| 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 | 65.1 | Low | 91.3 | Very high | 153 Ų | 153 | 40.7 Ų | 40.7 | 75% | 0.754 | 22% | 0.221 | S | C | * | . | 0 | 150.4 | 0 | -104.8 | 125.2 | 85.4 | 0 | 0 | 108.6 | I32 | M1-I32 HydrophobicContact CE-CB 4.35Å; M1-I32 HydrophobicContact CE-CD1 3.54Å; M1-I32 HydrophobicContact CE-CG1 3.58Å; M1-I32 HydrophobicContact CE-CG2 3.85Å | |||
| 2 | G | 83.1 | Confident | 91.4 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | trans | -72 | -175.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | K | 93.2 | Very high | 91.6 | Very high | 69 Ų | 69 | 38 Ų | 38 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | trans | -65.2 | 133.1 | 169.4 | -176.7 | -175.7 | 179.3 | -166.7 | 0 | 109.5 | L5 D33 E35 E67 T68 | K3-L5 HydrophobicContact CD-CD2 4.5Å; K3-D33 CarbonylContact C-O 3.45Å; K3-D33 WeakPolarHBondContact CA-O 3.1Å; K3-E35 WeakPolarHBondContact CE-OE2 3.37Å; K3-E35 IonicContact NZ-OE2 3.84Å; K3-E35 PolarHBondContact NZ-OE2 2.98Å; K3-E67 IonicContact NZ-OE2 3.4Å; K3-T68 VanDerWaalsContact O-CB 3.26Å; K3-T68 WeakPolarHBondContact O-CB 3.49Å; K3-T68 PolarHBondContact O-OG1 2.74Å | ||
| 4 | V | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.3 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | I32 D33 A34 E35 E70 M72 L92 | V4-I32 HydrophobicContact CG2-CG2 4.16Å; V4-D33 PolarHBondContact N-O 3.12Å; V4-A34 CarbonylContact O-C 3.55Å; V4-A34 VanDerWaalsContact O-CA 3.28Å; V4-A34 WeakPolarHBondContact O-CA 3.4Å; V4-E35 PolarHBondContact O-N 2.88Å; V4-E70 HydrophobicContact CG2-CB 4.22Å; V4-M72 HydrophobicContact CG1-CE 4.22Å; V4-M72 HydrophobicContact CG1-CG 3.81Å; V4-M72 HydrophobicContact CG1-SD 4.23Å; V4-L92 HydrophobicContact CG1-CD1 4.36Å; V4-L92 HydrophobicContact CG2-CD1 3.97Å |
| 5 | L | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 138.1 | 172.2 | -59.6 | -170.5 | 0 | 0 | 0 | 110.6 | K3 E35 V37 I64 T68 E70 V71 M72 | K3-L5 HydrophobicContact CD-CD2 4.5Å; L5-E35 WeakPolarHBondContact CA-O 3.43Å; L5-E35 HydrophobicContact CD2-CB 3.8Å; L5-E35 HydrophobicContact CD2-CG 4.42Å; L5-E35 WeakPolarHBondContact CD2-OE2 3.2Å; L5-V37 HydrophobicContact CB-CG2 4.12Å; L5-V37 HydrophobicContact CD1-CG1 4.26Å; L5-V37 HydrophobicContact CD1-CG2 4.34Å; L5-V37 HydrophobicContact CD2-CG1 4.06Å; L5-I64 HydrophobicContact CB-CD1 4.34Å; L5-I64 HydrophobicContact CD1-CB 4.39Å; L5-I64 HydrophobicContact CD1-CD1 4.16Å; L5-I64 HydrophobicContact CD1-CG1 3.91Å; L5-I64 HydrophobicContact CD1-CG2 3.82Å; L5-I64 HydrophobicContact CG-CG2 4.44Å; L5-T68 HydrophobicContact CB-CG2 4.37Å; L5-T68 HydrophobicContact CD1-CG2 4.25Å; L5-T68 HydrophobicContact CG-CG2 3.79Å; L5-E70 PolarHBondContact N-O 2.92Å; L5-V71 VanDerWaalsContact O-CA 3.31Å; L5-V71 WeakPolarHBondContact O-CA 3.49Å; L5-M72 PolarHBondContact O-N 3.2Å |
| 6 | I | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.7 | 179.9 | -47.9 | -165.4 | 0 | 0 | 0 | 109.1 | Y23 A24 Q27 A34 E35 A36 V37 M72 V74 | I6-Y23 HydrophobicContact CD1-CD1 3.8Å; I6-Y23 HydrophobicContact CD1-CE1 4.39Å; I6-Y23 HydrophobicContact CD1-CG 4.44Å; I6-Y23 HydrophobicContact CG2-CD1 3.88Å; I6-A24 HydrophobicContact CD1-CB 4.12Å; I6-A24 HydrophobicContact CG1-CB 4.5Å; I6-Q27 HydrophobicContact CD1-CB 4.4Å; I6-Q27 HydrophobicContact CD1-CG 3.75Å; I6-A34 HydrophobicContact CD1-CB 3.96Å; I6-A34 HydrophobicContact CG1-CB 4.36Å; I6-E35 PolarHBondContact N-O 3.15Å; I6-A36 CarbonylContact O-C 3.48Å; I6-A36 WeakPolarHBondContact O-CA 3.49Å; I6-V37 PolarHBondContact O-N 3.3Å; I6-M72 WeakPolarHBondContact CA-O 3.49Å; I6-M72 HydrophobicContact CD1-CB 4.26Å; I6-M72 HydrophobicContact CD1-SD 3.9Å; I6-M72 HydrophobicContact CG1-CB 4.06Å; I6-M72 HydrophobicContact CG1-SD 4.47Å; I6-M72 HydrophobicContact CG2-CB 4.34Å; I6-V74 HydrophobicContact CG2-CG1 3.98Å |
| 7 | F | 98.7 | Very high | 93 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 152.9 | -175.3 | 52.3 | -86.5 | 0 | 0 | 0 | 112.6 | V37 L39 I64 V71 M72 L73 V74 H76 S82 V83 I86 | F7-V37 HydrophobicContact CB-CG2 3.86Å; F7-V37 VanDerWaalsContact CB-O 3.31Å; F7-V37 WeakPolarHBondContact CB-O 2.98Å; F7-V37 HydrophobicContact CD1-CG2 4.01Å; F7-V37 HydrophobicContact CG-CG2 4.3Å; F7-L39 HydrophobicContact CD2-CD1 3.76Å; F7-L39 HydrophobicContact CD2-CD2 4.23Å; F7-L39 HydrophobicContact CD2-CG 4.04Å; F7-L39 HydrophobicContact CE2-CD1 4.14Å; F7-I64 HydrophobicContact CD1-CD1 3.59Å; F7-I64 HydrophobicContact CE1-CD1 3.19Å; F7-I64 HydrophobicContact CG-CD1 4.47Å; F7-I64 HydrophobicContact CZ-CD1 3.77Å; F7-V71 HydrophobicContact CE1-CB 3.75Å; F7-V71 HydrophobicContact CE1-CG1 3.74Å; F7-V71 HydrophobicContact CE1-CG2 4.42Å; F7-V71 HydrophobicContact CZ-CB 4.22Å; F7-V71 HydrophobicContact CZ-CG1 4.32Å; F7-V71 HydrophobicContact CZ-CG2 4.39Å; F7-M72 PolarHBondContact N-O 3.17Å; F7-L73 HydrophobicContact CD2-CD2 4.17Å; F7-L73 HydrophobicContact CE1-CD2 4.14Å; F7-L73 HydrophobicContact CE2-CD2 3.4Å; F7-L73 VanDerWaalsContact CE2-CD2 3.4Å; F7-L73 HydrophobicContact CZ-CD2 3.38Å; F7-V74 WeakPolarHBondContact O-CG2 3.31Å; F7-V74 PolarHBondContact O-N 3.04Å; F7-V74 VanDerWaalsContact O-N 3.09Å; F7-H76 AromaticContact CD2-CE1 3.98Å; F7-H76 PolarHBondContact O-CE1 3.21Å; F7-S82 WeakPolarHBondContact CE2-OG 3.31Å; F7-V83 HydrophobicContact CE2-CB 4.11Å; F7-V83 HydrophobicContact CE2-CG1 4.07Å; F7-V83 HydrophobicContact CZ-CB 4.24Å; F7-V83 HydrophobicContact CZ-CG1 3.8Å; F7-I86 HydrophobicContact CZ-CD1 4.3Å |
| 8 | G | 97.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | trans | -86.2 | -167.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | L39 V74 H76 | G8-L39 WeakPolarHBondContact O-CD1 3.2Å; G8-V74 WeakPolarHBondContact CA-O 3.3Å; G8-H76 VanDerWaalsContact C-ND1 3.31Å; G8-H76 PolarHBondContact O-CE1 3.11Å | ||
| 9 | H | 93.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | trans | -70.7 | 167.6 | -179.6 | 57.5 | 79.4 | 0 | 0 | 0 | 113.4 | N11 D13 D75 H76 Q81 | H9-N11 PolarHBondContact CE1-O 3.27Å; H9-N11 VanDerWaalsContact CE1-O 3.23Å; H9-N11 PolarHBondContact ND1-O 3.21Å; H9-D13 IonicContact NE2-OD1 3.71Å; H9-D13 IonicContact NE2-OD2 2.76Å; H9-D75 IonicContact CD2-OD2 3.33Å; H9-D75 PolarHBondContact CD2-OD2 2.97Å; H9-D75 IonicContact NE2-OD2 2.58Å; H9-D75 PolarHBondContact NE2-OD2 3.22Å; H9-H76 HydrophobicContact CB-CB 3.9Å; H9-H76 PolarHBondContact N-ND1 2.97Å; H9-Q81 CarbonylContact C-O 3.59Å; H9-Q81 WeakPolarHBondContact CA-O 3.38Å; H9-Q81 HydrophobicContact CB-CB 4.2Å | ||
| 10 | Q | 90.8 | Very high | 93.8 | Very high | 86 Ų | 86 | 24.8 Ų | 24.8 | 40% | 0.402 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -59.2 | 150.1 | 164.5 | -67.8 | -179.3 | -4.1 | 0 | 0 | 110.9 | L39 Q81 S82 | Q10-L39 HydrophobicContact CG-CB 4.13Å; Q10-L39 HydrophobicContact CG-CD1 4.03Å; Q10-Q81 WeakPolarHBondContact CG-O 3.48Å; Q10-Q81 PolarHBondContact N-O 2.98Å; Q10-S82 WeakPolarHBondContact CG-O 3.43Å; Q10-S82 PolarHBondContact NE2-O 2.76Å |
| 11 | N | 87.5 | Confident | 94.1 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 44% | 0.439 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 52.3 | 61.2 | -170 | -58.6 | -19 | 0 | 0 | 0 | 110.8 | H9 D13 | H9-N11 PolarHBondContact CE1-O 3.27Å; H9-N11 VanDerWaalsContact CE1-O 3.23Å; H9-N11 PolarHBondContact ND1-O 3.21Å; N11-D13 PolarHBondContact O-N 3.42Å |
| 12 | P | 93.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | trans | -68.1 | 135.1 | -166.7 | 30.7 | -36.5 | 0 | 0 | 0 | 111 | A16 I17 | P12-A16 HydrophobicContact CB-CB 3.83Å; P12-I17 HydrophobicContact CB-CD1 3.77Å; P12-I17 HydrophobicContact CB-CG1 3.95Å; P12-I17 HydrophobicContact CG-CD1 3.93Å; P12-I17 HydrophobicContact CG-CG1 4.3Å | ||
| 13 | D | 93.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 15.7 Ų | 15.7 | 21% | 0.214 | 8% | 0.078 | C | C | . | . | trans | -90.7 | -170.9 | 168.7 | 63.5 | 17.9 | 0 | 0 | 0 | 111.4 | H9 N11 D15 A16 I17 | H9-D13 IonicContact NE2-OD1 3.71Å; H9-D13 IonicContact NE2-OD2 2.76Å; N11-D13 PolarHBondContact O-N 3.42Å; D13-D15 VanDerWaalsContact C-N 3.33Å; D13-D15 PolarHBondContact O-N 3.39Å; D13-D15 PolarHBondContact OD1-N 2.92Å; D13-D15 VanDerWaalsContact OD1-N 3.15Å; D13-A16 WeakPolarHBondContact OD1-CB 3.49Å; D13-A16 PolarHBondContact OD1-N 3.47Å; D13-I17 PolarHBondContact O-N 3.33Å; D13-I17 VanDerWaalsContact O-N 3.15Å | ||
| 14 | T | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.8 | -30.9 | -176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | G18 E45 T46 | T14-G18 WeakPolarHBondContact O-CA 3.29Å; T14-G18 PolarHBondContact O-N 2.65Å; T14-E45 WeakPolarHBondContact CB-OE1 3.25Å; T14-E45 PolarHBondContact OG1-OE1 2.94Å; T14-T46 VanDerWaalsContact CA-OG1 3.3Å; T14-T46 WeakPolarHBondContact CA-OG1 3.42Å; T14-T46 PolarHBondContact N-OG1 3.36Å; T14-T46 PolarHBondContact OG1-N 3.19Å; T14-T46 PolarHBondContact OG1-OG1 3.42Å |
| 15 | D | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -76.9 | -43.7 | 175.2 | -166.9 | 28.6 | 0 | 0 | 0 | 111.9 | D13 I17 G18 A19 C118 T119 S120 A145 D149 | D13-D15 VanDerWaalsContact C-N 3.33Å; D13-D15 PolarHBondContact O-N 3.39Å; D13-D15 PolarHBondContact OD1-N 2.92Å; D13-D15 VanDerWaalsContact OD1-N 3.15Å; D15-I17 VanDerWaalsContact C-N 3.27Å; D15-I17 PolarHBondContact O-N 3.37Å; D15-G18 PolarHBondContact O-N 3.03Å; D15-A19 WeakPolarHBondContact O-CB 3.5Å; D15-A19 PolarHBondContact O-N 3.11Å; D15-C118 PolarHBondContact OD1-SG 3.12Å; D15-C118 PolarHBondContact OD2-SG 2.87Å; D15-T119 WeakPolarHBondContact OD2-CA 3.33Å; D15-T119 WeakPolarHBondContact OD2-CB 3.25Å; D15-T119 PolarHBondContact OD2-N 3.49Å; D15-T119 PolarHBondContact OD2-OG1 3.46Å; D15-S120 PolarHBondContact OD1-N 3.26Å; D15-S120 VanDerWaalsContact OD1-N 3.14Å; D15-S120 PolarHBondContact OD1-OG 3.03Å; D15-A145 HydrophobicContact CB-CB 3.82Å; D15-A145 WeakPolarHBondContact OD1-CB 3.29Å; D15-D149 VanDerWaalsContact CB-OD2 3.24Å; D15-D149 WeakPolarHBondContact CB-OD2 3.47Å; D15-D149 VanDerWaalsContact OD2-OD2 3.06Å |
| 16 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -51.7 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P12 D13 A20 | P12-A16 HydrophobicContact CB-CB 3.83Å; D13-A16 WeakPolarHBondContact OD1-CB 3.49Å; D13-A16 PolarHBondContact OD1-N 3.47Å; A16-A20 VanDerWaalsContact O-CB 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.47Å; A16-A20 PolarHBondContact O-N 2.97Å |
| 17 | I | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -74.4 | -46.1 | 176.1 | -64.2 | -54.7 | 0 | 0 | 0 | 111.9 | P12 D13 D15 A20 I21 A38 T46 L50 P58 | P12-I17 HydrophobicContact CB-CD1 3.77Å; P12-I17 HydrophobicContact CB-CG1 3.95Å; P12-I17 HydrophobicContact CG-CD1 3.93Å; P12-I17 HydrophobicContact CG-CG1 4.3Å; D13-I17 PolarHBondContact O-N 3.33Å; D13-I17 VanDerWaalsContact O-N 3.15Å; D15-I17 VanDerWaalsContact C-N 3.27Å; D15-I17 PolarHBondContact O-N 3.37Å; I17-A20 PolarHBondContact O-N 3.49Å; I17-I21 HydrophobicContact CG2-CD1 3.74Å; I17-I21 HydrophobicContact CG2-CG1 4.48Å; I17-I21 WeakPolarHBondContact O-CG1 3.23Å; I17-I21 PolarHBondContact O-N 2.69Å; I17-A38 HydrophobicContact CD1-CB 3.57Å; I17-T46 HydrophobicContact CB-CG2 3.7Å; I17-T46 HydrophobicContact CG1-CG2 3.82Å; I17-T46 HydrophobicContact CG2-CG2 3.79Å; I17-L50 HydrophobicContact CG2-CD2 4.4Å; I17-P58 HydrophobicContact CD1-CG 4.39Å; I17-P58 HydrophobicContact CG2-CG 4.13Å |
| 18 | G | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T14 D15 A20 I21 A22 | T14-G18 WeakPolarHBondContact O-CA 3.29Å; T14-G18 PolarHBondContact O-N 2.65Å; D15-G18 PolarHBondContact O-N 3.03Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 2.78Å; G18-I21 PolarHBondContact O-N 3.1Å; G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.29Å; G18-A22 PolarHBondContact O-N 3.01Å |
| 19 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D15 A22 Y23 V74 T119 V123 | D15-A19 WeakPolarHBondContact O-CB 3.5Å; D15-A19 PolarHBondContact O-N 3.11Å; A19-A22 PolarHBondContact O-N 2.92Å; A19-Y23 WeakPolarHBondContact O-CB 3.28Å; A19-Y23 PolarHBondContact O-N 3.36Å; A19-V74 HydrophobicContact CB-CB 3.91Å; A19-V74 HydrophobicContact CB-CG1 4.35Å; A19-V74 HydrophobicContact CB-CG2 3.99Å; A19-T119 HydrophobicContact CB-CG2 3.92Å; A19-V123 HydrophobicContact CB-CG2 4.42Å |
| 20 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A16 I17 G18 A24 A36 V74 | A16-A20 VanDerWaalsContact O-CB 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.47Å; A16-A20 PolarHBondContact O-N 2.97Å; I17-A20 PolarHBondContact O-N 3.49Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 2.78Å; A20-A24 WeakPolarHBondContact O-CB 3.42Å; A20-A24 PolarHBondContact O-N 3.27Å; A20-A36 HydrophobicContact CB-CB 4.23Å; A20-A36 WeakPolarHBondContact O-CB 3.4Å; A20-V74 HydrophobicContact CB-CG2 3.93Å |
| 21 | I | 98.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -49.4 | 175.7 | -68.8 | 168.9 | 0 | 0 | 0 | 110.8 | I17 G18 N25 A36 L50 P58 I138 I141 | I17-I21 HydrophobicContact CG2-CD1 3.74Å; I17-I21 HydrophobicContact CG2-CG1 4.48Å; I17-I21 WeakPolarHBondContact O-CG1 3.23Å; I17-I21 PolarHBondContact O-N 2.69Å; G18-I21 PolarHBondContact O-N 3.1Å; I21-N25 PolarHBondContact O-N 2.97Å; I21-A36 HydrophobicContact CG1-CB 4.28Å; I21-L50 HydrophobicContact CD1-CD2 3.71Å; I21-P58 HydrophobicContact CD1-CG 4.08Å; I21-P58 HydrophobicContact CG1-CG 3.89Å; I21-I138 HydrophobicContact CG2-CD1 3.7Å; I21-I141 HydrophobicContact CB-CG2 4.47Å; I21-I141 HydrophobicContact CD1-CG1 4.42Å; I21-I141 HydrophobicContact CG2-CG2 4.19Å |
| 22 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.1 | -41.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G18 A19 N25 L26 V123 Y127 I138 M142 | G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.29Å; G18-A22 PolarHBondContact O-N 3.01Å; A19-A22 PolarHBondContact O-N 2.92Å; A22-N25 PolarHBondContact O-N 2.78Å; A22-L26 PolarHBondContact O-N 3.1Å; A22-V123 HydrophobicContact CB-CG1 3.87Å; A22-Y127 PolarHBondContact O-OH 3.13Å; A22-I138 HydrophobicContact CB-CG2 3.68Å; A22-M142 HydrophobicContact CB-CG 3.46Å; A22-M142 VanDerWaalsContact CB-CG 3.46Å; A22-M142 HydrophobicContact CB-SD 3.71Å |
| 23 | Y | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.7 | -39.1 | 178.9 | -164 | -131 | 0 | 0 | 0 | 111.3 | I6 A19 N25 L26 Q27 M72 V74 A93 V95 L126 | I6-Y23 HydrophobicContact CD1-CD1 3.8Å; I6-Y23 HydrophobicContact CD1-CE1 4.39Å; I6-Y23 HydrophobicContact CD1-CG 4.44Å; I6-Y23 HydrophobicContact CG2-CD1 3.88Å; A19-Y23 WeakPolarHBondContact O-CB 3.28Å; A19-Y23 PolarHBondContact O-N 3.36Å; Y23-N25 VanDerWaalsContact C-N 3.3Å; Y23-N25 PolarHBondContact O-N 3.34Å; Y23-L26 HydrophobicContact CD2-CD2 4.15Å; Y23-L26 HydrophobicContact CE2-CD2 4.26Å; Y23-L26 WeakPolarHBondContact O-CB 3.29Å; Y23-L26 PolarHBondContact O-N 2.85Å; Y23-Q27 HydrophobicContact CE1-CG 4.5Å; Y23-Q27 VanDerWaalsContact O-CG 3.31Å; Y23-Q27 WeakPolarHBondContact O-CG 3.3Å; Y23-Q27 PolarHBondContact O-N 3.09Å; Y23-Q27 PolarHBondContact OH-NE2 2.85Å; Y23-M72 HydrophobicContact CD1-SD 4.48Å; Y23-M72 HydrophobicContact CE1-CB 4.11Å; Y23-M72 HydrophobicContact CE1-CG 4.49Å; Y23-M72 HydrophobicContact CE1-SD 3.74Å; Y23-V74 HydrophobicContact CD1-CG1 3.81Å; Y23-V74 HydrophobicContact CG-CG1 4.2Å; Y23-A93 HydrophobicContact CE1-CB 4.4Å; Y23-V95 HydrophobicContact CE1-CG2 3.98Å; Y23-V95 HydrophobicContact CE2-CG2 4.01Å; Y23-L126 HydrophobicContact CD2-CD1 4.36Å; Y23-L126 HydrophobicContact CE2-CD1 3.86Å |
| 24 | A | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 A20 K28 A34 A36 | I6-A24 HydrophobicContact CD1-CB 4.12Å; I6-A24 HydrophobicContact CG1-CB 4.5Å; A20-A24 WeakPolarHBondContact O-CB 3.42Å; A20-A24 PolarHBondContact O-N 3.27Å; A24-K28 WeakPolarHBondContact O-CG 3.15Å; A24-K28 PolarHBondContact O-N 3.48Å; A24-K28 VanDerWaalsContact O-N 3.12Å; A24-A34 HydrophobicContact CB-CB 4.36Å; A24-A36 HydrophobicContact CB-CB 3.87Å |
| 25 | N | 98.5 | Very high | 98 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 172.9 | -179.5 | -111.5 | 0 | 0 | 0 | 111.6 | I21 A22 Y23 Q27 K28 E29 Y127 I138 | I21-N25 PolarHBondContact O-N 2.97Å; A22-N25 PolarHBondContact O-N 2.78Å; Y23-N25 VanDerWaalsContact C-N 3.3Å; Y23-N25 PolarHBondContact O-N 3.34Å; N25-Q27 PolarHBondContact O-N 3.15Å; N25-K28 PolarHBondContact O-N 3.15Å; N25-E29 WeakPolarHBondContact O-CG 3.39Å; N25-E29 PolarHBondContact O-N 3.26Å; N25-E29 VanDerWaalsContact O-N 3.12Å; N25-Y127 WeakPolarHBondContact CB-OH 3.17Å; N25-Y127 PolarHBondContact OD1-OH 3.01Å; N25-I138 HydrophobicContact CB-CD1 4.06Å; N25-I138 HydrophobicContact CB-CG1 4.3Å |
| 26 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 176.8 | 179.2 | 61.3 | 0 | 0 | 0 | 112 | A22 Y23 K28 E29 L30 L126 Y127 I132 | A22-L26 PolarHBondContact O-N 3.1Å; Y23-L26 HydrophobicContact CD2-CD2 4.15Å; Y23-L26 HydrophobicContact CE2-CD2 4.26Å; Y23-L26 WeakPolarHBondContact O-CB 3.29Å; Y23-L26 PolarHBondContact O-N 2.85Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.88Å; L26-E29 PolarHBondContact O-N 3.19Å; L26-L30 HydrophobicContact CD1-CD1 4.38Å; L26-L30 HydrophobicContact CG-CD1 4.18Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.48Å; L26-L126 HydrophobicContact CD2-CB 3.61Å; L26-Y127 HydrophobicContact CB-CD2 4.47Å; L26-Y127 HydrophobicContact CB-CE1 4.19Å; L26-Y127 HydrophobicContact CB-CE2 3.87Å; L26-Y127 HydrophobicContact CD1-CD1 3.88Å; L26-Y127 HydrophobicContact CD1-CD2 4.43Å; L26-Y127 HydrophobicContact CD1-CE1 4.01Å; L26-Y127 HydrophobicContact CD1-CG 4.09Å; L26-Y127 HydrophobicContact CD2-CD2 4.35Å; L26-Y127 HydrophobicContact CD2-CE2 4.49Å; L26-Y127 PolarHBondContact N-OH 2.81Å; L26-Y127 VanDerWaalsContact N-OH 3.16Å; L26-I132 HydrophobicContact CD1-CB 4.29Å; L26-I132 HydrophobicContact CD1-CD1 3.58Å; L26-I132 HydrophobicContact CD1-CG2 4.45Å |
| 27 | Q | 98.2 | Very high | 98 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 178.6 | -67.5 | -54.7 | -38.4 | 0 | 0 | 112 | I6 Y23 N25 L30 G31 I32 A34 M72 | I6-Q27 HydrophobicContact CD1-CB 4.4Å; I6-Q27 HydrophobicContact CD1-CG 3.75Å; Y23-Q27 HydrophobicContact CE1-CG 4.5Å; Y23-Q27 VanDerWaalsContact O-CG 3.31Å; Y23-Q27 WeakPolarHBondContact O-CG 3.3Å; Y23-Q27 PolarHBondContact O-N 3.09Å; Y23-Q27 PolarHBondContact OH-NE2 2.85Å; N25-Q27 PolarHBondContact O-N 3.15Å; Q27-L30 CarbonylContact O-C 3.56Å; Q27-L30 PolarHBondContact O-N 2.96Å; Q27-L30 VanDerWaalsContact O-N 3.16Å; Q27-G31 PolarHBondContact O-N 3.38Å; Q27-I32 CarbonylContact C-O 3.52Å; Q27-I32 HydrophobicContact CB-CB 4.18Å; Q27-I32 HydrophobicContact CB-CG2 4.37Å; Q27-I32 WeakPolarHBondContact O-CB 3.47Å; Q27-I32 PolarHBondContact O-N 2.51Å; Q27-A34 HydrophobicContact CB-CB 3.61Å; Q27-A34 HydrophobicContact CG-CB 4.39Å; Q27-M72 HydrophobicContact CG-CE 4.48Å; Q27-M72 HydrophobicContact CG-SD 3.88Å |
| 28 | K | 97.7 | Very high | 98 | Very high | 116 Ų | 116 | 31.5 Ų | 31.5 | 50% | 0.504 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.9 | -73.6 | 177.7 | -172.2 | -178.6 | 0 | 112.7 | A24 N25 L26 L30 G31 I32 A34 | A24-K28 WeakPolarHBondContact O-CG 3.15Å; A24-K28 PolarHBondContact O-N 3.48Å; A24-K28 VanDerWaalsContact O-N 3.12Å; N25-K28 PolarHBondContact O-N 3.15Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.88Å; K28-L30 PolarHBondContact O-N 3Å; K28-G31 PolarHBondContact O-N 3.42Å; K28-I32 WeakPolarHBondContact CA-O 3.48Å; K28-A34 WeakPolarHBondContact CE-O 3.23Å; K28-A34 PolarHBondContact NZ-O 3.02Å |
