondContact NE-O 3.39Å; R3670-L3793 VanDerWaalsContact NE-O 3.08Å; R3670-L3793 PolarHBondContact NH2-O 3.27Å; L3790-L3793 HydrophobicContact CB-CD1 4.44Å; L3790-L3793 HydrophobicContact CD2-CD1 4.08Å; L3790-L3793 WeakPolarHBondContact O-CB 3.32Å; L3790-L3793 WeakPolarHBondContact O-CG 3.44Å; L3790-L3793 PolarHBondContact O-N 3.15Å; L3790-L3793 VanDerWaalsContact O-N 3.11Å; L3793-D3797 HydrophobicContact CB-CB 4.14Å; L3793-D3797 HydrophobicContact CD2-CB 4.05Å; L3793-L3801 HydrophobicContact CD1-CD1 3.72Å; L3793-L3801 HydrophobicContact CD2-CD1 3.9Å; L3793-L3801 HydrophobicContact CG-CD1 4.47Å | ||
| 3794 | T | 92.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | trans | -89.7 | 175.9 | 165.3 | 73.4 | 0 | 0 | 0 | 0 | 111.1 | L3668 E3796 D3797 L3798 | L3668-T3794 WeakPolarHBondContact CD1-O 3.34Å; T3794-E3796 WeakPolarHBondContact CB-OE2 3.35Å; T3794-E3796 PolarHBondContact O-N 2.88Å; T3794-E3796 PolarHBondContact OG1-N 3.29Å; T3794-E3796 PolarHBondContact OG1-OE2 2.9Å; T3794-D3797 PolarHBondContact N-OD2 3.27Å; T3794-D3797 PolarHBondContact O-N 2.75Å; T3794-D3797 PolarHBondContact OG1-N 3.5Å; T3794-D3797 PolarHBondContact OG1-OD2 3.18Å; T3794-L3798 WeakPolarHBondContact O-CB 3.43Å; T3794-L3798 PolarHBondContact O-N 2.69Å | ||
| 3795 | A | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.4 | -32.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R3661 L3664 K3665 R3799 | R3661-A3795 HydrophobicContact CG-CB 3.82Å; L3664-A3795 HydrophobicContact CB-CB 3.86Å; K3665-A3795 HydrophobicContact CG-CB 4.42Å; A3795-R3799 WeakPolarHBondContact O-CB 3.44Å; A3795-R3799 PolarHBondContact O-N 2.72Å |
| 3796 | E | 94.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.8 | -47 | 176.6 | -56.4 | 68.3 | -142.8 | 0 | 0 | 110.6 | L2910 L2917 F2927 R3661 T3794 L3798 R3799 L3800 | L2910-E3796 HydrophobicContact CD2-CG 4.2Å; L2917-E3796 HydrophobicContact CD1-CB 3.89Å; L2917-E3796 HydrophobicContact CD1-CG 4.42Å; L2917-E3796 HydrophobicContact CD2-CB 4.44Å; F2927-E3796 HydrophobicContact CZ-CG 4.03Å; R3661-E3796 IonicContact CZ-OE1 2.73Å; R3661-E3796 IonicContact NE-OE1 3.95Å; R3661-E3796 PolarHBondContact NE-OE1 3.16Å; R3661-E3796 IonicContact NH2-OE1 3.47Å; R3661-E3796 PolarHBondContact NH2-OE1 2.92Å; R3661-E3796 IonicContact NH2-OE2 2.71Å; T3794-E3796 WeakPolarHBondContact CB-OE2 3.35Å; T3794-E3796 PolarHBondContact O-N 2.88Å; T3794-E3796 PolarHBondContact OG1-N 3.29Å; T3794-E3796 PolarHBondContact OG1-OE2 2.9Å; E3796-L3798 VanDerWaalsContact C-N 3.28Å; E3796-L3798 PolarHBondContact O-N 3.03Å; E3796-R3799 PolarHBondContact O-N 3.4Å; E3796-L3800 PolarHBondContact O-N 3.18Å |
| 3797 | D | 94.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.4 | -58.3 | -41.5 | 0 | 0 | 0 | 110.4 | F3041 K3044 L3793 T3794 L3801 | F3041-D3797 HydrophobicContact CD2-CB 4.24Å; F3041-D3797 HydrophobicContact CE2-CB 4.48Å; K3044-D3797 WeakPolarHBondContact CD-OD2 3.5Å; K3044-D3797 WeakPolarHBondContact CE-OD2 3.33Å; K3044-D3797 IonicContact NZ-OD2 3.95Å; K3044-D3797 PolarHBondContact NZ-OD2 3.44Å; L3793-D3797 HydrophobicContact CB-CB 4.14Å; L3793-D3797 HydrophobicContact CD2-CB 4.05Å; T3794-D3797 PolarHBondContact N-OD2 3.27Å; T3794-D3797 PolarHBondContact O-N 2.75Å; T3794-D3797 PolarHBondContact OG1-N 3.5Å; T3794-D3797 PolarHBondContact OG1-OD2 3.18Å; D3797-L3801 WeakPolarHBondContact O-CB 3.42Å; D3797-L3801 WeakPolarHBondContact O-CD1 3.38Å; D3797-L3801 VanDerWaalsContact O-CG 3.25Å; D3797-L3801 WeakPolarHBondContact O-CG 3.46Å; D3797-L3801 PolarHBondContact O-N 3.42Å |
| 3798 | L | 95.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 178.3 | -178.4 | 60.3 | 0 | 0 | 0 | 112.5 | L3649 L3664 I3667 L3668 T3794 E3796 L3801 L3802 | L3649-L3798 HydrophobicContact CD1-CD1 4.01Å; L3649-L3798 HydrophobicContact CD2-CD1 4.34Å; L3664-L3798 HydrophobicContact CB-CD2 4.35Å; L3664-L3798 HydrophobicContact CD2-CD2 4.03Å; L3664-L3798 HydrophobicContact CD2-CG 4.32Å; I3667-L3798 HydrophobicContact CG2-CD2 4.32Å; L3668-L3798 HydrophobicContact CD1-CB 4.38Å; L3668-L3798 HydrophobicContact CD1-CD2 4.22Å; L3668-L3798 HydrophobicContact CD2-CD2 4.02Å; L3668-L3798 HydrophobicContact CG-CD2 3.86Å; T3794-L3798 WeakPolarHBondContact O-CB 3.43Å; T3794-L3798 PolarHBondContact O-N 2.69Å; E3796-L3798 VanDerWaalsContact C-N 3.28Å; E3796-L3798 PolarHBondContact O-N 3.03Å; L3798-L3801 PolarHBondContact O-N 3.09Å; L3798-L3802 WeakPolarHBondContact O-CB 3.45Å; L3798-L3802 PolarHBondContact O-N 2.77Å |
| 3799 | R | 95.2 | Very high | 91.4 | Very high | 22 Ų | 22 | 20.3 Ų | 20.3 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.4 | -171.7 | 179.4 | -77.1 | 173.8 | -6.8 | 111.3 | L2917 F3659 L3664 A3795 E3796 L3801 L3802 N3803 | L2917-R3799 HydrophobicContact CD2-CB 4.23Å; L2917-R3799 HydrophobicContact CD2-CG 4.26Å; F3659-R3799 PolarHBondContact O-NH2 3.3Å; L3664-R3799 HydrophobicContact CD1-CB 3.84Å; L3664-R3799 HydrophobicContact CD1-CG 4.36Å; A3795-R3799 WeakPolarHBondContact O-CB 3.44Å; A3795-R3799 PolarHBondContact O-N 2.72Å; E3796-R3799 PolarHBondContact O-N 3.4Å; R3799-L3801 VanDerWaalsContact C-N 3.32Å; R3799-L3801 PolarHBondContact O-N 3.41Å; R3799-L3802 PolarHBondContact O-N 2.87Å; R3799-N3803 VanDerWaalsContact O-CB 3.31Å; R3799-N3803 WeakPolarHBondContact O-CB 3.4Å; R3799-N3803 PolarHBondContact O-N 3.36Å; R3799-N3803 PolarHBondContact O-OD1 3.35Å |
| 3800 | L | 94.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -35.7 | 176.8 | -79.1 | 171.9 | 0 | 0 | 0 | 112.6 | L2917 F3041 E3796 G3804 T3805 A3875 | L2917-L3800 HydrophobicContact CD1-CD1 3.73Å; L2917-L3800 HydrophobicContact CD1-CG 4.05Å; L2917-L3800 HydrophobicContact CD2-CG 4.22Å; L2917-L3800 HydrophobicContact CG-CD1 4.1Å; L2917-L3800 HydrophobicContact CG-CD2 4.12Å; L2917-L3800 HydrophobicContact CG-CG 3.9Å; F3041-L3800 HydrophobicContact CD1-CD1 4.22Å; F3041-L3800 HydrophobicContact CD2-CB 4.18Å; F3041-L3800 HydrophobicContact CD2-CD1 3.84Å; F3041-L3800 HydrophobicContact CE1-CB 4.33Å; F3041-L3800 HydrophobicContact CE1-CD1 4.38Å; F3041-L3800 HydrophobicContact CE2-CB 3.49Å; F3041-L3800 VanDerWaalsContact CE2-CB 3.49Å; F3041-L3800 HydrophobicContact CE2-CD1 4Å; F3041-L3800 HydrophobicContact CE2-CG 4.42Å; F3041-L3800 HydrophobicContact CG-CD1 3.95Å; F3041-L3800 HydrophobicContact CZ-CB 3.58Å; F3041-L3800 HydrophobicContact CZ-CD1 4.27Å; E3796-L3800 PolarHBondContact O-N 3.18Å; L3800-G3804 WeakPolarHBondContact O-CA 3.3Å; L3800-G3804 PolarHBondContact O-N 3.43Å; L3800-G3804 VanDerWaalsContact O-N 3.11Å; L3800-T3805 HydrophobicContact CD2-CG2 3.96Å; L3800-A3875 HydrophobicContact CB-CB 4.16Å; L3800-A3875 HydrophobicContact CD2-CB 4.31Å |
| 3801 | L | 94.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.1 | -38.3 | 176.1 | -77.3 | 166.8 | 0 | 0 | 0 | 113.5 | F3041 E3045 F3048 L3649 L3793 D3797 L3798 R3799 | F3041-L3801 HydrophobicContact CE2-CG 4.11Å; F3041-L3801 HydrophobicContact CZ-CD2 4.37Å; F3041-L3801 HydrophobicContact CZ-CG 4.29Å; E3045-L3801 HydrophobicContact CB-CD2 4.45Å; E3045-L3801 HydrophobicContact CG-CD2 4.04Å; F3048-L3801 HydrophobicContact CD1-CD1 3.74Å; F3048-L3801 HydrophobicContact CD1-CD2 3.88Å; F3048-L3801 HydrophobicContact CD1-CG 4.41Å; F3048-L3801 HydrophobicContact CE1-CD1 4.11Å; F3048-L3801 HydrophobicContact CE1-CD2 4.37Å; F3048-L3801 HydrophobicContact CG-CD1 4.09Å; L3649-L3801 HydrophobicContact CD2-CB 4.12Å; L3793-L3801 HydrophobicContact CD1-CD1 3.72Å; L3793-L3801 HydrophobicContact CD2-CD1 3.9Å; L3793-L3801 HydrophobicContact CG-CD1 4.47Å; D3797-L3801 WeakPolarHBondContact O-CB 3.42Å; D3797-L3801 WeakPolarHBondContact O-CD1 3.38Å; D3797-L3801 VanDerWaalsContact O-CG 3.25Å; D3797-L3801 WeakPolarHBondContact O-CG 3.46Å; D3797-L3801 PolarHBondContact O-N 3.42Å; L3798-L3801 PolarHBondContact O-N 3.09Å; R3799-L3801 VanDerWaalsContact C-N 3.32Å; R3799-L3801 PolarHBondContact O-N 3.41Å |
| 3802 | L | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -82.2 | -48.8 | -178.1 | -178.9 | 63.1 | 0 | 0 | 0 | 112.1 | I3645 C3648 L3649 T3654 C3655 L3798 R3799 | I3645-L3802 HydrophobicContact CG1-CD2 4.49Å; I3645-L3802 HydrophobicContact CG2-CD1 4.03Å; I3645-L3802 HydrophobicContact CG2-CD2 4.12Å; C3648-L3802 HydrophobicContact CB-CD1 4.38Å; L3649-L3802 HydrophobicContact CD2-CB 4.48Å; T3654-L3802 CarbonylContact C-O 3.55Å; T3654-L3802 WeakPolarHBondContact CA-O 3.5Å; C3655-L3802 HydrophobicContact CB-CD1 3.94Å; C3655-L3802 PolarHBondContact N-O 2.99Å; L3798-L3802 WeakPolarHBondContact O-CB 3.45Å; L3798-L3802 PolarHBondContact O-N 2.77Å; R3799-L3802 PolarHBondContact O-N 2.87Å |
| 3803 | N | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -94.5 | -28.9 | -169.6 | -60.3 | 62.3 | 0 | 0 | 0 | 112.6 | L3657 H3658 R3799 T3872 | L3657-N3803 PolarHBondContact O-ND2 3.48Å; L3657-N3803 PolarHBondContact O-OD1 3.36Å; H3658-N3803 WeakPolarHBondContact CA-ND2 3.48Å; H3658-N3803 PolarHBondContact CD2-ND2 3.31Å; H3658-N3803 VanDerWaalsContact CG-ND2 3.33Å; H3658-N3803 PolarHBondContact N-ND2 3.34Å; H3658-N3803 PolarHBondContact NE2-ND2 3.18Å; R3799-N3803 VanDerWaalsContact O-CB 3.31Å; R3799-N3803 WeakPolarHBondContact O-CB 3.4Å; R3799-N3803 PolarHBondContact O-N 3.36Å; R3799-N3803 PolarHBondContact O-OD1 3.35Å; N3803-T3872 WeakPolarHBondContact O-CB 3.4Å; N3803-T3872 WeakPolarHBondContact O-CG2 3.46Å; N3803-T3872 PolarHBondContact O-OG1 3.2Å |
| 3804 | G | 91.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 22 Ų | 22 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | trans | 71.3 | -158.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3800 L3873 | L3800-G3804 WeakPolarHBondContact O-CA 3.3Å; L3800-G3804 PolarHBondContact O-N 3.43Å; L3800-G3804 VanDerWaalsContact O-N 3.11Å; G3804-L3873 CarbonylContact C-O 3.44Å; G3804-L3873 WeakPolarHBondContact CA-O 3.37Å | ||
| 3805 | T | 90.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 8% | 0.08 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -100.9 | 125 | 172 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | P2919 L3800 L3873 | P2919-T3805 HydrophobicContact CG-CG2 4.04Å; L3800-T3805 HydrophobicContact CD2-CG2 3.96Å; T3805-L3873 PolarHBondContact N-O 3.07Å; T3805-L3873 PolarHBondContact O-N 3.16Å |
| 3806 | G | 78.7 | Confident | 91.7 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 24% | 0.237 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -75.7 | -28.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I3808 Q3861 | G3806-I3808 PolarHBondContact O-N 2.94Å; G3806-Q3861 PolarHBondContact O-NE2 2.83Å |
| 3807 | D | 86.4 | Confident | 91.6 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -79 | 117 | 173.7 | -62.4 | -60.8 | 0 | 0 | 0 | 110.4 | Q2915 D3809 M3857 | Q2915-D3807 WeakPolarHBondContact CB-OD2 3.31Å; D3807-D3809 PolarHBondContact O-N 3.19Å; D3807-M3857 HydrophobicContact CB-CE 3.97Å; D3807-M3857 WeakPolarHBondContact OD1-CE 3.28Å |
| 3808 | I | 90 | Very high | 91.6 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | trans | -93.5 | 94.5 | -175.4 | -60.8 | 175.2 | 0 | 0 | 0 | 109.5 | G3806 V3810 L3813 M3857 R3860 Q3861 L3864 L3873 | G3806-I3808 PolarHBondContact O-N 2.94Å; I3808-V3810 PolarHBondContact O-N 3.29Å; I3808-L3813 HydrophobicContact CG2-CD2 4.16Å; I3808-M3857 HydrophobicContact CB-SD 4.17Å; I3808-M3857 PolarHBondContact N-SD 2.97Å; I3808-R3860 HydrophobicContact CB-CB 3.99Å; I3808-R3860 VanDerWaalsContact CD1-C 3.46Å; I3808-R3860 HydrophobicContact CD1-CB 3.87Å; I3808-R3860 WeakPolarHBondContact CD1-O 3.33Å; I3808-R3860 HydrophobicContact CG1-CB 4.48Å; I3808-R3860 HydrophobicContact CG2-CB 4.11Å; I3808-R3860 PolarHBondContact O-NH1 3.27Å; I3808-R3860 VanDerWaalsContact O-NH1 3.12Å; I3808-Q3861 HydrophobicContact CD1-CB 4.25Å; I3808-Q3861 HydrophobicContact CD1-CG 3.67Å; I3808-Q3861 HydrophobicContact CG1-CG 4.44Å; I3808-L3864 HydrophobicContact CD1-CB 3.96Å; I3808-L3864 HydrophobicContact CD1-CD2 3.7Å; I3808-L3864 HydrophobicContact CD1-CG 4.49Å; I3808-L3864 HydrophobicContact CG1-CD2 4.25Å; I3808-L3873 HydrophobicContact CB-CD1 4.42Å; I3808-L3873 HydrophobicContact CG1-CD1 4.45Å; I3808-L3873 HydrophobicContact CG1-CG 4.28Å; I3808-L3873 HydrophobicContact CG2-CD1 4.1Å; I3808-L3873 HydrophobicContact CG2-CG 4.44Å | ||
| 3809 | D | 90.4 | Very high | 91.5 | Very high | 81 Ų | 81 | 31.3 Ų | 31.3 | 43% | 0.433 | 19% | 0.189 | S | C | . | . | trans | -68.5 | 119 | 164.1 | -175.7 | -1.6 | 0 | 0 | 0 | 110 | D3807 D3811 V3812 L3813 | D3807-D3809 PolarHBondContact O-N 3.19Å; D3809-D3811 VanDerWaalsContact C-N 3.32Å; D3809-D3811 PolarHBondContact OD1-N 2.9Å; D3809-V3812 HydrophobicContact CB-CB 4.12Å; D3809-V3812 HydrophobicContact CB-CG2 4.17Å; D3809-V3812 WeakPolarHBondContact OD2-CG2 3.04Å; D3809-L3813 WeakPolarHBondContact O-CB 3.31Å; D3809-L3813 PolarHBondContact O-N 2.92Å | ||
| 3810 | V | 92.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.5 | -26.5 | -178 | -172 | 0 | 0 | 0 | 0 | 111.4 | I3808 S3814 W3849 V3852 R3853 | I3808-V3810 PolarHBondContact O-N 3.29Å; V3810-S3814 WeakPolarHBondContact O-CB 3.39Å; V3810-S3814 PolarHBondContact O-N 3.43Å; V3810-W3849 HydrophobicContact CG1-CE3 3.6Å; V3810-W3849 HydrophobicContact CG1-CZ3 3.98Å; V3810-V3852 HydrophobicContact CG1-CB 4.2Å; V3810-V3852 HydrophobicContact CG1-CG1 3.76Å; V3810-V3852 HydrophobicContact CG2-CG1 3.96Å; V3810-R3853 HydrophobicContact CB-CG 3.91Å; V3810-R3853 HydrophobicContact CG1-CG 3.72Å; V3810-R3853 HydrophobicContact CG2-CG 4.14Å |
| 3811 | D | 92.9 | Very high | 91 | Very high | 93 Ų | 93 | 35 Ų | 35 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78.4 | -38.2 | 179.7 | -70 | 1.7 | 0 | 0 | 0 | 110.6 | D3809 S3814 G3815 R3853 | D3809-D3811 VanDerWaalsContact C-N 3.32Å; D3809-D3811 PolarHBondContact OD1-N 2.9Å; D3811-S3814 PolarHBondContact O-N 2.73Å; D3811-G3815 PolarHBondContact O-N 2.95Å; D3811-R3853 IonicContact OD1-CZ 3.23Å; D3811-R3853 VanDerWaalsContact OD1-CZ 3.23Å; D3811-R3853 IonicContact OD1-NE 2.98Å; D3811-R3853 PolarHBondContact OD1-NE 3.26Å; D3811-R3853 IonicContact OD1-NH2 2.96Å; D3811-R3853 PolarHBondContact OD1-NH2 2.86Å |
| 3812 | V | 90.5 | Very high | 90.7 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 169.5 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | D3809 S3814 G3815 Y3816 | D3809-V3812 HydrophobicContact CB-CB 4.12Å; D3809-V3812 HydrophobicContact CB-CG2 4.17Å; D3809-V3812 WeakPolarHBondContact OD2-CG2 3.04Å; V3812-S3814 VanDerWaalsContact C-N 3.3Å; V3812-S3814 PolarHBondContact O-N 3.4Å; V3812-G3815 WeakPolarHBondContact O-CA 3.27Å; V3812-G3815 PolarHBondContact O-N 3.38Å; V3812-Y3816 HydrophobicContact CG1-CD2 4.02Å; V3812-Y3816 HydrophobicContact CG1-CE2 3.37Å; V3812-Y3816 PolarHBondContact O-N 3.16Å; V3812-Y3816 VanDerWaalsContact O-N 3.13Å |
| 3813 | L | 91.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.8 | 176 | 57.2 | 0 | 0 | 0 | 111.7 | I3808 D3809 G3815 Y3816 T3817 W3849 L3864 W3867 L3873 | I3808-L3813 HydrophobicContact CG2-CD2 4.16Å; D3809-L3813 WeakPolarHBondContact O-CB 3.31Å; D3809-L3813 PolarHBondContact O-N 2.92Å; L3813-G3815 VanDerWaalsContact C-N 3.32Å; L3813-G3815 PolarHBondContact O-N 2.88Å; L3813-Y3816 PolarHBondContact O-N 2.77Å; L3813-T3817 WeakPolarHBondContact O-CB 3.04Å; L3813-T3817 PolarHBondContact O-N 3.31Å; L3813-T3817 VanDerWaalsContact O-N 3.15Å; L3813-T3817 PolarHBondContact O-OG1 3.33Å; L3813-W3849 HydrophobicContact CD2-CZ3 4.47Å; L3813-W3849 HydrophobicContact CG-CH2 4.21Å; L3813-W3849 HydrophobicContact CG-CZ3 4.26Å; L3813-L3864 HydrophobicContact CD1-CD1 4.48Å; L3813-W3867 HydrophobicContact CD1-CH2 4.46Å; L3813-W3867 HydrophobicContact CD1-CZ3 4.19Å; L3813-W3867 HydrophobicContact CD2-CZ3 4.25Å; L3813-W3867 HydrophobicContact CG-CZ3 4.41Å; L3813-L3873 HydrophobicContact CB-CD2 4.42Å; L3813-L3873 HydrophobicContact CD1-CD2 4.02Å |
| 3814 | S | 92.9 | Very high | 88.3 | Confident | 36 Ų | 36 | 42.2 Ų | 42.2 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 173.7 | -176 | 0 | 0 | 0 | 0 | 112.7 | V3810 D3811 V3812 Y3816 T3817 | V3810-S3814 WeakPolarHBondContact O-CB 3.39Å; V3810-S3814 PolarHBondContact O-N 3.43Å; D3811-S3814 PolarHBondContact O-N 2.73Å; V3812-S3814 VanDerWaalsContact C-N 3.3Å; V3812-S3814 PolarHBondContact O-N 3.4Å; S3814-Y3816 VanDerWaalsContact C-N 3.29Å; S3814-Y3816 PolarHBondContact O-N 3.48Å; S3814-T3817 PolarHBondContact O-N 3.12Å |
| 3815 | G | 91.7 | Very high | 86.4 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.3 | -25.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D3811 V3812 L3813 | D3811-G3815 PolarHBondContact O-N 2.95Å; V3812-G3815 WeakPolarHBondContact O-CA 3.27Å; V3812-G3815 PolarHBondContact O-N 3.38Å; L3813-G3815 VanDerWaalsContact C-N 3.32Å; L3813-G3815 PolarHBondContact O-N 2.88Å |
| 3816 | Y | 90.1 | Very high | 84.2 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -93.3 | -7 | 175.2 | -56.9 | -26.9 | 0 | 0 | 0 | 113.8 | V3812 L3813 S3814 A3877 F3880 M3883 P3884 | V3812-Y3816 HydrophobicContact CG1-CD2 4.02Å; V3812-Y3816 HydrophobicContact CG1-CE2 3.37Å; V3812-Y3816 PolarHBondContact O-N 3.16Å; V3812-Y3816 VanDerWaalsContact O-N 3.13Å; L3813-Y3816 PolarHBondContact O-N 2.77Å; S3814-Y3816 VanDerWaalsContact C-N 3.29Å; S3814-Y3816 PolarHBondContact O-N 3.48Å; Y3816-A3877 HydrophobicContact CD1-CB 3.89Å; Y3816-A3877 HydrophobicContact CE1-CB 3.52Å; Y3816-A3877 PolarHBondContact OH-N 2.94Å; Y3816-F3880 HydrophobicContact CD2-CD2 4.19Å; Y3816-F3880 AromaticContact CD2-CE2 3.55Å; Y3816-F3880 HydrophobicContact CD2-CE2 3.55Å; Y3816-F3880 HydrophobicContact CD2-CZ 4.42Å; Y3816-F3880 HydrophobicContact CE2-CE2 4.1Å; Y3816-F3880 HydrophobicContact CG-CE2 4.33Å; Y3816-M3883 VanDerWaalsContact O-CG 3.3Å; Y3816-M3883 WeakPolarHBondContact O-CG 3.33Å; Y3816-P3884 WeakPolarHBondContact O-CG 3.26Å |
| 3817 | T | 93.8 | Very high | 82.4 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | trans | -94.8 | 128 | -172.8 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | L3813 S3814 F3819 W3849 W3867 I3886 | L3813-T3817 WeakPolarHBondContact O-CB 3.04Å; L3813-T3817 PolarHBondContact O-N 3.31Å; L3813-T3817 VanDerWaalsContact O-N 3.15Å; L3813-T3817 PolarHBondContact O-OG1 3.33Å; S3814-T3817 PolarHBondContact O-N 3.12Å; T3817-F3819 HydrophobicContact CG2-CD2 4.45Å; T3817-F3819 HydrophobicContact CG2-CE2 4.05Å; T3817-F3819 HydrophobicContact CG2-CZ 4.43Å; T3817-W3849 HydrophobicContact CG2-CH2 4.22Å; T3817-W3849 HydrophobicContact CG2-CZ2 3.79Å; T3817-W3867 HydrophobicContact CG2-CH2 3.71Å; T3817-W3867 HydrophobicContact CG2-CZ2 3.95Å; T3817-W3867 WeakPolarHBondContact OG1-CH2 3.45Å; T3817-I3886 HydrophobicContact CG2-CD1 3.88Å; T3817-I3886 HydrophobicContact CG2-CG1 3.84Å | ||
| 3818 | T | 93.8 | Very high | 80.3 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 149.7 | 170 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | P3884 S3885 I3886 | T3818-P3884 PolarHBondContact N-O 3.48Å; T3818-P3884 VanDerWaalsContact N-O 3.08Å; T3818-P3884 PolarHBondContact OG1-O 2.91Å; T3818-S3885 CarbonylContact O-C 3.4Å; T3818-S3885 WeakPolarHBondContact O-CA 3.29Å; T3818-S3885 WeakPolarHBondContact OG1-CB 3.46Å; T3818-I3886 PolarHBondContact O-N 3.01Å |
| 3819 | F | 93.2 | Very high | 78.2 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 26% | 0.263 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.1 | 174.7 | -75.7 | -91.2 | 0 | 0 | 0 | 111.3 | T3817 K3845 W3849 I3886 I3888 | T3817-F3819 HydrophobicContact CG2-CD2 4.45Å; T3817-F3819 HydrophobicContact CG2-CE2 4.05Å; T3817-F3819 HydrophobicContact CG2-CZ 4.43Å; F3819-K3845 HydrophobicContact CB-CD 4.48Å; F3819-K3845 HydrophobicContact CD1-CD 4.26Å; F3819-K3845 HydrophobicContact CD1-CG 3.75Å; F3819-K3845 HydrophobicContact CD2-CD 4.41Å; F3819-K3845 HydrophobicContact CD2-CG 4.43Å; F3819-K3845 HydrophobicContact CE1-CB 4.45Å; F3819-K3845 HydrophobicContact CE1-CG 3.75Å; F3819-K3845 HydrophobicContact CE2-CG 4.43Å; F3819-K3845 HydrophobicContact CG-CD 4.13Å; F3819-K3845 HydrophobicContact CG-CG 4.1Å; F3819-K3845 HydrophobicContact CZ-CB 4.44Å; F3819-K3845 HydrophobicContact CZ-CG 4.1Å; F3819-W3849 HydrophobicContact CE2-CZ2 4.13Å; F3819-W3849 AromaticContact CE2-NE1 3.51Å; F3819-W3849 AromaticContact CZ-CE2 3.99Å; F3819-W3849 HydrophobicContact CZ-CZ2 4.12Å; F3819-W3849 AromaticContact CZ-NE1 3.46Å; F3819-I3886 CarbonylContact C-O 3.59Å; F3819-I3886 WeakPolarHBondContact CA-O 3.42Å; F3819-I3886 HydrophobicContact CD1-CB 3.77Å; F3819-I3886 HydrophobicContact CD1-CG2 4Å; F3819-I3886 HydrophobicContact CE1-CB 3.75Å; F3819-I3886 HydrophobicContact CE1-CD1 3.74Å; F3819-I3886 HydrophobicContact CE1-CG1 4.24Å; F3819-I3886 HydrophobicContact CE1-CG2 3.83Å; F3819-I3886 HydrophobicContact CZ-CB 4.48Å; F3819-I3886 HydrophobicContact CZ-CD1 3.79Å; F3819-I3888 HydrophobicContact CD1-CD1 4.28Å |
| 3820 | V | 91.8 | Very high | 76.4 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.8 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | I3886 T3887 I3888 | V3820-I3886 PolarHBondContact N-O 2.89Å; V3820-T3887 WeakPolarHBondContact O-CA 3.35Å; V3820-I3888 PolarHBondContact O-N 3.18Å |
| 3821 | D | 87.7 | Confident | 74.8 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 117.3 | -177.8 | -173.3 | -3.3 | 0 | 0 | 0 | 109.5 | T3823 | D3821-T3823 VanDerWaalsContact OD1-CB 3.28Å; D3821-T3823 WeakPolarHBondContact OD1-CB 3.48Å; D3821-T3823 VanDerWaalsContact OD1-CG2 3.29Å; D3821-T3823 WeakPolarHBondContact OD1-CG2 3.27Å; D3821-T3823 PolarHBondContact OD1-N 3.02Å; D3821-T3823 PolarHBondContact OD1-OG1 3.49Å |
| 3822 | E | 86.5 | Confident | 73.1 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | trans | -112.6 | 15.7 | 177.2 | -68.8 | 174.9 | -172.4 | 0 | 0 | 111.2 | G3824 T3887 I3888 | E3822-G3824 PolarHBondContact O-N 3.39Å; E3822-T3887 HydrophobicContact CB-CG2 4.34Å; E3822-T3887 HydrophobicContact CG-CG2 3.8Å; E3822-T3887 VanDerWaalsContact OE1-CG2 3.29Å; E3822-T3887 WeakPolarHBondContact OE1-CG2 3.3Å; E3822-T3887 VanDerWaalsContact OE2-CG2 3.29Å; E3822-T3887 WeakPolarHBondContact OE2-CG2 3.04Å; E3822-I3888 PolarHBondContact N-O 3.46Å | ||
| 3823 | T | 75.7 | Confident | 71.4 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 11% | 0.11 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -74.7 | 12.8 | -175.7 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | D3821 V3841 I3888 L3910 | D3821-T3823 VanDerWaalsContact OD1-CB 3.28Å; D3821-T3823 WeakPolarHBondContact OD1-CB 3.48Å; D3821-T3823 VanDerWaalsContact OD1-CG2 3.29Å; D3821-T3823 WeakPolarHBondContact OD1-CG2 3.27Å; D3821-T3823 PolarHBondContact OD1-N 3.02Å; D3821-T3823 PolarHBondContact OD1-OG1 3.49Å; T3823-V3841 HydrophobicContact CG2-CG2 4.22Å; T3823-I3888 HydrophobicContact CG2-CG2 3.79Å; T3823-L3910 HydrophobicContact CG2-CB 4.5Å; T3823-L3910 HydrophobicContact CG2-CD2 4.19Å |
| 3824 | G | 61.2 | Low | 69.7 | Low | 63 Ų | 63 | 74 Ų | 74 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 93.9 | 19.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | E3822 G3826 | E3822-G3824 PolarHBondContact O-N 3.39Å; G3824-G3826 PolarHBondContact O-N 2.66Å; G3824-G3826 VanDerWaalsContact O-N 3.16Å |
| 3825 | T | 51.6 | Low | 68.1 | Low | 80 Ų | 80 | 75.5 Ų | 75.5 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | trans | -74.2 | 5.3 | 177.5 | 47 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3826 | G | 44.1 | Very low | 67.1 | Low | 59 Ų | 59 | 77.9 Ų | 77.9 | 61% | 0.608 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -91.8 | 104.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G3824 | G3824-G3826 PolarHBondContact O-N 2.66Å; G3824-G3826 VanDerWaalsContact O-N 3.16Å |
| 3827 | S | 41.5 | Very low | 66.2 | Low | 103 Ų | 103 | 79.1 Ų | 79.1 | 72% | 0.72 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 74.8 | 122.1 | 175.6 | 76.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 3828 | N | 41.7 | Very low | 65.6 | Low | 149 Ų | 149 | 81.2 Ų | 81.2 | 80% | 0.797 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 70.7 | 136.2 | 166.1 | -55.8 | -37.7 | 0 | 0 | 0 | 119 | ||