| 29 | E | 97.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 32.6 Ų | 32.6 | 56% | 0.561 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -63.6 | -27.6 | 176 | -66.8 | -62.2 | 140.9 | 0 | 0 | 112 | N25 L26 G31 I132 | N25-E29 WeakPolarHBondContact O-CG 3.39Å; N25-E29 PolarHBondContact O-N 3.26Å; N25-E29 VanDerWaalsContact O-N 3.12Å; L26-E29 PolarHBondContact O-N 3.19Å; E29-G31 VanDerWaalsContact C-N 3.28Å; E29-G31 PolarHBondContact O-N 3.09Å; E29-I132 HydrophobicContact CB-CD1 3.78Å; E29-I132 HydrophobicContact CB-CG1 4.46Å; E29-I132 HydrophobicContact CB-CG2 3.99Å; E29-I132 HydrophobicContact CG-CG2 3.97Å |
| 30 | L | 96.9 | Very high | 97.7 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 39% | 0.393 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.6 | 172.6 | -65.3 | 171.8 | 0 | 0 | 0 | 114 | L26 Q27 K28 N130 I132 | L26-L30 HydrophobicContact CD1-CD1 4.38Å; L26-L30 HydrophobicContact CG-CD1 4.18Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.48Å; Q27-L30 CarbonylContact O-C 3.56Å; Q27-L30 PolarHBondContact O-N 2.96Å; Q27-L30 VanDerWaalsContact O-N 3.16Å; K28-L30 PolarHBondContact O-N 3Å; L30-N130 HydrophobicContact CD2-CB 4.2Å; L30-I132 HydrophobicContact CD2-CD1 3.71Å; L30-I132 HydrophobicContact CG-CD1 3.94Å |
| 31 | G | 96.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 73% | 0.732 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 16.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q27 K28 E29 | Q27-G31 PolarHBondContact O-N 3.38Å; K28-G31 PolarHBondContact O-N 3.42Å; E29-G31 VanDerWaalsContact C-N 3.28Å; E29-G31 PolarHBondContact O-N 3.09Å |
| 32 | I | 96.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | trans | -97.1 | 129.3 | 175.5 | -64.6 | 166 | 0 | 0 | 0 | 109.1 | M1 V4 Q27 K28 A34 | M1-I32 HydrophobicContact CE-CB 4.35Å; M1-I32 HydrophobicContact CE-CD1 3.54Å; M1-I32 HydrophobicContact CE-CG1 3.58Å; M1-I32 HydrophobicContact CE-CG2 3.85Å; V4-I32 HydrophobicContact CG2-CG2 4.16Å; Q27-I32 CarbonylContact C-O 3.52Å; Q27-I32 HydrophobicContact CB-CB 4.18Å; Q27-I32 HydrophobicContact CB-CG2 4.37Å; Q27-I32 WeakPolarHBondContact O-CB 3.47Å; Q27-I32 PolarHBondContact O-N 2.51Å; K28-I32 WeakPolarHBondContact CA-O 3.48Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 HydrophobicContact CG2-CB 4.5Å; I32-A34 PolarHBondContact O-N 3.06Å | ||
| 33 | D | 97 | Very high | 96.8 | Very high | 99 Ų | 99 | 41 Ų | 41 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | trans | -73.4 | 86.4 | 175.2 | -175 | 20.3 | 0 | 0 | 0 | 109.9 | K3 V4 | K3-D33 CarbonylContact C-O 3.45Å; K3-D33 WeakPolarHBondContact CA-O 3.1Å; V4-D33 PolarHBondContact N-O 3.12Å | ||
| 34 | A | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V4 I6 A24 Q27 K28 I32 | V4-A34 CarbonylContact O-C 3.55Å; V4-A34 VanDerWaalsContact O-CA 3.28Å; V4-A34 WeakPolarHBondContact O-CA 3.4Å; I6-A34 HydrophobicContact CD1-CB 3.96Å; I6-A34 HydrophobicContact CG1-CB 4.36Å; A24-A34 HydrophobicContact CB-CB 4.36Å; Q27-A34 HydrophobicContact CB-CB 3.61Å; Q27-A34 HydrophobicContact CG-CB 4.39Å; K28-A34 WeakPolarHBondContact CE-O 3.23Å; K28-A34 PolarHBondContact NZ-O 3.02Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 HydrophobicContact CG2-CB 4.5Å; I32-A34 PolarHBondContact O-N 3.06Å |
| 35 | E | 98.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 44 Ų | 44 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.7 | 171.3 | -177.3 | -171.8 | -168.2 | 0 | 0 | 110.1 | K3 V4 L5 I6 V37 R59 | K3-E35 WeakPolarHBondContact CE-OE2 3.37Å; K3-E35 IonicContact NZ-OE2 3.84Å; K3-E35 PolarHBondContact NZ-OE2 2.98Å; V4-E35 PolarHBondContact O-N 2.88Å; L5-E35 WeakPolarHBondContact CA-O 3.43Å; L5-E35 HydrophobicContact CD2-CB 3.8Å; L5-E35 HydrophobicContact CD2-CG 4.42Å; L5-E35 WeakPolarHBondContact CD2-OE2 3.2Å; I6-E35 PolarHBondContact N-O 3.15Å; E35-V37 HydrophobicContact CG-CG1 4.24Å; E35-R59 WeakPolarHBondContact OE1-CD 3.48Å; E35-R59 IonicContact OE1-CZ 2.84Å; E35-R59 IonicContact OE1-NE 2.76Å; E35-R59 PolarHBondContact OE1-NE 2.96Å; E35-R59 IonicContact OE1-NH2 3.13Å; E35-R59 IonicContact OE2-CZ 2.75Å; E35-R59 IonicContact OE2-NE 3.03Å; E35-R59 PolarHBondContact OE2-NE 3.32Å; E35-R59 IonicContact OE2-NH2 3.72Å; E35-R59 PolarHBondContact OE2-NH2 3.05Å |
| 36 | A | 98.5 | Very high | 96 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | I6 A20 I21 A24 P58 | I6-A36 CarbonylContact O-C 3.48Å; I6-A36 WeakPolarHBondContact O-CA 3.49Å; A20-A36 HydrophobicContact CB-CB 4.23Å; A20-A36 WeakPolarHBondContact O-CB 3.4Å; I21-A36 HydrophobicContact CG1-CB 4.28Å; A24-A36 HydrophobicContact CB-CB 3.87Å; A36-P58 HydrophobicContact CB-CG 4.4Å |
| 37 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 162.2 | 173.2 | -59.4 | 0 | 0 | 0 | 0 | 109.6 | L5 I6 F7 E35 R59 V61 I64 | L5-V37 HydrophobicContact CB-CG2 4.12Å; L5-V37 HydrophobicContact CD1-CG1 4.26Å; L5-V37 HydrophobicContact CD1-CG2 4.34Å; L5-V37 HydrophobicContact CD2-CG1 4.06Å; I6-V37 PolarHBondContact O-N 3.3Å; F7-V37 HydrophobicContact CB-CG2 3.86Å; F7-V37 VanDerWaalsContact CB-O 3.31Å; F7-V37 WeakPolarHBondContact CB-O 2.98Å; F7-V37 HydrophobicContact CD1-CG2 4.01Å; F7-V37 HydrophobicContact CG-CG2 4.3Å; E35-V37 HydrophobicContact CG-CG1 4.24Å; V37-R59 HydrophobicContact CG1-CG 3.94Å; V37-V61 HydrophobicContact CB-CG1 4.23Å; V37-V61 HydrophobicContact CB-CG2 4.08Å; V37-V61 HydrophobicContact CG1-CG1 4.33Å; V37-V61 HydrophobicContact CG2-CG2 3.79Å; V37-I64 HydrophobicContact CG2-CD1 4.47Å |
| 38 | A | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I17 G40 P58 R59 V60 V61 | I17-A38 HydrophobicContact CD1-CB 3.57Å; A38-G40 WeakPolarHBondContact CB-O 3.47Å; A38-P58 HydrophobicContact CB-CB 4.13Å; A38-R59 PolarHBondContact N-O 3.34Å; A38-V60 CarbonylContact O-C 3.46Å; A38-V60 VanDerWaalsContact O-CA 3.3Å; A38-V60 WeakPolarHBondContact O-CA 3.43Å; A38-V61 PolarHBondContact O-N 3.35Å |
| 39 | L | 96.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -97.7 | 12.3 | 174.9 | -57.8 | -173.3 | 0 | 0 | 0 | 112.8 | F7 G8 Q10 V61 S82 V83 | F7-L39 HydrophobicContact CD2-CD1 3.76Å; F7-L39 HydrophobicContact CD2-CD2 4.23Å; F7-L39 HydrophobicContact CD2-CG 4.04Å; F7-L39 HydrophobicContact CE2-CD1 4.14Å; G8-L39 WeakPolarHBondContact O-CD1 3.2Å; Q10-L39 HydrophobicContact CG-CB 4.13Å; Q10-L39 HydrophobicContact CG-CD1 4.03Å; L39-V61 HydrophobicContact CD2-CG2 3.88Å; L39-S82 VanDerWaalsContact CD1-C 3.5Å; L39-V83 HydrophobicContact CD1-CB 4.16Å; L39-V83 VanDerWaalsContact CD1-N 3.34Å; L39-V83 HydrophobicContact CD2-CB 3.86Å; L39-V83 HydrophobicContact CD2-CG2 3.92Å |
| 40 | G | 94.1 | Very high | 96 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -172.2 | 170.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A38 V60 | A38-G40 WeakPolarHBondContact CB-O 3.47Å; G40-V60 WeakPolarHBondContact O-CG2 3.45Å |
| 41 | T | 93.5 | Very high | 96 | Very high | 116 Ų | 116 | 39.2 Ų | 39.2 | 71% | 0.712 | 22% | 0.224 | S | C | * | . | P | Polyproline II helix | trans | -74.1 | 138 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 109.1 | N43 | T41-N43 PolarHBondContact O-N 2.95Š|
| 42 | P | 92.7 | Very high | 96.1 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 137.4 | 173.6 | -25.3 | 34.1 | 0 | 0 | 0 | 111.9 | T46 L50 A57 | P42-T46 HydrophobicContact CB-CG2 3.96Å; P42-L50 HydrophobicContact CB-CD1 4.17Å; P42-L50 HydrophobicContact CG-CD1 4.02Å; P42-A57 HydrophobicContact CG-CB 3.93Å |
| 43 | N | 90.2 | Very high | 96.2 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -72 | 173.6 | 171.6 | 70.6 | 33.6 | 0 | 0 | 0 | 111.1 | T41 E45 T46 Q47 | T41-N43 PolarHBondContact O-N 2.95Å; N43-E45 VanDerWaalsContact C-N 3.33Å; N43-E45 PolarHBondContact O-N 3.1Å; N43-E45 WeakPolarHBondContact OD1-CB 3.38Å; N43-E45 PolarHBondContact OD1-N 3.1Å; N43-E45 VanDerWaalsContact OD1-N 3.12Å; N43-T46 PolarHBondContact O-N 3.2Å; N43-T46 WeakPolarHBondContact OD1-CB 3.35Å; N43-T46 PolarHBondContact OD1-N 2.85Å; N43-T46 PolarHBondContact OD1-OG1 3.03Å; N43-Q47 VanDerWaalsContact O-CB 3.29Å; N43-Q47 WeakPolarHBondContact O-CB 3.31Å; N43-Q47 PolarHBondContact O-N 2.75Å |
| 44 | E | 91.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 37 Ų | 37 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.4 | -37.2 | -176.3 | -71.9 | 80 | 177.1 | 0 | 0 | 113.9 | F48 A187 K194 | E44-F48 WeakPolarHBondContact O-CB 3.26Å; E44-F48 PolarHBondContact O-N 3.4Å; E44-A187 WeakPolarHBondContact CB-O 3.45Å; E44-K194 WeakPolarHBondContact OE1-CE 3.3Å; E44-K194 IonicContact OE1-NZ 3.25Å; E44-K194 PolarHBondContact OE1-NZ 2.88Å; E44-K194 VanDerWaalsContact OE2-CE 3.32Å; E44-K194 WeakPolarHBondContact OE2-CE 3.49Å; E44-K194 IonicContact OE2-NZ 2.91Å; E44-K194 PolarHBondContact OE2-NZ 3.42Å |
| 45 | E | 93 | Very high | 96.2 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 175.9 | -176.1 | -169.2 | 75.5 | 0 | 0 | 110.6 | T14 N43 Q47 F48 A49 S148 L184 | T14-E45 WeakPolarHBondContact CB-OE1 3.25Å; T14-E45 PolarHBondContact OG1-OE1 2.94Å; N43-E45 VanDerWaalsContact C-N 3.33Å; N43-E45 PolarHBondContact O-N 3.1Å; N43-E45 WeakPolarHBondContact OD1-CB 3.38Å; N43-E45 PolarHBondContact OD1-N 3.1Å; N43-E45 VanDerWaalsContact OD1-N 3.12Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-Q47 PolarHBondContact O-N 3.19Å; E45-F48 WeakPolarHBondContact O-CB 3.25Å; E45-F48 PolarHBondContact O-N 2.87Å; E45-A49 PolarHBondContact O-N 2.78Å; E45-S148 WeakPolarHBondContact OE1-CB 3.3Å; E45-S148 PolarHBondContact OE1-OG 2.71Å; E45-L184 HydrophobicContact CG-CD1 3.61Å; E45-L184 HydrophobicContact CG-CG 3.8Å; E45-L184 VanDerWaalsContact O-CD1 3.31Å; E45-L184 WeakPolarHBondContact O-CD1 3.35Å |
| 46 | T | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 179.6 | -51.5 | 0 | 0 | 0 | 0 | 111 | T14 I17 P42 N43 F48 A49 L50 | T14-T46 VanDerWaalsContact CA-OG1 3.3Å; T14-T46 WeakPolarHBondContact CA-OG1 3.42Å; T14-T46 PolarHBondContact N-OG1 3.36Å; T14-T46 PolarHBondContact OG1-N 3.19Å; T14-T46 PolarHBondContact OG1-OG1 3.42Å; I17-T46 HydrophobicContact CB-CG2 3.7Å; I17-T46 HydrophobicContact CG1-CG2 3.82Å; I17-T46 HydrophobicContact CG2-CG2 3.79Å; P42-T46 HydrophobicContact CB-CG2 3.96Å; N43-T46 PolarHBondContact O-N 3.2Å; N43-T46 WeakPolarHBondContact OD1-CB 3.35Å; N43-T46 PolarHBondContact OD1-N 2.85Å; N43-T46 PolarHBondContact OD1-OG1 3.03Å; T46-F48 VanDerWaalsContact C-N 3.33Å; T46-F48 PolarHBondContact O-N 3.32Å; T46-A49 WeakPolarHBondContact O-CB 3.46Å; T46-A49 PolarHBondContact O-N 2.88Å; T46-L50 HydrophobicContact CG2-CD1 4.24Å; T46-L50 HydrophobicContact CG2-CG 4.49Å; T46-L50 VanDerWaalsContact O-CG 3.28Å; T46-L50 WeakPolarHBondContact O-CG 3.36Å; T46-L50 PolarHBondContact O-N 2.91Å |
| 47 | Q | 96.5 | Very high | 96.1 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.1 | -42 | 175.5 | -174.7 | 60.4 | 31.5 | 0 | 0 | 111 | N43 E45 A49 L50 E51 | N43-Q47 VanDerWaalsContact O-CB 3.29Å; N43-Q47 WeakPolarHBondContact O-CB 3.31Å; N43-Q47 PolarHBondContact O-N 2.75Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-Q47 PolarHBondContact O-N 3.19Å; Q47-A49 PolarHBondContact O-N 2.82Å; Q47-L50 PolarHBondContact O-N 2.65Å; Q47-E51 PolarHBondContact NE2-OE1 2.81Å; Q47-E51 WeakPolarHBondContact O-CB 3.39Å; Q47-E51 WeakPolarHBondContact O-CG 3.37Å; Q47-E51 PolarHBondContact O-N 3.47Å |
| 48 | F | 96.7 | Very high | 96.1 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 172.5 | 176.5 | -85.7 | 0 | 0 | 0 | 111.5 | E44 E45 T46 L50 E51 H52 Y180 D183 L184 A187 | E44-F48 WeakPolarHBondContact O-CB 3.26Å; E44-F48 PolarHBondContact O-N 3.4Å; E45-F48 WeakPolarHBondContact O-CB 3.25Å; E45-F48 PolarHBondContact O-N 2.87Å; T46-F48 VanDerWaalsContact C-N 3.33Å; T46-F48 PolarHBondContact O-N 3.32Å; F48-L50 PolarHBondContact O-N 2.95Å; F48-E51 PolarHBondContact O-N 3.37Å; F48-H52 WeakPolarHBondContact O-CB 3.28Å; F48-H52 PolarHBondContact O-N 2.91Å; F48-Y180 HydrophobicContact CE1-CD2 4.42Å; F48-Y180 AromaticContact CE1-CE2 3.84Å; F48-Y180 HydrophobicContact CE1-CE2 3.84Å; F48-D183 HydrophobicContact CE1-CB 4.33Å; F48-D183 HydrophobicContact CZ-CB 3.76Å; F48-L184 HydrophobicContact CD1-CB 4.27Å; F48-L184 HydrophobicContact CD1-CD1 3.75Å; F48-L184 HydrophobicContact CE1-CB 4.22Å; F48-L184 HydrophobicContact CE1-CD1 4.45Å; F48-A187 HydrophobicContact CB-CB 3.51Å; F48-A187 HydrophobicContact CD1-CB 4.33Å; F48-A187 HydrophobicContact CD2-CB 3.69Å; F48-A187 HydrophobicContact CE2-CB 4.48Å; F48-A187 HydrophobicContact CG-CB 3.59Å |
| 49 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E45 T46 Q47 H52 F53 I141 S144 L184 | E45-A49 PolarHBondContact O-N 2.78Å; T46-A49 WeakPolarHBondContact O-CB 3.46Å; T46-A49 PolarHBondContact O-N 2.88Å; Q47-A49 PolarHBondContact O-N 2.82Å; A49-H52 PolarHBondContact O-N 2.94Å; A49-F53 VanDerWaalsContact O-CD2 3.28Å; A49-F53 WeakPolarHBondContact O-CD2 3.31Å; A49-F53 PolarHBondContact O-N 3.02Å; A49-F53 VanDerWaalsContact O-N 3.13Å; A49-I141 HydrophobicContact CB-CD1 3.69Å; A49-S144 WeakPolarHBondContact CB-OG 3.47Å; A49-L184 HydrophobicContact CB-CD1 3.85Å |
| 50 | L | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 177.7 | -71.7 | 168.4 | 0 | 0 | 0 | 111.5 | I17 I21 P42 T46 Q47 F48 G54 L55 A57 I141 | I17-L50 HydrophobicContact CG2-CD2 4.4Å; I21-L50 HydrophobicContact CD1-CD2 3.71Å; P42-L50 HydrophobicContact CB-CD1 4.17Å; P42-L50 HydrophobicContact CG-CD1 4.02Å; T46-L50 HydrophobicContact CG2-CD1 4.24Å; T46-L50 HydrophobicContact CG2-CG 4.49Å; T46-L50 VanDerWaalsContact O-CG 3.28Å; T46-L50 WeakPolarHBondContact O-CG 3.36Å; T46-L50 PolarHBondContact O-N 2.91Å; Q47-L50 PolarHBondContact O-N 2.65Å; F48-L50 PolarHBondContact O-N 2.95Å; L50-G54 PolarHBondContact O-N 2.83Å; L50-L55 HydrophobicContact CD2-CB 3.82Å; L50-L55 PolarHBondContact O-N 2.66Å; L50-A57 HydrophobicContact CD1-CB 3.81Å; L50-I141 HydrophobicContact CD2-CD1 4.28Å |
| 51 | E | 97.8 | Very high | 96.3 | Very high | 130 Ų | 130 | 50.5 Ų | 50.5 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 178.3 | -72.6 | 177.4 | -173.3 | 0 | 0 | 111.9 | Q47 F48 F53 G54 | Q47-E51 PolarHBondContact NE2-OE1 2.81Å; Q47-E51 WeakPolarHBondContact O-CB 3.39Å; Q47-E51 WeakPolarHBondContact O-CG 3.37Å; Q47-E51 PolarHBondContact O-N 3.47Å; F48-E51 PolarHBondContact O-N 3.37Å; E51-F53 VanDerWaalsContact C-N 3.29Å; E51-F53 PolarHBondContact O-N 2.89Å; E51-G54 PolarHBondContact O-N 3.08Å |
| 52 | H | 97.7 | Very high | 96.3 | Very high | 95 Ų | 95 | 53.1 Ų | 53.1 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | -179.3 | -167.7 | 96.9 | 0 | 0 | 0 | 111.8 | F48 A49 Y180 | F48-H52 WeakPolarHBondContact O-CB 3.28Å; F48-H52 PolarHBondContact O-N 2.91Å; A49-H52 PolarHBondContact O-N 2.94Å; H52-Y180 HydrophobicContact CB-CE2 4.28Å; H52-Y180 AromaticContact CD2-CD2 3.98Å; H52-Y180 AromaticContact CD2-CE2 3.67Å; H52-Y180 AromaticContact CE1-CD2 3.83Å; H52-Y180 AromaticContact CG-CE2 3.73Å; H52-Y180 AromaticContact ND1-CE2 3.99Å; H52-Y180 AromaticContact NE2-CD2 3.73Å; H52-Y180 AromaticContact NE2-CE2 3.93Å |
| 53 | F | 98.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 3.9 | 178.8 | -63.6 | -63.9 | 0 | 0 | 0 | 114.1 | A49 E51 L55 K137 G140 A173 V175 Y180 | A49-F53 VanDerWaalsContact O-CD2 3.28Å; A49-F53 WeakPolarHBondContact O-CD2 3.31Å; A49-F53 PolarHBondContact O-N 3.02Å; A49-F53 VanDerWaalsContact O-N 3.13Å; E51-F53 VanDerWaalsContact C-N 3.29Å; E51-F53 PolarHBondContact O-N 2.89Å; F53-L55 VanDerWaalsContact C-N 3.33Å; F53-L55 HydrophobicContact CB-CD1 4.25Å; F53-L55 HydrophobicContact CB-CG 4.34Å; F53-L55 PolarHBondContact O-N 2.81Å; F53-K137 WeakPolarHBondContact O-CD 3.42Å; F53-K137 VanDerWaalsContact O-CE 3.27Å; F53-K137 WeakPolarHBondContact O-CE 3.33Å; F53-K137 WeakPolarHBondContact O-CG 3.27Å; F53-G140 VanDerWaalsContact CD2-C 3.45Å; F53-G140 WeakPolarHBondContact CE2-O 3.34Å; F53-A173 HydrophobicContact CE1-CB 4.05Å; F53-A173 HydrophobicContact CZ-CB 4.45Å; F53-V175 HydrophobicContact CE1-CG1 3.88Å; F53-V175 HydrophobicContact CZ-CG1 4.12Å; F53-Y180 HydrophobicContact CE2-CE1 4.08Å; F53-Y180 AromaticContact CE2-CE2 3.92Å; F53-Y180 HydrophobicContact CE2-CE2 3.92Å; F53-Y180 AromaticContact CE2-CZ 3.5Å; F53-Y180 VanDerWaalsContact CE2-CZ 3.5Å; F53-Y180 VanDerWaalsContact CE2-OH 3.27Å; F53-Y180 WeakPolarHBondContact CE2-OH 3.5Å; F53-Y180 HydrophobicContact CZ-CE1 4.16Å; F53-Y180 AromaticContact CZ-CE2 3.98Å; F53-Y180 HydrophobicContact CZ-CE2 3.98Å; F53-Y180 AromaticContact CZ-CZ 3.82Å |
| 54 | G | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 47.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L50 E51 K137 | L50-G54 PolarHBondContact O-N 2.83Å; E51-G54 PolarHBondContact O-N 3.08Å; G54-K137 PolarHBondContact O-NZ 3.13Å |
| 55 | L | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 148.2 | 172.9 | -70.3 | 170.3 | 0 | 0 | 0 | 109.6 | L50 F53 K137 I141 | L50-L55 HydrophobicContact CD2-CB 3.82Å; L50-L55 PolarHBondContact O-N 2.66Å; F53-L55 VanDerWaalsContact C-N 3.33Å; F53-L55 HydrophobicContact CB-CD1 4.25Å; F53-L55 HydrophobicContact CB-CG 4.34Å; F53-L55 PolarHBondContact O-N 2.81Å; L55-K137 HydrophobicContact CD2-CB 3.98Å; L55-K137 HydrophobicContact CD2-CD 4.41Å; L55-K137 HydrophobicContact CG-CB 4.3Å; L55-I141 HydrophobicContact CD1-CB 3.68Å; L55-I141 HydrophobicContact CD1-CG1 4.26Å; L55-I141 HydrophobicContact CD1-CG2 3.95Å |
| 56 | T | 97 | Very high | 97 | Very high | 131 Ų | 131 | 59.6 Ų | 59.6 | 80% | 0.804 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 134.2 | 172.5 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 57 | A | 97.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 63.8 Ų | 63.8 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 138.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P42 L50 | P42-A57 HydrophobicContact CG-CB 3.93Å; L50-A57 HydrophobicContact CD1-CB 3.81Å |
| 58 | P | 98.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 61.2 Ų | 61.2 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 145.7 | 169.9 | -23.4 | 34.8 | 0 | 0 | 0 | 110.7 | I17 I21 A36 A38 | I17-P58 HydrophobicContact CD1-CG 4.39Å; I17-P58 HydrophobicContact CG2-CG 4.13Å; I21-P58 HydrophobicContact CD1-CG 4.08Å; I21-P58 HydrophobicContact CG1-CG 3.89Å; A36-P58 HydrophobicContact CB-CG 4.4Å; A38-P58 HydrophobicContact CB-CB 4.13Å |
| 59 | R | 97.7 | Very high | 96.7 | Very high | 81 Ų | 81 | 63.7 Ų | 63.7 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 142 | 174.6 | 65 | -179.6 | 175.8 | 96.2 | 2.4 | 109.9 | E35 V37 A38 V61 E67 | E35-R59 WeakPolarHBondContact OE1-CD 3.48Å; E35-R59 IonicContact OE1-CZ 2.84Å; E35-R59 IonicContact OE1-NE 2.76Å; E35-R59 PolarHBondContact OE1-NE 2.96Å; E35-R59 IonicContact OE1-NH2 3.13Å; E35-R59 IonicContact OE2-CZ 2.75Å; E35-R59 IonicContact OE2-NE 3.03Å; E35-R59 PolarHBondContact OE2-NE 3.32Å; E35-R59 IonicContact OE2-NH2 3.72Å; E35-R59 PolarHBondContact OE2-NH2 3.05Å; V37-R59 HydrophobicContact CG1-CG 3.94Å; A38-R59 PolarHBondContact N-O 3.34Å; R59-V61 HydrophobicContact CG-CG1 4.45Å; R59-E67 IonicContact CZ-OE1 3.5Å; R59-E67 IonicContact CZ-OE2 3.54Å; R59-E67 IonicContact NH1-OE1 2.93Å; R59-E67 PolarHBondContact NH1-OE1 3.26Å; R59-E67 IonicContact NH1-OE2 2.74Å; R59-E67 PolarHBondContact NH1-OE2 2.93Å; R59-E67 IonicContact NH2-OE1 3.13Å; R59-E67 IonicContact NH2-OE2 3.52Å; R59-E67 PolarHBondContact NH2-OE2 3.05Å |
| 60 | V | 98 | Very high | 96.6 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 135.1 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | A38 G40 | A38-V60 CarbonylContact O-C 3.46Å; A38-V60 VanDerWaalsContact O-CA 3.3Å; A38-V60 WeakPolarHBondContact O-CA 3.43Å; G40-V60 WeakPolarHBondContact O-CG2 3.45Å |