| 3829 | I | 47.2 | Very low | 65.2 | Low | 146 Ų | 146 | 81.8 Ų | 81.8 | 75% | 0.749 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 84.3 | 127.8 | 166 | -54.8 | 163.7 | 0 | 0 | 0 | 116.9 | ||
| 3830 | D | 53.2 | Low | 64.9 | Low | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 49% | 0.49 | S | S | . | . | trans | 50.6 | 98.1 | 166.2 | -59.5 | -20 | 0 | 0 | 0 | 120.1 | T3832 K3833 S3834 | D3830-T3832 PolarHBondContact O-N 2.87Å; D3830-K3833 HydrophobicContact CB-CB 4.18Å; D3830-K3833 HydrophobicContact CB-CD 3.88Å; D3830-K3833 HydrophobicContact CB-CG 3.94Å; D3830-K3833 PolarHBondContact O-N 2.98Å; D3830-K3833 VanDerWaalsContact O-N 3.14Å; D3830-K3833 VanDerWaalsContact OD2-CE 3.25Å; D3830-K3833 WeakPolarHBondContact OD2-CE 3.37Å; D3830-K3833 IonicContact OD2-NZ 2.66Å; D3830-K3833 PolarHBondContact OD2-NZ 3.37Å; D3830-S3834 PolarHBondContact O-N 2.82Å | ||
| 3831 | V | 57.9 | Low | 64.7 | Low | 127 Ų | 127 | 79.7 Ų | 79.7 | 77% | 0.77 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -52.2 | -36.7 | 168.8 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | S3834 C3835 | V3831-S3834 PolarHBondContact O-N 2.84Å; V3831-S3834 PolarHBondContact O-OG 3.01Å; V3831-C3835 PolarHBondContact O-N 3.13Å |
| 3832 | T | 58.1 | Low | 64.9 | Low | 98 Ų | 98 | 80.7 Ų | 80.7 | 60% | 0.601 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.7 | -48.8 | 177.8 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | D3830 S3834 C3835 D3836 | D3830-T3832 PolarHBondContact O-N 2.87Å; T3832-S3834 VanDerWaalsContact C-N 3.29Å; T3832-S3834 PolarHBondContact O-N 2.84Å; T3832-C3835 WeakPolarHBondContact O-CB 3.21Å; T3832-C3835 PolarHBondContact O-N 2.92Å; T3832-C3835 VanDerWaalsContact O-N 3.13Å; T3832-D3836 PolarHBondContact O-N 3.41Å |
| 3833 | K | 54.7 | Low | 65.1 | Low | 118 Ų | 118 | 82.2 Ų | 82.2 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -31.8 | -179.7 | -65.8 | 177.2 | -176.3 | 150.2 | 0 | 112.5 | D3830 C3835 D3836 N3837 | D3830-K3833 HydrophobicContact CB-CB 4.18Å; D3830-K3833 HydrophobicContact CB-CD 3.88Å; D3830-K3833 HydrophobicContact CB-CG 3.94Å; D3830-K3833 PolarHBondContact O-N 2.98Å; D3830-K3833 VanDerWaalsContact O-N 3.14Å; D3830-K3833 VanDerWaalsContact OD2-CE 3.25Å; D3830-K3833 WeakPolarHBondContact OD2-CE 3.37Å; D3830-K3833 IonicContact OD2-NZ 2.66Å; D3830-K3833 PolarHBondContact OD2-NZ 3.37Å; K3833-C3835 VanDerWaalsContact C-N 3.3Å; K3833-C3835 PolarHBondContact O-N 3.12Å; K3833-D3836 PolarHBondContact O-N 3.12Å; K3833-N3837 PolarHBondContact O-N 3.04Å |
| 3834 | S | 55.2 | Low | 66 | Low | 52 Ų | 52 | 81.5 Ų | 81.5 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -34 | 175 | 79.3 | 0 | 0 | 0 | 0 | 112.9 | D3830 V3831 T3832 T3838 | D3830-S3834 PolarHBondContact O-N 2.82Å; V3831-S3834 PolarHBondContact O-N 2.84Å; V3831-S3834 PolarHBondContact O-OG 3.01Å; T3832-S3834 VanDerWaalsContact C-N 3.29Å; T3832-S3834 PolarHBondContact O-N 2.84Å; S3834-T3838 WeakPolarHBondContact O-CB 3.38Å; S3834-T3838 WeakPolarHBondContact O-CG2 3.34Å; S3834-T3838 PolarHBondContact O-N 3.08Å; S3834-T3838 VanDerWaalsContact O-N 3.1Å; S3834-T3838 PolarHBondContact O-OG1 2.88Å |
| 3835 | C | 59.7 | Low | 67.5 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 46% | 0.459 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 174.6 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | V3831 T3832 K3833 T3838 N3839 | V3831-C3835 PolarHBondContact O-N 3.13Å; T3832-C3835 WeakPolarHBondContact O-CB 3.21Å; T3832-C3835 PolarHBondContact O-N 2.92Å; T3832-C3835 VanDerWaalsContact O-N 3.13Å; K3833-C3835 VanDerWaalsContact C-N 3.3Å; K3833-C3835 PolarHBondContact O-N 3.12Å; C3835-T3838 PolarHBondContact O-OG1 3.02Å; C3835-T3838 VanDerWaalsContact O-OG1 3.1Å; C3835-N3839 WeakPolarHBondContact O-CB 3.48Å; C3835-N3839 PolarHBondContact O-N 3.01Å; C3835-N3839 PolarHBondContact O-ND2 2.82Å |
| 3836 | D | 69.6 | Low | 69.6 | Low | 101 Ų | 101 | 84.5 Ų | 84.5 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 178.5 | -68.4 | -37.8 | 0 | 0 | 0 | 111.7 | T3832 K3833 T3838 N3839 L3840 | T3832-D3836 PolarHBondContact O-N 3.41Å; K3833-D3836 PolarHBondContact O-N 3.12Å; D3836-T3838 PolarHBondContact O-N 3.27Å; D3836-N3839 PolarHBondContact O-N 3.45Å; D3836-L3840 WeakPolarHBondContact O-CG 3.15Å; D3836-L3840 PolarHBondContact O-N 2.99Å |
| 3837 | N | 72.9 | Confident | 72 | Confident | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 178.2 | -79.3 | 5.1 | 0 | 0 | 0 | 112.5 | K3833 N3839 L3840 V3841 | K3833-N3837 PolarHBondContact O-N 3.04Å; N3837-N3839 VanDerWaalsContact C-N 3.3Å; N3837-N3839 PolarHBondContact O-N 3.27Å; N3837-L3840 PolarHBondContact O-N 3Å; N3837-V3841 WeakPolarHBondContact O-CB 3.33Å; N3837-V3841 WeakPolarHBondContact O-CG2 3.35Å; N3837-V3841 PolarHBondContact O-N 2.91Å |
| 3838 | T | 81.3 | Confident | 74.6 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 37% | 0.368 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 177 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | S3834 C3835 D3836 N3842 | S3834-T3838 WeakPolarHBondContact O-CB 3.38Å; S3834-T3838 WeakPolarHBondContact O-CG2 3.34Å; S3834-T3838 PolarHBondContact O-N 3.08Å; S3834-T3838 VanDerWaalsContact O-N 3.1Å; S3834-T3838 PolarHBondContact O-OG1 2.88Å; C3835-T3838 PolarHBondContact O-OG1 3.02Å; C3835-T3838 VanDerWaalsContact O-OG1 3.1Å; D3836-T3838 PolarHBondContact O-N 3.27Å; T3838-N3842 WeakPolarHBondContact O-CB 3.37Å; T3838-N3842 VanDerWaalsContact O-CG 3.24Å; T3838-N3842 PolarHBondContact O-N 2.8Å; T3838-N3842 PolarHBondContact O-ND2 3.02Å; T3838-N3842 VanDerWaalsContact O-ND2 3.11Å |
| 3839 | N | 84.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 74 Ų | 74 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 171.2 | -82.6 | -64.5 | 0 | 0 | 0 | 112.9 | C3835 D3836 N3837 N3842 R3843 | C3835-N3839 WeakPolarHBondContact O-CB 3.48Å; C3835-N3839 PolarHBondContact O-N 3.01Å; C3835-N3839 PolarHBondContact O-ND2 2.82Å; D3836-N3839 PolarHBondContact O-N 3.45Å; N3837-N3839 VanDerWaalsContact C-N 3.3Å; N3837-N3839 PolarHBondContact O-N 3.27Å; N3839-N3842 PolarHBondContact O-N 3.35Å; N3839-R3843 VanDerWaalsContact O-CB 3.3Å; N3839-R3843 WeakPolarHBondContact O-CB 3.31Å; N3839-R3843 PolarHBondContact O-N 3.41Å |
| 3840 | L | 86.8 | Confident | 79.5 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 174.4 | -70.9 | 171.7 | 0 | 0 | 0 | 111.7 | D3836 N3837 N3842 R3843 L3844 L3910 | D3836-L3840 WeakPolarHBondContact O-CG 3.15Å; D3836-L3840 PolarHBondContact O-N 2.99Å; N3837-L3840 PolarHBondContact O-N 3Å; L3840-N3842 PolarHBondContact O-N 3.45Å; L3840-R3843 CarbonylContact O-C 3.31Å; L3840-R3843 WeakPolarHBondContact O-CA 3.38Å; L3840-R3843 WeakPolarHBondContact O-CB 3.37Å; L3840-R3843 PolarHBondContact O-N 2.88Å; L3840-R3843 VanDerWaalsContact O-N 3.12Å; L3840-L3844 PolarHBondContact O-N 2.85Å; L3840-L3910 HydrophobicContact CB-CD1 4.37Å; L3840-L3910 HydrophobicContact CB-CD2 4.37Å |
| 3841 | V | 88.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58 | -46 | 173.8 | 158.6 | 0 | 0 | 0 | 0 | 111.3 | T3823 N3837 R3843 L3844 K3845 I3888 | T3823-V3841 HydrophobicContact CG2-CG2 4.22Å; N3837-V3841 WeakPolarHBondContact O-CB 3.33Å; N3837-V3841 WeakPolarHBondContact O-CG2 3.35Å; N3837-V3841 PolarHBondContact O-N 2.91Å; V3841-R3843 VanDerWaalsContact C-N 3.3Å; V3841-R3843 PolarHBondContact O-N 3.26Å; V3841-L3844 PolarHBondContact O-N 2.83Å; V3841-K3845 HydrophobicContact CG1-CD 4.43Å; V3841-K3845 VanDerWaalsContact CG1-CE 3.5Å; V3841-K3845 WeakPolarHBondContact O-CG 3.38Å; V3841-K3845 PolarHBondContact O-N 3Å; V3841-I3888 HydrophobicContact CB-CD1 4.48Å; V3841-I3888 HydrophobicContact CG1-CD1 3.78Å; V3841-I3888 HydrophobicContact CG2-CD1 4.43Å; V3841-I3888 HydrophobicContact CG2-CG2 4.44Å |
| 3842 | N | 90.8 | Very high | 83.3 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.2 | -23 | 177.5 | -69.6 | -29.5 | 0 | 0 | 0 | 113.3 | T3838 N3839 L3840 K3845 K3846 | T3838-N3842 WeakPolarHBondContact O-CB 3.37Å; T3838-N3842 VanDerWaalsContact O-CG 3.24Å; T3838-N3842 PolarHBondContact O-N 2.8Å; T3838-N3842 PolarHBondContact O-ND2 3.02Å; T3838-N3842 VanDerWaalsContact O-ND2 3.11Å; N3839-N3842 PolarHBondContact O-N 3.35Å; L3840-N3842 PolarHBondContact O-N 3.45Å; N3842-K3845 PolarHBondContact OD1-NZ 3.14Å; N3842-K3846 WeakPolarHBondContact O-CG 3.34Å; N3842-K3846 PolarHBondContact O-N 3.09Å |
| 3843 | R | 91.8 | Very high | 85.1 | Confident | 124 Ų | 124 | 61.2 Ų | 61.2 | 47% | 0.468 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.2 | -45.5 | 168.7 | -172.2 | -174.3 | -59.1 | 175.8 | 1.6 | 111.1 | N3839 L3840 V3841 K3846 W3847 | N3839-R3843 VanDerWaalsContact O-CB 3.3Å; N3839-R3843 WeakPolarHBondContact O-CB 3.31Å; N3839-R3843 PolarHBondContact O-N 3.41Å; L3840-R3843 CarbonylContact O-C 3.31Å; L3840-R3843 WeakPolarHBondContact O-CA 3.38Å; L3840-R3843 WeakPolarHBondContact O-CB 3.37Å; L3840-R3843 PolarHBondContact O-N 2.88Å; L3840-R3843 VanDerWaalsContact O-N 3.12Å; V3841-R3843 VanDerWaalsContact C-N 3.3Å; V3841-R3843 PolarHBondContact O-N 3.26Å; R3843-K3846 PolarHBondContact O-N 3.05Å; R3843-W3847 HydrophobicContact CG-CD2 4.03Å; R3843-W3847 HydrophobicContact CG-CE3 4.46Å; R3843-W3847 HydrophobicContact CG-CH2 4.24Å; R3843-W3847 HydrophobicContact CG-CZ2 3.78Å; R3843-W3847 PolarHBondContact O-N 3.49Å |
| 3844 | L | 92.7 | Very high | 87 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.8 | -170.2 | 77.9 | 0 | 0 | 0 | 111.4 | L3840 V3841 K3846 W3847 F3848 I3888 L3910 L3917 | L3840-L3844 PolarHBondContact O-N 2.85Å; V3841-L3844 PolarHBondContact O-N 2.83Å; L3844-K3846 VanDerWaalsContact C-N 3.3Å; L3844-K3846 PolarHBondContact O-N 3.29Å; L3844-W3847 PolarHBondContact O-N 3.12Å; L3844-W3847 VanDerWaalsContact O-N 3.13Å; L3844-F3848 WeakPolarHBondContact O-CB 3.43Å; L3844-F3848 PolarHBondContact O-N 3.49Å; L3844-I3888 HydrophobicContact CD2-CD1 4.18Å; L3844-I3888 HydrophobicContact CD2-CG1 4.13Å; L3844-I3888 HydrophobicContact CD2-CG2 3.78Å; L3844-L3910 HydrophobicContact CB-CD1 4.05Å; L3844-L3910 HydrophobicContact CD2-CD1 3.97Å; L3844-L3910 HydrophobicContact CG-CD1 4.42Å; L3844-L3917 HydrophobicContact CD1-CD2 4.11Å |
| 3845 | K | 94.2 | Very high | 88.8 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.8 | -45.1 | 174.8 | -70.7 | 171.9 | -168.5 | 164 | 0 | 112.2 | F3819 V3841 N3842 W3849 I3888 | F3819-K3845 HydrophobicContact CB-CD 4.48Å; F3819-K3845 HydrophobicContact CD1-CD 4.26Å; F3819-K3845 HydrophobicContact CD1-CG 3.75Å; F3819-K3845 HydrophobicContact CD2-CD 4.41Å; F3819-K3845 HydrophobicContact CD2-CG 4.43Å; F3819-K3845 HydrophobicContact CE1-CB 4.45Å; F3819-K3845 HydrophobicContact CE1-CG 3.75Å; F3819-K3845 HydrophobicContact CE2-CG 4.43Å; F3819-K3845 HydrophobicContact CG-CD 4.13Å; F3819-K3845 HydrophobicContact CG-CG 4.1Å; F3819-K3845 HydrophobicContact CZ-CB 4.44Å; F3819-K3845 HydrophobicContact CZ-CG 4.1Å; V3841-K3845 HydrophobicContact CG1-CD 4.43Å; V3841-K3845 VanDerWaalsContact CG1-CE 3.5Å; V3841-K3845 WeakPolarHBondContact O-CG 3.38Å; V3841-K3845 PolarHBondContact O-N 3Å; N3842-K3845 PolarHBondContact OD1-NZ 3.14Å; K3845-W3849 PolarHBondContact O-N 3.31Å; K3845-I3888 HydrophobicContact CG-CD1 4.32Å |
| 3846 | K | 94.5 | Very high | 90.5 | Very high | 150 Ų | 150 | 56.4 Ų | 56.4 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 176.2 | -71.9 | 174.2 | -179.4 | 179.4 | 0 | 111.7 | N3842 R3843 L3844 F3848 C3850 | N3842-K3846 WeakPolarHBondContact O-CG 3.34Å; N3842-K3846 PolarHBondContact O-N 3.09Å; R3843-K3846 PolarHBondContact O-N 3.05Å; L3844-K3846 VanDerWaalsContact C-N 3.3Å; L3844-K3846 PolarHBondContact O-N 3.29Å; K3846-F3848 PolarHBondContact O-N 3.26Å; K3846-C3850 VanDerWaalsContact O-CB 3.31Å; K3846-C3850 WeakPolarHBondContact O-CB 3.29Å; K3846-C3850 PolarHBondContact O-N 3.47Å; K3846-C3850 PolarHBondContact O-SG 3.24Å |
| 3847 | W | 95 | Very high | 91.5 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 27% | 0.265 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.4 | -72.9 | -10.3 | 0 | 0 | 0 | 112.7 | R3843 L3844 C3850 T3851 R3914 L3917 | R3843-W3847 HydrophobicContact CG-CD2 4.03Å; R3843-W3847 HydrophobicContact CG-CE3 4.46Å; R3843-W3847 HydrophobicContact CG-CH2 4.24Å; R3843-W3847 HydrophobicContact CG-CZ2 3.78Å; R3843-W3847 PolarHBondContact O-N 3.49Å; L3844-W3847 PolarHBondContact O-N 3.12Å; L3844-W3847 VanDerWaalsContact O-N 3.13Å; W3847-C3850 PolarHBondContact O-N 2.9Å; W3847-T3851 WeakPolarHBondContact O-CB 3.23Å; W3847-T3851 PolarHBondContact O-N 3.19Å; W3847-T3851 PolarHBondContact O-OG1 2.89Å; W3847-T3851 VanDerWaalsContact O-OG1 3.07Å; W3847-R3914 HydrophobicContact CB-CB 4.22Å; W3847-R3914 HydrophobicContact CB-CG 4.09Å; W3847-R3914 HydrophobicContact CD2-CB 3.77Å; W3847-R3914 HydrophobicContact CE3-CB 4.14Å; W3847-R3914 HydrophobicContact CG-CB 3.84Å; W3847-R3914 HydrophobicContact CG-CG 4.14Å; W3847-L3917 HydrophobicContact CB-CD2 3.89Å |
| 3848 | F | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.2 | -58.5 | 175.4 | 177.2 | -98.9 | 0 | 0 | 0 | 111.1 | L3844 K3846 C3850 T3851 V3852 W3867 I3886 L3906 L3908 L3917 L3921 | L3844-F3848 WeakPolarHBondContact O-CB 3.43Å; L3844-F3848 PolarHBondContact O-N 3.49Å; K3846-F3848 PolarHBondContact O-N 3.26Å; F3848-C3850 VanDerWaalsContact C-N 3.33Å; F3848-C3850 PolarHBondContact O-N 2.97Å; F3848-T3851 CarbonylContact O-C 3.51Å; F3848-T3851 WeakPolarHBondContact O-CA 3.14Å; F3848-T3851 WeakPolarHBondContact O-CB 3.32Å; F3848-T3851 PolarHBondContact O-N 3.41Å; F3848-V3852 HydrophobicContact CD1-CG2 4.32Å; F3848-V3852 HydrophobicContact CD2-CG2 4.42Å; F3848-V3852 HydrophobicContact CE1-CG2 3.94Å; F3848-V3852 HydrophobicContact CE2-CG2 4.07Å; F3848-V3852 HydrophobicContact CZ-CG2 3.82Å; F3848-V3852 WeakPolarHBondContact O-CG2 3.35Å; F3848-V3852 PolarHBondContact O-N 3.04Å; F3848-W3867 HydrophobicContact CZ-CZ3 4.44Å; F3848-I3886 HydrophobicContact CD1-CD1 3.93Å; F3848-I3886 HydrophobicContact CE1-CD1 3.38Å; F3848-I3886 HydrophobicContact CE2-CD1 4.31Å; F3848-I3886 HydrophobicContact CZ-CD1 3.6Å; F3848-L3906 HydrophobicContact CE2-CD2 3.99Å; F3848-L3906 HydrophobicContact CZ-CD2 4.13Å; F3848-L3908 HydrophobicContact CD2-CD1 3.61Å; F3848-L3908 HydrophobicContact CE2-CD1 3.95Å; F3848-L3908 HydrophobicContact CG-CD1 4.27Å; F3848-L3917 HydrophobicContact CB-CD2 4.41Å; F3848-L3921 HydrophobicContact CD2-CD2 4.23Å; F3848-L3921 HydrophobicContact CE2-CD2 3.93Å |
| 3849 | W | 96.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -33 | -179.1 | -65.9 | 121 | 0 | 0 | 0 | 113.6 | V3810 L3813 T3817 F3819 K3845 T3851 V3852 R3853 W3867 | V3810-W3849 HydrophobicContact CG1-CE3 3.6Å; V3810-W3849 HydrophobicContact CG1-CZ3 3.98Å; L3813-W3849 HydrophobicContact CD2-CZ3 4.47Å; L3813-W3849 HydrophobicContact CG-CH2 4.21Å; L3813-W3849 HydrophobicContact CG-CZ3 4.26Å; T3817-W3849 HydrophobicContact CG2-CH2 4.22Å; T3817-W3849 HydrophobicContact CG2-CZ2 3.79Å; F3819-W3849 HydrophobicContact CE2-CZ2 4.13Å; F3819-W3849 AromaticContact CE2-NE1 3.51Å; F3819-W3849 AromaticContact CZ-CE2 3.99Å; F3819-W3849 HydrophobicContact CZ-CZ2 4.12Å; F3819-W3849 AromaticContact CZ-NE1 3.46Å; K3845-W3849 PolarHBondContact O-N 3.31Å; W3849-T3851 VanDerWaalsContact C-N 3.31Å; W3849-V3852 HydrophobicContact CE3-CB 4.45Å; W3849-R3853 WeakPolarHBondContact O-CG 3.33Å; W3849-R3853 PolarHBondContact O-N 2.97Å; W3849-W3867 HydrophobicContact CH2-CH2 4.48Å |
| 3850 | C | 95.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 171 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | K3846 W3847 F3848 S3854 R3914 | K3846-C3850 VanDerWaalsContact O-CB 3.31Å; K3846-C3850 WeakPolarHBondContact O-CB 3.29Å; K3846-C3850 PolarHBondContact O-N 3.47Å; K3846-C3850 PolarHBondContact O-SG 3.24Å; W3847-C3850 PolarHBondContact O-N 2.9Å; F3848-C3850 VanDerWaalsContact C-N 3.33Å; F3848-C3850 PolarHBondContact O-N 2.97Å; C3850-S3854 PolarHBondContact O-N 3.09Å; C3850-S3854 PolarHBondContact O-OG 2.96Å; C3850-R3914 VanDerWaalsContact C-NH2 3.29Å; C3850-R3914 PolarHBondContact O-NH2 3.43Å |
| 3851 | T | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.7 | -44.1 | 174 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | W3847 F3848 W3849 S3854 M3855 R3914 R3918 | W3847-T3851 WeakPolarHBondContact O-CB 3.23Å; W3847-T3851 PolarHBondContact O-N 3.19Å; W3847-T3851 PolarHBondContact O-OG1 2.89Å; W3847-T3851 VanDerWaalsContact O-OG1 3.07Å; F3848-T3851 CarbonylContact O-C 3.51Å; F3848-T3851 WeakPolarHBondContact O-CA 3.14Å; F3848-T3851 WeakPolarHBondContact O-CB 3.32Å; F3848-T3851 PolarHBondContact O-N 3.41Å; W3849-T3851 VanDerWaalsContact C-N 3.31Å; T3851-S3854 WeakPolarHBondContact CA-OG 2.89Å; T3851-S3854 CarbonylContact O-C 3.6Å; T3851-S3854 VanDerWaalsContact O-C 3.31Å; T3851-S3854 WeakPolarHBondContact O-CA 3.44Å; T3851-S3854 PolarHBondContact O-N 3.24Å; T3851-S3854 PolarHBondContact O-OG 3.41Å; T3851-M3855 HydrophobicContact CG2-CE 4.46Å; T3851-M3855 PolarHBondContact O-N 2.97Å; T3851-R3914 PolarHBondContact OG1-NE 3.09Å; T3851-R3914 VanDerWaalsContact OG1-NE 3.16Å; T3851-R3918 HydrophobicContact CG2-CB 3.82Å; T3851-R3918 HydrophobicContact CG2-CG 3.88Å |
| 3852 | V | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | V3810 F3848 W3849 S3854 M3855 L3863 | V3810-V3852 HydrophobicContact CG1-CB 4.2Å; V3810-V3852 HydrophobicContact CG1-CG1 3.76Å; V3810-V3852 HydrophobicContact CG2-CG1 3.96Å; F3848-V3852 HydrophobicContact CD1-CG2 4.32Å; F3848-V3852 HydrophobicContact CD2-CG2 4.42Å; F3848-V3852 HydrophobicContact CE1-CG2 3.94Å; F3848-V3852 HydrophobicContact CE2-CG2 4.07Å; F3848-V3852 HydrophobicContact CZ-CG2 3.82Å; F3848-V3852 WeakPolarHBondContact O-CG2 3.35Å; F3848-V3852 PolarHBondContact O-N 3.04Å; W3849-V3852 HydrophobicContact CE3-CB 4.45Å; V3852-S3854 PolarHBondContact O-N 3.44Å; V3852-M3855 HydrophobicContact CG2-SD 4.32Å; V3852-M3855 WeakPolarHBondContact O-CB 3.48Å; V3852-M3855 PolarHBondContact O-N 2.88Å; V3852-M3855 VanDerWaalsContact O-N 3.09Å; V3852-L3863 HydrophobicContact CG1-CD2 4.21Å; V3852-L3863 HydrophobicContact CG2-CD2 3.73Å |
| 3853 | R | 95.5 | Very high | 94.3 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -21.3 | 171.1 | -69 | -169.6 | -167 | 87.1 | -2.2 | 113.3 | V3810 D3811 W3849 | V3810-R3853 HydrophobicContact CB-CG 3.91Å; V3810-R3853 HydrophobicContact CG1-CG 3.72Å; V3810-R3853 HydrophobicContact CG2-CG 4.14Å; D3811-R3853 IonicContact OD1-CZ 3.23Å; D3811-R3853 VanDerWaalsContact OD1-CZ 3.23Å; D3811-R3853 IonicContact OD1-NE 2.98Å; D3811-R3853 PolarHBondContact OD1-NE 3.26Å; D3811-R3853 IonicContact OD1-NH2 2.96Å; D3811-R3853 PolarHBondContact OD1-NH2 2.86Å; W3849-R3853 WeakPolarHBondContact O-CG 3.33Å; W3849-R3853 PolarHBondContact O-N 2.97Å |
| 3854 | S | 94.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 16.8 | 173.6 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | C3850 T3851 V3852 R3918 | C3850-S3854 PolarHBondContact O-N 3.09Å; C3850-S3854 PolarHBondContact O-OG 2.96Å; T3851-S3854 WeakPolarHBondContact CA-OG 2.89Å; T3851-S3854 CarbonylContact O-C 3.6Å; T3851-S3854 VanDerWaalsContact O-C 3.31Å; T3851-S3854 WeakPolarHBondContact O-CA 3.44Å; T3851-S3854 PolarHBondContact O-N 3.24Å; T3851-S3854 PolarHBondContact O-OG 3.41Å; V3852-S3854 PolarHBondContact O-N 3.44Å; S3854-R3918 PolarHBondContact O-NH1 3.47Å; S3854-R3918 PolarHBondContact OG-NH1 3.09Å |
| 3855 | M | 93.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -96.8 | 145.7 | 168.1 | -74.7 | 169.4 | 160.9 | 0 | 0 | 110 | T3851 V3852 Q3859 R3860 L3863 L3921 L3922 I3925 | T3851-M3855 HydrophobicContact CG2-CE 4.46Å; T3851-M3855 PolarHBondContact O-N 2.97Å; V3852-M3855 HydrophobicContact CG2-SD 4.32Å; V3852-M3855 WeakPolarHBondContact O-CB 3.48Å; V3852-M3855 PolarHBondContact O-N 2.88Å; V3852-M3855 VanDerWaalsContact O-N 3.09Å; M3855-Q3859 HydrophobicContact CB-CB 3.78Å; M3855-Q3859 HydrophobicContact CG-CB 4.04Å; M3855-Q3859 HydrophobicContact SD-CB 4.5Å; M3855-R3860 HydrophobicContact CB-CG 4.08Å; M3855-R3860 PolarHBondContact O-NE 3.18Å; M3855-R3860 PolarHBondContact O-NH2 3.1Å; M3855-L3863 HydrophobicContact SD-CD2 3.98Å; M3855-L3921 HydrophobicContact CE-CD2 3.74Å; M3855-L3921 HydrophobicContact CE-CG 4.02Å; M3855-L3922 HydrophobicContact CE-CD2 3.92Å; M3855-L3922 HydrophobicContact CE-CG 4.42Å; M3855-I3925 HydrophobicContact CE-CD1 4.13Å |
| 3856 | D | 94.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | trans | -69.1 | 172.3 | 167.9 | 69.8 | 52.7 | 0 | 0 | 0 | 111.6 | K3858 Q3859 R3860 | D3856-K3858 VanDerWaalsContact C-N 3.33Å; D3856-K3858 PolarHBondContact O-N 2.8Å; D3856-K3858 WeakPolarHBondContact OD1-CA 3.33Å; D3856-K3858 WeakPolarHBondContact OD1-CB 3.42Å; D3856-K3858 PolarHBondContact OD1-N 2.73Å; D3856-Q3859 PolarHBondContact O-N 2.93Å; D3856-Q3859 WeakPolarHBondContact OD1-CG 3.43Å; D3856-Q3859 PolarHBondContact OD1-N 3.39Å; D3856-Q3859 WeakPolarHBondContact OD2-CG 3.45Å; D3856-Q3859 PolarHBondContact OD2-NE2 3.48Å; D3856-R3860 WeakPolarHBondContact O-CG 3.44Å; D3856-R3860 PolarHBondContact O-N 3Å; D3856-R3860 VanDerWaalsContact O-N 3.09Å | ||
| 3857 | M | 91.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64 | -37.2 | -175.7 | -168 | 60.5 | 77.5 | 0 | 0 | 112.7 | D3807 I3808 R3860 Q3861 | D3807-M3857 HydrophobicContact CB-CE 3.97Å; D3807-M3857 WeakPolarHBondContact OD1-CE 3.28Å; I3808-M3857 HydrophobicContact CB-SD 4.17Å; I3808-M3857 PolarHBondContact N-SD 2.97Å; M3857-R3860 WeakPolarHBondContact O-CB 3.4Å; M3857-R3860 PolarHBondContact O-N 2.82Å; M3857-Q3861 WeakPolarHBondContact O-CG 3.35Å; M3857-Q3861 PolarHBondContact O-N 2.82Å |
| 3858 | K | 92.3 | Very high | 94.1 | Very high | 138 Ų | 138 | 38.3 Ų | 38.3 | 60% | 0.6 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -68.6 | -44.9 | 179.9 | -179 | 175.1 | 178 | 179.5 | 0 | 110.8 | D3856 R3860 Q3861 D3862 | D3856-K3858 VanDerWaalsContact C-N 3.33Å; D3856-K3858 PolarHBondContact O-N 2.8Å; D3856-K3858 WeakPolarHBondContact OD1-CA 3.33Å; D3856-K3858 WeakPolarHBondContact OD1-CB 3.42Å; D3856-K3858 PolarHBondContact OD1-N 2.73Å; K3858-R3860 PolarHBondContact O-N 3.48Å; K3858-Q3861 PolarHBondContact O-N 3.11Å; K3858-D3862 WeakPolarHBondContact CG-OD2 3.46Å; K3858-D3862 PolarHBondContact O-N 2.74Å |
| 3859 | Q | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.7 | -34.4 | 173 | -70.4 | 171.2 | 21.1 | 0 | 0 | 112.2 | M3855 D3856 L3863 L3922 I3925 | M3855-Q3859 HydrophobicContact CB-CB 3.78Å; M3855-Q3859 HydrophobicContact CG-CB 4.04Å; M3855-Q3859 HydrophobicContact SD-CB 4.5Å; D3856-Q3859 PolarHBondContact O-N 2.93Å; D3856-Q3859 WeakPolarHBondContact OD1-CG 3.43Å; D3856-Q3859 PolarHBondContact OD1-N 3.39Å; D3856-Q3859 WeakPolarHBondContact OD2-CG 3.45Å; D3856-Q3859 PolarHBondContact OD2-NE2 3.48Å; Q3859-L3863 WeakPolarHBondContact O-CB 3.2Å; Q3859-L3863 PolarHBondContact O-N 2.99Å; Q3859-L3922 HydrophobicContact CG-CD2 4.19Å; Q3859-I3925 HydrophobicContact CB-CD1 4.36Å; Q3859-I3925 WeakPolarHBondContact O-CD1 3.33Å |
| 3860 | R | 95 | Very high | 93.5 | Very high | 51 Ų | 51 | 37.5 Ų | 37.5 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.8 | -39.5 | 172.8 | -66.2 | 171.7 | -158.1 | -170.8 | 6.6 | 112.4 | I3808 M3855 D3856 M3857 K3858 L3863 L3864 | I3808-R3860 HydrophobicContact CB-CB 3.99Å; I3808-R3860 VanDerWaalsContact CD1-C 3.46Å; I3808-R3860 HydrophobicContact CD1-CB 3.87Å; I3808-R3860 WeakPolarHBondContact CD1-O 3.33Å; I3808-R3860 HydrophobicContact CG1-CB 4.48Å; I3808-R3860 HydrophobicContact CG2-CB 4.11Å; I3808-R3860 PolarHBondContact O-NH1 3.27Å; I3808-R3860 VanDerWaalsContact O-NH1 3.12Å; M3855-R3860 HydrophobicContact CB-CG 4.08Å; M3855-R3860 PolarHBondContact O-NE 3.18Å; M3855-R3860 PolarHBondContact O-NH2 3.1Å; D3856-R3860 WeakPolarHBondContact O-CG 3.44Å; D3856-R3860 PolarHBondContact O-N 3Å; D3856-R3860 VanDerWaalsContact O-N 3.09Å; M3857-R3860 WeakPolarHBondContact O-CB 3.4Å; M3857-R3860 PolarHBondContact O-N 2.82Å; K3858-R3860 PolarHBondContact O-N 3.48Å; R3860-L3863 PolarHBondContact O-N 3.02Å; R3860-L3864 WeakPolarHBondContact O-CB 3.38Å; R3860-L3864 PolarHBondContact O-N 3.49Å |