| 61 | V | 97 | Very high | 96.6 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | trans | -130.5 | 143.7 | 177.3 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | V37 A38 L39 R59 I64 | V37-V61 HydrophobicContact CB-CG1 4.23Å; V37-V61 HydrophobicContact CB-CG2 4.08Å; V37-V61 HydrophobicContact CG1-CG1 4.33Å; V37-V61 HydrophobicContact CG2-CG2 3.79Å; A38-V61 PolarHBondContact O-N 3.35Å; L39-V61 HydrophobicContact CD2-CG2 3.88Å; R59-V61 HydrophobicContact CG-CG1 4.45Å; V61-I64 HydrophobicContact CG2-CD1 4.28Å; V61-I64 HydrophobicContact CG2-CG1 4.06Å | ||
| 62 | E | 94.7 | Very high | 96.6 | Very high | 170 Ų | 170 | 60.6 Ų | 60.6 | 79% | 0.794 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -99.8 | -28.3 | 175.2 | -64.5 | 179.6 | -178.9 | 0 | 0 | 112.5 | S84 | E62-S84 PolarHBondContact O-OG 3.31Š|
| 63 | K | 96.3 | Very high | 96.7 | Very high | 137 Ų | 137 | 56 Ų | 56 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | trans | -146.1 | 150.6 | -178.7 | -70.6 | -169.1 | 177.6 | -165 | 0 | 110.4 | S84 D85 | K63-S84 WeakPolarHBondContact CG-OG 3.34Å; K63-D85 WeakPolarHBondContact CA-OD1 3.36Å; K63-D85 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 64 | I | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -119.6 | -28.3 | -174.8 | -71.4 | 175.8 | 0 | 0 | 0 | 113.3 | L5 F7 V37 V61 A66 E67 T68 V71 V83 D85 L89 | L5-I64 HydrophobicContact CB-CD1 4.34Å; L5-I64 HydrophobicContact CD1-CB 4.39Å; L5-I64 HydrophobicContact CD1-CD1 4.16Å; L5-I64 HydrophobicContact CD1-CG1 3.91Å; L5-I64 HydrophobicContact CD1-CG2 3.82Å; L5-I64 HydrophobicContact CG-CG2 4.44Å; F7-I64 HydrophobicContact CD1-CD1 3.59Å; F7-I64 HydrophobicContact CE1-CD1 3.19Å; F7-I64 HydrophobicContact CG-CD1 4.47Å; F7-I64 HydrophobicContact CZ-CD1 3.77Å; V37-I64 HydrophobicContact CG2-CD1 4.47Å; V61-I64 HydrophobicContact CG2-CD1 4.28Å; V61-I64 HydrophobicContact CG2-CG1 4.06Å; I64-A66 PolarHBondContact O-N 3.06Å; I64-E67 PolarHBondContact O-N 2.92Å; I64-T68 HydrophobicContact CG2-CG2 3.72Å; I64-T68 PolarHBondContact O-N 3.01Å; I64-V71 HydrophobicContact CD1-CG1 4.29Å; I64-V71 HydrophobicContact CG2-CG1 3.78Å; I64-V83 HydrophobicContact CD1-CB 4.3Å; I64-V83 HydrophobicContact CD1-CG1 4.15Å; I64-V83 HydrophobicContact CD1-CG2 4.16Å; I64-V83 HydrophobicContact CG1-CG2 4.1Å; I64-D85 PolarHBondContact N-OD1 2.87Å; I64-D85 VanDerWaalsContact N-OD1 3.08Å; I64-D85 PolarHBondContact N-OD2 3.44Å; I64-L89 HydrophobicContact CB-CD1 3.77Å; I64-L89 HydrophobicContact CB-CD2 4.37Å; I64-L89 HydrophobicContact CG2-CD1 3.86Å; I64-L89 HydrophobicContact CG2-CD2 3.93Å | ||
| 65 | A | 94.9 | Very high | 96.7 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D85 D88 L89 | A65-D85 VanDerWaalsContact CB-OD2 3.25Å; A65-D85 WeakPolarHBondContact CB-OD2 3.06Å; A65-D85 PolarHBondContact N-OD2 3.08Å; A65-D88 HydrophobicContact CB-CB 4.36Å; A65-L89 HydrophobicContact CB-CD2 3.94Å |
| 66 | A | 93.1 | Very high | 96.6 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 87% | 0.868 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | I64 | I64-A66 PolarHBondContact O-N 3.06Š|
| 67 | E | 93.8 | Very high | 96.5 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -40.3 | -176 | -66.5 | -169.6 | -134.3 | 0 | 0 | 113 | K3 R59 I64 | K3-E67 IonicContact NZ-OE2 3.4Å; R59-E67 IonicContact CZ-OE1 3.5Å; R59-E67 IonicContact CZ-OE2 3.54Å; R59-E67 IonicContact NH1-OE1 2.93Å; R59-E67 PolarHBondContact NH1-OE1 3.26Å; R59-E67 IonicContact NH1-OE2 2.74Å; R59-E67 PolarHBondContact NH1-OE2 2.93Å; R59-E67 IonicContact NH2-OE1 3.13Å; R59-E67 IonicContact NH2-OE2 3.52Å; R59-E67 PolarHBondContact NH2-OE2 3.05Å; I64-E67 PolarHBondContact O-N 2.92Å |
| 68 | T | 95 | Very high | 96 | Very high | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | trans | -155.6 | 157.9 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | K3 L5 I64 E70 L89 | K3-T68 VanDerWaalsContact O-CB 3.26Å; K3-T68 WeakPolarHBondContact O-CB 3.49Å; K3-T68 PolarHBondContact O-OG1 2.74Å; L5-T68 HydrophobicContact CB-CG2 4.37Å; L5-T68 HydrophobicContact CD1-CG2 4.25Å; L5-T68 HydrophobicContact CG-CG2 3.79Å; I64-T68 HydrophobicContact CG2-CG2 3.72Å; I64-T68 PolarHBondContact O-N 3.01Å; T68-E70 WeakPolarHBondContact CG2-O 3.3Å; T68-E70 PolarHBondContact OG1-N 3.27Å; T68-L89 WeakPolarHBondContact O-CD2 3.39Å | ||
| 69 | N | 94.8 | Very high | 95.8 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -98.2 | -4.1 | 172.9 | -61.2 | -19.9 | 0 | 0 | 0 | 112.2 | T90 | N69-T90 WeakPolarHBondContact O-CA 3.21Å; N69-T90 VanDerWaalsContact O-CB 3.29Å; N69-T90 WeakPolarHBondContact O-CB 3.05Å; N69-T90 PolarHBondContact O-N 3.05Å |
| 70 | E | 96.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.9 | -172.2 | -68.8 | -179.1 | 149.6 | 0 | 0 | 110.9 | V4 L5 T68 T90 L92 | V4-E70 HydrophobicContact CG2-CB 4.22Å; L5-E70 PolarHBondContact N-O 2.92Å; T68-E70 WeakPolarHBondContact CG2-O 3.3Å; T68-E70 PolarHBondContact OG1-N 3.27Å; E70-T90 WeakPolarHBondContact CA-O 3.28Å; E70-L92 HydrophobicContact CB-CD1 3.82Å; E70-L92 HydrophobicContact CB-CG 4.18Å; E70-L92 HydrophobicContact CG-CD1 4.21Å; E70-L92 HydrophobicContact CG-CD2 4.4Å; E70-L92 HydrophobicContact CG-CG 4.43Å |
| 71 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 159.1 | -178.4 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | L5 F7 I64 L73 I86 L89 T90 I91 L92 | L5-V71 VanDerWaalsContact O-CA 3.31Å; L5-V71 WeakPolarHBondContact O-CA 3.49Å; F7-V71 HydrophobicContact CE1-CB 3.75Å; F7-V71 HydrophobicContact CE1-CG1 3.74Å; F7-V71 HydrophobicContact CE1-CG2 4.42Å; F7-V71 HydrophobicContact CZ-CB 4.22Å; F7-V71 HydrophobicContact CZ-CG1 4.32Å; F7-V71 HydrophobicContact CZ-CG2 4.39Å; I64-V71 HydrophobicContact CD1-CG1 4.29Å; I64-V71 HydrophobicContact CG2-CG1 3.78Å; V71-L73 HydrophobicContact CG2-CD2 4.44Å; V71-I86 HydrophobicContact CG2-CD1 4.19Å; V71-L89 HydrophobicContact CG1-CB 4.42Å; V71-L89 HydrophobicContact CG1-CD1 3.82Å; V71-L89 HydrophobicContact CG1-CG 4.5Å; V71-L89 HydrophobicContact CG2-CB 4.1Å; V71-L89 HydrophobicContact CG2-CD1 4.43Å; V71-T90 PolarHBondContact N-O 2.9Å; V71-I91 HydrophobicContact CG2-CG1 4.05Å; V71-L92 PolarHBondContact O-N 2.72Å |
| 72 | M | 98.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.9 | 167.3 | -60 | 176.4 | 177.7 | 0 | 0 | 109.4 | V4 L5 I6 F7 Y23 Q27 L92 A93 | V4-M72 HydrophobicContact CG1-CE 4.22Å; V4-M72 HydrophobicContact CG1-CG 3.81Å; V4-M72 HydrophobicContact CG1-SD 4.23Å; L5-M72 PolarHBondContact O-N 3.2Å; I6-M72 WeakPolarHBondContact CA-O 3.49Å; I6-M72 HydrophobicContact CD1-CB 4.26Å; I6-M72 HydrophobicContact CD1-SD 3.9Å; I6-M72 HydrophobicContact CG1-CB 4.06Å; I6-M72 HydrophobicContact CG1-SD 4.47Å; I6-M72 HydrophobicContact CG2-CB 4.34Å; F7-M72 PolarHBondContact N-O 3.17Å; Y23-M72 HydrophobicContact CD1-SD 4.48Å; Y23-M72 HydrophobicContact CE1-CB 4.11Å; Y23-M72 HydrophobicContact CE1-CG 4.49Å; Y23-M72 HydrophobicContact CE1-SD 3.74Å; Q27-M72 HydrophobicContact CG-CE 4.48Å; Q27-M72 HydrophobicContact CG-SD 3.88Å; M72-L92 HydrophobicContact CE-CB 4.16Å; M72-L92 HydrophobicContact CE-CD1 4.14Å; M72-L92 HydrophobicContact CG-CB 4.11Å; M72-A93 CarbonylContact C-O 3.59Å; M72-A93 WeakPolarHBondContact CA-O 3.26Å; M72-A93 HydrophobicContact CB-CB 4.13Å; M72-A93 HydrophobicContact CG-CB 3.81Å; M72-A93 HydrophobicContact SD-CB 4.13Å |
| 73 | L | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.4 | -179.3 | -49.2 | -176.4 | 0 | 0 | 0 | 109.7 | F7 V71 I86 I91 A93 V94 V95 F103 | F7-L73 HydrophobicContact CD2-CD2 4.17Å; F7-L73 HydrophobicContact CE1-CD2 4.14Å; F7-L73 HydrophobicContact CE2-CD2 3.4Å; F7-L73 VanDerWaalsContact CE2-CD2 3.4Å; F7-L73 HydrophobicContact CZ-CD2 3.38Å; V71-L73 HydrophobicContact CG2-CD2 4.44Å; L73-I86 HydrophobicContact CD2-CD1 4.14Å; L73-I91 HydrophobicContact CD1-CD1 4.09Å; L73-I91 HydrophobicContact CD1-CG2 4.18Å; L73-I91 HydrophobicContact CG-CG2 4.06Å; L73-A93 PolarHBondContact N-O 3.47Å; L73-V94 HydrophobicContact CB-CG1 4.47Å; L73-V94 HydrophobicContact CB-CG2 4.22Å; L73-V94 HydrophobicContact CD1-CG2 4.27Å; L73-V94 HydrophobicContact CG-CG2 4.42Å; L73-V94 WeakPolarHBondContact O-CA 3.26Å; L73-V95 PolarHBondContact O-N 2.94Å; L73-F103 HydrophobicContact CD1-CE2 4.27Å |
| 74 | V | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.8 | 167.6 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | I6 F7 G8 A19 A20 Y23 H76 V95 T119 | I6-V74 HydrophobicContact CG2-CG1 3.98Å; F7-V74 WeakPolarHBondContact O-CG2 3.31Å; F7-V74 PolarHBondContact O-N 3.04Å; F7-V74 VanDerWaalsContact O-N 3.09Å; G8-V74 WeakPolarHBondContact CA-O 3.3Å; A19-V74 HydrophobicContact CB-CB 3.91Å; A19-V74 HydrophobicContact CB-CG1 4.35Å; A19-V74 HydrophobicContact CB-CG2 3.99Å; A20-V74 HydrophobicContact CB-CG2 3.93Å; Y23-V74 HydrophobicContact CD1-CG1 3.81Å; Y23-V74 HydrophobicContact CG-CG1 4.2Å; V74-H76 PolarHBondContact O-N 2.82Å; V74-H76 PolarHBondContact O-ND1 2.61Å; V74-V95 CarbonylContact C-O 3.3Å; V74-V95 VanDerWaalsContact CA-O 3.25Å; V74-V95 WeakPolarHBondContact CA-O 3.41Å; V74-V95 HydrophobicContact CG1-CB 4.49Å; V74-T119 HydrophobicContact CB-CG2 4.42Å |
| 75 | D | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 61.4 | 6.2 | 169.4 | -163.8 | 52 | 0 | 0 | 0 | 116.5 | H9 V95 D96 H97 H98 T119 | H9-D75 IonicContact CD2-OD2 3.33Å; H9-D75 PolarHBondContact CD2-OD2 2.97Å; H9-D75 IonicContact NE2-OD2 2.58Å; H9-D75 PolarHBondContact NE2-OD2 3.22Å; D75-V95 PolarHBondContact N-O 3.13Å; D75-D96 VanDerWaalsContact C-OD1 3.31Å; D75-H97 IonicContact OD1-CD2 3.3Å; D75-H97 PolarHBondContact OD1-CD2 2.88Å; D75-H97 VanDerWaalsContact OD1-CD2 3.27Å; D75-H97 IonicContact OD1-NE2 3.27Å; D75-H97 PolarHBondContact OD1-NE2 3.49Å; D75-H98 PolarHBondContact O-CE1 2.99Å; D75-H98 PolarHBondContact O-ND1 3.22Å; D75-H98 IonicContact OD1-CE1 3.48Å; D75-H98 PolarHBondContact OD1-CE1 2.88Å; D75-H98 IonicContact OD1-ND1 3.9Å; D75-T119 WeakPolarHBondContact CA-OG1 3.4Å; D75-T119 HydrophobicContact CB-CG2 4.39Å; D75-T119 PolarHBondContact OD1-OG1 3.36Å |
| 76 | H | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -158.7 | 161.9 | 172.3 | 72.6 | -62.1 | 0 | 0 | 0 | 111.4 | F7 G8 H9 V74 S82 D96 | F7-H76 AromaticContact CD2-CE1 3.98Å; F7-H76 PolarHBondContact O-CE1 3.21Å; G8-H76 VanDerWaalsContact C-ND1 3.31Å; G8-H76 PolarHBondContact O-CE1 3.11Å; H9-H76 HydrophobicContact CB-CB 3.9Å; H9-H76 PolarHBondContact N-ND1 2.97Å; V74-H76 PolarHBondContact O-N 2.82Å; V74-H76 PolarHBondContact O-ND1 2.61Å; H76-S82 WeakPolarHBondContact NE2-CB 3.25Å; H76-S82 PolarHBondContact NE2-OG 2.8Å; H76-D96 VanDerWaalsContact C-OD2 3.29Å; H76-D96 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 77 | N | 94.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -137.8 | -28.3 | 171.3 | 66.9 | 95.3 | 0 | 0 | 0 | 113 | F79 V94 D96 R99 I100 A101 F103 Y111 | N77-F79 PolarHBondContact O-N 2.74Å; N77-V94 HydrophobicContact CB-CG1 4.28Å; N77-D96 PolarHBondContact N-OD2 3.3Å; N77-D96 PolarHBondContact ND2-OD2 3.06Å; N77-R99 PolarHBondContact ND2-O 2.82Å; N77-I100 WeakPolarHBondContact OD1-CA 3.39Å; N77-A101 PolarHBondContact OD1-N 3.02Å; N77-A101 VanDerWaalsContact OD1-N 3.14Å; N77-A101 PolarHBondContact OD1-O 2.78Å; N77-F103 HydrophobicContact CB-CB 4.33Å; N77-F103 HydrophobicContact CB-CD2 3.94Å; N77-F103 HydrophobicContact CB-CG 4.19Å; N77-F103 VanDerWaalsContact O-CD2 3.23Å; N77-F103 WeakPolarHBondContact O-CD2 3.36Å; N77-Y111 HydrophobicContact CB-CE2 4.48Å; N77-Y111 WeakPolarHBondContact CB-OH 3.46Å | ||
| 78 | E | 88.5 | Confident | 94.9 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | trans | -65.4 | 122.2 | -175.4 | -43.9 | -168.3 | -169.6 | 0 | 0 | 110.8 | Q80 Q81 R99 A101 N102 | E78-Q80 PolarHBondContact O-N 2.89Å; E78-Q80 VanDerWaalsContact O-N 3.13Å; E78-Q80 PolarHBondContact OE2-NE2 3.43Å; E78-Q81 HydrophobicContact CB-CG 4.27Å; E78-Q81 WeakPolarHBondContact O-CB 3.46Å; E78-Q81 PolarHBondContact O-N 3.09Å; E78-Q81 PolarHBondContact OE2-NE2 2.85Å; E78-R99 IonicContact OE1-CZ 2.68Å; E78-R99 VanDerWaalsContact OE1-CZ 3.26Å; E78-R99 IonicContact OE1-NE 2.89Å; E78-R99 PolarHBondContact OE1-NE 2.98Å; E78-R99 IonicContact OE1-NH2 3.09Å; E78-R99 PolarHBondContact OE1-NH2 3.42Å; E78-R99 IonicContact OE2-NH2 3.54Å; E78-A101 WeakPolarHBondContact CA-O 3.1Å; E78-A101 HydrophobicContact CG-CB 4.23Å; E78-A101 WeakPolarHBondContact CG-O 3.05Å; E78-N102 HydrophobicContact CB-CB 4.44Å | ||
| 79 | F | 93.5 | Very high | 94.9 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -56.7 | -35.3 | -170.8 | -83 | 16.5 | 0 | 0 | 0 | 113.7 | N77 Q81 S82 I86 E87 I91 N102 F103 Q104 | N77-F79 PolarHBondContact O-N 2.74Å; F79-Q81 PolarHBondContact O-N 3.33Å; F79-S82 VanDerWaalsContact O-CB 3.31Å; F79-S82 WeakPolarHBondContact O-CB 3.29Å; F79-S82 PolarHBondContact O-N 3.12Å; F79-I86 HydrophobicContact CB-CG2 4Å; F79-I86 HydrophobicContact CD1-CG1 4.3Å; F79-I86 HydrophobicContact CD1-CG2 4.36Å; F79-I86 HydrophobicContact CD2-CG2 3.96Å; F79-I86 HydrophobicContact CE1-CG1 4.27Å; F79-I86 HydrophobicContact CE2-CG2 4.49Å; F79-I86 HydrophobicContact CG-CG2 3.87Å; F79-E87 HydrophobicContact CD2-CG 3.9Å; F79-E87 HydrophobicContact CE2-CG 3.99Å; F79-I91 HydrophobicContact CE1-CD1 3.74Å; F79-I91 HydrophobicContact CZ-CD1 4.04Å; F79-N102 WeakPolarHBondContact CD1-O 3.34Å; F79-N102 WeakPolarHBondContact CG-O 3.44Å; F79-N102 PolarHBondContact N-O 3.03Å; F79-F103 HydrophobicContact CD1-CD2 4.2Å; F79-F103 AromaticContact CE1-CD2 3.72Å; F79-F103 HydrophobicContact CE1-CD2 3.72Å; F79-F103 HydrophobicContact CE1-CE2 4.2Å; F79-F103 HydrophobicContact CE1-CG 4.47Å; F79-Q104 HydrophobicContact CE2-CG 4.01Å; F79-Q104 HydrophobicContact CZ-CG 4.1Å; F79-Q104 VanDerWaalsContact CZ-O 3.23Å; F79-Q104 WeakPolarHBondContact CZ-O 3.34Å |
| 80 | Q | 85.2 | Confident | 95 | Very high | 99 Ų | 99 | 33.5 Ų | 33.5 | 46% | 0.463 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -68 | -14.3 | 178.9 | 72.5 | -81.3 | 13.7 | 0 | 0 | 114 | E78 N102 | E78-Q80 PolarHBondContact O-N 2.89Å; E78-Q80 VanDerWaalsContact O-N 3.13Å; E78-Q80 PolarHBondContact OE2-NE2 3.43Å; Q80-N102 PolarHBondContact NE2-ND2 2.99Å; Q80-N102 VanDerWaalsContact NE2-ND2 3.17Å; Q80-N102 VanDerWaalsContact OE1-CB 3.26Å; Q80-N102 PolarHBondContact OE1-ND2 3.24Å |
| 81 | Q | 85.8 | Confident | 95.1 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 17% | 0.173 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -95.5 | -4.4 | 173.2 | -56.7 | 178.4 | 22.8 | 0 | 0 | 112 | H9 Q10 E78 F79 | H9-Q81 CarbonylContact C-O 3.59Å; H9-Q81 WeakPolarHBondContact CA-O 3.38Å; H9-Q81 HydrophobicContact CB-CB 4.2Å; Q10-Q81 WeakPolarHBondContact CG-O 3.48Å; Q10-Q81 PolarHBondContact N-O 2.98Å; E78-Q81 HydrophobicContact CB-CG 4.27Å; E78-Q81 WeakPolarHBondContact O-CB 3.46Å; E78-Q81 PolarHBondContact O-N 3.09Å; E78-Q81 PolarHBondContact OE2-NE2 2.85Å; F79-Q81 PolarHBondContact O-N 3.33Å |
| 82 | S | 95.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -98.3 | -170.5 | -171.1 | -152.2 | 0 | 0 | 0 | 0 | 112.3 | F7 Q10 L39 H76 F79 | F7-S82 WeakPolarHBondContact CE2-OG 3.31Å; Q10-S82 WeakPolarHBondContact CG-O 3.43Å; Q10-S82 PolarHBondContact NE2-O 2.76Å; L39-S82 VanDerWaalsContact CD1-C 3.5Å; H76-S82 WeakPolarHBondContact NE2-CB 3.25Å; H76-S82 PolarHBondContact NE2-OG 2.8Å; F79-S82 VanDerWaalsContact O-CB 3.31Å; F79-S82 WeakPolarHBondContact O-CB 3.29Å; F79-S82 PolarHBondContact O-N 3.12Å |
| 83 | V | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | trans | -64 | 146.6 | 176.2 | 69.8 | 0 | 0 | 0 | 0 | 111 | F7 L39 I64 D85 I86 L89 | F7-V83 HydrophobicContact CE2-CB 4.11Å; F7-V83 HydrophobicContact CE2-CG1 4.07Å; F7-V83 HydrophobicContact CZ-CB 4.24Å; F7-V83 HydrophobicContact CZ-CG1 3.8Å; L39-V83 HydrophobicContact CD1-CB 4.16Å; L39-V83 VanDerWaalsContact CD1-N 3.34Å; L39-V83 HydrophobicContact CD2-CB 3.86Å; L39-V83 HydrophobicContact CD2-CG2 3.92Å; I64-V83 HydrophobicContact CD1-CB 4.3Å; I64-V83 HydrophobicContact CD1-CG1 4.15Å; I64-V83 HydrophobicContact CD1-CG2 4.16Å; I64-V83 HydrophobicContact CG1-CG2 4.1Å; V83-D85 VanDerWaalsContact CG2-OD1 3.31Å; V83-D85 WeakPolarHBondContact CG2-OD1 3.41Å; V83-D85 PolarHBondContact O-N 3.13Å; V83-D85 VanDerWaalsContact O-N 3.08Å; V83-I86 HydrophobicContact CG1-CB 3.91Å; V83-I86 HydrophobicContact CG1-CD1 4.2Å; V83-I86 VanDerWaalsContact O-CB 3.32Å; V83-I86 WeakPolarHBondContact O-CB 3.44Å; V83-I86 WeakPolarHBondContact O-CG2 3.04Å; V83-I86 PolarHBondContact O-N 3.05Å; V83-L89 HydrophobicContact CG1-CD1 3.81Å | ||
| 84 | S | 94.7 | Very high | 95.1 | Very high | 80 Ų | 80 | 33.2 Ų | 33.2 | 56% | 0.559 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.8 | -171.7 | 67 | 0 | 0 | 0 | 0 | 115.1 | E62 K63 | E62-S84 PolarHBondContact O-OG 3.31Å; K63-S84 WeakPolarHBondContact CG-OG 3.34Å |
| 85 | D | 96.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 24.8 | 177.7 | 63 | -19.4 | 0 | 0 | 0 | 112.9 | K63 I64 A65 V83 E87 D88 | K63-D85 WeakPolarHBondContact CA-OD1 3.36Å; K63-D85 WeakPolarHBondContact CB-OD2 3.49Å; I64-D85 PolarHBondContact N-OD1 2.87Å; I64-D85 VanDerWaalsContact N-OD1 3.08Å; I64-D85 PolarHBondContact N-OD2 3.44Å; A65-D85 VanDerWaalsContact CB-OD2 3.25Å; A65-D85 WeakPolarHBondContact CB-OD2 3.06Å; A65-D85 PolarHBondContact N-OD2 3.08Å; V83-D85 VanDerWaalsContact CG2-OD1 3.31Å; V83-D85 WeakPolarHBondContact CG2-OD1 3.41Å; V83-D85 PolarHBondContact O-N 3.13Å; V83-D85 VanDerWaalsContact O-N 3.08Å; D85-E87 PolarHBondContact O-N 3.41Å; D85-E87 VanDerWaalsContact O-N 3.12Å; D85-D88 WeakPolarHBondContact O-CB 3.48Å; D85-D88 PolarHBondContact O-N 2.83Å |
| 86 | I | 97 | Very high | 95 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -56 | -31.5 | -178.1 | -171.4 | 59.1 | 0 | 0 | 0 | 113.4 | F7 V71 L73 F79 V83 D88 L89 I91 | F7-I86 HydrophobicContact CZ-CD1 4.3Å; V71-I86 HydrophobicContact CG2-CD1 4.19Å; L73-I86 HydrophobicContact CD2-CD1 4.14Å; F79-I86 HydrophobicContact CB-CG2 4Å; F79-I86 HydrophobicContact CD1-CG1 4.3Å; F79-I86 HydrophobicContact CD1-CG2 4.36Å; F79-I86 HydrophobicContact CD2-CG2 3.96Å; F79-I86 HydrophobicContact CE1-CG1 4.27Å; F79-I86 HydrophobicContact CE2-CG2 4.49Å; F79-I86 HydrophobicContact CG-CG2 3.87Å; V83-I86 HydrophobicContact CG1-CB 3.91Å; V83-I86 HydrophobicContact CG1-CD1 4.2Å; V83-I86 VanDerWaalsContact O-CB 3.32Å; V83-I86 WeakPolarHBondContact O-CB 3.44Å; V83-I86 WeakPolarHBondContact O-CG2 3.04Å; V83-I86 PolarHBondContact O-N 3.05Å; I86-D88 PolarHBondContact O-N 3.48Å; I86-L89 HydrophobicContact CD1-CD1 4.43Å; I86-L89 PolarHBondContact O-N 3.42Å; I86-I91 HydrophobicContact CD1-CD1 3.99Å; I86-I91 HydrophobicContact CD1-CG1 4.03Å; I86-I91 HydrophobicContact CG1-CD1 4.19Å |
| 87 | E | 95.5 | Very high | 95 | Very high | 151 Ų | 151 | 34.9 Ų | 34.9 | 71% | 0.706 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -67.9 | -21.9 | 178 | -62.2 | -169.7 | 151 | 0 | 0 | 113.5 | F79 D85 L89 | F79-E87 HydrophobicContact CD2-CG 3.9Å; F79-E87 HydrophobicContact CE2-CG 3.99Å; D85-E87 PolarHBondContact O-N 3.41Å; D85-E87 VanDerWaalsContact O-N 3.12Å; E87-L89 VanDerWaalsContact C-N 3.33Å |
| 88 | D | 95.6 | Very high | 94.6 | Very high | 125 Ų | 125 | 37.8 Ų | 37.8 | 67% | 0.668 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -87.9 | -2.2 | 178.7 | -65.2 | -40.1 | 0 | 0 | 0 | 112.5 | A65 D85 I86 | A65-D88 HydrophobicContact CB-CB 4.36Å; D85-D88 WeakPolarHBondContact O-CB 3.48Å; D85-D88 PolarHBondContact O-N 2.83Å; I86-D88 PolarHBondContact O-N 3.48Å |