| 3861 | Q | 93.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 35.8 Ų | 35.8 | 29% | 0.285 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.2 | -43.7 | 178.2 | -70.2 | 172.7 | -9.5 | 0 | 0 | 111.4 | G3806 I3808 M3857 K3858 L3863 L3864 Y3865 P3871 | G3806-Q3861 PolarHBondContact O-NE2 2.83Å; I3808-Q3861 HydrophobicContact CD1-CB 4.25Å; I3808-Q3861 HydrophobicContact CD1-CG 3.67Å; I3808-Q3861 HydrophobicContact CG1-CG 4.44Å; M3857-Q3861 WeakPolarHBondContact O-CG 3.35Å; M3857-Q3861 PolarHBondContact O-N 2.82Å; K3858-Q3861 PolarHBondContact O-N 3.11Å; Q3861-L3863 VanDerWaalsContact C-N 3.34Å; Q3861-L3863 PolarHBondContact O-N 3.45Å; Q3861-L3864 PolarHBondContact O-N 2.99Å; Q3861-Y3865 WeakPolarHBondContact O-CB 3.48Å; Q3861-Y3865 PolarHBondContact O-N 3.31Å; Q3861-P3871 HydrophobicContact CB-CB 4.44Å |
| 3862 | D | 93.2 | Very high | 93.2 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 173.3 | -71.7 | -42.6 | 0 | 0 | 0 | 110.9 | K3858 Y3865 F3866 I3925 K3928 | K3858-D3862 WeakPolarHBondContact CG-OD2 3.46Å; K3858-D3862 PolarHBondContact O-N 2.74Å; D3862-Y3865 PolarHBondContact O-N 3.44Å; D3862-F3866 WeakPolarHBondContact O-CB 3.4Å; D3862-F3866 PolarHBondContact O-N 2.84Å; D3862-I3925 HydrophobicContact CB-CB 4.41Å; D3862-K3928 IonicContact OD1-NZ 3.67Å |
| 3863 | L | 94.4 | Very high | 93 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 171.6 | 174.6 | 63.8 | 0 | 0 | 0 | 113.2 | V3852 M3855 Q3859 R3860 Q3861 Y3865 F3866 W3867 L3921 I3925 | V3852-L3863 HydrophobicContact CG1-CD2 4.21Å; V3852-L3863 HydrophobicContact CG2-CD2 3.73Å; M3855-L3863 HydrophobicContact SD-CD2 3.98Å; Q3859-L3863 WeakPolarHBondContact O-CB 3.2Å; Q3859-L3863 PolarHBondContact O-N 2.99Å; R3860-L3863 PolarHBondContact O-N 3.02Å; Q3861-L3863 VanDerWaalsContact C-N 3.34Å; Q3861-L3863 PolarHBondContact O-N 3.45Å; L3863-Y3865 VanDerWaalsContact C-N 3.33Å; L3863-F3866 PolarHBondContact O-N 3.23Å; L3863-W3867 WeakPolarHBondContact O-CB 3.29Å; L3863-W3867 PolarHBondContact O-N 3.37Å; L3863-L3921 HydrophobicContact CD1-CD1 3.87Å; L3863-L3921 HydrophobicContact CD1-CD2 4.44Å; L3863-L3921 HydrophobicContact CD1-CG 4.35Å; L3863-I3925 HydrophobicContact CB-CD1 4.28Å; L3863-I3925 HydrophobicContact CB-CG2 3.97Å; L3863-I3925 HydrophobicContact CD1-CG2 3.73Å; L3863-I3925 HydrophobicContact CG-CG2 4.48Å |
| 3864 | L | 93 | Very high | 92.7 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 179 | -173.4 | 62.9 | 0 | 0 | 0 | 111.2 | I3808 L3813 R3860 Q3861 W3867 T3868 S3870 T3872 L3873 | I3808-L3864 HydrophobicContact CD1-CB 3.96Å; I3808-L3864 HydrophobicContact CD1-CD2 3.7Å; I3808-L3864 HydrophobicContact CD1-CG 4.49Å; I3808-L3864 HydrophobicContact CG1-CD2 4.25Å; L3813-L3864 HydrophobicContact CD1-CD1 4.48Å; R3860-L3864 WeakPolarHBondContact O-CB 3.38Å; R3860-L3864 PolarHBondContact O-N 3.49Å; Q3861-L3864 PolarHBondContact O-N 2.99Å; L3864-W3867 PolarHBondContact O-N 3.33Å; L3864-T3868 HydrophobicContact CD1-CG2 3.94Å; L3864-T3868 WeakPolarHBondContact O-CA 3.48Å; L3864-T3868 WeakPolarHBondContact O-CB 3.46Å; L3864-T3868 PolarHBondContact O-N 3.12Å; L3864-T3868 PolarHBondContact O-OG1 2.91Å; L3864-S3870 CarbonylContact C-O 3.51Å; L3864-S3870 VanDerWaalsContact C-O 3.3Å; L3864-T3872 VanDerWaalsContact CD2-C 3.42Å; L3864-L3873 HydrophobicContact CD1-CD2 3.97Å; L3864-L3873 HydrophobicContact CD2-CB 4.5Å; L3864-L3873 HydrophobicContact CD2-CD2 3.64Å; L3864-L3873 HydrophobicContact CD2-CG 3.83Å; L3864-L3873 HydrophobicContact CG-CD2 4.5Å |
| 3865 | Y | 92.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 172.6 | -177.3 | -106 | 0 | 0 | 0 | 111.9 | T3205 Q3861 D3862 L3863 W3867 S3869 S3870 F3930 | T3205-Y3865 HydrophobicContact CG2-CD2 4.25Å; T3205-Y3865 HydrophobicContact CG2-CE2 3.8Å; Q3861-Y3865 WeakPolarHBondContact O-CB 3.48Å; Q3861-Y3865 PolarHBondContact O-N 3.31Å; D3862-Y3865 PolarHBondContact O-N 3.44Å; L3863-Y3865 VanDerWaalsContact C-N 3.33Å; Y3865-W3867 VanDerWaalsContact C-N 3.3Å; Y3865-W3867 PolarHBondContact O-N 2.84Å; Y3865-S3869 WeakPolarHBondContact O-CA 3.49Å; Y3865-S3869 PolarHBondContact O-N 3.07Å; Y3865-S3870 WeakPolarHBondContact CA-O 3.39Å; Y3865-S3870 PolarHBondContact N-O 3.5Å; Y3865-F3930 HydrophobicContact CE1-CZ 4.35Å; Y3865-F3930 AromaticContact CZ-CZ 3.95Å; Y3865-F3930 WeakPolarHBondContact OH-CE2 3.47Å |
| 3866 | F | 93.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 17% | 0.171 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -42 | 174.4 | -176.9 | -95.9 | 0 | 0 | 0 | 112.3 | D3862 L3863 P3897 A3899 L3906 A3924 I3925 | D3862-F3866 WeakPolarHBondContact O-CB 3.4Å; D3862-F3866 PolarHBondContact O-N 2.84Å; L3863-F3866 PolarHBondContact O-N 3.23Å; F3866-P3897 HydrophobicContact CE1-CB 4.45Å; F3866-P3897 WeakPolarHBondContact CZ-O 3.29Å; F3866-A3899 HydrophobicContact CD1-CB 4.04Å; F3866-A3899 HydrophobicContact CE1-CB 3.83Å; F3866-A3899 HydrophobicContact CZ-CB 4.42Å; F3866-A3899 VanDerWaalsContact O-CB 3.23Å; F3866-A3899 WeakPolarHBondContact O-CB 3.43Å; F3866-L3906 HydrophobicContact CD1-CD1 4Å; F3866-L3906 HydrophobicContact CE1-CD1 3.77Å; F3866-A3924 HydrophobicContact CE1-CB 4.41Å; F3866-A3924 HydrophobicContact CE2-CB 4.2Å; F3866-A3924 HydrophobicContact CZ-CB 3.96Å; F3866-I3925 HydrophobicContact CB-CG2 4.07Å; F3866-I3925 HydrophobicContact CD1-CG2 4.45Å; F3866-I3925 HydrophobicContact CG-CG2 4.24Å |
| 3867 | W | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -80.5 | -36.3 | -177.1 | -173.7 | 3.2 | 0 | 0 | 0 | 113.7 | L3813 T3817 F3848 W3849 L3863 L3864 Y3865 P3884 S3885 I3886 S3904 L3906 | L3813-W3867 HydrophobicContact CD1-CH2 4.46Å; L3813-W3867 HydrophobicContact CD1-CZ3 4.19Å; L3813-W3867 HydrophobicContact CD2-CZ3 4.25Å; L3813-W3867 HydrophobicContact CG-CZ3 4.41Å; T3817-W3867 HydrophobicContact CG2-CH2 3.71Å; T3817-W3867 HydrophobicContact CG2-CZ2 3.95Å; T3817-W3867 WeakPolarHBondContact OG1-CH2 3.45Å; F3848-W3867 HydrophobicContact CZ-CZ3 4.44Å; W3849-W3867 HydrophobicContact CH2-CH2 4.48Å; L3863-W3867 WeakPolarHBondContact O-CB 3.29Å; L3863-W3867 PolarHBondContact O-N 3.37Å; L3864-W3867 PolarHBondContact O-N 3.33Å; Y3865-W3867 VanDerWaalsContact C-N 3.3Å; Y3865-W3867 PolarHBondContact O-N 2.84Å; W3867-P3884 HydrophobicContact CH2-CB 4.4Å; W3867-P3884 HydrophobicContact CZ2-CB 3.71Å; W3867-S3885 PolarHBondContact NE1-O 2.94Å; W3867-S3885 VanDerWaalsContact NE1-O 3.12Å; W3867-I3886 HydrophobicContact CH2-CD1 3.68Å; W3867-I3886 HydrophobicContact CH2-CG1 3.72Å; W3867-I3886 HydrophobicContact CZ2-CD1 3.96Å; W3867-I3886 HydrophobicContact CZ2-CG1 3.43Å; W3867-I3886 VanDerWaalsContact CZ2-CG1 3.43Å; W3867-I3886 HydrophobicContact CZ3-CD1 4.37Å; W3867-S3904 PolarHBondContact NE1-O 2.87Å; W3867-L3906 HydrophobicContact CD2-CB 4.13Å; W3867-L3906 HydrophobicContact CD2-CD2 4.48Å; W3867-L3906 HydrophobicContact CG-CB 3.99Å |
| 3868 | T | 91.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -129.7 | 1.4 | -167.3 | 74.9 | 0 | 0 | 0 | 0 | 115.1 | R3201 L3864 S3870 | R3201-T3868 PolarHBondContact NE-O 3.34Å; R3201-T3868 VanDerWaalsContact NE-O 3.13Å; R3201-T3868 PolarHBondContact NH1-O 3.23Å; L3864-T3868 HydrophobicContact CD1-CG2 3.94Å; L3864-T3868 WeakPolarHBondContact O-CA 3.48Å; L3864-T3868 WeakPolarHBondContact O-CB 3.46Å; L3864-T3868 PolarHBondContact O-N 3.12Å; L3864-T3868 PolarHBondContact O-OG1 2.91Å; T3868-S3870 PolarHBondContact O-N 3.13Å; T3868-S3870 PolarHBondContact OG1-O 2.96Å |
| 3869 | S | 90.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 55.1 | 21.7 | -176.4 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | G3198 R3201 S3202 T3205 Y3865 T3901 | G3198-S3869 VanDerWaalsContact CA-OG 3.28Å; G3198-S3869 WeakPolarHBondContact CA-OG 3.42Å; G3198-S3869 WeakPolarHBondContact O-CB 3.47Å; G3198-S3869 PolarHBondContact O-OG 3.3Å; R3201-S3869 CarbonylContact C-O 3.6Å; R3201-S3869 WeakPolarHBondContact CB-O 3.21Å; S3202-S3869 PolarHBondContact N-O 2.86Å; T3205-S3869 PolarHBondContact OG1-O 3.46Å; Y3865-S3869 WeakPolarHBondContact O-CA 3.49Å; Y3865-S3869 PolarHBondContact O-N 3.07Å; S3869-T3901 WeakPolarHBondContact OG-CB 3.39Å |
| 3870 | S | 90.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -134.5 | 139.9 | 166.4 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | T3654 L3864 Y3865 T3868 T3872 | T3654-S3870 PolarHBondContact OG1-OG 2.93Å; L3864-S3870 CarbonylContact C-O 3.51Å; L3864-S3870 VanDerWaalsContact C-O 3.3Å; Y3865-S3870 WeakPolarHBondContact CA-O 3.39Å; Y3865-S3870 PolarHBondContact N-O 3.5Å; T3868-S3870 PolarHBondContact O-N 3.13Å; T3868-S3870 PolarHBondContact OG1-O 2.96Å; S3870-T3872 VanDerWaalsContact C-N 3.33Å | ||
| 3871 | P | 91.9 | Very high | 89.5 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 16% | 0.156 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -81.1 | -9.1 | -179.8 | 32.6 | -35.1 | 0 | 0 | 0 | 113.6 | T3205 P3656 Q3861 | T3205-P3871 HydrophobicContact CG2-CG 4.13Å; P3656-P3871 HydrophobicContact CG-CG 4.41Å; Q3861-P3871 HydrophobicContact CB-CB 4.44Å |
| 3872 | T | 92.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -115.1 | 148.8 | -176.4 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | T3654 N3803 L3864 S3870 | T3654-T3872 PolarHBondContact OG1-OG1 2.97Å; N3803-T3872 WeakPolarHBondContact O-CB 3.4Å; N3803-T3872 WeakPolarHBondContact O-CG2 3.46Å; N3803-T3872 PolarHBondContact O-OG1 3.2Å; L3864-T3872 VanDerWaalsContact CD2-C 3.42Å; S3870-T3872 VanDerWaalsContact C-N 3.33Å |
| 3873 | L | 90.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 132.8 | 170.5 | -70.2 | 174.2 | 0 | 0 | 0 | 109.3 | G3804 T3805 I3808 L3813 L3864 F3880 | G3804-L3873 CarbonylContact C-O 3.44Å; G3804-L3873 WeakPolarHBondContact CA-O 3.37Å; T3805-L3873 PolarHBondContact N-O 3.07Å; T3805-L3873 PolarHBondContact O-N 3.16Å; I3808-L3873 HydrophobicContact CB-CD1 4.42Å; I3808-L3873 HydrophobicContact CG1-CD1 4.45Å; I3808-L3873 HydrophobicContact CG1-CG 4.28Å; I3808-L3873 HydrophobicContact CG2-CD1 4.1Å; I3808-L3873 HydrophobicContact CG2-CG 4.44Å; L3813-L3873 HydrophobicContact CB-CD2 4.42Å; L3813-L3873 HydrophobicContact CD1-CD2 4.02Å; L3864-L3873 HydrophobicContact CD1-CD2 3.97Å; L3864-L3873 HydrophobicContact CD2-CB 4.5Å; L3864-L3873 HydrophobicContact CD2-CD2 3.64Å; L3864-L3873 HydrophobicContact CD2-CG 3.83Å; L3864-L3873 HydrophobicContact CG-CD2 4.5Å; L3873-F3880 HydrophobicContact CD2-CZ 4Å |
| 3874 | P | 90.9 | Very high | 88.9 | Confident | 19 Ų | 19 | 27.3 Ų | 27.3 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | trans | -58.8 | 143.4 | 165.6 | -22.3 | 33.5 | 0 | 0 | 0 | 111.4 | T3654 S3876 F3880 | T3654-P3874 HydrophobicContact CG2-CB 4.45Å; T3654-P3874 HydrophobicContact CG2-CG 4.4Å; P3874-S3876 PolarHBondContact O-N 3.34Å; P3874-F3880 VanDerWaalsContact CD-CZ 3.47Å; P3874-F3880 HydrophobicContact CG-CD1 4.47Å; P3874-F3880 HydrophobicContact CG-CD2 4.44Å; P3874-F3880 HydrophobicContact CG-CE1 4.24Å; P3874-F3880 HydrophobicContact CG-CE2 4.19Å; P3874-F3880 HydrophobicContact CG-CZ 4.12Å | ||
| 3875 | A | 88.3 | Confident | 89 | Confident | 7 Ų | 7 | 27.5 Ų | 27.5 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -63.3 | -6.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P2919 F3041 L3800 | P2919-A3875 HydrophobicContact CB-CB 4.47Å; P2919-A3875 WeakPolarHBondContact CB-O 3.46Å; P2919-A3875 HydrophobicContact CG-CB 3.96Å; P2919-A3875 WeakPolarHBondContact CG-O 3.4Å; F3041-A3875 HydrophobicContact CE1-CB 3.5Å; F3041-A3875 HydrophobicContact CZ-CB 3.67Å; L3800-A3875 HydrophobicContact CB-CB 4.16Å; L3800-A3875 HydrophobicContact CD2-CB 4.31Å |
| 3876 | S | 88.8 | Confident | 89.2 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -156.1 | 165.1 | 170.3 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | E3045 R3049 P3874 Q3878 G3879 | E3045-S3876 WeakPolarHBondContact OE1-CB 3.39Å; E3045-S3876 PolarHBondContact OE1-OG 2.71Å; E3045-S3876 VanDerWaalsContact OE2-CB 3.25Å; E3045-S3876 WeakPolarHBondContact OE2-CB 3.36Å; E3045-S3876 PolarHBondContact OE2-OG 3.44Å; E3045-S3876 VanDerWaalsContact OE2-OG 3.06Å; R3049-S3876 PolarHBondContact NH2-OG 2.61Å; R3049-S3876 VanDerWaalsContact NH2-OG 3.16Å; P3874-S3876 PolarHBondContact O-N 3.34Å; S3876-Q3878 PolarHBondContact O-N 2.81Å; S3876-Q3878 VanDerWaalsContact O-N 3.11Å; S3876-G3879 WeakPolarHBondContact O-CA 3.38Å; S3876-G3879 PolarHBondContact O-N 3.04Å |
| 3877 | A | 84.6 | Confident | 89.3 | Confident | 30 Ų | 30 | 24.4 Ų | 24.4 | 25% | 0.248 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -48.4 | -36.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y3816 G3879 F3880 M3883 | Y3816-A3877 HydrophobicContact CD1-CB 3.89Å; Y3816-A3877 HydrophobicContact CE1-CB 3.52Å; Y3816-A3877 PolarHBondContact OH-N 2.94Å; A3877-G3879 PolarHBondContact O-N 2.97Å; A3877-G3879 VanDerWaalsContact O-N 3.1Å; A3877-F3880 PolarHBondContact O-N 2.81Å; A3877-M3883 HydrophobicContact CB-CE 4.28Å |
| 3878 | Q | 82.8 | Confident | 89.3 | Confident | 141 Ų | 141 | 24.4 Ų | 24.4 | 66% | 0.659 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | -63.5 | -15.4 | 178.2 | -164.3 | 65.8 | 24.5 | 0 | 0 | 112.5 | R3049 S3876 F3880 | R3049-Q3878 PolarHBondContact NH1-O 3.16Å; S3876-Q3878 PolarHBondContact O-N 2.81Å; S3876-Q3878 VanDerWaalsContact O-N 3.11Å; Q3878-F3880 VanDerWaalsContact C-N 3.3Å; Q3878-F3880 PolarHBondContact O-N 3.02Å |
| 3879 | G | 80.2 | Confident | 89.3 | Confident | 5 Ų | 5 | 27 Ų | 27 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -65.2 | -27.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | R3049 S3876 A3877 Q3881 | R3049-G3879 VanDerWaalsContact NH1-N 3.1Å; R3049-G3879 VanDerWaalsContact NH2-CA 3.34Å; S3876-G3879 WeakPolarHBondContact O-CA 3.38Å; S3876-G3879 PolarHBondContact O-N 3.04Å; A3877-G3879 PolarHBondContact O-N 2.97Å; A3877-G3879 VanDerWaalsContact O-N 3.1Å; G3879-Q3881 PolarHBondContact O-N 3.21Å |
| 3880 | F | 80.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | trans | -86.9 | 103.8 | -173.2 | -70.2 | -81 | 0 | 0 | 0 | 112.3 | Y3816 L3873 P3874 A3877 Q3878 P3882 M3883 P3884 | Y3816-F3880 HydrophobicContact CD2-CD2 4.19Å; Y3816-F3880 AromaticContact CD2-CE2 3.55Å; Y3816-F3880 HydrophobicContact CD2-CE2 3.55Å; Y3816-F3880 HydrophobicContact CD2-CZ 4.42Å; Y3816-F3880 HydrophobicContact CE2-CE2 4.1Å; Y3816-F3880 HydrophobicContact CG-CE2 4.33Å; L3873-F3880 HydrophobicContact CD2-CZ 4Å; P3874-F3880 VanDerWaalsContact CD-CZ 3.47Å; P3874-F3880 HydrophobicContact CG-CD1 4.47Å; P3874-F3880 HydrophobicContact CG-CD2 4.44Å; P3874-F3880 HydrophobicContact CG-CE1 4.24Å; P3874-F3880 HydrophobicContact CG-CE2 4.19Å; P3874-F3880 HydrophobicContact CG-CZ 4.12Å; A3877-F3880 PolarHBondContact O-N 2.81Å; Q3878-F3880 VanDerWaalsContact C-N 3.3Å; Q3878-F3880 PolarHBondContact O-N 3.02Å; F3880-P3882 CarbonylContact C-O 3.53Å; F3880-P3882 WeakPolarHBondContact CB-O 3.34Å; F3880-P3882 CarbonylContact O-C 3.54Å; F3880-P3882 VanDerWaalsContact O-C 3.23Å; F3880-P3882 WeakPolarHBondContact O-CA 3.49Å; F3880-M3883 HydrophobicContact CB-SD 4.14Å; F3880-M3883 HydrophobicContact CD2-SD 4.42Å; F3880-M3883 PolarHBondContact O-N 2.84Å; F3880-P3884 HydrophobicContact CD1-CG 4.2Å; F3880-P3884 HydrophobicContact CE1-CG 4.18Å | ||
| 3881 | Q | 81.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 35 Ų | 35 | 46% | 0.458 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -115.5 | 77.8 | 174.5 | -178 | 139.4 | 81.8 | 0 | 0 | 110 | G3879 | G3879-Q3881 PolarHBondContact O-N 3.21Š|
| 3882 | P | 85.6 | Confident | 89 | Confident | 52 Ų | 52 | 37.1 Ų | 37.1 | 34% | 0.338 | 21% | 0.208 | S | C | . | . | S | Bend | cis | -99.5 | 171.6 | 10.5 | 39.5 | -36.4 | 0 | 0 | 0 | 115.1 | F3880 I3903 | F3880-P3882 CarbonylContact C-O 3.53Å; F3880-P3882 WeakPolarHBondContact CB-O 3.34Å; F3880-P3882 CarbonylContact O-C 3.54Å; F3880-P3882 VanDerWaalsContact O-C 3.23Å; F3880-P3882 WeakPolarHBondContact O-CA 3.49Å; P3882-I3903 HydrophobicContact CG-CB 4.45Å; P3882-I3903 WeakPolarHBondContact CG-O 3.49Å |
| 3883 | M | 88.5 | Confident | 89 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 39% | 0.389 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -55.3 | 136.2 | 171.9 | -160.5 | 64.3 | 66 | 0 | 0 | 111.9 | Y3816 A3877 F3880 | Y3816-M3883 VanDerWaalsContact O-CG 3.3Å; Y3816-M3883 WeakPolarHBondContact O-CG 3.33Å; A3877-M3883 HydrophobicContact CB-CE 4.28Å; F3880-M3883 HydrophobicContact CB-SD 4.14Å; F3880-M3883 HydrophobicContact CD2-SD 4.42Å; F3880-M3883 PolarHBondContact O-N 2.84Å |
| 3884 | P | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 143.4 | -174.9 | 26.1 | -32.6 | 0 | 0 | 0 | 112.8 | Y3816 T3818 W3867 F3880 S3904 | Y3816-P3884 WeakPolarHBondContact O-CG 3.26Å; T3818-P3884 PolarHBondContact N-O 3.48Å; T3818-P3884 VanDerWaalsContact N-O 3.08Å; T3818-P3884 PolarHBondContact OG1-O 2.91Å; W3867-P3884 HydrophobicContact CH2-CB 4.4Å; W3867-P3884 HydrophobicContact CZ2-CB 3.71Å; F3880-P3884 HydrophobicContact CD1-CG 4.2Å; F3880-P3884 HydrophobicContact CE1-CG 4.18Å; P3884-S3904 WeakPolarHBondContact CA-O 3.31Å |
| 3885 | S | 95.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.4 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | T3818 W3867 S3904 R3905 L3906 | T3818-S3885 CarbonylContact O-C 3.4Å; T3818-S3885 WeakPolarHBondContact O-CA 3.29Å; T3818-S3885 WeakPolarHBondContact OG1-CB 3.46Å; W3867-S3885 PolarHBondContact NE1-O 2.94Å; W3867-S3885 VanDerWaalsContact NE1-O 3.12Å; S3885-S3904 PolarHBondContact N-O 3.23Å; S3885-R3905 CarbonylContact O-C 3.41Å; S3885-R3905 VanDerWaalsContact O-CA 3.31Å; S3885-R3905 WeakPolarHBondContact O-CA 3.38Å; S3885-R3905 PolarHBondContact OG-NE 3.45Å; S3885-R3905 VanDerWaalsContact OG-NE 3.13Å; S3885-L3906 PolarHBondContact O-N 3.33Å |
| 3886 | I | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.4 | 171 | -57.3 | -177.2 | 0 | 0 | 0 | 108.3 | T3817 T3818 F3819 V3820 F3848 W3867 L3906 L3908 | T3817-I3886 HydrophobicContact CG2-CD1 3.88Å; T3817-I3886 HydrophobicContact CG2-CG1 3.84Å; T3818-I3886 PolarHBondContact O-N 3.01Å; F3819-I3886 CarbonylContact C-O 3.59Å; F3819-I3886 WeakPolarHBondContact CA-O 3.42Å; F3819-I3886 HydrophobicContact CD1-CB 3.77Å; F3819-I3886 HydrophobicContact CD1-CG2 4Å; F3819-I3886 HydrophobicContact CE1-CB 3.75Å; F3819-I3886 HydrophobicContact CE1-CD1 3.74Å; F3819-I3886 HydrophobicContact CE1-CG1 4.24Å; F3819-I3886 HydrophobicContact CE1-CG2 3.83Å; F3819-I3886 HydrophobicContact CZ-CB 4.48Å; F3819-I3886 HydrophobicContact CZ-CD1 3.79Å; V3820-I3886 PolarHBondContact N-O 2.89Å; F3848-I3886 HydrophobicContact CD1-CD1 3.93Å; F3848-I3886 HydrophobicContact CE1-CD1 3.38Å; F3848-I3886 HydrophobicContact CE2-CD1 4.31Å; F3848-I3886 HydrophobicContact CZ-CD1 3.6Å; W3867-I3886 HydrophobicContact CH2-CD1 3.68Å; W3867-I3886 HydrophobicContact CH2-CG1 3.72Å; W3867-I3886 HydrophobicContact CZ2-CD1 3.96Å; W3867-I3886 HydrophobicContact CZ2-CG1 3.43Å; W3867-I3886 VanDerWaalsContact CZ2-CG1 3.43Å; W3867-I3886 HydrophobicContact CZ3-CD1 4.37Å; I3886-L3906 CarbonylContact C-O 3.54Å; I3886-L3906 WeakPolarHBondContact CA-O 3.41Å; I3886-L3906 HydrophobicContact CD1-CD2 4.38Å; I3886-L3906 HydrophobicContact CG1-CB 4.31Å; I3886-L3906 HydrophobicContact CG1-CD2 4.41Å; I3886-L3908 HydrophobicContact CG2-CD1 3.71Å; I3886-L3908 HydrophobicContact CG2-CG 4.03Å |
| 3887 | T | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127 | 173.7 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | V3820 E3822 R3905 L3906 Y3907 L3908 | V3820-T3887 WeakPolarHBondContact O-CA 3.35Å; E3822-T3887 HydrophobicContact CB-CG2 4.34Å; E3822-T3887 HydrophobicContact CG-CG2 3.8Å; E3822-T3887 VanDerWaalsContact OE1-CG2 3.29Å; E3822-T3887 WeakPolarHBondContact OE1-CG2 3.3Å; E3822-T3887 VanDerWaalsContact OE2-CG2 3.29Å; E3822-T3887 WeakPolarHBondContact OE2-CG2 3.04Å; T3887-R3905 WeakPolarHBondContact OG1-CD 3.29Å; T3887-L3906 PolarHBondContact N-O 3.1Å; T3887-Y3907 HydrophobicContact CG2-CD1 3.72Å; T3887-Y3907 HydrophobicContact CG2-CE1 3.98Å; T3887-Y3907 WeakPolarHBondContact O-CA 3.28Å; T3887-L3908 PolarHBondContact O-N 3.1Å |
| 3888 | I | 93.9 | Very high | 90 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 109.9 | 177 | -57 | 170.3 | 0 | 0 | 0 | 108.6 | F3819 V3820 E3822 T3823 V3841 L3844 K3845 L3908 L3910 | F3819-I3888 HydrophobicContact CD1-CD1 4.28Å; V3820-I3888 PolarHBondContact O-N 3.18Å; E3822-I3888 PolarHBondContact N-O 3.46Å; T3823-I3888 HydrophobicContact CG2-CG2 3.79Å; V3841-I3888 HydrophobicContact CB-CD1 4.48Å; V3841-I3888 HydrophobicContact CG1-CD1 3.78Å; V3841-I3888 HydrophobicContact CG2-CD1 4.43Å; V3841-I3888 HydrophobicContact CG2-CG2 4.44Å; L3844-I3888 HydrophobicContact CD2-CD1 4.18Å; L3844-I3888 HydrophobicContact CD2-CG1 4.13Å; L3844-I3888 HydrophobicContact CD2-CG2 3.78Å; K3845-I3888 HydrophobicContact CG-CD1 4.32Å; I3888-L3908 CarbonylContact C-O 3.56Å; I3888-L3908 WeakPolarHBondContact CA-O 3.47Å; I3888-L3910 HydrophobicContact CG2-CB 4.26Å; I3888-L3910 HydrophobicContact CG2-CD1 4.36Å |
| 3889 | K | 91.3 | Very high | 90.5 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 163.4 | 174.6 | -78.7 | 177.3 | 170.7 | 173.2 | 0 | 110.7 | S3898 L3908 L3910 | K3889-S3898 PolarHBondContact NZ-OG 2.84Å; K3889-L3908 PolarHBondContact N-O 3.42Å; K3889-L3910 PolarHBondContact O-N 3.1Å |
| 3890 | P | 89.2 | Confident | 91.1 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -47.5 | 157.8 | 167.1 | -29.7 | 37 | 0 | 0 | 0 | 114 | D3892 L3910 | P3890-D3892 PolarHBondContact O-N 3.36Å; P3890-L3910 PolarHBondContact O-N 2.97Å |
| 3891 | P | 89.1 | Confident | 91.6 | Very high | 98 Ų | 98 | 49.4 Ų | 49.4 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 121.5 | -177.1 | 26.8 | -34.2 | 0 | 0 | 0 | 112.6 | L3910 | P3891-L3910 HydrophobicContact CB-CB 4.04Å; P3891-L3910 HydrophobicContact CB-CG 4.49Å; P3891-L3910 WeakPolarHBondContact CB-O 3.3Å |
| 3892 | D | 90.3 | Very high | 91.9 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | trans | -152.1 | 115.9 | 172.3 | -175.9 | -24.6 | 0 | 0 | 0 | 107.9 | P3890 H3894 H3895 P3909 Y3911 | P3890-D3892 PolarHBondContact O-N 3.36Å; D3892-H3894 WeakPolarHBondContact OD1-CA 3.35Å; D3892-H3894 WeakPolarHBondContact OD1-CB 3.08Å; D3892-H3894 PolarHBondContact OD1-N 3.04Å; D3892-H3895 HydrophobicContact CB-CB 4.07Å; D3892-H3895 PolarHBondContact OD1-N 3.22Å; D3892-P3909 HydrophobicContact CB-CB 4.45Å; D3892-P3909 WeakPolarHBondContact O-CB 3.42Å; D3892-Y3911 WeakPolarHBondContact O-CE1 3.3Å | ||
| 3893 | D | 92.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 47 Ų | 47 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -83.7 | -11.1 | 179.7 | -80 | -31 | 0 | 0 | 0 | 113.4 | Y3911 S3912 I3916 K3920 | D3893-Y3911 VanDerWaalsContact OD1-CA 3.3Å; D3893-Y3911 WeakPolarHBondContact OD1-CA 3.48Å; D3893-S3912 PolarHBondContact OD1-N 3.22Å; D3893-S3912 PolarHBondContact OD1-OG 3.06Å; D3893-S3912 WeakPolarHBondContact OD2-CB 3.4Å; D3893-S3912 PolarHBondContact OD2-OG 3.48Å; D3893-I3916 HydrophobicContact CB-CD1 4.26Å; D3893-I3916 HydrophobicContact CB-CG2 4.22Å; D3893-K3920 WeakPolarHBondContact O-CE 3.48Å |
| 3894 | H | 92.1 | Very high | 92.4 | Very high | 161 Ų | 161 | 43.2 Ų | 43.2 | 75% | 0.745 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -90.6 | -41.4 | 179.3 | -59 | -60.6 | 0 | 0 | 0 | 111.9 | D3892 K3920 | D3892-H3894 WeakPolarHBondContact OD1-CA 3.35Å; D3892-H3894 WeakPolarHBondContact OD1-CB 3.08Å; D3892-H3894 PolarHBondContact OD1-N 3.04Å; H3894-K3920 PolarHBondContact O-NZ 3.26Å |
| 3895 | H | 91.7 | Very high | 92.4 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -58.6 | 140.5 | -179.8 | -165.5 | 73.7 | 0 | 0 | 0 | 112.2 | D3892 P3909 Y3911 | D3892-H3895 HydrophobicContact CB-CB 4.07Å; D3892-H3895 PolarHBondContact OD1-N 3.22Å; H3895-P3909 HydrophobicContact CB-CG 4Å; H3895-Y3911 PolarHBondContact O-OH 3.39Å |