| 89 | L | 96.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 42 Ų | 42 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -111.3 | 156.8 | -170.9 | -57.7 | 171.2 | 0 | 0 | 0 | 112.6 | I64 A65 T68 V71 V83 I86 E87 | I64-L89 HydrophobicContact CB-CD1 3.77Å; I64-L89 HydrophobicContact CB-CD2 4.37Å; I64-L89 HydrophobicContact CG2-CD1 3.86Å; I64-L89 HydrophobicContact CG2-CD2 3.93Å; A65-L89 HydrophobicContact CB-CD2 3.94Å; T68-L89 WeakPolarHBondContact O-CD2 3.39Å; V71-L89 HydrophobicContact CG1-CB 4.42Å; V71-L89 HydrophobicContact CG1-CD1 3.82Å; V71-L89 HydrophobicContact CG1-CG 4.5Å; V71-L89 HydrophobicContact CG2-CB 4.1Å; V71-L89 HydrophobicContact CG2-CD1 4.43Å; V83-L89 HydrophobicContact CG1-CD1 3.81Å; I86-L89 HydrophobicContact CD1-CD1 4.43Å; I86-L89 PolarHBondContact O-N 3.42Å; E87-L89 VanDerWaalsContact C-N 3.33Å |
| 90 | T | 96.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.6 | 171 | -58.3 | 0 | 0 | 0 | 0 | 110 | N69 E70 V71 L92 | N69-T90 WeakPolarHBondContact O-CA 3.21Å; N69-T90 VanDerWaalsContact O-CB 3.29Å; N69-T90 WeakPolarHBondContact O-CB 3.05Å; N69-T90 PolarHBondContact O-N 3.05Å; E70-T90 WeakPolarHBondContact CA-O 3.28Å; V71-T90 PolarHBondContact N-O 2.9Å; T90-L92 HydrophobicContact CG2-CD2 4.13Å; T90-L92 PolarHBondContact O-N 2.92Å |
| 91 | I | 97.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 109.5 | 176.9 | -54.3 | 170.5 | 0 | 0 | 0 | 109.3 | V71 L73 F79 I86 V94 F103 T105 L109 | V71-I91 HydrophobicContact CG2-CG1 4.05Å; L73-I91 HydrophobicContact CD1-CD1 4.09Å; L73-I91 HydrophobicContact CD1-CG2 4.18Å; L73-I91 HydrophobicContact CG-CG2 4.06Å; F79-I91 HydrophobicContact CE1-CD1 3.74Å; F79-I91 HydrophobicContact CZ-CD1 4.04Å; I86-I91 HydrophobicContact CD1-CD1 3.99Å; I86-I91 HydrophobicContact CD1-CG1 4.03Å; I86-I91 HydrophobicContact CG1-CD1 4.19Å; I91-V94 HydrophobicContact CG2-CG2 3.86Å; I91-F103 HydrophobicContact CD1-CE2 3.72Å; I91-F103 HydrophobicContact CD1-CZ 4.34Å; I91-F103 HydrophobicContact CG2-CE2 4.4Å; I91-F103 HydrophobicContact CG2-CZ 4.42Å; I91-T105 HydrophobicContact CB-CG2 4.39Å; I91-L109 HydrophobicContact CB-CD1 4.47Å; I91-L109 HydrophobicContact CG2-CD1 3.86Å; I91-L109 WeakPolarHBondContact O-CB 3.02Å |
| 92 | L | 97.4 | Very high | 93.6 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -37.8 | -178.8 | -63.2 | -177.2 | 0 | 0 | 0 | 112.8 | V4 E70 V71 M72 T90 Y110 | V4-L92 HydrophobicContact CG1-CD1 4.36Å; V4-L92 HydrophobicContact CG2-CD1 3.97Å; E70-L92 HydrophobicContact CB-CD1 3.82Å; E70-L92 HydrophobicContact CB-CG 4.18Å; E70-L92 HydrophobicContact CG-CD1 4.21Å; E70-L92 HydrophobicContact CG-CD2 4.4Å; E70-L92 HydrophobicContact CG-CG 4.43Å; V71-L92 PolarHBondContact O-N 2.72Å; M72-L92 HydrophobicContact CE-CB 4.16Å; M72-L92 HydrophobicContact CE-CD1 4.14Å; M72-L92 HydrophobicContact CG-CB 4.11Å; T90-L92 HydrophobicContact CG2-CD2 4.13Å; T90-L92 PolarHBondContact O-N 2.92Å; L92-Y110 PolarHBondContact O-N 3.11Å; L92-Y110 VanDerWaalsContact O-N 3.08Å |
| 93 | A | 98.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 149.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y23 M72 L73 Y110 | Y23-A93 HydrophobicContact CE1-CB 4.4Å; M72-A93 CarbonylContact C-O 3.59Å; M72-A93 WeakPolarHBondContact CA-O 3.26Å; M72-A93 HydrophobicContact CB-CB 4.13Å; M72-A93 HydrophobicContact CG-CB 3.81Å; M72-A93 HydrophobicContact SD-CB 4.13Å; L73-A93 PolarHBondContact N-O 3.47Å; A93-Y110 CarbonylContact C-O 3.53Å; A93-Y110 WeakPolarHBondContact CA-O 3.42Å; A93-Y110 HydrophobicContact CB-CD1 4.13Å |
| 94 | V | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127 | 166.6 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | L73 N77 I91 D96 F103 L109 Y110 Y111 R112 | L73-V94 HydrophobicContact CB-CG1 4.47Å; L73-V94 HydrophobicContact CB-CG2 4.22Å; L73-V94 HydrophobicContact CD1-CG2 4.27Å; L73-V94 HydrophobicContact CG-CG2 4.42Å; L73-V94 WeakPolarHBondContact O-CA 3.26Å; N77-V94 HydrophobicContact CB-CG1 4.28Å; I91-V94 HydrophobicContact CG2-CG2 3.86Å; V94-D96 HydrophobicContact CG1-CB 3.98Å; V94-F103 HydrophobicContact CG2-CE2 3.8Å; V94-F103 HydrophobicContact CG2-CZ 3.7Å; V94-L109 HydrophobicContact CG2-CD1 3.91Å; V94-Y110 PolarHBondContact N-O 2.71Å; V94-Y111 HydrophobicContact CB-CD2 3.65Å; V94-Y111 HydrophobicContact CB-CE2 3.65Å; V94-Y111 HydrophobicContact CB-CG 4.22Å; V94-Y111 HydrophobicContact CG1-CD2 4.19Å; V94-Y111 HydrophobicContact CG1-CE1 4.48Å; V94-Y111 HydrophobicContact CG1-CE2 3.68Å; V94-Y111 HydrophobicContact CG2-CD2 3.85Å; V94-Y111 HydrophobicContact CG2-CE2 3.82Å; V94-R112 PolarHBondContact O-N 3.2Å |
| 95 | V | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 110.8 | 171.8 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | Y23 L73 V74 D75 R112 T119 I122 V123 L126 | Y23-V95 HydrophobicContact CE1-CG2 3.98Å; Y23-V95 HydrophobicContact CE2-CG2 4.01Å; L73-V95 PolarHBondContact O-N 2.94Å; V74-V95 CarbonylContact C-O 3.3Å; V74-V95 VanDerWaalsContact CA-O 3.25Å; V74-V95 WeakPolarHBondContact CA-O 3.41Å; V74-V95 HydrophobicContact CG1-CB 4.49Å; D75-V95 PolarHBondContact N-O 3.13Å; V95-R112 WeakPolarHBondContact CA-O 3.25Å; V95-T119 HydrophobicContact CB-CG2 4.42Å; V95-T119 HydrophobicContact CG1-CG2 3.98Å; V95-T119 WeakPolarHBondContact O-CG2 3.5Å; V95-I122 HydrophobicContact CG1-CB 3.94Å; V95-I122 HydrophobicContact CG1-CG2 3.66Å; V95-V123 HydrophobicContact CG1-CG2 4.31Å; V95-L126 HydrophobicContact CG1-CD1 4.12Å; V95-L126 HydrophobicContact CG2-CD1 4.01Å |
| 96 | D | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 161.2 | -165.1 | -169 | 3.5 | 0 | 0 | 0 | 111.1 | D75 H76 N77 V94 H98 R112 A113 E114 I122 | D75-D96 VanDerWaalsContact C-OD1 3.31Å; H76-D96 VanDerWaalsContact C-OD2 3.29Å; H76-D96 WeakPolarHBondContact CA-OD2 3.43Å; N77-D96 PolarHBondContact N-OD2 3.3Å; N77-D96 PolarHBondContact ND2-OD2 3.06Å; V94-D96 HydrophobicContact CG1-CB 3.98Å; D96-H98 WeakPolarHBondContact OD1-CB 3.14Å; D96-H98 IonicContact OD1-CG 2.82Å; D96-H98 PolarHBondContact OD1-N 3.31Å; D96-H98 IonicContact OD1-ND1 3.1Å; D96-H98 PolarHBondContact OD1-ND1 3.43Å; D96-R112 PolarHBondContact N-O 2.9Å; D96-R112 VanDerWaalsContact N-O 3.12Å; D96-A113 WeakPolarHBondContact O-CA 3.39Å; D96-A113 WeakPolarHBondContact O-CB 3.38Å; D96-E114 PolarHBondContact O-N 3.43Å; D96-I122 WeakPolarHBondContact O-CD1 3.46Å |
| 97 | H | 94.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 62 Ų | 62 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | trans | -122.8 | -0.5 | 173.2 | 76.8 | 132.1 | 0 | 0 | 0 | 113.2 | D75 E114 V116 G117 T119 I122 | D75-H97 IonicContact OD1-CD2 3.3Å; D75-H97 PolarHBondContact OD1-CD2 2.88Å; D75-H97 VanDerWaalsContact OD1-CD2 3.27Å; D75-H97 IonicContact OD1-NE2 3.27Å; D75-H97 PolarHBondContact OD1-NE2 3.49Å; H97-E114 WeakPolarHBondContact CA-O 3.28Å; H97-E114 WeakPolarHBondContact CB-O 3.18Å; H97-V116 HydrophobicContact CB-CG2 4.36Å; H97-V116 PolarHBondContact ND1-O 2.81Å; H97-G117 PolarHBondContact CE1-O 3.48Å; H97-G117 PolarHBondContact ND1-O 2.95Å; H97-T119 PolarHBondContact CD2-OG1 2.93Å; H97-I122 HydrophobicContact CB-CD1 4.33Å | ||
| 98 | H | 85.6 | Confident | 92.6 | Very high | 61 Ų | 61 | 61.2 Ų | 61.2 | 28% | 0.282 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -81.4 | 172.9 | 179.5 | -64.6 | 96.4 | 0 | 0 | 0 | 114 | D75 D96 | D75-H98 PolarHBondContact O-CE1 2.99Å; D75-H98 PolarHBondContact O-ND1 3.22Å; D75-H98 IonicContact OD1-CE1 3.48Å; D75-H98 PolarHBondContact OD1-CE1 2.88Å; D75-H98 IonicContact OD1-ND1 3.9Å; D96-H98 WeakPolarHBondContact OD1-CB 3.14Å; D96-H98 IonicContact OD1-CG 2.82Å; D96-H98 PolarHBondContact OD1-N 3.31Å; D96-H98 IonicContact OD1-ND1 3.1Å; D96-H98 PolarHBondContact OD1-ND1 3.43Å |
| 99 | R | 79.9 | Confident | 92.6 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 156.8 | 166.4 | 68.7 | 173.9 | -174.6 | -119.9 | -7 | 110.3 | N77 E78 | N77-R99 PolarHBondContact ND2-O 2.82Å; E78-R99 IonicContact OE1-CZ 2.68Å; E78-R99 VanDerWaalsContact OE1-CZ 3.26Å; E78-R99 IonicContact OE1-NE 2.89Å; E78-R99 PolarHBondContact OE1-NE 2.98Å; E78-R99 IonicContact OE1-NH2 3.09Å; E78-R99 PolarHBondContact OE1-NH2 3.42Å; E78-R99 IonicContact OE2-NH2 3.54Å |
| 100 | I | 87.6 | Confident | 92.7 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 54% | 0.538 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 120.5 | 176.3 | -48.5 | -176.5 | 0 | 0 | 0 | 109.6 | N77 F103 Y111 | N77-I100 WeakPolarHBondContact OD1-CA 3.39Å; I100-F103 HydrophobicContact CG2-CB 4.49Å; I100-Y111 HydrophobicContact CD1-CD1 4.41Å; I100-Y111 HydrophobicContact CD1-CE1 3.5Å; I100-Y111 VanDerWaalsContact CD1-CE1 3.5Å; I100-Y111 HydrophobicContact CG1-CE1 4.22Å; I100-Y111 WeakPolarHBondContact CG1-OH 3.34Å |
| 101 | A | 78.9 | Confident | 92.8 | Very high | 33 Ų | 33 | 62 Ų | 62 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | trans | -155.7 | 156.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N77 E78 F103 | N77-A101 PolarHBondContact OD1-N 3.02Å; N77-A101 VanDerWaalsContact OD1-N 3.14Å; N77-A101 PolarHBondContact OD1-O 2.78Å; E78-A101 WeakPolarHBondContact CA-O 3.1Å; E78-A101 HydrophobicContact CG-CB 4.23Å; E78-A101 WeakPolarHBondContact CG-O 3.05Å; A101-F103 PolarHBondContact O-N 3.01Å | ||
| 102 | N | 85.9 | Confident | 92.8 | Very high | 109 Ų | 109 | 63 Ų | 63 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 45.4 | 41.9 | 177.1 | -63.1 | -20 | 0 | 0 | 0 | 114.2 | E78 F79 Q80 | E78-N102 HydrophobicContact CB-CB 4.44Å; F79-N102 WeakPolarHBondContact CD1-O 3.34Å; F79-N102 WeakPolarHBondContact CG-O 3.44Å; F79-N102 PolarHBondContact N-O 3.03Å; Q80-N102 PolarHBondContact NE2-ND2 2.99Å; Q80-N102 VanDerWaalsContact NE2-ND2 3.17Å; Q80-N102 VanDerWaalsContact OE1-CB 3.26Å; Q80-N102 PolarHBondContact OE1-ND2 3.24Å |
| 103 | F | 90.8 | Very high | 92.7 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | trans | -129.5 | 132.6 | -177.2 | 177.5 | -95.3 | 0 | 0 | 0 | 109.6 | L73 N77 F79 I91 V94 I100 A101 T105 L109 Y111 | L73-F103 HydrophobicContact CD1-CE2 4.27Å; N77-F103 HydrophobicContact CB-CB 4.33Å; N77-F103 HydrophobicContact CB-CD2 3.94Å; N77-F103 HydrophobicContact CB-CG 4.19Å; N77-F103 VanDerWaalsContact O-CD2 3.23Å; N77-F103 WeakPolarHBondContact O-CD2 3.36Å; F79-F103 HydrophobicContact CD1-CD2 4.2Å; F79-F103 AromaticContact CE1-CD2 3.72Å; F79-F103 HydrophobicContact CE1-CD2 3.72Å; F79-F103 HydrophobicContact CE1-CE2 4.2Å; F79-F103 HydrophobicContact CE1-CG 4.47Å; I91-F103 HydrophobicContact CD1-CE2 3.72Å; I91-F103 HydrophobicContact CD1-CZ 4.34Å; I91-F103 HydrophobicContact CG2-CE2 4.4Å; I91-F103 HydrophobicContact CG2-CZ 4.42Å; V94-F103 HydrophobicContact CG2-CE2 3.8Å; V94-F103 HydrophobicContact CG2-CZ 3.7Å; I100-F103 HydrophobicContact CG2-CB 4.49Å; A101-F103 PolarHBondContact O-N 3.01Å; F103-T105 HydrophobicContact CE1-CG2 3.89Å; F103-T105 HydrophobicContact CE2-CG2 4.48Å; F103-T105 HydrophobicContact CZ-CG2 3.64Å; F103-L109 HydrophobicContact CE1-CD1 4.37Å; F103-L109 HydrophobicContact CZ-CD1 3.77Å; F103-Y111 HydrophobicContact CD1-CE2 4.07Å; F103-Y111 AromaticContact CE1-CD2 3.91Å; F103-Y111 HydrophobicContact CE1-CD2 3.91Å; F103-Y111 AromaticContact CE1-CE2 3.71Å; F103-Y111 HydrophobicContact CE1-CE2 3.71Å; F103-Y111 HydrophobicContact CZ-CD2 4.16Å; F103-Y111 AromaticContact CZ-CE2 3.97Å; F103-Y111 HydrophobicContact CZ-CE2 3.97Å | ||
| 104 | Q | 92.2 | Very high | 92.6 | Very high | 135 Ų | 135 | 64.8 Ų | 64.8 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | trans | -150.4 | 152 | 177.9 | 61.8 | -179.4 | 8.2 | 0 | 0 | 111.5 | F79 | F79-Q104 HydrophobicContact CE2-CG 4.01Å; F79-Q104 HydrophobicContact CZ-CG 4.1Å; F79-Q104 VanDerWaalsContact CZ-O 3.23Å; F79-Q104 WeakPolarHBondContact CZ-O 3.34Å | ||
| 105 | T | 94.4 | Very high | 92.2 | Very high | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.362 | 38% | 0.381 | S | S | . | . | trans | -136.5 | 148.6 | 173.3 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | I91 F103 N107 L109 | I91-T105 HydrophobicContact CB-CG2 4.39Å; F103-T105 HydrophobicContact CE1-CG2 3.89Å; F103-T105 HydrophobicContact CE2-CG2 4.48Å; F103-T105 HydrophobicContact CZ-CG2 3.64Å; T105-N107 WeakPolarHBondContact CB-O 3.5Å; T105-N107 PolarHBondContact OG1-O 3.41Å; T105-L109 HydrophobicContact CG2-CD1 4.01Å; T105-L109 HydrophobicContact CG2-CD2 3.85Å; T105-L109 HydrophobicContact CG2-CG 4.43Å | ||
| 106 | A | 91 | Very high | 91.9 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 84% | 0.843 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -77.9 | -27.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 107 | N | 91 | Very high | 91.4 | Very high | 103 Ų | 103 | 70.4 Ų | 70.4 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -122.9 | 156.6 | -177.5 | -63.7 | -57.4 | 0 | 0 | 0 | 110.8 | T105 | T105-N107 WeakPolarHBondContact CB-O 3.5Å; T105-N107 PolarHBondContact OG1-O 3.41Å |
| 108 | P | 95.2 | Very high | 91.5 | Very high | 135 Ų | 135 | 68.7 Ų | 68.7 | 88% | 0.877 | 38% | 0.375 | S | S | * | . | trans | -55.7 | 143.3 | 166.6 | -23.2 | 34 | 0 | 0 | 0 | 111.7 | ||||
| 109 | L | 97.2 | Very high | 92.2 | Very high | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | trans | -136.8 | 172.9 | -179.4 | 77 | 160 | 0 | 0 | 0 | 111.7 | I91 V94 F103 T105 Y111 | I91-L109 HydrophobicContact CB-CD1 4.47Å; I91-L109 HydrophobicContact CG2-CD1 3.86Å; I91-L109 WeakPolarHBondContact O-CB 3.02Å; V94-L109 HydrophobicContact CG2-CD1 3.91Å; F103-L109 HydrophobicContact CE1-CD1 4.37Å; F103-L109 HydrophobicContact CZ-CD1 3.77Å; T105-L109 HydrophobicContact CG2-CD1 4.01Å; T105-L109 HydrophobicContact CG2-CD2 3.85Å; T105-L109 HydrophobicContact CG2-CG 4.43Å; L109-Y111 HydrophobicContact CD1-CD2 4.35Å | ||
| 110 | Y | 97.8 | Very high | 93.1 | Very high | 104 Ų | 104 | 61 Ų | 61 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.6 | 166.1 | -176 | -95.8 | 0 | 0 | 0 | 110.3 | L92 A93 V94 R112 L126 | L92-Y110 PolarHBondContact O-N 3.11Å; L92-Y110 VanDerWaalsContact O-N 3.08Å; A93-Y110 CarbonylContact C-O 3.53Å; A93-Y110 WeakPolarHBondContact CA-O 3.42Å; A93-Y110 HydrophobicContact CB-CD1 4.13Å; V94-Y110 PolarHBondContact N-O 2.71Å; Y110-R112 HydrophobicContact CD1-CB 4.49Å; Y110-R112 HydrophobicContact CE1-CB 3.65Å; Y110-R112 WeakPolarHBondContact OH-CD 3.5Å; Y110-L126 WeakPolarHBondContact OH-CD2 3.45Å |
| 111 | Y | 98.2 | Very high | 93.6 | Very high | 66 Ų | 66 | 56 Ų | 56 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 114.1 | 177.8 | -160.4 | -70.8 | 0 | 0 | 0 | 109.6 | N77 V94 I100 F103 L109 A113 | N77-Y111 HydrophobicContact CB-CE2 4.48Å; N77-Y111 WeakPolarHBondContact CB-OH 3.46Å; V94-Y111 HydrophobicContact CB-CD2 3.65Å; V94-Y111 HydrophobicContact CB-CE2 3.65Å; V94-Y111 HydrophobicContact CB-CG 4.22Å; V94-Y111 HydrophobicContact CG1-CD2 4.19Å; V94-Y111 HydrophobicContact CG1-CE1 4.48Å; V94-Y111 HydrophobicContact CG1-CE2 3.68Å; V94-Y111 HydrophobicContact CG2-CD2 3.85Å; V94-Y111 HydrophobicContact CG2-CE2 3.82Å; I100-Y111 HydrophobicContact CD1-CD1 4.41Å; I100-Y111 HydrophobicContact CD1-CE1 3.5Å; I100-Y111 VanDerWaalsContact CD1-CE1 3.5Å; I100-Y111 HydrophobicContact CG1-CE1 4.22Å; I100-Y111 WeakPolarHBondContact CG1-OH 3.34Å; F103-Y111 HydrophobicContact CD1-CE2 4.07Å; F103-Y111 AromaticContact CE1-CD2 3.91Å; F103-Y111 HydrophobicContact CE1-CD2 3.91Å; F103-Y111 AromaticContact CE1-CE2 3.71Å; F103-Y111 HydrophobicContact CE1-CE2 3.71Å; F103-Y111 HydrophobicContact CZ-CD2 4.16Å; F103-Y111 AromaticContact CZ-CE2 3.97Å; F103-Y111 HydrophobicContact CZ-CE2 3.97Å; L109-Y111 HydrophobicContact CD1-CD2 4.35Å; Y111-A113 HydrophobicContact CD1-CB 4.31Å; Y111-A113 HydrophobicContact CE1-CB 3.71Å |
| 112 | R | 98.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 99.9 | 177.6 | -176.4 | 177 | -173.5 | 153.2 | 2.2 | 109.6 | V94 V95 D96 Y110 E114 I122 E129 | V94-R112 PolarHBondContact O-N 3.2Å; V95-R112 WeakPolarHBondContact CA-O 3.25Å; D96-R112 PolarHBondContact N-O 2.9Å; D96-R112 VanDerWaalsContact N-O 3.12Å; Y110-R112 HydrophobicContact CD1-CB 4.49Å; Y110-R112 HydrophobicContact CE1-CB 3.65Å; Y110-R112 WeakPolarHBondContact OH-CD 3.5Å; R112-E114 IonicContact CZ-OE1 2.65Å; R112-E114 IonicContact NE-OE1 2.74Å; R112-E114 PolarHBondContact NE-OE1 3.27Å; R112-E114 IonicContact NH2-OE1 3.96Å; R112-E114 PolarHBondContact NH2-OE1 2.53Å; R112-I122 VanDerWaalsContact CD-CG2 3.49Å; R112-I122 HydrophobicContact CG-CG2 3.82Å; R112-I122 VanDerWaalsContact NE-CG2 3.34Å; R112-E129 IonicContact CZ-OE1 3.77Å; R112-E129 IonicContact CZ-OE2 2.98Å; R112-E129 IonicContact NH1-OE1 3.76Å; R112-E129 PolarHBondContact NH1-OE1 3.01Å; R112-E129 IonicContact NH1-OE2 2.63Å; R112-E129 PolarHBondContact NH1-OE2 3.1Å; R112-E129 IonicContact NH2-OE1 3.34Å; R112-E129 PolarHBondContact NH2-OE1 3.42Å; R112-E129 IonicContact NH2-OE2 2.71Å |
| 113 | A | 96.2 | Very high | 95.1 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D96 Y111 | D96-A113 WeakPolarHBondContact O-CA 3.39Å; D96-A113 WeakPolarHBondContact O-CB 3.38Å; Y111-A113 HydrophobicContact CD1-CB 4.31Å; Y111-A113 HydrophobicContact CE1-CB 3.71Å |
| 114 | E | 95.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | trans | -130.5 | 138.1 | 177.7 | -60.3 | -172.7 | -148.1 | 0 | 0 | 109.5 | D96 H97 R112 V116 I122 K125 | D96-E114 PolarHBondContact O-N 3.43Å; H97-E114 WeakPolarHBondContact CA-O 3.28Å; H97-E114 WeakPolarHBondContact CB-O 3.18Å; R112-E114 IonicContact CZ-OE1 2.65Å; R112-E114 IonicContact NE-OE1 2.74Å; R112-E114 PolarHBondContact NE-OE1 3.27Å; R112-E114 IonicContact NH2-OE1 3.96Å; R112-E114 PolarHBondContact NH2-OE1 2.53Å; E114-V116 HydrophobicContact CB-CG1 4.32Å; E114-V116 HydrophobicContact CB-CG2 4.26Å; E114-V116 PolarHBondContact O-N 2.73Å; E114-I122 HydrophobicContact CB-CD1 3.87Å; E114-I122 HydrophobicContact CB-CG1 4.12Å; E114-I122 HydrophobicContact CG-CD1 4.31Å; E114-I122 HydrophobicContact CG-CG1 4.44Å; E114-I122 HydrophobicContact CG-CG2 4.5Å; E114-K125 IonicContact OE2-NZ 2.68Å; E114-K125 PolarHBondContact OE2-NZ 3.02Å | ||
| 115 | P | 91.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 42.9 Ų | 42.9 | 72% | 0.721 | 25% | 0.248 | S | C | * | . | trans | -78.8 | 61.2 | -180 | 34.5 | -36.8 | 0 | 0 | 0 | 111 | ||||
| 116 | V | 91.4 | Very high | 96 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -106.1 | 170.4 | 175.3 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | H97 E114 C118 T121 I122 E161 | H97-V116 HydrophobicContact CB-CG2 4.36Å; H97-V116 PolarHBondContact ND1-O 2.81Å; E114-V116 HydrophobicContact CB-CG1 4.32Å; E114-V116 HydrophobicContact CB-CG2 4.26Å; E114-V116 PolarHBondContact O-N 2.73Å; V116-C118 VanDerWaalsContact C-N 3.3Å; V116-C118 WeakPolarHBondContact CG2-O 3.39Å; V116-C118 PolarHBondContact O-N 3.12Å; V116-T121 HydrophobicContact CB-CG2 4.38Å; V116-T121 HydrophobicContact CG1-CG2 4.45Å; V116-T121 HydrophobicContact CG2-CG2 4.35Å; V116-I122 HydrophobicContact CG2-CD1 3.96Å; V116-I122 HydrophobicContact CG2-CG1 3.61Å; V116-E161 HydrophobicContact CG1-CB 4.42Å |
| 117 | G | 87.1 | Confident | 96.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -70.4 | -23 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H97 D149 T157 D162 | H97-G117 PolarHBondContact CE1-O 3.48Å; H97-G117 PolarHBondContact ND1-O 2.95Å; G117-D149 VanDerWaalsContact O-CB 3.32Å; G117-D149 WeakPolarHBondContact O-CB 3.41Å; G117-T157 WeakPolarHBondContact CA-O 3.41Å; G117-T157 PolarHBondContact N-O 3.36Å; G117-D162 WeakPolarHBondContact CA-OD2 3.49Å; G117-D162 VanDerWaalsContact N-CG 3.25Å; G117-D162 PolarHBondContact N-OD1 2.83Å; G117-D162 PolarHBondContact N-OD2 3.47Å |