| 3896 | L | 92.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 152.5 | 177.5 | -78.7 | 167.8 | 0 | 0 | 0 | 111.9 | S3898 K3920 Q3923 A3924 | L3896-S3898 PolarHBondContact O-N 3.22Å; L3896-K3920 HydrophobicContact CD2-CB 4.41Å; L3896-K3920 HydrophobicContact CD2-CD 3.75Å; L3896-Q3923 HydrophobicContact CD2-CB 4.14Å; L3896-Q3923 HydrophobicContact CD2-CG 4.11Å; L3896-A3924 HydrophobicContact CD2-CB 4.49Å |
| 3897 | P | 94 | Very high | 92.3 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 137.9 | 162.3 | -27.3 | 39.2 | 0 | 0 | 0 | 110.2 | F3866 L3906 Y3907 L3908 Y3911 K3920 L3921 A3924 | F3866-P3897 HydrophobicContact CE1-CB 4.45Å; F3866-P3897 WeakPolarHBondContact CZ-O 3.29Å; P3897-L3906 HydrophobicContact CB-CD1 4.45Å; P3897-Y3907 WeakPolarHBondContact CA-O 3.33Å; P3897-L3908 HydrophobicContact CB-CD2 3.9Å; P3897-L3908 HydrophobicContact CG-CD2 3.99Å; P3897-Y3911 VanDerWaalsContact CD-OH 3.22Å; P3897-Y3911 WeakPolarHBondContact CD-OH 3.29Å; P3897-Y3911 HydrophobicContact CG-CE2 4.46Å; P3897-K3920 WeakPolarHBondContact CD-O 3.43Å; P3897-L3921 HydrophobicContact CB-CD1 4.18Å; P3897-L3921 HydrophobicContact CG-CD1 4.07Å; P3897-A3924 HydrophobicContact CB-CB 4.02Å; P3897-A3924 HydrophobicContact CG-CB 4.2Å |
| 3898 | S | 93.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.8 | -178.8 | 27.1 | 0 | 0 | 0 | 0 | 108.7 | K3889 L3896 Y3907 | K3889-S3898 PolarHBondContact NZ-OG 2.84Å; L3896-S3898 PolarHBondContact O-N 3.22Å; S3898-Y3907 PolarHBondContact N-O 3.4Å; S3898-Y3907 WeakPolarHBondContact O-CB 3.44Å; S3898-Y3907 WeakPolarHBondContact O-CD2 3.4Å; S3898-Y3907 PolarHBondContact O-N 3.34Å |
| 3899 | A | 93.2 | Very high | 92.3 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F3866 R3905 L3906 | F3866-A3899 HydrophobicContact CD1-CB 4.04Å; F3866-A3899 HydrophobicContact CE1-CB 3.83Å; F3866-A3899 HydrophobicContact CZ-CB 4.42Å; F3866-A3899 VanDerWaalsContact O-CB 3.23Å; F3866-A3899 WeakPolarHBondContact O-CB 3.43Å; A3899-R3905 CarbonylContact C-O 3.58Å; A3899-R3905 VanDerWaalsContact CA-O 3.29Å; A3899-R3905 WeakPolarHBondContact CA-O 3.43Å; A3899-L3906 HydrophobicContact CB-CD1 4.35Å |
| 3900 | N | 92.2 | Very high | 92.3 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 100.2 | 165 | -176.6 | -33.3 | 0 | 0 | 0 | 108.4 | C3902 I3903 S3904 R3905 Y3907 | N3900-C3902 VanDerWaalsContact C-N 3.29Å; N3900-C3902 PolarHBondContact O-N 3.05Å; N3900-C3902 PolarHBondContact OD1-N 3.5Å; N3900-C3902 VanDerWaalsContact OD1-N 3.09Å; N3900-I3903 HydrophobicContact CB-CD1 4.44Å; N3900-I3903 HydrophobicContact CB-CG1 3.92Å; N3900-I3903 CarbonylContact O-C 3.57Å; N3900-I3903 PolarHBondContact O-N 3.37Å; N3900-I3903 PolarHBondContact OD1-N 2.8Å; N3900-S3904 PolarHBondContact O-N 3.34Å; N3900-R3905 PolarHBondContact N-O 2.71Å; N3900-R3905 PolarHBondContact O-N 3.43Å; N3900-Y3907 HydrophobicContact CB-CE2 4.15Å |
| 3901 | T | 91.6 | Very high | 92.5 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -70.9 | -21.2 | -176.2 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | R3201 S3869 I3903 S3904 | R3201-T3901 PolarHBondContact NH2-O 3.36Å; S3869-T3901 WeakPolarHBondContact OG-CB 3.39Å; T3901-I3903 VanDerWaalsContact C-N 3.27Å; T3901-I3903 PolarHBondContact O-N 3.17Å; T3901-S3904 PolarHBondContact O-N 3.43Å |
| 3902 | C | 89.3 | Confident | 92.6 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -74.1 | -16.6 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | E3195 G3198 N3900 | E3195-C3902 PolarHBondContact O-SG 3.49Å; G3198-C3902 PolarHBondContact N-SG 3.46Å; N3900-C3902 VanDerWaalsContact C-N 3.29Å; N3900-C3902 PolarHBondContact O-N 3.05Å; N3900-C3902 PolarHBondContact OD1-N 3.5Å; N3900-C3902 VanDerWaalsContact OD1-N 3.09Å |
| 3903 | I | 90.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 41 Ų | 41 | 33% | 0.333 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -122.2 | 14.8 | 169 | 61.6 | 166.2 | 0 | 0 | 0 | 113.3 | P3882 N3900 T3901 R3905 | P3882-I3903 HydrophobicContact CG-CB 4.45Å; P3882-I3903 WeakPolarHBondContact CG-O 3.49Å; N3900-I3903 HydrophobicContact CB-CD1 4.44Å; N3900-I3903 HydrophobicContact CB-CG1 3.92Å; N3900-I3903 CarbonylContact O-C 3.57Å; N3900-I3903 PolarHBondContact O-N 3.37Å; N3900-I3903 PolarHBondContact OD1-N 2.8Å; T3901-I3903 VanDerWaalsContact C-N 3.27Å; T3901-I3903 PolarHBondContact O-N 3.17Å; I3903-R3905 HydrophobicContact CD1-CB 3.88Å; I3903-R3905 HydrophobicContact CG1-CB 3.81Å; I3903-R3905 PolarHBondContact O-N 3.14Å |
| 3904 | S | 92.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | 47.9 | -177 | -76 | 0 | 0 | 0 | 0 | 113.6 | R3201 W3867 P3884 S3885 N3900 T3901 | R3201-S3904 PolarHBondContact NH1-OG 3.38Å; R3201-S3904 PolarHBondContact NH2-OG 3.13Å; W3867-S3904 PolarHBondContact NE1-O 2.87Å; P3884-S3904 WeakPolarHBondContact CA-O 3.31Å; S3885-S3904 PolarHBondContact N-O 3.23Å; N3900-S3904 PolarHBondContact O-N 3.34Å; T3901-S3904 PolarHBondContact O-N 3.43Å |
| 3905 | R | 94.3 | Very high | 93 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 26% | 0.26 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.2 | -177.2 | -177.1 | 169.4 | -71.7 | 177.5 | 2.9 | 111.9 | S3885 T3887 A3899 N3900 I3903 Y3907 | S3885-R3905 CarbonylContact O-C 3.41Å; S3885-R3905 VanDerWaalsContact O-CA 3.31Å; S3885-R3905 WeakPolarHBondContact O-CA 3.38Å; S3885-R3905 PolarHBondContact OG-NE 3.45Å; S3885-R3905 VanDerWaalsContact OG-NE 3.13Å; T3887-R3905 WeakPolarHBondContact OG1-CD 3.29Å; A3899-R3905 CarbonylContact C-O 3.58Å; A3899-R3905 VanDerWaalsContact CA-O 3.29Å; A3899-R3905 WeakPolarHBondContact CA-O 3.43Å; N3900-R3905 PolarHBondContact N-O 2.71Å; N3900-R3905 PolarHBondContact O-N 3.43Å; I3903-R3905 HydrophobicContact CD1-CB 3.88Å; I3903-R3905 HydrophobicContact CG1-CB 3.81Å; I3903-R3905 PolarHBondContact O-N 3.14Å; R3905-Y3907 WeakPolarHBondContact CD-OH 3.22Å; R3905-Y3907 HydrophobicContact CG-CE1 4.17Å; R3905-Y3907 HydrophobicContact CG-CE2 4.08Å |
| 3906 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.9 | 169.8 | -177.7 | 66.1 | 0 | 0 | 0 | 109.1 | F3848 F3866 W3867 S3885 I3886 T3887 P3897 A3899 L3908 | F3848-L3906 HydrophobicContact CE2-CD2 3.99Å; F3848-L3906 HydrophobicContact CZ-CD2 4.13Å; F3866-L3906 HydrophobicContact CD1-CD1 4Å; F3866-L3906 HydrophobicContact CE1-CD1 3.77Å; W3867-L3906 HydrophobicContact CD2-CB 4.13Å; W3867-L3906 HydrophobicContact CD2-CD2 4.48Å; W3867-L3906 HydrophobicContact CG-CB 3.99Å; S3885-L3906 PolarHBondContact O-N 3.33Å; I3886-L3906 CarbonylContact C-O 3.54Å; I3886-L3906 WeakPolarHBondContact CA-O 3.41Å; I3886-L3906 HydrophobicContact CD1-CD2 4.38Å; I3886-L3906 HydrophobicContact CG1-CB 4.31Å; I3886-L3906 HydrophobicContact CG1-CD2 4.41Å; T3887-L3906 PolarHBondContact N-O 3.1Å; P3897-L3906 HydrophobicContact CB-CD1 4.45Å; A3899-L3906 HydrophobicContact CB-CD1 4.35Å; L3906-L3908 HydrophobicContact CD2-CD1 4.33Å; L3906-L3908 HydrophobicContact CD2-CD2 4.04Å; L3906-L3908 HydrophobicContact CD2-CG 4.14Å; L3906-L3908 HydrophobicContact CG-CD2 4.14Å; L3906-L3908 HydrophobicContact CG-CG 4.19Å |
| 3907 | Y | 95.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 18% | 0.184 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.5 | 174 | -60.8 | -86.9 | 0 | 0 | 0 | 109.2 | T3887 P3897 S3898 N3900 R3905 | T3887-Y3907 HydrophobicContact CG2-CD1 3.72Å; T3887-Y3907 HydrophobicContact CG2-CE1 3.98Å; T3887-Y3907 WeakPolarHBondContact O-CA 3.28Å; P3897-Y3907 WeakPolarHBondContact CA-O 3.33Å; S3898-Y3907 PolarHBondContact N-O 3.4Å; S3898-Y3907 WeakPolarHBondContact O-CB 3.44Å; S3898-Y3907 WeakPolarHBondContact O-CD2 3.4Å; S3898-Y3907 PolarHBondContact O-N 3.34Å; N3900-Y3907 HydrophobicContact CB-CE2 4.15Å; R3905-Y3907 WeakPolarHBondContact CD-OH 3.22Å; R3905-Y3907 HydrophobicContact CG-CE1 4.17Å; R3905-Y3907 HydrophobicContact CG-CE2 4.08Å |
| 3908 | L | 94.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122 | 177.2 | -64.3 | 178.8 | 0 | 0 | 0 | 109.8 | F3848 I3886 T3887 I3888 K3889 P3897 L3906 L3921 | F3848-L3908 HydrophobicContact CD2-CD1 3.61Å; F3848-L3908 HydrophobicContact CE2-CD1 3.95Å; F3848-L3908 HydrophobicContact CG-CD1 4.27Å; I3886-L3908 HydrophobicContact CG2-CD1 3.71Å; I3886-L3908 HydrophobicContact CG2-CG 4.03Å; T3887-L3908 PolarHBondContact O-N 3.1Å; I3888-L3908 CarbonylContact C-O 3.56Å; I3888-L3908 WeakPolarHBondContact CA-O 3.47Å; K3889-L3908 PolarHBondContact N-O 3.42Å; P3897-L3908 HydrophobicContact CB-CD2 3.9Å; P3897-L3908 HydrophobicContact CG-CD2 3.99Å; L3906-L3908 HydrophobicContact CD2-CD1 4.33Å; L3906-L3908 HydrophobicContact CD2-CD2 4.04Å; L3906-L3908 HydrophobicContact CD2-CG 4.14Å; L3906-L3908 HydrophobicContact CG-CD2 4.14Å; L3906-L3908 HydrophobicContact CG-CG 4.19Å; L3908-L3921 HydrophobicContact CD2-CD1 4.48Å |
| 3909 | P | 93.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 152.3 | 160.6 | -25.3 | 35 | 0 | 0 | 0 | 112.3 | D3892 H3895 Y3911 | D3892-P3909 HydrophobicContact CB-CB 4.45Å; D3892-P3909 WeakPolarHBondContact O-CB 3.42Å; H3895-P3909 HydrophobicContact CB-CG 4Å; P3909-Y3911 HydrophobicContact CB-CD1 4.42Å; P3909-Y3911 HydrophobicContact CB-CE1 4.02Å; P3909-Y3911 HydrophobicContact CB-CE2 4.18Å; P3909-Y3911 WeakPolarHBondContact CD-OH 3.33Å; P3909-Y3911 HydrophobicContact CG-CE1 4.2Å; P3909-Y3911 HydrophobicContact CG-CE2 4.26Å; P3909-Y3911 WeakPolarHBondContact CG-OH 3.36Å; P3909-Y3911 VanDerWaalsContact O-CD2 3.28Å; P3909-Y3911 WeakPolarHBondContact O-CD2 3.4Å; P3909-Y3911 PolarHBondContact O-N 3.3Å |
| 3910 | L | 91.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | trans | -76.8 | 74.1 | 172.4 | -176.7 | 63.3 | 0 | 0 | 0 | 110.4 | T3823 L3840 L3844 I3888 K3889 P3890 P3891 | T3823-L3910 HydrophobicContact CG2-CB 4.5Å; T3823-L3910 HydrophobicContact CG2-CD2 4.19Å; L3840-L3910 HydrophobicContact CB-CD1 4.37Å; L3840-L3910 HydrophobicContact CB-CD2 4.37Å; L3844-L3910 HydrophobicContact CB-CD1 4.05Å; L3844-L3910 HydrophobicContact CD2-CD1 3.97Å; L3844-L3910 HydrophobicContact CG-CD1 4.42Å; I3888-L3910 HydrophobicContact CG2-CB 4.26Å; I3888-L3910 HydrophobicContact CG2-CD1 4.36Å; K3889-L3910 PolarHBondContact O-N 3.1Å; P3890-L3910 PolarHBondContact O-N 2.97Å; P3891-L3910 HydrophobicContact CB-CB 4.04Å; P3891-L3910 HydrophobicContact CB-CG 4.49Å; P3891-L3910 WeakPolarHBondContact CB-O 3.3Å | ||
| 3911 | Y | 94 | Very high | 93.7 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | trans | -57.8 | 138.4 | -178.8 | -66.2 | -67.1 | 0 | 0 | 0 | 113.2 | D3892 D3893 H3895 P3897 P3909 S3913 I3916 L3917 K3920 | D3892-Y3911 WeakPolarHBondContact O-CE1 3.3Å; D3893-Y3911 VanDerWaalsContact OD1-CA 3.3Å; D3893-Y3911 WeakPolarHBondContact OD1-CA 3.48Å; H3895-Y3911 PolarHBondContact O-OH 3.39Å; P3897-Y3911 VanDerWaalsContact CD-OH 3.22Å; P3897-Y3911 WeakPolarHBondContact CD-OH 3.29Å; P3897-Y3911 HydrophobicContact CG-CE2 4.46Å; P3909-Y3911 HydrophobicContact CB-CD1 4.42Å; P3909-Y3911 HydrophobicContact CB-CE1 4.02Å; P3909-Y3911 HydrophobicContact CB-CE2 4.18Å; P3909-Y3911 WeakPolarHBondContact CD-OH 3.33Å; P3909-Y3911 HydrophobicContact CG-CE1 4.2Å; P3909-Y3911 HydrophobicContact CG-CE2 4.26Å; P3909-Y3911 WeakPolarHBondContact CG-OH 3.36Å; P3909-Y3911 VanDerWaalsContact O-CD2 3.28Å; P3909-Y3911 WeakPolarHBondContact O-CD2 3.4Å; P3909-Y3911 PolarHBondContact O-N 3.3Å; Y3911-S3913 VanDerWaalsContact C-N 3.29Å; Y3911-S3913 PolarHBondContact O-N 3.32Å; Y3911-I3916 HydrophobicContact CD1-CG2 3.6Å; Y3911-I3916 HydrophobicContact CE1-CG2 4.14Å; Y3911-I3916 HydrophobicContact CG-CG2 4.33Å; Y3911-L3917 HydrophobicContact CD2-CB 3.95Å; Y3911-L3917 HydrophobicContact CD2-CD1 3.67Å; Y3911-L3917 HydrophobicContact CD2-CG 4.39Å; Y3911-L3917 HydrophobicContact CE2-CD1 4Å; Y3911-L3917 HydrophobicContact CG-CB 4.27Å; Y3911-K3920 HydrophobicContact CE1-CB 4.2Å; Y3911-K3920 HydrophobicContact CE1-CG 3.99Å | ||
| 3912 | S | 91.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -67.3 | -27.1 | -177.6 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | D3893 | D3893-S3912 PolarHBondContact OD1-N 3.22Å; D3893-S3912 PolarHBondContact OD1-OG 3.06Å; D3893-S3912 WeakPolarHBondContact OD2-CB 3.4Å; D3893-S3912 PolarHBondContact OD2-OG 3.48Å |
| 3913 | S | 93.9 | Very high | 94 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -140.3 | 152.4 | -178.6 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | Y3911 H3915 I3916 L3917 | Y3911-S3913 VanDerWaalsContact C-N 3.29Å; Y3911-S3913 PolarHBondContact O-N 3.32Å; S3913-H3915 PolarHBondContact O-N 3.18Å; S3913-I3916 PolarHBondContact O-N 2.87Å; S3913-I3916 WeakPolarHBondContact OG-CG1 3.28Å; S3913-I3916 PolarHBondContact OG-N 3.33Å; S3913-L3917 PolarHBondContact O-N 3.16Å; S3913-L3917 VanDerWaalsContact O-N 3.09Å |
| 3914 | R | 94.1 | Very high | 94.1 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -27.9 | 172.4 | -176.1 | 175.3 | 173.9 | -146 | -4.4 | 112.8 | W3847 C3850 T3851 R3918 | W3847-R3914 HydrophobicContact CB-CB 4.22Å; W3847-R3914 HydrophobicContact CB-CG 4.09Å; W3847-R3914 HydrophobicContact CD2-CB 3.77Å; W3847-R3914 HydrophobicContact CE3-CB 4.14Å; W3847-R3914 HydrophobicContact CG-CB 3.84Å; W3847-R3914 HydrophobicContact CG-CG 4.14Å; C3850-R3914 VanDerWaalsContact C-NH2 3.29Å; C3850-R3914 PolarHBondContact O-NH2 3.43Å; T3851-R3914 PolarHBondContact OG1-NE 3.09Å; T3851-R3914 VanDerWaalsContact OG1-NE 3.16Å; R3914-R3918 PolarHBondContact O-N 2.99Å |
| 3915 | H | 95 | Very high | 94.1 | Very high | 158 Ų | 158 | 45.1 Ų | 45.1 | 73% | 0.731 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -72.8 | -47.4 | -177.8 | -146.3 | 76 | 0 | 0 | 0 | 110.6 | S3913 L3917 R3918 D3919 | S3913-H3915 PolarHBondContact O-N 3.18Å; H3915-L3917 PolarHBondContact O-N 3.25Å; H3915-R3918 PolarHBondContact O-N 3.33Å; H3915-R3918 VanDerWaalsContact O-N 3.14Å; H3915-D3919 WeakPolarHBondContact O-CB 3.41Å; H3915-D3919 PolarHBondContact O-N 3.14Å |
| 3916 | I | 95.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -45.3 | 172.9 | -63.1 | 167.1 | 0 | 0 | 0 | 110.4 | D3893 Y3911 S3913 R3918 D3919 K3920 | D3893-I3916 HydrophobicContact CB-CD1 4.26Å; D3893-I3916 HydrophobicContact CB-CG2 4.22Å; Y3911-I3916 HydrophobicContact CD1-CG2 3.6Å; Y3911-I3916 HydrophobicContact CE1-CG2 4.14Å; Y3911-I3916 HydrophobicContact CG-CG2 4.33Å; S3913-I3916 PolarHBondContact O-N 2.87Å; S3913-I3916 WeakPolarHBondContact OG-CG1 3.28Å; S3913-I3916 PolarHBondContact OG-N 3.33Å; I3916-R3918 VanDerWaalsContact C-N 3.31Å; I3916-R3918 PolarHBondContact O-N 2.94Å; I3916-D3919 PolarHBondContact O-N 2.91Å; I3916-K3920 HydrophobicContact CG2-CG 3.92Å; I3916-K3920 VanDerWaalsContact O-CB 3.28Å; I3916-K3920 WeakPolarHBondContact O-CB 3.42Å; I3916-K3920 WeakPolarHBondContact O-CG 3.33Å; I3916-K3920 PolarHBondContact O-N 2.87Å |
| 3917 | L | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.8 | -42.6 | 174.1 | 169.7 | 65 | 0 | 0 | 0 | 112.5 | L3844 W3847 F3848 Y3911 S3913 H3915 L3921 | L3844-L3917 HydrophobicContact CD1-CD2 4.11Å; W3847-L3917 HydrophobicContact CB-CD2 3.89Å; F3848-L3917 HydrophobicContact CB-CD2 4.41Å; Y3911-L3917 HydrophobicContact CD2-CB 3.95Å; Y3911-L3917 HydrophobicContact CD2-CD1 3.67Å; Y3911-L3917 HydrophobicContact CD2-CG 4.39Å; Y3911-L3917 HydrophobicContact CE2-CD1 4Å; Y3911-L3917 HydrophobicContact CG-CB 4.27Å; S3913-L3917 PolarHBondContact O-N 3.16Å; S3913-L3917 VanDerWaalsContact O-N 3.09Å; H3915-L3917 PolarHBondContact O-N 3.25Å; L3917-L3921 WeakPolarHBondContact O-CB 3.17Å; L3917-L3921 PolarHBondContact O-N 2.86Å; L3917-L3921 VanDerWaalsContact O-N 3.1Å |
| 3918 | R | 95.2 | Very high | 92 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 178.5 | 178.4 | 174.4 | 173.3 | 103.7 | 6.4 | 111.3 | T3851 S3854 R3914 H3915 I3916 L3921 L3922 | T3851-R3918 HydrophobicContact CG2-CB 3.82Å; T3851-R3918 HydrophobicContact CG2-CG 3.88Å; S3854-R3918 PolarHBondContact O-NH1 3.47Å; S3854-R3918 PolarHBondContact OG-NH1 3.09Å; R3914-R3918 PolarHBondContact O-N 2.99Å; H3915-R3918 PolarHBondContact O-N 3.33Å; H3915-R3918 VanDerWaalsContact O-N 3.14Å; I3916-R3918 VanDerWaalsContact C-N 3.31Å; I3916-R3918 PolarHBondContact O-N 2.94Å; R3918-L3921 PolarHBondContact O-N 3.3Å; R3918-L3922 HydrophobicContact CG-CD1 3.8Å; R3918-L3922 HydrophobicContact CG-CG 4.37Å; R3918-L3922 WeakPolarHBondContact O-CB 3.25Å; R3918-L3922 VanDerWaalsContact O-CG 3.29Å; R3918-L3922 WeakPolarHBondContact O-CG 3.17Å; R3918-L3922 PolarHBondContact O-N 3Å |
| 3919 | D | 95.3 | Very high | 90.6 | Very high | 100 Ų | 100 | 55.1 Ų | 55.1 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -53.2 | -178.6 | -174.1 | 58.7 | 0 | 0 | 0 | 111.5 | H3915 I3916 L3921 L3922 Q3923 | H3915-D3919 WeakPolarHBondContact O-CB 3.41Å; H3915-D3919 PolarHBondContact O-N 3.14Å; I3916-D3919 PolarHBondContact O-N 2.91Å; D3919-L3921 VanDerWaalsContact C-N 3.32Å; D3919-L3921 PolarHBondContact O-N 3.34Å; D3919-L3922 PolarHBondContact O-N 2.69Å; D3919-Q3923 WeakPolarHBondContact O-CB 3.28Å; D3919-Q3923 PolarHBondContact O-N 3.45Å |
| 3920 | K | 95.1 | Very high | 89 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -35.2 | 177.8 | -68.6 | -74.6 | 174.3 | 175.7 | 0 | 113.3 | D3893 H3894 L3896 P3897 Y3911 I3916 A3924 | D3893-K3920 WeakPolarHBondContact O-CE 3.48Å; H3894-K3920 PolarHBondContact O-NZ 3.26Å; L3896-K3920 HydrophobicContact CD2-CB 4.41Å; L3896-K3920 HydrophobicContact CD2-CD 3.75Å; P3897-K3920 WeakPolarHBondContact CD-O 3.43Å; Y3911-K3920 HydrophobicContact CE1-CB 4.2Å; Y3911-K3920 HydrophobicContact CE1-CG 3.99Å; I3916-K3920 HydrophobicContact CG2-CG 3.92Å; I3916-K3920 VanDerWaalsContact O-CB 3.28Å; I3916-K3920 WeakPolarHBondContact O-CB 3.42Å; I3916-K3920 WeakPolarHBondContact O-CG 3.33Å; I3916-K3920 PolarHBondContact O-N 2.87Å; K3920-A3924 WeakPolarHBondContact O-CB 3.37Å; K3920-A3924 PolarHBondContact O-N 2.85Å |
| 3921 | L | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72 | -41.8 | 176 | -170.7 | 63.6 | 0 | 0 | 0 | 112.1 | F3848 M3855 L3863 P3897 L3908 L3917 R3918 D3919 Q3923 A3924 I3925 | F3848-L3921 HydrophobicContact CD2-CD2 4.23Å; F3848-L3921 HydrophobicContact CE2-CD2 3.93Å; M3855-L3921 HydrophobicContact CE-CD2 3.74Å; M3855-L3921 HydrophobicContact CE-CG 4.02Å; L3863-L3921 HydrophobicContact CD1-CD1 3.87Å; L3863-L3921 HydrophobicContact CD1-CD2 4.44Å; L3863-L3921 HydrophobicContact CD1-CG 4.35Å; P3897-L3921 HydrophobicContact CB-CD1 4.18Å; P3897-L3921 HydrophobicContact CG-CD1 4.07Å; L3908-L3921 HydrophobicContact CD2-CD1 4.48Å; L3917-L3921 WeakPolarHBondContact O-CB 3.17Å; L3917-L3921 PolarHBondContact O-N 2.86Å; L3917-L3921 VanDerWaalsContact O-N 3.1Å; R3918-L3921 PolarHBondContact O-N 3.3Å; D3919-L3921 VanDerWaalsContact C-N 3.32Å; D3919-L3921 PolarHBondContact O-N 3.34Å; L3921-Q3923 VanDerWaalsContact C-N 3.34Å; L3921-A3924 PolarHBondContact O-N 3.43Å; L3921-I3925 HydrophobicContact CD1-CG2 4.43Å; L3921-I3925 WeakPolarHBondContact O-CG1 3.42Å; L3921-I3925 WeakPolarHBondContact O-CG2 3.4Å; L3921-I3925 PolarHBondContact O-N 2.57Å; L3921-I3925 VanDerWaalsContact O-N 3.1Å |
| 3922 | L | 94.6 | Very high | 84.8 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 173.8 | -71.6 | 172.4 | 0 | 0 | 0 | 111.7 | M3855 Q3859 R3918 D3919 I3925 G3926 | M3855-L3922 HydrophobicContact CE-CD2 3.92Å; M3855-L3922 HydrophobicContact CE-CG 4.42Å; Q3859-L3922 HydrophobicContact CG-CD2 4.19Å; R3918-L3922 HydrophobicContact CG-CD1 3.8Å; R3918-L3922 HydrophobicContact CG-CG 4.37Å; R3918-L3922 WeakPolarHBondContact O-CB 3.25Å; R3918-L3922 VanDerWaalsContact O-CG 3.29Å; R3918-L3922 WeakPolarHBondContact O-CG 3.17Å; R3918-L3922 PolarHBondContact O-N 3Å; D3919-L3922 PolarHBondContact O-N 2.69Å; L3922-I3925 HydrophobicContact CD2-CD1 4.14Å; L3922-G3926 PolarHBondContact O-N 2.84Å |
| 3923 | Q | 93.1 | Very high | 82.2 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.5 | -172.1 | 174.8 | 25.9 | 0 | 0 | 112 | L3896 D3919 L3921 | L3896-Q3923 HydrophobicContact CD2-CB 4.14Å; L3896-Q3923 HydrophobicContact CD2-CG 4.11Å; D3919-Q3923 WeakPolarHBondContact O-CB 3.28Å; D3919-Q3923 PolarHBondContact O-N 3.45Å; L3921-Q3923 VanDerWaalsContact C-N 3.34Å |
| 3924 | A | 92.8 | Very high | 81.6 | Confident | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.7 | -49.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F3866 L3896 P3897 K3920 L3921 G3926 T3927 | F3866-A3924 HydrophobicContact CE1-CB 4.41Å; F3866-A3924 HydrophobicContact CE2-CB 4.2Å; F3866-A3924 HydrophobicContact CZ-CB 3.96Å; L3896-A3924 HydrophobicContact CD2-CB 4.49Å; P3897-A3924 HydrophobicContact CB-CB 4.02Å; P3897-A3924 HydrophobicContact CG-CB 4.2Å; K3920-A3924 WeakPolarHBondContact O-CB 3.37Å; K3920-A3924 PolarHBondContact O-N 2.85Å; L3921-A3924 PolarHBondContact O-N 3.43Å; A3924-G3926 PolarHBondContact O-N 3.24Å; A3924-T3927 PolarHBondContact O-N 2.66Å; A3924-T3927 PolarHBondContact O-OG1 2.78Å |
| 3925 | I | 92.4 | Very high | 80.9 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 5% | 0.046 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.5 | -17.9 | -178 | 71.1 | 177.3 | 0 | 0 | 0 | 113.1 | M3855 Q3859 D3862 L3863 F3866 L3921 L3922 T3927 | M3855-I3925 HydrophobicContact CE-CD1 4.13Å; Q3859-I3925 HydrophobicContact CB-CD1 4.36Å; Q3859-I3925 WeakPolarHBondContact O-CD1 3.33Å; D3862-I3925 HydrophobicContact CB-CB 4.41Å; L3863-I3925 HydrophobicContact CB-CD1 4.28Å; L3863-I3925 HydrophobicContact CB-CG2 3.97Å; L3863-I3925 HydrophobicContact CD1-CG2 3.73Å; L3863-I3925 HydrophobicContact CG-CG2 4.48Å; F3866-I3925 HydrophobicContact CB-CG2 4.07Å; F3866-I3925 HydrophobicContact CD1-CG2 4.45Å; F3866-I3925 HydrophobicContact CG-CG2 4.24Å; L3921-I3925 HydrophobicContact CD1-CG2 4.43Å; L3921-I3925 WeakPolarHBondContact O-CG1 3.42Å; L3921-I3925 WeakPolarHBondContact O-CG2 3.4Å; L3921-I3925 PolarHBondContact O-N 2.57Å; L3921-I3925 VanDerWaalsContact O-N 3.1Å; L3922-I3925 HydrophobicContact CD2-CD1 4.14Å; I3925-T3927 PolarHBondContact O-N 3.37Å |
| 3926 | G | 86.8 | Confident | 80.2 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L3922 A3924 | L3922-G3926 PolarHBondContact O-N 2.84Å; A3924-G3926 PolarHBondContact O-N 3.24Å |
| 3927 | T | 83.4 | Confident | 79.3 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | trans | -94.2 | 129.6 | 177.4 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | A3924 I3925 | A3924-T3927 PolarHBondContact O-N 2.66Å; A3924-T3927 PolarHBondContact O-OG1 2.78Å; I3925-T3927 PolarHBondContact O-N 3.37Å | ||
| 3928 | K | 70.2 | Confident | 78.3 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | trans | -106.3 | 5.6 | -179 | -67.4 | -159.1 | 170.2 | -155.4 | 0 | 114.4 | D3862 | D3862-K3928 IonicContact OD1-NZ 3.67Š| ||
| 3929 | S | 65.3 | Low | 77.1 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | trans | -82.2 | 138.9 | -178.9 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3930 | F | 59.7 | Low | 75.8 | Confident | 59 Ų | 59 | 74 Ų | 74 | 26% | 0.259 | 42% | 0.421 | S | S | . | . | trans | -93 | 132.2 | 171.8 | -73 | -89.3 | 0 | 0 | 0 | 111.4 | S3202 Y3865 | S3202-F3930 WeakPolarHBondContact OG-CE2 3.47Å; S3202-F3930 WeakPolarHBondContact OG-CZ 3.34Å; Y3865-F3930 HydrophobicContact CE1-CZ 4.35Å; Y3865-F3930 AromaticContact CZ-CZ 3.95Å; Y3865-F3930 WeakPolarHBondContact OH-CE2 3.47Å | ||
| 3931 | G | 53.5 | Low | 74.4 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 156 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 3932 | F | 44.1 | Very low | 72.7 | Confident | 223 Ų | 223 | 83.3 Ų | 83.3 | 98% | 0.978 | 48% | 0.478 | S | S | * | . | trans | -80.1 | 112.8 | 158.9 | -81.3 | -87.2 | 0 | 0 | 0 | 107.9 | ||||
| 3933 | V | 36.1 | Very low | 70.7 | Confident | 169 Ų | 169 | 86.1 Ų | 86.1 | 100% | 1.024 | 50% | 0.497 | S | S | * | . | trans | -101.8 | 0 | 171.4 | -173.7 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 3,933 of 3,933 residues in 1505.6 ms
(Link to these results)