| 118 | C | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -153.9 | 143.3 | -172 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | D15 V116 S120 T121 I146 D149 D162 | D15-C118 PolarHBondContact OD1-SG 3.12Å; D15-C118 PolarHBondContact OD2-SG 2.87Å; V116-C118 VanDerWaalsContact C-N 3.3Å; V116-C118 WeakPolarHBondContact CG2-O 3.39Å; V116-C118 PolarHBondContact O-N 3.12Å; C118-S120 VanDerWaalsContact C-N 3.31Å; C118-S120 PolarHBondContact O-N 3.38Å; C118-S120 PolarHBondContact SG-N 2.9Å; C118-S120 VanDerWaalsContact SG-N 3.4Å; C118-T121 VanDerWaalsContact O-CB 3.3Å; C118-T121 WeakPolarHBondContact O-CB 3.23Å; C118-T121 PolarHBondContact O-N 3.12Å; C118-I146 HydrophobicContact CB-CB 4.39Å; C118-I146 HydrophobicContact CB-CG1 3.97Å; C118-I146 PolarHBondContact SG-N 3.22Å; C118-D149 WeakPolarHBondContact CA-OD2 3.42Å; C118-D149 HydrophobicContact CB-CB 4.19Å; C118-D149 WeakPolarHBondContact CB-OD2 3.39Å; C118-D149 PolarHBondContact SG-OD2 3.38Å; C118-D162 PolarHBondContact N-OD1 3.25Å | ||
| 119 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | D15 A19 V74 D75 V95 H97 T121 I122 V123 | D15-T119 WeakPolarHBondContact OD2-CA 3.33Å; D15-T119 WeakPolarHBondContact OD2-CB 3.25Å; D15-T119 PolarHBondContact OD2-N 3.49Å; D15-T119 PolarHBondContact OD2-OG1 3.46Å; A19-T119 HydrophobicContact CB-CG2 3.92Å; V74-T119 HydrophobicContact CB-CG2 4.42Å; D75-T119 WeakPolarHBondContact CA-OG1 3.4Å; D75-T119 HydrophobicContact CB-CG2 4.39Å; D75-T119 PolarHBondContact OD1-OG1 3.36Å; V95-T119 HydrophobicContact CB-CG2 4.42Å; V95-T119 HydrophobicContact CG1-CG2 3.98Å; V95-T119 WeakPolarHBondContact O-CG2 3.5Å; H97-T119 PolarHBondContact CD2-OG1 2.93Å; T119-T121 PolarHBondContact O-N 3.08Å; T119-I122 WeakPolarHBondContact O-CA 3.44Å; T119-I122 VanDerWaalsContact O-CB 3.26Å; T119-I122 WeakPolarHBondContact O-CB 3.43Å; T119-I122 PolarHBondContact O-N 3.18Å; T119-V123 HydrophobicContact CG2-CG2 4.45Å; T119-V123 PolarHBondContact O-N 2.99Å |
| 120 | S | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -25.3 | 176.7 | -68.8 | 0 | 0 | 0 | 0 | 114.1 | D15 C118 I122 V123 L124 A145 | D15-S120 PolarHBondContact OD1-N 3.26Å; D15-S120 VanDerWaalsContact OD1-N 3.14Å; D15-S120 PolarHBondContact OD1-OG 3.03Å; C118-S120 VanDerWaalsContact C-N 3.31Å; C118-S120 PolarHBondContact O-N 3.38Å; C118-S120 PolarHBondContact SG-N 2.9Å; C118-S120 VanDerWaalsContact SG-N 3.4Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 3.48Å; S120-V123 PolarHBondContact O-N 3.28Å; S120-L124 PolarHBondContact O-N 3.1Å; S120-A145 VanDerWaalsContact OG-CB 3.23Å; S120-A145 WeakPolarHBondContact OG-CB 3.22Å |
| 121 | T | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 169.1 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | V116 C118 T119 K125 E161 D162 A165 | V116-T121 HydrophobicContact CB-CG2 4.38Å; V116-T121 HydrophobicContact CG1-CG2 4.45Å; V116-T121 HydrophobicContact CG2-CG2 4.35Å; C118-T121 VanDerWaalsContact O-CB 3.3Å; C118-T121 WeakPolarHBondContact O-CB 3.23Å; C118-T121 PolarHBondContact O-N 3.12Å; T119-T121 PolarHBondContact O-N 3.08Å; T121-K125 PolarHBondContact O-N 3.05Å; T121-E161 HydrophobicContact CG2-CB 4.2Å; T121-D162 WeakPolarHBondContact CB-OD1 3.48Å; T121-D162 PolarHBondContact OG1-OD1 3.16Å; T121-A165 HydrophobicContact CG2-CB 4.12Å |
| 122 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.8 | -41.7 | 177.2 | -48.6 | 176.4 | 0 | 0 | 0 | 110.1 | V95 D96 H97 R112 E114 V116 T119 S120 L124 K125 L126 | V95-I122 HydrophobicContact CG1-CB 3.94Å; V95-I122 HydrophobicContact CG1-CG2 3.66Å; D96-I122 WeakPolarHBondContact O-CD1 3.46Å; H97-I122 HydrophobicContact CB-CD1 4.33Å; R112-I122 VanDerWaalsContact CD-CG2 3.49Å; R112-I122 HydrophobicContact CG-CG2 3.82Å; R112-I122 VanDerWaalsContact NE-CG2 3.34Å; E114-I122 HydrophobicContact CB-CD1 3.87Å; E114-I122 HydrophobicContact CB-CG1 4.12Å; E114-I122 HydrophobicContact CG-CD1 4.31Å; E114-I122 HydrophobicContact CG-CG1 4.44Å; E114-I122 HydrophobicContact CG-CG2 4.5Å; V116-I122 HydrophobicContact CG2-CD1 3.96Å; V116-I122 HydrophobicContact CG2-CG1 3.61Å; T119-I122 WeakPolarHBondContact O-CA 3.44Å; T119-I122 VanDerWaalsContact O-CB 3.26Å; T119-I122 WeakPolarHBondContact O-CB 3.43Å; T119-I122 PolarHBondContact O-N 3.18Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 3.48Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 PolarHBondContact O-N 2.91Å; I122-K125 WeakPolarHBondContact O-CB 3.32Å; I122-K125 PolarHBondContact O-N 3.03Å; I122-K125 VanDerWaalsContact O-N 3.12Å; I122-L126 PolarHBondContact O-N 3.14Å |
| 123 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | A19 A22 V95 T119 S120 K125 L126 Y127 M142 | A19-V123 HydrophobicContact CB-CG2 4.42Å; A22-V123 HydrophobicContact CB-CG1 3.87Å; V95-V123 HydrophobicContact CG1-CG2 4.31Å; T119-V123 HydrophobicContact CG2-CG2 4.45Å; T119-V123 PolarHBondContact O-N 2.99Å; S120-V123 PolarHBondContact O-N 3.28Å; V123-K125 VanDerWaalsContact C-N 3.32Å; V123-K125 PolarHBondContact O-N 3.02Å; V123-L126 WeakPolarHBondContact O-CB 3.2Å; V123-L126 PolarHBondContact O-N 3.36Å; V123-L126 VanDerWaalsContact O-N 3.1Å; V123-Y127 HydrophobicContact CG1-CD2 3.98Å; V123-Y127 HydrophobicContact CG1-CE2 3.78Å; V123-Y127 WeakPolarHBondContact O-CD2 3.46Å; V123-Y127 PolarHBondContact O-N 3.36Å; V123-M142 HydrophobicContact CB-SD 4.11Å; V123-M142 HydrophobicContact CG1-SD 3.81Å |
| 124 | L | 98.8 | Very high | 97 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 174 | 178 | 62.1 | 0 | 0 | 0 | 112.5 | S120 I122 L126 Y127 K128 V134 A165 L169 | S120-L124 PolarHBondContact O-N 3.1Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 PolarHBondContact O-N 2.91Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 2.67Å; L124-Y127 WeakPolarHBondContact O-CB 3.27Å; L124-Y127 PolarHBondContact O-N 3.43Å; L124-K128 HydrophobicContact CD1-CD 4.23Å; L124-K128 HydrophobicContact CG-CD 4.09Å; L124-K128 WeakPolarHBondContact O-CG 3.13Å; L124-K128 PolarHBondContact O-N 3.43Å; L124-K128 VanDerWaalsContact O-N 3.14Å; L124-V134 HydrophobicContact CD1-CG2 3.94Å; L124-A165 HydrophobicContact CD2-CB 3.53Å; L124-L169 HydrophobicContact CD1-CD2 4.08Å; L124-L169 HydrophobicContact CD2-CD1 4.18Å; L124-L169 HydrophobicContact CD2-CD2 4.44Å; L124-L169 HydrophobicContact CD2-CG 4.04Å |
| 125 | K | 98.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 38 Ų | 38 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 174.7 | -66.6 | 168.9 | -179.6 | 168.6 | 0 | 111.1 | E114 T121 I122 V123 Y127 K128 E129 E161 | E114-K125 IonicContact OE2-NZ 2.68Å; E114-K125 PolarHBondContact OE2-NZ 3.02Å; T121-K125 PolarHBondContact O-N 3.05Å; I122-K125 WeakPolarHBondContact O-CB 3.32Å; I122-K125 PolarHBondContact O-N 3.03Å; I122-K125 VanDerWaalsContact O-N 3.12Å; V123-K125 VanDerWaalsContact C-N 3.32Å; V123-K125 PolarHBondContact O-N 3.02Å; K125-Y127 PolarHBondContact O-N 3.12Å; K125-K128 PolarHBondContact O-N 3.1Å; K125-E129 WeakPolarHBondContact O-CB 3.44Å; K125-E129 VanDerWaalsContact O-CG 3.24Å; K125-E129 WeakPolarHBondContact O-CG 3.38Å; K125-E129 PolarHBondContact O-N 3.28Å; K125-E161 WeakPolarHBondContact CE-OE2 3.49Å; K125-E161 IonicContact NZ-OE2 2.84Å; K125-E161 PolarHBondContact NZ-OE2 3.07Å |
| 126 | L | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 177 | -70.9 | 165.1 | 0 | 0 | 0 | 112.7 | Y23 L26 V95 Y110 I122 V123 L124 N130 | Y23-L126 HydrophobicContact CD2-CD1 4.36Å; Y23-L126 HydrophobicContact CE2-CD1 3.86Å; L26-L126 HydrophobicContact CD2-CB 3.61Å; V95-L126 HydrophobicContact CG1-CD1 4.12Å; V95-L126 HydrophobicContact CG2-CD1 4.01Å; Y110-L126 WeakPolarHBondContact OH-CD2 3.45Å; I122-L126 PolarHBondContact O-N 3.14Å; V123-L126 WeakPolarHBondContact O-CB 3.2Å; V123-L126 PolarHBondContact O-N 3.36Å; V123-L126 VanDerWaalsContact O-N 3.1Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 2.67Å; L126-N130 PolarHBondContact O-N 2.85Å; L126-N130 VanDerWaalsContact O-N 3.15Å; L126-N130 PolarHBondContact O-ND2 2.89Å |
| 127 | Y | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 171.5 | -89.2 | -87 | 0 | 0 | 0 | 111.5 | A22 N25 L26 V123 L124 K125 N130 N131 I132 V134 M142 | A22-Y127 PolarHBondContact O-OH 3.13Å; N25-Y127 WeakPolarHBondContact CB-OH 3.17Å; N25-Y127 PolarHBondContact OD1-OH 3.01Å; L26-Y127 HydrophobicContact CB-CD2 4.47Å; L26-Y127 HydrophobicContact CB-CE1 4.19Å; L26-Y127 HydrophobicContact CB-CE2 3.87Å; L26-Y127 HydrophobicContact CD1-CD1 3.88Å; L26-Y127 HydrophobicContact CD1-CD2 4.43Å; L26-Y127 HydrophobicContact CD1-CE1 4.01Å; L26-Y127 HydrophobicContact CD1-CG 4.09Å; L26-Y127 HydrophobicContact CD2-CD2 4.35Å; L26-Y127 HydrophobicContact CD2-CE2 4.49Å; L26-Y127 PolarHBondContact N-OH 2.81Å; L26-Y127 VanDerWaalsContact N-OH 3.16Å; V123-Y127 HydrophobicContact CG1-CD2 3.98Å; V123-Y127 HydrophobicContact CG1-CE2 3.78Å; V123-Y127 WeakPolarHBondContact O-CD2 3.46Å; V123-Y127 PolarHBondContact O-N 3.36Å; L124-Y127 WeakPolarHBondContact O-CB 3.27Å; L124-Y127 PolarHBondContact O-N 3.43Å; K125-Y127 PolarHBondContact O-N 3.12Å; Y127-N130 PolarHBondContact O-N 2.95Å; Y127-N131 PolarHBondContact O-N 3.15Å; Y127-N131 VanDerWaalsContact O-N 3.15Å; Y127-I132 HydrophobicContact CD1-CB 4.06Å; Y127-I132 HydrophobicContact CD1-CG2 3.73Å; Y127-I132 HydrophobicContact CE1-CG2 3.9Å; Y127-I132 PolarHBondContact O-N 3.37Å; Y127-V134 HydrophobicContact CD1-CG2 3.73Å; Y127-V134 HydrophobicContact CD2-CG2 4.03Å; Y127-V134 HydrophobicContact CE1-CG2 4.3Å; Y127-V134 HydrophobicContact CG-CG2 3.59Å; Y127-M142 HydrophobicContact CD2-CE 4.32Å; Y127-M142 HydrophobicContact CE2-CE 4.23Å; Y127-M142 HydrophobicContact CE2-SD 4.41Å |
| 128 | K | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 40.6 Ų | 40.6 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -43.5 | -177.5 | -67.2 | 168.8 | 75 | 157.8 | 0 | 111.8 | L124 K125 N130 N131 E168 | L124-K128 HydrophobicContact CD1-CD 4.23Å; L124-K128 HydrophobicContact CG-CD 4.09Å; L124-K128 WeakPolarHBondContact O-CG 3.13Å; L124-K128 PolarHBondContact O-N 3.43Å; L124-K128 VanDerWaalsContact O-N 3.14Å; K125-K128 PolarHBondContact O-N 3.1Å; K128-N130 VanDerWaalsContact C-N 3.26Å; K128-N130 PolarHBondContact O-N 3.29Å; K128-N131 PolarHBondContact O-N 2.85Å; K128-E168 IonicContact NZ-OE1 3.54Å; K128-E168 PolarHBondContact NZ-OE1 2.93Å; K128-E168 IonicContact NZ-OE2 2.81Å; K128-E168 PolarHBondContact NZ-OE2 3.37Å |
| 129 | E | 98.3 | Very high | 98.4 | Very high | 106 Ų | 106 | 40.6 Ų | 40.6 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.1 | -33.6 | 177.4 | -73.8 | 164.2 | -163.7 | 0 | 0 | 112.7 | R112 K125 N131 | R112-E129 IonicContact CZ-OE1 3.77Å; R112-E129 IonicContact CZ-OE2 2.98Å; R112-E129 IonicContact NH1-OE1 3.76Å; R112-E129 PolarHBondContact NH1-OE1 3.01Å; R112-E129 IonicContact NH1-OE2 2.63Å; R112-E129 PolarHBondContact NH1-OE2 3.1Å; R112-E129 IonicContact NH2-OE1 3.34Å; R112-E129 PolarHBondContact NH2-OE1 3.42Å; R112-E129 IonicContact NH2-OE2 2.71Å; K125-E129 WeakPolarHBondContact O-CB 3.44Å; K125-E129 VanDerWaalsContact O-CG 3.24Å; K125-E129 WeakPolarHBondContact O-CG 3.38Å; K125-E129 PolarHBondContact O-N 3.28Å; E129-N131 VanDerWaalsContact C-N 3.32Å |
| 130 | N | 97.8 | Very high | 98.4 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.4 | 176.1 | -72.3 | -79.5 | 0 | 0 | 0 | 113.5 | L30 L126 Y127 K128 I132 | L30-N130 HydrophobicContact CD2-CB 4.2Å; L126-N130 PolarHBondContact O-N 2.85Å; L126-N130 VanDerWaalsContact O-N 3.15Å; L126-N130 PolarHBondContact O-ND2 2.89Å; Y127-N130 PolarHBondContact O-N 2.95Å; K128-N130 VanDerWaalsContact C-N 3.26Å; K128-N130 PolarHBondContact O-N 3.29Å; N130-I132 HydrophobicContact CB-CD1 3.81Å; N130-I132 HydrophobicContact CB-CG1 4.15Å; N130-I132 PolarHBondContact O-N 2.84Å |
| 131 | N | 97.5 | Very high | 98.4 | Very high | 153 Ų | 153 | 40.6 Ų | 40.6 | 82% | 0.818 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 35.7 | -175.5 | -54.7 | -80.4 | 0 | 0 | 0 | 113.3 | Y127 K128 E129 | Y127-N131 PolarHBondContact O-N 3.15Å; Y127-N131 VanDerWaalsContact O-N 3.15Å; K128-N131 PolarHBondContact O-N 2.85Å; E129-N131 VanDerWaalsContact C-N 3.32Å |
| 132 | I | 98 | Very high | 98.4 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 17% | 0.169 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 128.3 | 178.1 | -65.8 | 166 | 0 | 0 | 0 | 108.4 | L26 E29 L30 Y127 N130 | L26-I132 HydrophobicContact CD1-CB 4.29Å; L26-I132 HydrophobicContact CD1-CD1 3.58Å; L26-I132 HydrophobicContact CD1-CG2 4.45Å; E29-I132 HydrophobicContact CB-CD1 3.78Å; E29-I132 HydrophobicContact CB-CG1 4.46Å; E29-I132 HydrophobicContact CB-CG2 3.99Å; E29-I132 HydrophobicContact CG-CG2 3.97Å; L30-I132 HydrophobicContact CD2-CD1 3.71Å; L30-I132 HydrophobicContact CG-CD1 3.94Å; Y127-I132 HydrophobicContact CD1-CB 4.06Å; Y127-I132 HydrophobicContact CD1-CG2 3.73Å; Y127-I132 HydrophobicContact CE1-CG2 3.9Å; Y127-I132 PolarHBondContact O-N 3.37Å; N130-I132 HydrophobicContact CB-CD1 3.81Å; N130-I132 HydrophobicContact CB-CG1 4.15Å; N130-I132 PolarHBondContact O-N 2.84Å |
| 133 | A | 97.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 40.5 Ų | 40.5 | 74% | 0.736 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -73.9 | 132.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P135 | A133-P135 WeakPolarHBondContact O-CD 3.45Š|
| 134 | V | 98.4 | Very high | 98.4 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 122.7 | 177 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | L124 Y127 I138 A139 M142 I172 | L124-V134 HydrophobicContact CD1-CG2 3.94Å; Y127-V134 HydrophobicContact CD1-CG2 3.73Å; Y127-V134 HydrophobicContact CD2-CG2 4.03Å; Y127-V134 HydrophobicContact CE1-CG2 4.3Å; Y127-V134 HydrophobicContact CG-CG2 3.59Å; V134-I138 HydrophobicContact CG1-CB 4.16Å; V134-I138 HydrophobicContact CG1-CG2 4.16Å; V134-A139 HydrophobicContact CG1-CB 3.75Å; V134-M142 HydrophobicContact CB-CE 4.26Å; V134-M142 HydrophobicContact CG1-CE 3.28Å; V134-M142 HydrophobicContact CG2-CE 3.92Å; V134-I172 HydrophobicContact CB-CD1 4.48Å; V134-I172 WeakPolarHBondContact O-CG2 3.47Å |
| 135 | P | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 143.9 | 173.1 | -21 | 32.8 | 0 | 0 | 0 | 111.9 | A133 K137 I138 A139 | A133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-K137 VanDerWaalsContact C-N 3.29Å; P135-K137 PolarHBondContact O-N 3.49Å; P135-K137 VanDerWaalsContact O-N 3.12Å; P135-I138 HydrophobicContact CB-CB 4.39Å; P135-I138 HydrophobicContact CB-CG1 3.99Å; P135-I138 HydrophobicContact CG-CG1 4.02Å; P135-I138 CarbonylContact O-C 3.52Å; P135-I138 WeakPolarHBondContact O-CA 3.23Å; P135-I138 WeakPolarHBondContact O-CB 3.31Å; P135-I138 PolarHBondContact O-N 2.87Å; P135-A139 PolarHBondContact O-N 2.61Å |
| 136 | A | 98 | Very high | 98.3 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52.4 | -40.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A139 G140 I172 | A136-A139 PolarHBondContact O-N 2.9Å; A136-G140 PolarHBondContact O-N 3.3Å; A136-I172 WeakPolarHBondContact CB-O 3.47Å |
| 137 | K | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 38 Ų | 38 | 49% | 0.487 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.7 | -37.3 | 177 | -62.9 | -173.7 | 166.7 | -164.2 | 0 | 112.8 | F53 G54 L55 P135 G140 I141 | F53-K137 WeakPolarHBondContact O-CD 3.42Å; F53-K137 VanDerWaalsContact O-CE 3.27Å; F53-K137 WeakPolarHBondContact O-CE 3.33Å; F53-K137 WeakPolarHBondContact O-CG 3.27Å; G54-K137 PolarHBondContact O-NZ 3.13Å; L55-K137 HydrophobicContact CD2-CB 3.98Å; L55-K137 HydrophobicContact CD2-CD 4.41Å; L55-K137 HydrophobicContact CG-CB 4.3Å; P135-K137 VanDerWaalsContact C-N 3.29Å; P135-K137 PolarHBondContact O-N 3.49Å; P135-K137 VanDerWaalsContact O-N 3.12Å; K137-G140 PolarHBondContact O-N 2.89Å; K137-I141 PolarHBondContact O-N 2.92Å |
| 138 | I | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -37.3 | 176.6 | -55.8 | -62.6 | 0 | 0 | 0 | 110.1 | I21 A22 N25 V134 P135 G140 I141 M142 | I21-I138 HydrophobicContact CG2-CD1 3.7Å; A22-I138 HydrophobicContact CB-CG2 3.68Å; N25-I138 HydrophobicContact CB-CD1 4.06Å; N25-I138 HydrophobicContact CB-CG1 4.3Å; V134-I138 HydrophobicContact CG1-CB 4.16Å; V134-I138 HydrophobicContact CG1-CG2 4.16Å; P135-I138 HydrophobicContact CB-CB 4.39Å; P135-I138 HydrophobicContact CB-CG1 3.99Å; P135-I138 HydrophobicContact CG-CG1 4.02Å; P135-I138 CarbonylContact O-C 3.52Å; P135-I138 WeakPolarHBondContact O-CA 3.23Å; P135-I138 WeakPolarHBondContact O-CB 3.31Å; P135-I138 PolarHBondContact O-N 2.87Å; I138-G140 VanDerWaalsContact C-N 3.27Å; I138-G140 PolarHBondContact O-N 3.5Å; I138-I141 WeakPolarHBondContact O-CG2 3.4Å; I138-I141 PolarHBondContact O-N 2.73Å; I138-M142 HydrophobicContact CG2-CE 4.06Å; I138-M142 WeakPolarHBondContact O-CG 3.28Å; I138-M142 PolarHBondContact O-N 3.01Å |
| 139 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V134 P135 A136 M142 L143 L169 I172 A173 | V134-A139 HydrophobicContact CG1-CB 3.75Å; P135-A139 PolarHBondContact O-N 2.61Å; A136-A139 PolarHBondContact O-N 2.9Å; A139-M142 PolarHBondContact O-N 3.32Å; A139-L143 VanDerWaalsContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CB 3.12Å; A139-L143 PolarHBondContact O-N 2.82Å; A139-L169 HydrophobicContact CB-CD2 3.83Å; A139-I172 HydrophobicContact CB-CB 3.72Å; A139-I172 HydrophobicContact CB-CG2 3.44Å; A139-I172 VanDerWaalsContact CB-CG2 3.44Å; A139-A173 HydrophobicContact CB-CB 4.21Å |
| 140 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F53 A136 K137 I138 L143 S144 | F53-G140 VanDerWaalsContact CD2-C 3.45Å; F53-G140 WeakPolarHBondContact CE2-O 3.34Å; A136-G140 PolarHBondContact O-N 3.3Å; K137-G140 PolarHBondContact O-N 2.89Å; I138-G140 VanDerWaalsContact C-N 3.27Å; I138-G140 PolarHBondContact O-N 3.5Å; G140-L143 WeakPolarHBondContact O-CB 3.27Å; G140-L143 PolarHBondContact O-N 3.45Å; G140-S144 PolarHBondContact O-N 2.66Å; G140-S144 PolarHBondContact O-OG 3.17Å |
| 141 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.4 | -37.2 | 179.6 | -160.9 | 67.7 | 0 | 0 | 0 | 112.5 | I21 A49 L50 L55 K137 I138 L143 S144 A145 | I21-I141 HydrophobicContact CB-CG2 4.47Å; I21-I141 HydrophobicContact CD1-CG1 4.42Å; I21-I141 HydrophobicContact CG2-CG2 4.19Å; A49-I141 HydrophobicContact CB-CD1 3.69Å; L50-I141 HydrophobicContact CD2-CD1 4.28Å; L55-I141 HydrophobicContact CD1-CB 3.68Å; L55-I141 HydrophobicContact CD1-CG1 4.26Å; L55-I141 HydrophobicContact CD1-CG2 3.95Å; K137-I141 PolarHBondContact O-N 2.92Å; I138-I141 WeakPolarHBondContact O-CG2 3.4Å; I138-I141 PolarHBondContact O-N 2.73Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 3.08Å; I141-S144 WeakPolarHBondContact O-CB 3.4Å; I141-S144 PolarHBondContact O-N 3.24Å; I141-A145 PolarHBondContact O-N 3.16Å |
| 142 | M | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 172.2 | -73.2 | -166 | -71.5 | 0 | 0 | 112.4 | A22 V123 Y127 V134 I138 A139 S144 A145 I146 L169 | A22-M142 HydrophobicContact CB-CG 3.46Å; A22-M142 VanDerWaalsContact CB-CG 3.46Å; A22-M142 HydrophobicContact CB-SD 3.71Å; V123-M142 HydrophobicContact CB-SD 4.11Å; V123-M142 HydrophobicContact CG1-SD 3.81Å; Y127-M142 HydrophobicContact CD2-CE 4.32Å; Y127-M142 HydrophobicContact CE2-CE 4.23Å; Y127-M142 HydrophobicContact CE2-SD 4.41Å; V134-M142 HydrophobicContact CB-CE 4.26Å; V134-M142 HydrophobicContact CG1-CE 3.28Å; V134-M142 HydrophobicContact CG2-CE 3.92Å; I138-M142 HydrophobicContact CG2-CE 4.06Å; I138-M142 WeakPolarHBondContact O-CG 3.28Å; I138-M142 PolarHBondContact O-N 3.01Å; A139-M142 PolarHBondContact O-N 3.32Å; M142-S144 VanDerWaalsContact C-N 3.29Å; M142-S144 PolarHBondContact O-N 3.35Å; M142-A145 WeakPolarHBondContact O-CB 3.2Å; M142-A145 PolarHBondContact O-N 2.93Å; M142-I146 WeakPolarHBondContact O-CG1 3.44Å; M142-I146 PolarHBondContact O-N 2.86Å; M142-I146 VanDerWaalsContact O-N 3.14Å; M142-L169 HydrophobicContact CB-CD1 3.82Å; M142-L169 HydrophobicContact CB-CD2 4.03Å; M142-L169 HydrophobicContact CE-CD2 3.54Å |
| 143 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 173 | 173.4 | 64.3 | 0 | 0 | 0 | 111 | A139 G140 I141 A145 I146 I147 A166 L169 A170 V175 L177 Y180 | A139-L143 VanDerWaalsContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CB 3.12Å; A139-L143 PolarHBondContact O-N 2.82Å; G140-L143 WeakPolarHBondContact O-CB 3.27Å; G140-L143 PolarHBondContact O-N 3.45Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 3.08Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.44Å; L143-I146 PolarHBondContact O-N 2.91Å; L143-I147 HydrophobicContact CD1-CD1 3.8Å; L143-I147 HydrophobicContact CD1-CG1 4.16Å; L143-I147 HydrophobicContact CD2-CD1 4.38Å; L143-I147 HydrophobicContact CG-CD1 3.73Å; L143-I147 HydrophobicContact CG-CG1 4.45Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.17Å; L143-I147 PolarHBondContact O-N 2.89Å; L143-A166 HydrophobicContact CD1-CB 3.81Å; L143-A166 WeakPolarHBondContact CD1-O 3.39Å; L143-L169 HydrophobicContact CB-CB 3.98Å; L143-A170 HydrophobicContact CD1-CB 4.32Å; L143-A170 HydrophobicContact CD2-CB 3.83Å; L143-V175 HydrophobicContact CD2-CG2 3.41Å; L143-V175 VanDerWaalsContact CD2-CG2 3.41Å; L143-L177 HydrophobicContact CD1-CD1 4.3Å; L143-L177 HydrophobicContact CD1-CG 4.41Å; L143-Y180 HydrophobicContact CD2-CD1 3.98Å; L143-Y180 HydrophobicContact CD2-CE1 4.26Å; L143-Y180 HydrophobicContact CG-CD1 4.44Å; L143-Y180 HydrophobicContact CG-CE1 4.41Å |
| 144 | S | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | -180 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | A49 G140 I141 M142 I147 S148 Y180 L184 | A49-S144 WeakPolarHBondContact CB-OG 3.47Å; G140-S144 PolarHBondContact O-N 2.66Å; G140-S144 PolarHBondContact O-OG 3.17Å; I141-S144 WeakPolarHBondContact O-CB 3.4Å; I141-S144 PolarHBondContact O-N 3.24Å; M142-S144 VanDerWaalsContact C-N 3.29Å; M142-S144 PolarHBondContact O-N 3.35Å; S144-I147 PolarHBondContact O-N 2.67Å; S144-S148 WeakPolarHBondContact O-CB 3.31Å; S144-S148 PolarHBondContact O-N 2.58Å; S144-Y180 PolarHBondContact OG-OH 3.19Å; S144-L184 WeakPolarHBondContact O-CD2 3.26Å |
| 145 | A | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | D15 S120 I141 M142 L143 I147 S148 D149 | D15-A145 HydrophobicContact CB-CB 3.82Å; D15-A145 WeakPolarHBondContact OD1-CB 3.29Å; S120-A145 VanDerWaalsContact OG-CB 3.23Å; S120-A145 WeakPolarHBondContact OG-CB 3.22Å; I141-A145 PolarHBondContact O-N 3.16Å; M142-A145 WeakPolarHBondContact O-CB 3.2Å; M142-A145 PolarHBondContact O-N 2.93Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.44Å; A145-I147 VanDerWaalsContact C-N 3.29Å; A145-I147 PolarHBondContact O-N 2.97Å; A145-S148 WeakPolarHBondContact O-CB 3.11Å; A145-S148 PolarHBondContact O-N 3.36Å; A145-D149 PolarHBondContact O-N 3.4Å |
| 146 | I | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 178.6 | -62.3 | 169.2 | 0 | 0 | 0 | 111 | C118 M142 L143 T150 F153 D162 A165 A166 L169 | C118-I146 HydrophobicContact CB-CB 4.39Å; C118-I146 HydrophobicContact CB-CG1 3.97Å; C118-I146 PolarHBondContact SG-N 3.22Å; M142-I146 WeakPolarHBondContact O-CG1 3.44Å; M142-I146 PolarHBondContact O-N 2.86Å; M142-I146 VanDerWaalsContact O-N 3.14Å; L143-I146 PolarHBondContact O-N 2.91Å; I146-T150 HydrophobicContact CG2-CG2 4.11Å; I146-T150 VanDerWaalsContact O-CB 3.23Å; I146-T150 WeakPolarHBondContact O-CB 3.45Å; I146-T150 WeakPolarHBondContact O-CG2 3.31Å; I146-T150 PolarHBondContact O-N 2.68Å; I146-T150 VanDerWaalsContact O-N 3.14Å; I146-T150 PolarHBondContact O-OG1 2.86Å; I146-F153 HydrophobicContact CG2-CE1 4.24Å; I146-D162 HydrophobicContact CG2-CB 4.02Å; I146-A165 HydrophobicContact CD1-CB 3.78Å; I146-A166 HydrophobicContact CD1-CB 4.45Å; I146-A166 HydrophobicContact CG2-CB 3.96Å; I146-L169 HydrophobicContact CD1-CD1 3.53Å |
| 147 | I | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.5 | -69.1 | 168.2 | 0 | 0 | 0 | 111.2 | L143 S144 A145 L151 L152 Y180 L184 L185 | L143-I147 HydrophobicContact CD1-CD1 3.8Å; L143-I147 HydrophobicContact CD1-CG1 4.16Å; L143-I147 HydrophobicContact CD2-CD1 4.38Å; L143-I147 HydrophobicContact CG-CD1 3.73Å; L143-I147 HydrophobicContact CG-CG1 4.45Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.17Å; L143-I147 PolarHBondContact O-N 2.89Å; S144-I147 PolarHBondContact O-N 2.67Å; A145-I147 VanDerWaalsContact C-N 3.29Å; A145-I147 PolarHBondContact O-N 2.97Å; I147-L151 WeakPolarHBondContact O-CA 3.34Å; I147-L151 PolarHBondContact O-N 3.49Å; I147-L152 HydrophobicContact CD1-CD1 4.39Å; I147-L152 HydrophobicContact CG1-CD1 4.12Å; I147-L152 HydrophobicContact CG2-CB 4.47Å; I147-L152 HydrophobicContact CG2-CD1 3.76Å; I147-L152 PolarHBondContact O-N 3.36Å; I147-Y180 HydrophobicContact CD1-CD1 3.79Å; I147-Y180 HydrophobicContact CD1-CE1 4.02Å; I147-L184 HydrophobicContact CB-CD2 4.01Å; I147-L184 HydrophobicContact CG2-CD2 3.92Å; I147-L185 HydrophobicContact CG2-CD1 4.42Å; I147-L185 HydrophobicContact CG2-CD2 4.46Å; I147-L185 HydrophobicContact CG2-CG 4.16Å |
| 148 | S | 93.3 | Very high | 89.1 | Confident | 16 Ų | 16 | 17.2 Ų | 17.2 | 11% | 0.112 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -55.7 | -64.7 | 176 | 163.6 | 0 | 0 | 0 | 0 | 111 | E45 S144 A145 T150 L151 | E45-S148 WeakPolarHBondContact OE1-CB 3.3Å; E45-S148 PolarHBondContact OE1-OG 2.71Å; S144-S148 WeakPolarHBondContact O-CB 3.31Å; S144-S148 PolarHBondContact O-N 2.58Å; A145-S148 WeakPolarHBondContact O-CB 3.11Å; A145-S148 PolarHBondContact O-N 3.36Å; S148-T150 VanDerWaalsContact C-N 3.25Å; S148-T150 PolarHBondContact O-N 3.45Å; S148-L151 PolarHBondContact O-N 3.03Å |
| 149 | D | 90.5 | Very high | 88.4 | Confident | 27 Ų | 27 | 17.1 Ų | 17.1 | 14% | 0.144 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.8 | -29.2 | -170.3 | -57.3 | -6.9 | 0 | 0 | 0 | 112.7 | D15 G117 C118 A145 | D15-D149 VanDerWaalsContact CB-OD2 3.24Å; D15-D149 WeakPolarHBondContact CB-OD2 3.47Å; D15-D149 VanDerWaalsContact OD2-OD2 3.06Å; G117-D149 VanDerWaalsContact O-CB 3.32Å; G117-D149 WeakPolarHBondContact O-CB 3.41Å; C118-D149 WeakPolarHBondContact CA-OD2 3.42Å; C118-D149 HydrophobicContact CB-CB 4.19Å; C118-D149 WeakPolarHBondContact CB-OD2 3.39Å; C118-D149 PolarHBondContact SG-OD2 3.38Å; A145-D149 PolarHBondContact O-N 3.4Å |
| 150 | T | 86.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -90.1 | -3.2 | 179 | 73.6 | 0 | 0 | 0 | 0 | 113 | I146 S148 L152 F153 K154 S155 C158 D162 | I146-T150 HydrophobicContact CG2-CG2 4.11Å; I146-T150 VanDerWaalsContact O-CB 3.23Å; I146-T150 WeakPolarHBondContact O-CB 3.45Å; I146-T150 WeakPolarHBondContact O-CG2 3.31Å; I146-T150 PolarHBondContact O-N 2.68Å; I146-T150 VanDerWaalsContact O-N 3.14Å; I146-T150 PolarHBondContact O-OG1 2.86Å; S148-T150 VanDerWaalsContact C-N 3.25Å; S148-T150 PolarHBondContact O-N 3.45Å; T150-L152 VanDerWaalsContact C-N 3.29Å; T150-L152 PolarHBondContact O-N 3.46Å; T150-F153 CarbonylContact O-C 3.56Å; T150-F153 WeakPolarHBondContact O-CA 3.35Å; T150-F153 PolarHBondContact O-N 2.65Å; T150-F153 PolarHBondContact OG1-N 3.03Å; T150-F153 VanDerWaalsContact OG1-N 3.08Å; T150-K154 PolarHBondContact O-N 3Å; T150-S155 VanDerWaalsContact O-CB 3.27Å; T150-S155 WeakPolarHBondContact O-CB 3.45Å; T150-S155 PolarHBondContact O-N 3.45Å; T150-C158 HydrophobicContact CG2-CB 3.91Å; T150-D162 HydrophobicContact CG2-CB 4.18Å |
| 151 | L | 82.7 | Confident | 87.7 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 54.1 | -172.2 | -65.1 | 176 | 0 | 0 | 0 | 111.7 | I147 S148 F153 K154 L185 T255 V257 V293 | I147-L151 WeakPolarHBondContact O-CA 3.34Å; I147-L151 PolarHBondContact O-N 3.49Å; S148-L151 PolarHBondContact O-N 3.03Å; L151-F153 VanDerWaalsContact C-N 3.34Å; L151-F153 PolarHBondContact O-N 3Å; L151-K154 WeakPolarHBondContact O-CB 3.3Å; L151-K154 WeakPolarHBondContact O-CG 3.44Å; L151-K154 PolarHBondContact O-N 2.94Å; L151-L185 HydrophobicContact CD2-CD2 4.11Å; L151-T255 HydrophobicContact CD1-CG2 4.36Å; L151-V257 HydrophobicContact CD2-CG1 4.21Å; L151-V293 HydrophobicContact CD1-CB 3.71Å; L151-V293 HydrophobicContact CD1-CG1 4.34Å; L151-V293 HydrophobicContact CD1-CG2 4Å |
| 152 | L | 85.1 | Confident | 87.5 | Confident | 18 Ų | 18 | 24.7 Ų | 24.7 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 49.4 | -173.3 | -157.3 | 74.2 | 0 | 0 | 0 | 112.3 | I147 T150 K154 L177 L182 L185 | I147-L152 HydrophobicContact CD1-CD1 4.39Å; I147-L152 HydrophobicContact CG1-CD1 4.12Å; I147-L152 HydrophobicContact CG2-CB 4.47Å; I147-L152 HydrophobicContact CG2-CD1 3.76Å; I147-L152 PolarHBondContact O-N 3.36Å; T150-L152 VanDerWaalsContact C-N 3.29Å; T150-L152 PolarHBondContact O-N 3.46Å; L152-K154 VanDerWaalsContact C-N 3.26Å; L152-K154 PolarHBondContact O-N 2.95Å; L152-L177 HydrophobicContact CD1-CD2 4.2Å; L152-L182 HydrophobicContact CD2-CD2 4.03Å; L152-L182 HydrophobicContact CD2-CG 4.11Å; L152-L185 HydrophobicContact CB-CD1 3.87Å |
| 153 | F | 85.1 | Confident | 87 | Confident | 46 Ų | 46 | 26.4 Ų | 26.4 | 20% | 0.202 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 13.3 | -179.8 | -36.5 | -56.6 | 0 | 0 | 0 | 116.8 | I146 T150 L151 I163 A166 L177 | I146-F153 HydrophobicContact CG2-CE1 4.24Å; T150-F153 CarbonylContact O-C 3.56Å; T150-F153 WeakPolarHBondContact O-CA 3.35Å; T150-F153 PolarHBondContact O-N 2.65Å; T150-F153 PolarHBondContact OG1-N 3.03Å; T150-F153 VanDerWaalsContact OG1-N 3.08Å; L151-F153 VanDerWaalsContact C-N 3.34Å; L151-F153 PolarHBondContact O-N 3Å; F153-I163 HydrophobicContact CB-CG1 4.32Å; F153-I163 HydrophobicContact CD1-CG1 3.78Å; F153-I163 HydrophobicContact CE1-CG1 4.24Å; F153-I163 HydrophobicContact CG-CG1 3.99Å; F153-A166 HydrophobicContact CE1-CB 3.64Å; F153-A166 HydrophobicContact CZ-CB 3.57Å; F153-L177 HydrophobicContact CE2-CD1 4.35Å; F153-L177 HydrophobicContact CE2-CD2 3.43Å; F153-L177 VanDerWaalsContact CE2-CD2 3.43Å; F153-L177 HydrophobicContact CZ-CD1 3.97Å; F153-L177 HydrophobicContact CZ-CD2 3.69Å; F153-L177 HydrophobicContact CZ-CG 4.38Å |
| 154 | K | 70.4 | Confident | 86.8 | Confident | 81 Ų | 81 | 30.9 Ų | 30.9 | 35% | 0.352 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -19.8 | 178 | -54.9 | 178.7 | -169.6 | 169.6 | 0 | 113 | T150 L151 L152 V257 L258 S260 | T150-K154 PolarHBondContact O-N 3Å; L151-K154 WeakPolarHBondContact O-CB 3.3Å; L151-K154 WeakPolarHBondContact O-CG 3.44Å; L151-K154 PolarHBondContact O-N 2.94Å; L152-K154 VanDerWaalsContact C-N 3.26Å; L152-K154 PolarHBondContact O-N 2.95Å; K154-V257 PolarHBondContact NZ-O 3.02Å; K154-L258 PolarHBondContact NZ-O 3.49Å; K154-S260 WeakPolarHBondContact CB-OG 3.29Å; K154-S260 WeakPolarHBondContact CD-OG 3.37Å |
| 155 | S | 73 | Confident | 86.8 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -64.1 | 138.3 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 111 | T150 T157 C158 | T150-S155 VanDerWaalsContact O-CB 3.27Å; T150-S155 WeakPolarHBondContact O-CB 3.45Å; T150-S155 PolarHBondContact O-N 3.45Å; S155-T157 PolarHBondContact O-N 2.99Å; S155-T157 VanDerWaalsContact O-N 3.16Å; S155-T157 PolarHBondContact OG-N 2.95Å; S155-T157 PolarHBondContact OG-OG1 2.73Å; S155-C158 WeakPolarHBondContact O-CB 3.46Å; S155-C158 PolarHBondContact O-N 3.37Å |
| 156 | P | 68.7 | Low | 86.7 | Confident | 77 Ų | 77 | 31.1 Ų | 31.1 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.1 | 175.3 | 26 | -32.4 | 0 | 0 | 0 | 113.6 | C158 L297 | P156-C158 VanDerWaalsContact C-N 3.3Å; P156-L297 HydrophobicContact CB-CD1 4.3Å; P156-L297 HydrophobicContact CG-CD1 3.45Å; P156-L297 VanDerWaalsContact CG-CD1 3.45Å; P156-L297 HydrophobicContact CG-CG 4.47Å |
| 157 | T | 76.4 | Confident | 86.6 | Confident | 49 Ų | 49 | 35.4 Ų | 35.4 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -22.6 | 171.5 | 62 | 0 | 0 | 0 | 0 | 112.1 | G117 S155 T159 | G117-T157 WeakPolarHBondContact CA-O 3.41Å; G117-T157 PolarHBondContact N-O 3.36Å; S155-T157 PolarHBondContact O-N 2.99Å; S155-T157 VanDerWaalsContact O-N 3.16Å; S155-T157 PolarHBondContact OG-N 2.95Å; S155-T157 PolarHBondContact OG-OG1 2.73Å; T157-T159 PolarHBondContact O-N 3.47Å |
| 158 | C | 78.8 | Confident | 86.8 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | trans | -61.9 | 129.3 | -176.4 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | T150 S155 P156 | T150-C158 HydrophobicContact CG2-CB 3.91Å; S155-C158 WeakPolarHBondContact O-CB 3.46Å; S155-C158 PolarHBondContact O-N 3.37Å; P156-C158 VanDerWaalsContact C-N 3.3Å | ||
| 159 | T | 82.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -108.8 | 170.5 | 174.2 | 77.4 | 0 | 0 | 0 | 0 | 111.1 | T157 E161 D162 I163 | T157-T159 PolarHBondContact O-N 3.47Å; T159-E161 PolarHBondContact O-N 3.31Å; T159-E161 PolarHBondContact OG1-N 2.92Å; T159-D162 WeakPolarHBondContact CA-OD2 3.25Å; T159-D162 VanDerWaalsContact CB-OD2 3.25Å; T159-D162 WeakPolarHBondContact CB-OD2 3.34Å; T159-D162 PolarHBondContact N-OD2 3.46Å; T159-D162 PolarHBondContact O-N 2.64Å; T159-D162 PolarHBondContact OG1-N 2.88Å; T159-D162 PolarHBondContact OG1-OD2 2.98Å; T159-I163 PolarHBondContact O-N 2.77Å | ||
| 160 | Q | 87.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 36.8 Ų | 36.8 | 33% | 0.327 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63 | -29.3 | 172 | -173.4 | 63.7 | 63.8 | 0 | 0 | 111.6 | D162 I163 D164 | Q160-D162 VanDerWaalsContact C-N 3.32Å; Q160-I163 PolarHBondContact O-N 2.9Å; Q160-D164 PolarHBondContact NE2-OD1 3.14Å; Q160-D164 WeakPolarHBondContact O-CB 3.45Å; Q160-D164 PolarHBondContact O-N 3.44Å |
| 161 | E | 96.4 | Very high | 87.8 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.6 | -35.5 | -179.8 | -58.7 | -176.5 | -117.2 | 0 | 0 | 111 | V116 T121 K125 T159 A165 | V116-E161 HydrophobicContact CG1-CB 4.42Å; T121-E161 HydrophobicContact CG2-CB 4.2Å; K125-E161 WeakPolarHBondContact CE-OE2 3.49Å; K125-E161 IonicContact NZ-OE2 2.84Å; K125-E161 PolarHBondContact NZ-OE2 3.07Å; T159-E161 PolarHBondContact O-N 3.31Å; T159-E161 PolarHBondContact OG1-N 2.92Å; E161-A165 WeakPolarHBondContact O-CB 3.01Å; E161-A165 PolarHBondContact O-N 3.41Å |
| 162 | D | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 173.6 | -52.6 | -68.2 | 0 | 0 | 0 | 111.4 | G117 C118 T121 I146 T150 T159 Q160 A165 A166 | G117-D162 WeakPolarHBondContact CA-OD2 3.49Å; G117-D162 VanDerWaalsContact N-CG 3.25Å; G117-D162 PolarHBondContact N-OD1 2.83Å; G117-D162 PolarHBondContact N-OD2 3.47Å; C118-D162 PolarHBondContact N-OD1 3.25Å; T121-D162 WeakPolarHBondContact CB-OD1 3.48Å; T121-D162 PolarHBondContact OG1-OD1 3.16Å; I146-D162 HydrophobicContact CG2-CB 4.02Å; T150-D162 HydrophobicContact CG2-CB 4.18Å; T159-D162 WeakPolarHBondContact CA-OD2 3.25Å; T159-D162 VanDerWaalsContact CB-OD2 3.25Å; T159-D162 WeakPolarHBondContact CB-OD2 3.34Å; T159-D162 PolarHBondContact N-OD2 3.46Å; T159-D162 PolarHBondContact O-N 2.64Å; T159-D162 PolarHBondContact OG1-N 2.88Å; T159-D162 PolarHBondContact OG1-OD2 2.98Å; Q160-D162 VanDerWaalsContact C-N 3.32Å; D162-A165 PolarHBondContact O-N 2.93Å; D162-A166 VanDerWaalsContact O-CB 3.26Å; D162-A166 WeakPolarHBondContact O-CB 3.32Å; D162-A166 PolarHBondContact O-N 2.8Å |
| 163 | I | 87.9 | Confident | 89.2 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.4 | -63.4 | 169.7 | 0 | 0 | 0 | 110.4 | F153 T159 Q160 A166 N167 | F153-I163 HydrophobicContact CB-CG1 4.32Å; F153-I163 HydrophobicContact CD1-CG1 3.78Å; F153-I163 HydrophobicContact CE1-CG1 4.24Å; F153-I163 HydrophobicContact CG-CG1 3.99Å; T159-I163 PolarHBondContact O-N 2.77Å; Q160-I163 PolarHBondContact O-N 2.9Å; I163-A166 PolarHBondContact O-N 2.86Å; I163-N167 PolarHBondContact O-N 3.32Å; I163-N167 PolarHBondContact O-ND2 2.91Å |
| 164 | D | 94.8 | Very high | 89.7 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | -180 | -66.5 | -10.9 | 0 | 0 | 0 | 110.6 | Q160 N167 E168 | Q160-D164 PolarHBondContact NE2-OD1 3.14Å; Q160-D164 WeakPolarHBondContact O-CB 3.45Å; Q160-D164 PolarHBondContact O-N 3.44Å; D164-N167 PolarHBondContact O-N 2.91Å; D164-E168 PolarHBondContact O-N 3.33Å; D164-E168 VanDerWaalsContact O-N 3.08Å |
| 165 | A | 98.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | T121 L124 I146 E161 D162 N167 E168 L169 | T121-A165 HydrophobicContact CG2-CB 4.12Å; L124-A165 HydrophobicContact CD2-CB 3.53Å; I146-A165 HydrophobicContact CD1-CB 3.78Å; E161-A165 WeakPolarHBondContact O-CB 3.01Å; E161-A165 PolarHBondContact O-N 3.41Å; D162-A165 PolarHBondContact O-N 2.93Å; A165-N167 PolarHBondContact O-N 2.86Å; A165-E168 PolarHBondContact O-N 3.3Å; A165-L169 WeakPolarHBondContact O-CB 3.38Å; A165-L169 WeakPolarHBondContact O-CD1 2.91Å; A165-L169 WeakPolarHBondContact O-CG 3.29Å; A165-L169 PolarHBondContact O-N 3.1Å |
| 166 | A | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L143 I146 F153 D162 I163 L169 A170 L177 | L143-A166 HydrophobicContact CD1-CB 3.81Å; L143-A166 WeakPolarHBondContact CD1-O 3.39Å; I146-A166 HydrophobicContact CD1-CB 4.45Å; I146-A166 HydrophobicContact CG2-CB 3.96Å; F153-A166 HydrophobicContact CE1-CB 3.64Å; F153-A166 HydrophobicContact CZ-CB 3.57Å; D162-A166 VanDerWaalsContact O-CB 3.26Å; D162-A166 WeakPolarHBondContact O-CB 3.32Å; D162-A166 PolarHBondContact O-N 2.8Å; I163-A166 PolarHBondContact O-N 2.86Å; A166-L169 PolarHBondContact O-N 3.48Å; A166-A170 VanDerWaalsContact O-CB 3.23Å; A166-A170 WeakPolarHBondContact O-CB 3.48Å; A166-A170 PolarHBondContact O-N 3.37Å; A166-L177 HydrophobicContact CB-CD1 3.92Å |
| 167 | N | 95.8 | Very high | 92.3 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 174.9 | -77.6 | -76.3 | 0 | 0 | 0 | 111.8 | I163 D164 A165 A170 E171 | I163-N167 PolarHBondContact O-N 3.32Å; I163-N167 PolarHBondContact O-ND2 2.91Å; D164-N167 PolarHBondContact O-N 2.91Å; A165-N167 PolarHBondContact O-N 2.86Å; N167-A170 PolarHBondContact O-N 3.14Å; N167-E171 PolarHBondContact O-N 3.47Å; N167-E171 VanDerWaalsContact O-N 3.16Å |
| 168 | E | 98 | Very high | 92.5 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 176.4 | -176.4 | 174.1 | 161.1 | 0 | 0 | 111.2 | K128 D164 A165 E171 I172 | K128-E168 IonicContact NZ-OE1 3.54Å; K128-E168 PolarHBondContact NZ-OE1 2.93Å; K128-E168 IonicContact NZ-OE2 2.81Å; K128-E168 PolarHBondContact NZ-OE2 3.37Å; D164-E168 PolarHBondContact O-N 3.33Å; D164-E168 VanDerWaalsContact O-N 3.08Å; A165-E168 PolarHBondContact O-N 3.3Å; E168-E171 PolarHBondContact O-N 3.1Å; E168-I172 HydrophobicContact CG-CD1 4.11Å; E168-I172 VanDerWaalsContact O-CG1 3.31Å; E168-I172 WeakPolarHBondContact O-CG1 3.28Å; E168-I172 PolarHBondContact O-N 3.24Å; E168-I172 VanDerWaalsContact O-N 3.1Å |
| 169 | L | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67 | -38.3 | 179.6 | -69.6 | 164.5 | 0 | 0 | 0 | 112.4 | L124 A139 M142 L143 I146 A165 A166 E171 I172 A173 | L124-L169 HydrophobicContact CD1-CD2 4.08Å; L124-L169 HydrophobicContact CD2-CD1 4.18Å; L124-L169 HydrophobicContact CD2-CD2 4.44Å; L124-L169 HydrophobicContact CD2-CG 4.04Å; A139-L169 HydrophobicContact CB-CD2 3.83Å; M142-L169 HydrophobicContact CB-CD1 3.82Å; M142-L169 HydrophobicContact CB-CD2 4.03Å; M142-L169 HydrophobicContact CE-CD2 3.54Å; L143-L169 HydrophobicContact CB-CB 3.98Å; I146-L169 HydrophobicContact CD1-CD1 3.53Å; A165-L169 WeakPolarHBondContact O-CB 3.38Å; A165-L169 WeakPolarHBondContact O-CD1 2.91Å; A165-L169 WeakPolarHBondContact O-CG 3.29Å; A165-L169 PolarHBondContact O-N 3.1Å; A166-L169 PolarHBondContact O-N 3.48Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 3.04Å; L169-I172 PolarHBondContact O-N 2.93Å; L169-A173 WeakPolarHBondContact O-CB 3.46Å; L169-A173 PolarHBondContact O-N 3.4Å |
| 170 | A | 96.5 | Very high | 93 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L143 A166 N167 R174 V175 L177 | L143-A170 HydrophobicContact CD1-CB 4.32Å; L143-A170 HydrophobicContact CD2-CB 3.83Å; A166-A170 VanDerWaalsContact O-CB 3.23Å; A166-A170 WeakPolarHBondContact O-CB 3.48Å; A166-A170 PolarHBondContact O-N 3.37Å; N167-A170 PolarHBondContact O-N 3.14Å; A170-R174 WeakPolarHBondContact O-CA 3.25Å; A170-R174 PolarHBondContact O-N 3.08Å; A170-V175 HydrophobicContact CB-CG2 4.3Å; A170-V175 PolarHBondContact O-N 3.05Å; A170-V175 VanDerWaalsContact O-N 3.12Å; A170-L177 HydrophobicContact CB-CB 3.98Å; A170-L177 HydrophobicContact CB-CD1 4.04Å; A170-L177 HydrophobicContact CB-CG 4.37Å |
| 171 | E | 96.7 | Very high | 93 | Very high | 162 Ų | 162 | 53.1 Ų | 53.1 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 173.2 | -172.7 | 176.4 | 173.2 | 0 | 0 | 111.4 | N167 E168 L169 R174 | N167-E171 PolarHBondContact O-N 3.47Å; N167-E171 VanDerWaalsContact O-N 3.16Å; E168-E171 PolarHBondContact O-N 3.1Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 3.04Å; E171-R174 PolarHBondContact O-N 3.37Å |
| 172 | I | 98.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 179.3 | -62.5 | 165.6 | 0 | 0 | 0 | 111.3 | V134 A136 A139 E168 L169 R174 | V134-I172 HydrophobicContact CB-CD1 4.48Å; V134-I172 WeakPolarHBondContact O-CG2 3.47Å; A136-I172 WeakPolarHBondContact CB-O 3.47Å; A139-I172 HydrophobicContact CB-CB 3.72Å; A139-I172 HydrophobicContact CB-CG2 3.44Å; A139-I172 VanDerWaalsContact CB-CG2 3.44Å; E168-I172 HydrophobicContact CG-CD1 4.11Å; E168-I172 VanDerWaalsContact O-CG1 3.31Å; E168-I172 WeakPolarHBondContact O-CG1 3.28Å; E168-I172 PolarHBondContact O-N 3.24Å; E168-I172 VanDerWaalsContact O-N 3.1Å; L169-I172 PolarHBondContact O-N 2.93Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 3.3Å |
| 173 | A | 97.7 | Very high | 92 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 12% | 0.116 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.6 | -16.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F53 A139 L169 V175 | F53-A173 HydrophobicContact CE1-CB 4.05Å; F53-A173 HydrophobicContact CZ-CB 4.45Å; A139-A173 HydrophobicContact CB-CB 4.21Å; L169-A173 WeakPolarHBondContact O-CB 3.46Å; L169-A173 PolarHBondContact O-N 3.4Å; A173-V175 HydrophobicContact CB-CG2 4.22Å |
| 174 | R | 96.4 | Very high | 92.2 | Very high | 221 Ų | 221 | 54 Ų | 54 | 83% | 0.834 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 45.2 | -179.9 | -52 | 176.2 | -177.3 | 175 | -0 | 113.3 | A170 E171 I172 | A170-R174 WeakPolarHBondContact O-CA 3.25Å; A170-R174 PolarHBondContact O-N 3.08Å; E171-R174 PolarHBondContact O-N 3.37Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 3.3Å |
| 175 | V | 90.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | trans | -120.7 | 151.3 | 177 | -61.9 | 0 | 0 | 0 | 0 | 111 | F53 L143 A170 A173 L177 Y180 | F53-V175 HydrophobicContact CE1-CG1 3.88Å; F53-V175 HydrophobicContact CZ-CG1 4.12Å; L143-V175 HydrophobicContact CD2-CG2 3.41Å; L143-V175 VanDerWaalsContact CD2-CG2 3.41Å; A170-V175 HydrophobicContact CB-CG2 4.3Å; A170-V175 PolarHBondContact O-N 3.05Å; A170-V175 VanDerWaalsContact O-N 3.12Å; A173-V175 HydrophobicContact CB-CG2 4.22Å; V175-L177 PolarHBondContact O-N 3.25Å; V175-Y180 HydrophobicContact CB-CG 4.41Å; V175-Y180 HydrophobicContact CG2-CD1 4.31Å; V175-Y180 HydrophobicContact CG2-CG 4.26Å | ||
| 176 | D | 91.9 | Very high | 91 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -77.9 | 113.9 | 167.2 | -178.2 | 96.2 | 0 | 0 | 0 | 108.2 | N178 S179 Y180 K588 | D176-N178 VanDerWaalsContact C-N 3.35Å; D176-N178 PolarHBondContact O-N 3.3Å; D176-S179 PolarHBondContact O-N 3.32Å; D176-S179 WeakPolarHBondContact OD2-CB 3.36Å; D176-S179 PolarHBondContact OD2-N 3.43Å; D176-S179 VanDerWaalsContact OD2-N 3.08Å; D176-S179 PolarHBondContact OD2-OG 2.82Å; D176-Y180 VanDerWaalsContact O-CB 3.27Å; D176-Y180 WeakPolarHBondContact O-CB 3.21Å; D176-Y180 PolarHBondContact O-N 2.8Å; D176-K588 IonicContact OD1-NZ 3.99Å; D176-K588 PolarHBondContact OD1-NZ 2.82Å | ||
| 177 | L | 84.5 | Confident | 90.5 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.5 | -46.8 | -169.1 | -173.4 | 153.8 | 0 | 0 | 0 | 113.2 | L143 L152 F153 A166 A170 V175 G181 | L143-L177 HydrophobicContact CD1-CD1 4.3Å; L143-L177 HydrophobicContact CD1-CG 4.41Å; L152-L177 HydrophobicContact CD1-CD2 4.2Å; F153-L177 HydrophobicContact CE2-CD1 4.35Å; F153-L177 HydrophobicContact CE2-CD2 3.43Å; F153-L177 VanDerWaalsContact CE2-CD2 3.43Å; F153-L177 HydrophobicContact CZ-CD1 3.97Å; F153-L177 HydrophobicContact CZ-CD2 3.69Å; F153-L177 HydrophobicContact CZ-CG 4.38Å; A166-L177 HydrophobicContact CB-CD1 3.92Å; A170-L177 HydrophobicContact CB-CB 3.98Å; A170-L177 HydrophobicContact CB-CD1 4.04Å; A170-L177 HydrophobicContact CB-CG 4.37Å; V175-L177 PolarHBondContact O-N 3.25Å; L177-G181 PolarHBondContact O-N 3.18Å |
| 178 | N | 80.2 | Confident | 89.9 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.8 | -44.1 | -175.6 | -65 | -53.3 | 0 | 0 | 0 | 111.2 | D176 G181 L182 | D176-N178 VanDerWaalsContact C-N 3.35Å; D176-N178 PolarHBondContact O-N 3.3Å; N178-G181 PolarHBondContact O-N 3.27Å; N178-L182 WeakPolarHBondContact O-CB 3.32Å; N178-L182 WeakPolarHBondContact O-CG 3.44Å; N178-L182 PolarHBondContact O-N 2.58Å |
| 179 | S | 78.8 | Confident | 89 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 46% | 0.462 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | -179.7 | -49.7 | 0 | 0 | 0 | 0 | 110.5 | D176 G181 L182 D183 | D176-S179 PolarHBondContact O-N 3.32Å; D176-S179 WeakPolarHBondContact OD2-CB 3.36Å; D176-S179 PolarHBondContact OD2-N 3.43Å; D176-S179 VanDerWaalsContact OD2-N 3.08Å; D176-S179 PolarHBondContact OD2-OG 2.82Å; S179-G181 VanDerWaalsContact C-N 3.35Å; S179-G181 PolarHBondContact O-N 2.69Å; S179-L182 PolarHBondContact O-N 3.12Å; S179-D183 PolarHBondContact O-N 3.28Å; S179-D183 VanDerWaalsContact O-N 3.16Å |
| 180 | Y | 92.2 | Very high | 88 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 175.6 | 172.2 | -106.3 | 0 | 0 | 0 | 111.9 | F48 H52 F53 L143 S144 I147 V175 D176 L182 D183 L184 | F48-Y180 HydrophobicContact CE1-CD2 4.42Å; F48-Y180 AromaticContact CE1-CE2 3.84Å; F48-Y180 HydrophobicContact CE1-CE2 3.84Å; H52-Y180 HydrophobicContact CB-CE2 4.28Å; H52-Y180 AromaticContact CD2-CD2 3.98Å; H52-Y180 AromaticContact CD2-CE2 3.67Å; H52-Y180 AromaticContact CE1-CD2 3.83Å; H52-Y180 AromaticContact CG-CE2 3.73Å; H52-Y180 AromaticContact ND1-CE2 3.99Å; H52-Y180 AromaticContact NE2-CD2 3.73Å; H52-Y180 AromaticContact NE2-CE2 3.93Å; F53-Y180 HydrophobicContact CE2-CE1 4.08Å; F53-Y180 AromaticContact CE2-CE2 3.92Å; F53-Y180 HydrophobicContact CE2-CE2 3.92Å; F53-Y180 AromaticContact CE2-CZ 3.5Å; F53-Y180 VanDerWaalsContact CE2-CZ 3.5Å; F53-Y180 VanDerWaalsContact CE2-OH 3.27Å; F53-Y180 WeakPolarHBondContact CE2-OH 3.5Å; F53-Y180 HydrophobicContact CZ-CE1 4.16Å; F53-Y180 AromaticContact CZ-CE2 3.98Å; F53-Y180 HydrophobicContact CZ-CE2 3.98Å; F53-Y180 AromaticContact CZ-CZ 3.82Å; L143-Y180 HydrophobicContact CD2-CD1 3.98Å; L143-Y180 HydrophobicContact CD2-CE1 4.26Å; L143-Y180 HydrophobicContact CG-CD1 4.44Å; L143-Y180 HydrophobicContact CG-CE1 4.41Å; S144-Y180 PolarHBondContact OG-OH 3.19Å; I147-Y180 HydrophobicContact CD1-CD1 3.79Å; I147-Y180 HydrophobicContact CD1-CE1 4.02Å; V175-Y180 HydrophobicContact CB-CG 4.41Å; V175-Y180 HydrophobicContact CG2-CD1 4.31Å; V175-Y180 HydrophobicContact CG2-CG 4.26Å; D176-Y180 VanDerWaalsContact O-CB 3.27Å; D176-Y180 WeakPolarHBondContact O-CB 3.21Å; D176-Y180 PolarHBondContact O-N 2.8Å; Y180-L182 PolarHBondContact O-N 3.47Å; Y180-D183 PolarHBondContact O-N 2.88Å; Y180-L184 HydrophobicContact CE1-CB 4.47Å; Y180-L184 HydrophobicContact CE1-CD2 4.1Å; Y180-L184 WeakPolarHBondContact O-CB 3.4Å; Y180-L184 PolarHBondContact O-N 3.18Å |
| 181 | G | 87.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.8 | -35.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L177 N178 S179 L185 | L177-G181 PolarHBondContact O-N 3.18Å; N178-G181 PolarHBondContact O-N 3.27Å; S179-G181 VanDerWaalsContact C-N 3.35Å; S179-G181 PolarHBondContact O-N 2.69Å; G181-L185 VanDerWaalsContact O-CG 3.3Å; G181-L185 WeakPolarHBondContact O-CG 3.39Å; G181-L185 PolarHBondContact O-N 3.16Å |
| 182 | L | 81.5 | Confident | 86.1 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 171.9 | -72.7 | 172.1 | 0 | 0 | 0 | 111.8 | L152 N178 S179 Y180 L184 K186 L258 | L152-L182 HydrophobicContact CD2-CD2 4.03Å; L152-L182 HydrophobicContact CD2-CG 4.11Å; N178-L182 WeakPolarHBondContact O-CB 3.32Å; N178-L182 WeakPolarHBondContact O-CG 3.44Å; N178-L182 PolarHBondContact O-N 2.58Å; S179-L182 PolarHBondContact O-N 3.12Å; Y180-L182 PolarHBondContact O-N 3.47Å; L182-L184 VanDerWaalsContact C-N 3.35Å; L182-K186 VanDerWaalsContact O-CB 3.32Å; L182-K186 WeakPolarHBondContact O-CB 3.4Å; L182-K186 WeakPolarHBondContact O-CG 3.3Å; L182-K186 PolarHBondContact O-N 2.86Å; L182-L258 HydrophobicContact CD2-CD2 4.15Å |
| 183 | D | 87.9 | Confident | 85.3 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.3 | -69.3 | -19 | 0 | 0 | 0 | 111.4 | F48 S179 Y180 K186 A187 | F48-D183 HydrophobicContact CE1-CB 4.33Å; F48-D183 HydrophobicContact CZ-CB 3.76Å; S179-D183 PolarHBondContact O-N 3.28Å; S179-D183 VanDerWaalsContact O-N 3.16Å; Y180-D183 PolarHBondContact O-N 2.88Å; D183-K186 PolarHBondContact O-N 2.79Å; D183-A187 PolarHBondContact O-N 3.37Å |
| 184 | L | 92.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -56.4 | 174.4 | 177.5 | 67.8 | 0 | 0 | 0 | 111.1 | E45 F48 A49 S144 I147 Y180 L182 K186 A187 G188 | E45-L184 HydrophobicContact CG-CD1 3.61Å; E45-L184 HydrophobicContact CG-CG 3.8Å; E45-L184 VanDerWaalsContact O-CD1 3.31Å; E45-L184 WeakPolarHBondContact O-CD1 3.35Å; F48-L184 HydrophobicContact CD1-CB 4.27Å; F48-L184 HydrophobicContact CD1-CD1 3.75Å; F48-L184 HydrophobicContact CE1-CB 4.22Å; F48-L184 HydrophobicContact CE1-CD1 4.45Å; A49-L184 HydrophobicContact CB-CD1 3.85Å; S144-L184 WeakPolarHBondContact O-CD2 3.26Å; I147-L184 HydrophobicContact CB-CD2 4.01Å; I147-L184 HydrophobicContact CG2-CD2 3.92Å; Y180-L184 HydrophobicContact CE1-CB 4.47Å; Y180-L184 HydrophobicContact CE1-CD2 4.1Å; Y180-L184 WeakPolarHBondContact O-CB 3.4Å; Y180-L184 PolarHBondContact O-N 3.18Å; L182-L184 VanDerWaalsContact C-N 3.35Å; L184-K186 VanDerWaalsContact C-N 3.29Å; L184-K186 PolarHBondContact O-N 3.48Å; L184-A187 WeakPolarHBondContact O-CB 3.34Å; L184-A187 PolarHBondContact O-N 2.94Å; L184-G188 PolarHBondContact O-N 3.34Å |
| 185 | L | 85.7 | Confident | 84.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | -178.6 | -70.1 | 175 | 0 | 0 | 0 | 111.4 | I147 L151 L152 G181 A187 G188 T189 V257 | I147-L185 HydrophobicContact CG2-CD1 4.42Å; I147-L185 HydrophobicContact CG2-CD2 4.46Å; I147-L185 HydrophobicContact CG2-CG 4.16Å; L151-L185 HydrophobicContact CD2-CD2 4.11Å; L152-L185 HydrophobicContact CB-CD1 3.87Å; G181-L185 VanDerWaalsContact O-CG 3.3Å; G181-L185 WeakPolarHBondContact O-CG 3.39Å; G181-L185 PolarHBondContact O-N 3.16Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.98Å; L185-G188 PolarHBondContact O-N 3.28Å; L185-G188 VanDerWaalsContact O-N 3.14Å; L185-T189 WeakPolarHBondContact O-CG2 3.31Å; L185-T189 PolarHBondContact O-N 3.1Å; L185-V257 HydrophobicContact CB-CG2 4.29Å |
| 186 | K | 81.6 | Confident | 84.5 | Confident | 104 Ų | 104 | 44.5 Ų | 44.5 | 45% | 0.452 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 175.5 | -77.2 | 174.6 | 180 | 180 | 0 | 113.2 | L182 D183 L184 G188 T189 V222 | L182-K186 VanDerWaalsContact O-CB 3.32Å; L182-K186 WeakPolarHBondContact O-CB 3.4Å; L182-K186 WeakPolarHBondContact O-CG 3.3Å; L182-K186 PolarHBondContact O-N 2.86Å; D183-K186 PolarHBondContact O-N 2.79Å; L184-K186 VanDerWaalsContact C-N 3.29Å; L184-K186 PolarHBondContact O-N 3.48Å; K186-G188 PolarHBondContact O-N 3.48Å; K186-T189 PolarHBondContact O-N 3.35Å; K186-T189 VanDerWaalsContact O-N 3.11Å; K186-T189 PolarHBondContact O-OG1 2.75Å; K186-V222 HydrophobicContact CG-CG1 4.06Å |
| 187 | A | 88.2 | Confident | 84.4 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -32.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E44 F48 D183 L184 L185 T189 | E44-A187 WeakPolarHBondContact CB-O 3.45Å; F48-A187 HydrophobicContact CB-CB 3.51Å; F48-A187 HydrophobicContact CD1-CB 4.33Å; F48-A187 HydrophobicContact CD2-CB 3.69Å; F48-A187 HydrophobicContact CE2-CB 4.48Å; F48-A187 HydrophobicContact CG-CB 3.59Å; D183-A187 PolarHBondContact O-N 3.37Å; L184-A187 WeakPolarHBondContact O-CB 3.34Å; L184-A187 PolarHBondContact O-N 2.94Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.98Å; A187-T189 VanDerWaalsContact C-N 3.29Å; A187-T189 PolarHBondContact O-N 2.63Å |
| 188 | G | 81.3 | Confident | 84.6 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.2 | -16.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | L184 L185 K186 N190 | L184-G188 PolarHBondContact O-N 3.34Å; L185-G188 PolarHBondContact O-N 3.28Å; L185-G188 VanDerWaalsContact O-N 3.14Å; K186-G188 PolarHBondContact O-N 3.48Å; G188-N190 PolarHBondContact O-N 3.42Å |
| 189 | T | 79 | Confident | 85.1 | Confident | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15.8 | -176.8 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | L185 K186 A187 L191 V222 V257 | L185-T189 WeakPolarHBondContact O-CG2 3.31Å; L185-T189 PolarHBondContact O-N 3.1Å; K186-T189 PolarHBondContact O-N 3.35Å; K186-T189 VanDerWaalsContact O-N 3.11Å; K186-T189 PolarHBondContact O-OG1 2.75Å; A187-T189 VanDerWaalsContact C-N 3.29Å; A187-T189 PolarHBondContact O-N 2.63Å; T189-L191 VanDerWaalsContact C-N 3.3Å; T189-L191 PolarHBondContact O-N 3.33Å; T189-V222 HydrophobicContact CG2-CG1 4.05Å; T189-V257 HydrophobicContact CG2-CG2 4.17Å |
| 190 | N | 78.3 | Confident | 85.7 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | trans | -78 | 82.5 | 174.9 | -172.8 | 12.5 | 0 | 0 | 0 | 111 | G188 S192 | G188-N190 PolarHBondContact O-N 3.42Å; N190-S192 PolarHBondContact OD1-OG 3.3Å | ||
| 191 | L | 79.3 | Confident | 85.5 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | trans | -89.6 | -24.1 | -175 | -53.3 | -179.9 | 0 | 0 | 0 | 112.8 | T189 T193 K194 L199 V219 V227 | T189-L191 VanDerWaalsContact C-N 3.3Å; T189-L191 PolarHBondContact O-N 3.33Å; L191-T193 PolarHBondContact O-N 3.03Å; L191-T193 VanDerWaalsContact O-N 3.11Å; L191-K194 PolarHBondContact O-N 2.76Å; L191-K194 VanDerWaalsContact O-N 3.08Å; L191-L199 HydrophobicContact CB-CD2 4.07Å; L191-L199 HydrophobicContact CD2-CD2 3.68Å; L191-L199 HydrophobicContact CG-CD2 4.36Å; L191-V219 HydrophobicContact CD1-CG1 3.49Å; L191-V219 VanDerWaalsContact CD1-CG1 3.49Å; L191-V219 HydrophobicContact CD2-CG1 3.66Å; L191-V219 HydrophobicContact CG-CG1 4.23Å; L191-V227 HydrophobicContact CD1-CG2 3.34Å | ||
| 192 | S | 73.9 | Confident | 85.1 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.5 | -171.6 | 68.9 | 0 | 0 | 0 | 0 | 115 | N190 | N190-S192 PolarHBondContact OD1-OG 3.3Š|
| 193 | T | 80.9 | Confident | 85.1 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 61% | 0.613 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -8.4 | -178.5 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | L191 | L191-T193 PolarHBondContact O-N 3.03Å; L191-T193 VanDerWaalsContact O-N 3.11Å |
| 194 | K | 84.6 | Confident | 84.9 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -95.7 | 143.6 | -175.7 | -61.8 | -178 | -171.8 | -72.8 | 0 | 111.3 | E44 L191 E198 L199 L202 R230 | E44-K194 WeakPolarHBondContact OE1-CE 3.3Å; E44-K194 IonicContact OE1-NZ 3.25Å; E44-K194 PolarHBondContact OE1-NZ 2.88Å; E44-K194 VanDerWaalsContact OE2-CE 3.32Å; E44-K194 WeakPolarHBondContact OE2-CE 3.49Å; E44-K194 IonicContact OE2-NZ 2.91Å; E44-K194 PolarHBondContact OE2-NZ 3.42Å; L191-K194 PolarHBondContact O-N 2.76Å; L191-K194 VanDerWaalsContact O-N 3.08Å; K194-E198 HydrophobicContact CB-CB 4.19Å; K194-L199 HydrophobicContact CB-CD2 3.92Å; K194-L199 HydrophobicContact CB-CG 3.94Å; K194-L199 HydrophobicContact CD-CD2 3.92Å; K194-L202 HydrophobicContact CD-CD1 3.67Å; K194-L202 HydrophobicContact CD-CD2 3.99Å; K194-L202 HydrophobicContact CD-CG 4.23Å; K194-R230 PolarHBondContact O-NH1 2.99Å; K194-R230 PolarHBondContact O-NH2 3.43Å |
| 195 | S | 91 | Very high | 84.3 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | trans | -70.5 | 160.9 | 167.2 | 63.4 | 0 | 0 | 0 | 0 | 111 | A197 E198 L199 | S195-A197 VanDerWaalsContact C-N 3.29Å; S195-A197 PolarHBondContact O-N 3.43Å; S195-E198 WeakPolarHBondContact CB-OE2 3.33Å; S195-E198 PolarHBondContact N-OE2 3.45Å; S195-E198 PolarHBondContact O-N 3.03Å; S195-E198 VanDerWaalsContact O-N 3.16Å; S195-E198 WeakPolarHBondContact OG-CB 3.37Å; S195-E198 VanDerWaalsContact OG-CD 3.28Å; S195-E198 VanDerWaalsContact OG-CG 3.24Å; S195-E198 WeakPolarHBondContact OG-CG 3.38Å; S195-E198 PolarHBondContact OG-N 3.14Å; S195-E198 PolarHBondContact OG-OE2 3.06Å; S195-L199 WeakPolarHBondContact O-CG 3.16Å; S195-L199 PolarHBondContact O-N 2.86Å | ||
| 196 | E | 92.8 | Very high | 84.1 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58 | -43.1 | 177.1 | -69.8 | 78.1 | -173.9 | 0 | 0 | 111.4 | E198 L199 L200 R230 A233 L234 A237 | E196-E198 VanDerWaalsContact C-N 3.34Å; E196-E198 PolarHBondContact O-N 2.98Å; E196-L199 PolarHBondContact O-N 3.23Å; E196-L200 VanDerWaalsContact O-CG 3.24Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 3.08Å; E196-R230 IonicContact OE1-CZ 2.81Å; E196-R230 IonicContact OE1-NE 2.66Å; E196-R230 PolarHBondContact OE1-NE 3.05Å; E196-R230 IonicContact OE1-NH2 2.93Å; E196-R230 PolarHBondContact OE1-NH2 3.38Å; E196-R230 IonicContact OE2-NH2 2.61Å; E196-R230 PolarHBondContact OE2-NH2 3.32Å; E196-A233 HydrophobicContact CG-CB 3.82Å; E196-A233 WeakPolarHBondContact OE1-CB 3.38Å; E196-L234 HydrophobicContact CB-CD2 4.03Å; E196-L234 HydrophobicContact CG-CD2 3.96Å; E196-L234 HydrophobicContact CG-CG 4.15Å; E196-A237 HydrophobicContact CB-CB 3.85Å |
| 197 | A | 91.1 | Very high | 83.8 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 45% | 0.446 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S195 D201 | S195-A197 VanDerWaalsContact C-N 3.29Å; S195-A197 PolarHBondContact O-N 3.43Å; A197-D201 PolarHBondContact O-N 3.36Å |
| 198 | E | 88.7 | Confident | 83.2 | Confident | 106 Ų | 106 | 48.5 Ų | 48.5 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 174.3 | -74.6 | 164.8 | 137.9 | 0 | 0 | 111 | K194 S195 E196 L200 D201 L202 | K194-E198 HydrophobicContact CB-CB 4.19Å; S195-E198 WeakPolarHBondContact CB-OE2 3.33Å; S195-E198 PolarHBondContact N-OE2 3.45Å; S195-E198 PolarHBondContact O-N 3.03Å; S195-E198 VanDerWaalsContact O-N 3.16Å; S195-E198 WeakPolarHBondContact OG-CB 3.37Å; S195-E198 VanDerWaalsContact OG-CD 3.28Å; S195-E198 VanDerWaalsContact OG-CG 3.24Å; S195-E198 WeakPolarHBondContact OG-CG 3.38Å; S195-E198 PolarHBondContact OG-N 3.14Å; S195-E198 PolarHBondContact OG-OE2 3.06Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-E198 PolarHBondContact O-N 2.98Å; E198-L200 VanDerWaalsContact C-N 3.29Å; E198-L200 PolarHBondContact O-N 3.02Å; E198-D201 PolarHBondContact O-N 2.86Å; E198-D201 VanDerWaalsContact O-N 3.17Å; E198-L202 WeakPolarHBondContact O-CG 3.33Å; E198-L202 PolarHBondContact O-N 3.18Å; E198-L202 VanDerWaalsContact O-N 3.13Å |
| 199 | L | 89.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 178.1 | -71.9 | 173.3 | 0 | 0 | 0 | 112.6 | L191 K194 S195 E196 D201 L202 V219 L234 | L191-L199 HydrophobicContact CB-CD2 4.07Å; L191-L199 HydrophobicContact CD2-CD2 3.68Å; L191-L199 HydrophobicContact CG-CD2 4.36Å; K194-L199 HydrophobicContact CB-CD2 3.92Å; K194-L199 HydrophobicContact CB-CG 3.94Å; K194-L199 HydrophobicContact CD-CD2 3.92Å; S195-L199 WeakPolarHBondContact O-CG 3.16Å; S195-L199 PolarHBondContact O-N 2.86Å; E196-L199 PolarHBondContact O-N 3.23Å; L199-D201 PolarHBondContact O-N 3.37Å; L199-L202 HydrophobicContact CD2-CD1 4.07Å; L199-V219 HydrophobicContact CB-CG2 4.39Å; L199-V219 HydrophobicContact CD2-CG1 4.47Å; L199-V219 WeakPolarHBondContact O-CG2 3.44Å; L199-L234 HydrophobicContact CB-CD2 4.46Å; L199-L234 HydrophobicContact CD1-CD2 4.28Å |
| 200 | L | 91.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.2 | -14.9 | -179.5 | -68.1 | 174 | 0 | 0 | 0 | 113.9 | E196 E198 A204 A217 L234 A237 M238 F250 L252 | E196-L200 VanDerWaalsContact O-CG 3.24Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 3.08Å; E198-L200 VanDerWaalsContact C-N 3.29Å; E198-L200 PolarHBondContact O-N 3.02Å; L200-A204 VanDerWaalsContact O-CB 3.22Å; L200-A204 WeakPolarHBondContact O-CB 3.27Å; L200-A217 VanDerWaalsContact O-CB 3.26Å; L200-A217 WeakPolarHBondContact O-CB 3.13Å; L200-L234 HydrophobicContact CD2-CD2 4.46Å; L200-L234 HydrophobicContact CG-CD2 4.49Å; L200-A237 HydrophobicContact CD1-CB 3.59Å; L200-M238 HydrophobicContact CD1-CB 4.34Å; L200-M238 HydrophobicContact CD1-CG 3.61Å; L200-M238 HydrophobicContact CD2-CG 3.49Å; L200-M238 VanDerWaalsContact CD2-CG 3.49Å; L200-M238 HydrophobicContact CD2-SD 4.18Å; L200-M238 HydrophobicContact CG-CG 4.21Å; L200-F250 HydrophobicContact CB-CZ 4.03Å; L200-F250 HydrophobicContact CD2-CE1 3.99Å; L200-F250 HydrophobicContact CD2-CZ 4.13Å; L200-F250 HydrophobicContact CG-CZ 4.5Å; L200-L252 HydrophobicContact CD2-CB 4.25Å; L200-L252 HydrophobicContact CD2-CD1 4.17Å; L200-L252 HydrophobicContact CD2-CD2 3.94Å; L200-L252 HydrophobicContact CD2-CG 4.34Å |
| 201 | D | 88.1 | Confident | 82.6 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -113.2 | -6.9 | -177.3 | -155.1 | 45.1 | 0 | 0 | 0 | 114 | A197 E198 L199 D203 R215 | A197-D201 PolarHBondContact O-N 3.36Å; E198-D201 PolarHBondContact O-N 2.86Å; E198-D201 VanDerWaalsContact O-N 3.17Å; L199-D201 PolarHBondContact O-N 3.37Å; D201-D203 PolarHBondContact O-N 2.89Å; D201-R215 IonicContact OD1-CZ 3.36Å; D201-R215 IonicContact OD1-NH2 3.77Å; D201-R215 PolarHBondContact OD1-NH2 3.01Å |
| 202 | L | 80 | Confident | 82.8 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -52.9 | -179.7 | -74.1 | 179.1 | 0 | 0 | 0 | 112.9 | K194 E198 L199 | K194-L202 HydrophobicContact CD-CD1 3.67Å; K194-L202 HydrophobicContact CD-CD2 3.99Å; K194-L202 HydrophobicContact CD-CG 4.23Å; E198-L202 WeakPolarHBondContact O-CG 3.33Å; E198-L202 PolarHBondContact O-N 3.18Å; E198-L202 VanDerWaalsContact O-N 3.13Å; L199-L202 HydrophobicContact CD2-CD1 4.07Å |
| 203 | D | 80.6 | Confident | 83.4 | Confident | 60 Ų | 60 | 53 Ų | 53 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 82.6 | 178.1 | 175.3 | 13.7 | 0 | 0 | 0 | 107.7 | D201 A217 Q218 Q295 | D201-D203 PolarHBondContact O-N 2.89Å; D203-A217 CarbonylContact O-C 3.57Å; D203-A217 VanDerWaalsContact O-CA 3.28Å; D203-A217 WeakPolarHBondContact O-CA 3.38Å; D203-Q218 PolarHBondContact O-N 3.38Å; D203-Q295 PolarHBondContact O-NE2 3.02Å; D203-Q295 VanDerWaalsContact O-NE2 3.13Å; D203-Q295 PolarHBondContact OD1-NE2 3Å; D203-Q295 PolarHBondContact OD2-NE2 3.38Å |
| 204 | A | 84.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L200 R215 I216 A217 | L200-A204 VanDerWaalsContact O-CB 3.22Å; L200-A204 WeakPolarHBondContact O-CB 3.27Å; A204-R215 PolarHBondContact O-NH2 2.99Å; A204-I216 CarbonylContact C-O 3.52Å; A204-I216 VanDerWaalsContact CA-O 3.23Å; A204-I216 WeakPolarHBondContact CA-O 3.44Å; A204-A217 HydrophobicContact CB-CB 3.76Å |
| 205 | K | 79.4 | Confident | 84 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142 | -177.9 | -65.4 | 176.7 | -174.9 | 173.8 | 0 | 109.7 | F207 I216 | K205-F207 HydrophobicContact CB-CE2 3.61Å; K205-F207 HydrophobicContact CB-CZ 3.64Å; K205-I216 PolarHBondContact N-O 3.4Å; K205-I216 PolarHBondContact O-N 3.39Å |
| 206 | S | 82.8 | Confident | 83.9 | Confident | 50 Ų | 50 | 46 Ų | 46 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.8 | 176.6 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | V214 R215 Y247 | S206-V214 CarbonylContact C-O 3.58Å; S206-V214 WeakPolarHBondContact CA-O 3.42Å; S206-R215 WeakPolarHBondContact OG-CD 3.34Å; S206-R215 PolarHBondContact OG-NH1 3.17Å; S206-Y247 PolarHBondContact OG-OH 2.76Å |
| 207 | F | 74.9 | Confident | 83.8 | Confident | 23 Ų | 23 | 44 Ų | 44 | 10% | 0.101 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.7 | -178.3 | -57.8 | -86.8 | 0 | 0 | 0 | 110 | K205 M209 V214 I216 A299 | K205-F207 HydrophobicContact CB-CE2 3.61Å; K205-F207 HydrophobicContact CB-CZ 3.64Å; F207-M209 HydrophobicContact CB-CE 3.93Å; F207-M209 HydrophobicContact CB-CG 4.46Å; F207-M209 HydrophobicContact CG-CE 4.46Å; F207-V214 PolarHBondContact N-O 2.93Å; F207-V214 PolarHBondContact O-N 3.44Å; F207-I216 HydrophobicContact CD2-CD1 3.79Å; F207-I216 HydrophobicContact CD2-CG1 3.99Å; F207-I216 HydrophobicContact CE2-CB 4.15Å; F207-I216 HydrophobicContact CE2-CD1 3.81Å; F207-I216 HydrophobicContact CE2-CG1 4.06Å; F207-A299 HydrophobicContact CD1-CB 4.48Å; F207-A299 HydrophobicContact CE1-CB 4.21Å; F207-A299 HydrophobicContact CE2-CB 4.48Å; F207-A299 HydrophobicContact CZ-CB 4.21Å |
| 208 | P | 74.4 | Confident | 83.6 | Confident | 109 Ų | 109 | 42.2 Ų | 42.2 | 71% | 0.708 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 136.5 | 162.2 | 30.7 | -31.9 | 0 | 0 | 0 | 109.1 | ||
| 209 | M | 68.6 | Low | 83.7 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 99.1 | 176.7 | -63.3 | -170.1 | -177.8 | 0 | 0 | 108.4 | F207 D211 K212 V214 I216 M273 I302 V303 | F207-M209 HydrophobicContact CB-CE 3.93Å; F207-M209 HydrophobicContact CB-CG 4.46Å; F207-M209 HydrophobicContact CG-CE 4.46Å; M209-D211 PolarHBondContact O-N 2.88Å; M209-K212 PolarHBondContact N-O 2.94Å; M209-K212 WeakPolarHBondContact O-CA 3.49Å; M209-K212 VanDerWaalsContact O-CB 3.32Å; M209-K212 WeakPolarHBondContact O-CB 3.4Å; M209-K212 PolarHBondContact O-N 3.18Å; M209-V214 HydrophobicContact CB-CG2 4.21Å; M209-V214 HydrophobicContact CE-CB 4.1Å; M209-V214 HydrophobicContact CE-CG1 4.32Å; M209-V214 HydrophobicContact CE-CG2 4.28Å; M209-V214 HydrophobicContact CG-CB 4.46Å; M209-V214 HydrophobicContact CG-CG2 3.97Å; M209-V214 HydrophobicContact SD-CB 3.99Å; M209-V214 HydrophobicContact SD-CG1 4.48Å; M209-V214 HydrophobicContact SD-CG2 3.51Å; M209-V214 VanDerWaalsContact SD-CG2 3.51Å; M209-I216 HydrophobicContact CE-CD1 4.49Å; M209-M273 HydrophobicContact CB-CE 3.92Å; M209-M273 HydrophobicContact CG-CE 4.44Å; M209-M273 HydrophobicContact SD-CE 3.73Å; M209-M273 HydrophobicContact SD-SD 4.26Å; M209-I302 HydrophobicContact CE-CB 4.16Å; M209-I302 HydrophobicContact CE-CG2 3.89Å; M209-I302 HydrophobicContact SD-CB 4.19Å; M209-I302 HydrophobicContact SD-CG2 3.29Å; M209-I302 WeakPolarHBondContact SD-CG2 3.19Å; M209-V303 HydrophobicContact CE-CG2 3.98Å; M209-V303 HydrophobicContact CG-CG2 4.36Å; M209-V303 HydrophobicContact SD-CG2 4.39Å |
| 210 | A | 75.4 | Confident | 83.4 | Confident | 49 Ų | 49 | 39 Ų | 39 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -124.6 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K212 | A210-K212 PolarHBondContact O-N 3.2Š|
| 211 | D | 81.8 | Confident | 83.1 | Confident | 128 Ų | 128 | 39 Ų | 39 | 68% | 0.684 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 9.9 | 177.7 | 68.3 | -45.4 | 0 | 0 | 0 | 113.7 | M209 | M209-D211 PolarHBondContact O-N 2.88Š|
| 212 | K | 84.5 | Confident | 82.6 | Confident | 59 Ų | 59 | 38 Ų | 38 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151.2 | -176.3 | -57 | -64.4 | 174.7 | -167.5 | 0 | 113 | M209 A210 D248 | M209-K212 PolarHBondContact N-O 2.94Å; M209-K212 WeakPolarHBondContact O-CA 3.49Å; M209-K212 VanDerWaalsContact O-CB 3.32Å; M209-K212 WeakPolarHBondContact O-CB 3.4Å; M209-K212 PolarHBondContact O-N 3.18Å; A210-K212 PolarHBondContact O-N 3.2Å; K212-D248 VanDerWaalsContact CA-OD2 3.3Å; K212-D248 WeakPolarHBondContact CA-OD2 3.28Å; K212-D248 HydrophobicContact CB-CB 4.25Å; K212-D248 HydrophobicContact CD-CB 3.75Å; K212-D248 WeakPolarHBondContact CD-OD1 3.48Å; K212-D248 IonicContact NZ-OD1 2.84Å; K212-D248 PolarHBondContact NZ-OD1 3.43Å |
| 213 | T | 86.1 | Confident | 82.8 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 32% | 0.319 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.5 | 171.7 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | Y247 D248 L249 | T213-Y247 HydrophobicContact CG2-CD1 3.66Å; T213-Y247 HydrophobicContact CG2-CE1 4.21Å; T213-D248 PolarHBondContact N-OD2 3.48Å; T213-D248 PolarHBondContact O-N 3.06Å; T213-L249 PolarHBondContact O-N 2.89Å |
| 214 | V | 88.3 | Confident | 83 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.7 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | S206 F207 M209 I216 L249 L251 | S206-V214 CarbonylContact C-O 3.58Å; S206-V214 WeakPolarHBondContact CA-O 3.42Å; F207-V214 PolarHBondContact N-O 2.93Å; F207-V214 PolarHBondContact O-N 3.44Å; M209-V214 HydrophobicContact CB-CG2 4.21Å; M209-V214 HydrophobicContact CE-CB 4.1Å; M209-V214 HydrophobicContact CE-CG1 4.32Å; M209-V214 HydrophobicContact CE-CG2 4.28Å; M209-V214 HydrophobicContact CG-CB 4.46Å; M209-V214 HydrophobicContact CG-CG2 3.97Å; M209-V214 HydrophobicContact SD-CB 3.99Å; M209-V214 HydrophobicContact SD-CG1 4.48Å; M209-V214 HydrophobicContact SD-CG2 3.51Å; M209-V214 VanDerWaalsContact SD-CG2 3.51Å; V214-I216 HydrophobicContact CG1-CG1 4.04Å; V214-L249 CarbonylContact C-O 3.53Å; V214-L249 VanDerWaalsContact CA-O 3.28Å; V214-L249 WeakPolarHBondContact CA-O 3.36Å; V214-L249 HydrophobicContact CG1-CB 4.27Å; V214-L249 HydrophobicContact CG1-CD2 4.18Å; V214-L249 HydrophobicContact CG1-CG 4.34Å; V214-L249 HydrophobicContact CG2-CB 4.15Å; V214-L249 HydrophobicContact CG2-CD2 4.34Å; V214-L251 HydrophobicContact CG1-CD1 4.22Å; V214-L251 HydrophobicContact CG1-CG 4.3Å |
| 215 | R | 90 | Very high | 83.1 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.8 | 169.5 | -172.6 | 69.2 | 167.9 | 174.6 | 3.3 | 108.7 | D201 A204 S206 Y247 L249 F250 L251 | D201-R215 IonicContact OD1-CZ 3.36Å; D201-R215 IonicContact OD1-NH2 3.77Å; D201-R215 PolarHBondContact OD1-NH2 3.01Å; A204-R215 PolarHBondContact O-NH2 2.99Å; S206-R215 WeakPolarHBondContact OG-CD 3.34Å; S206-R215 PolarHBondContact OG-NH1 3.17Å; R215-Y247 HydrophobicContact CB-CD1 4.48Å; R215-Y247 HydrophobicContact CB-CD2 3.57Å; R215-Y247 HydrophobicContact CB-CE2 3.76Å; R215-Y247 HydrophobicContact CB-CG 3.96Å; R215-Y247 HydrophobicContact CG-CD2 4.01Å; R215-Y247 HydrophobicContact CG-CE2 3.7Å; R215-L249 PolarHBondContact N-O 2.79Å; R215-F250 HydrophobicContact CB-CD1 4.44Å; R215-F250 HydrophobicContact CB-CD2 3.82Å; R215-F250 HydrophobicContact CB-CE2 3.97Å; R215-F250 HydrophobicContact CB-CG 4.06Å; R215-F250 HydrophobicContact CB-CZ 4.33Å; R215-F250 HydrophobicContact CG-CD1 4.38Å; R215-F250 HydrophobicContact CG-CD2 3.8Å; R215-F250 HydrophobicContact CG-CE1 4.02Å; R215-F250 HydrophobicContact CG-CE2 3.4Å; R215-F250 HydrophobicContact CG-CG 4.27Å; R215-F250 HydrophobicContact CG-CZ 3.5Å; R215-F250 CarbonylContact O-C 3.57Å; R215-F250 WeakPolarHBondContact O-CA 3.3Å; R215-L251 PolarHBondContact O-N 2.93Å |
| 216 | I | 89.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.6 | 175.3 | -51.9 | -179.4 | 0 | 0 | 0 | 107.1 | A204 K205 F207 M209 V214 L251 I298 A299 | A204-I216 CarbonylContact C-O 3.52Å; A204-I216 VanDerWaalsContact CA-O 3.23Å; A204-I216 WeakPolarHBondContact CA-O 3.44Å; K205-I216 PolarHBondContact N-O 3.4Å; K205-I216 PolarHBondContact O-N 3.39Å; F207-I216 HydrophobicContact CD2-CD1 3.79Å; F207-I216 HydrophobicContact CD2-CG1 3.99Å; F207-I216 HydrophobicContact CE2-CB 4.15Å; F207-I216 HydrophobicContact CE2-CD1 3.81Å; F207-I216 HydrophobicContact CE2-CG1 4.06Å; M209-I216 HydrophobicContact CE-CD1 4.49Å; V214-I216 HydrophobicContact CG1-CG1 4.04Å; I216-L251 CarbonylContact C-O 3.56Å; I216-L251 VanDerWaalsContact CA-O 3.31Å; I216-L251 WeakPolarHBondContact CA-O 3.36Å; I216-L251 HydrophobicContact CD1-CD1 4.42Å; I216-L251 HydrophobicContact CG1-CB 4.26Å; I216-L251 HydrophobicContact CG1-CD1 4.25Å; I216-L251 HydrophobicContact CG2-CB 4.35Å; I216-I298 HydrophobicContact CD1-CG2 3.93Å; I216-I298 HydrophobicContact CG2-CG2 4.43Å; I216-A299 HydrophobicContact CD1-CB 4.3Å |
| 217 | A | 90.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 149.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L200 D203 A204 F250 L251 L252 L253 | L200-A217 VanDerWaalsContact O-CB 3.26Å; L200-A217 WeakPolarHBondContact O-CB 3.13Å; D203-A217 CarbonylContact O-C 3.57Å; D203-A217 VanDerWaalsContact O-CA 3.28Å; D203-A217 WeakPolarHBondContact O-CA 3.38Å; A204-A217 HydrophobicContact CB-CB 3.76Å; A217-F250 HydrophobicContact CB-CE1 3.64Å; A217-F250 HydrophobicContact CB-CZ 4.08Å; A217-L251 PolarHBondContact N-O 3.37Å; A217-L252 HydrophobicContact CB-CD1 4.02Å; A217-L252 CarbonylContact O-C 3.54Å; A217-L252 WeakPolarHBondContact O-CA 3.4Å; A217-L253 PolarHBondContact O-N 2.66Å |
| 218 | Q | 87.4 | Confident | 84.6 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.7 | 170.5 | -178.2 | 167.2 | -26.7 | 0 | 0 | 110.2 | D203 N220 L253 T255 V293 Q295 | D203-Q218 PolarHBondContact O-N 3.38Å; Q218-N220 PolarHBondContact NE2-OD1 2.91Å; Q218-N220 VanDerWaalsContact NE2-OD1 3.12Å; Q218-L253 CarbonylContact C-O 3.56Å; Q218-L253 VanDerWaalsContact CA-O 3.27Å; Q218-L253 WeakPolarHBondContact CA-O 3.5Å; Q218-L253 HydrophobicContact CB-CB 4.48Å; Q218-L253 HydrophobicContact CG-CB 4.47Å; Q218-L253 HydrophobicContact CG-CD2 4.34Å; Q218-T255 PolarHBondContact NE2-OG1 3.19Å; Q218-V293 PolarHBondContact NE2-O 3.03Å; Q218-Q295 HydrophobicContact CB-CG 3.96Å |
| 219 | V | 88.7 | Confident | 85.4 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.5 | 173.9 | 172 | 0 | 0 | 0 | 0 | 108 | L191 L199 L252 L253 V254 T255 | L191-V219 HydrophobicContact CD1-CG1 3.49Å; L191-V219 VanDerWaalsContact CD1-CG1 3.49Å; L191-V219 HydrophobicContact CD2-CG1 3.66Å; L191-V219 HydrophobicContact CG-CG1 4.23Å; L199-V219 HydrophobicContact CB-CG2 4.39Å; L199-V219 HydrophobicContact CD2-CG1 4.47Å; L199-V219 WeakPolarHBondContact O-CG2 3.44Å; V219-L252 HydrophobicContact CB-CD1 4.26Å; V219-L252 HydrophobicContact CG2-CD1 3.7Å; V219-L253 PolarHBondContact N-O 3.17Å; V219-V254 CarbonylContact O-C 3.6Å; V219-V254 WeakPolarHBondContact O-CA 3.41Å; V219-T255 PolarHBondContact O-N 2.86Å |
| 220 | N | 84.6 | Confident | 86.5 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.6 | 174.3 | -71.8 | -12.1 | 0 | 0 | 0 | 109.9 | Q218 T255 V257 | Q218-N220 PolarHBondContact NE2-OD1 2.91Å; Q218-N220 VanDerWaalsContact NE2-OD1 3.12Å; N220-T255 CarbonylContact C-O 3.51Å; N220-T255 WeakPolarHBondContact CA-O 3.21Å; N220-V257 HydrophobicContact CB-CG1 3.66Å |
| 221 | T | 85 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 165 | 177.2 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | D223 L224 V227 V254 T255 N256 V257 | T221-D223 WeakPolarHBondContact CG2-O 3.48Å; T221-D223 PolarHBondContact OG1-N 3.02Å; T221-D223 PolarHBondContact OG1-O 2.66Å; T221-L224 HydrophobicContact CG2-CD2 3.81Å; T221-L224 HydrophobicContact CG2-CG 4.45Å; T221-V227 HydrophobicContact CG2-CG2 4.16Å; T221-V254 HydrophobicContact CG2-CG1 3.7Å; T221-T255 PolarHBondContact N-O 3.11Å; T221-N256 CarbonylContact O-C 3.56Å; T221-N256 VanDerWaalsContact O-CA 3.26Å; T221-N256 WeakPolarHBondContact O-CA 3.31Å; T221-V257 PolarHBondContact O-N 3.36Å |
| 222 | V | 78.1 | Confident | 88 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 29% | 0.285 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -99.3 | -15.3 | 163.1 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | K186 T189 N256 V257 L258 | K186-V222 HydrophobicContact CG-CG1 4.06Å; T189-V222 HydrophobicContact CG2-CG1 4.05Å; V222-N256 PolarHBondContact O-ND2 3.27Å; V222-V257 HydrophobicContact CG1-CG2 3.99Å; V222-L258 HydrophobicContact CB-CD1 3.94Å; V222-L258 HydrophobicContact CB-CG 4.34Å; V222-L258 HydrophobicContact CG1-CD1 3.98Å; V222-L258 HydrophobicContact CG1-CD2 4.39Å; V222-L258 HydrophobicContact CG1-CG 4.01Å |
| 223 | D | 83.2 | Confident | 88.5 | Confident | 70 Ų | 70 | 39 Ų | 39 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | trans | -135.8 | 110.7 | -177.8 | -173.1 | -9.5 | 0 | 0 | 0 | 109.2 | T221 D225 E226 | T221-D223 WeakPolarHBondContact CG2-O 3.48Å; T221-D223 PolarHBondContact OG1-N 3.02Å; T221-D223 PolarHBondContact OG1-O 2.66Å; D223-D225 VanDerWaalsContact C-N 3.3Å; D223-D225 WeakPolarHBondContact OD1-CB 3.23Å; D223-D225 PolarHBondContact OD1-N 3.03Å; D223-E226 HydrophobicContact CB-CB 4.1Å; D223-E226 PolarHBondContact OD1-N 3.21Å | ||
| 224 | L | 85.6 | Confident | 89 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 177 | -66.7 | 174.7 | 0 | 0 | 0 | 110.6 | T221 E226 V227 F228 V254 N256 | T221-L224 HydrophobicContact CG2-CD2 3.81Å; T221-L224 HydrophobicContact CG2-CG 4.45Å; L224-E226 VanDerWaalsContact C-N 3.29Å; L224-E226 PolarHBondContact O-N 3.18Å; L224-V227 PolarHBondContact O-N 3.29Å; L224-V227 VanDerWaalsContact O-N 3.16Å; L224-F228 HydrophobicContact CB-CD2 4.31Å; L224-F228 HydrophobicContact CD2-CE2 4.5Å; L224-F228 WeakPolarHBondContact O-CD2 3.46Å; L224-F228 PolarHBondContact O-N 3.42Å; L224-V254 HydrophobicContact CD2-CB 4.15Å; L224-V254 HydrophobicContact CD2-CG1 3.71Å; L224-V254 WeakPolarHBondContact CD2-O 3.35Å; L224-N256 HydrophobicContact CD1-CB 4.46Å; L224-N256 HydrophobicContact CD2-CB 4.13Å; L224-N256 HydrophobicContact CG-CB 4.08Å |
| 225 | D | 86.2 | Confident | 89.3 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 64% | 0.642 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.6 | -34 | -175.6 | -70.6 | -27.5 | 0 | 0 | 0 | 111.2 | D223 V227 F228 A229 | D223-D225 VanDerWaalsContact C-N 3.3Å; D223-D225 WeakPolarHBondContact OD1-CB 3.23Å; D223-D225 PolarHBondContact OD1-N 3.03Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 2.89Å; D225-F228 PolarHBondContact O-N 2.88Å; D225-A229 WeakPolarHBondContact O-CB 3.34Å; D225-A229 PolarHBondContact O-N 2.86Å |
| 226 | E | 86 | Confident | 89.6 | Confident | 84 Ų | 84 | 41.7 Ų | 41.7 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 173.7 | -173.1 | -177.4 | 166.5 | 0 | 0 | 111.8 | D223 L224 | D223-E226 HydrophobicContact CB-CB 4.1Å; D223-E226 PolarHBondContact OD1-N 3.21Å; L224-E226 VanDerWaalsContact C-N 3.29Å; L224-E226 PolarHBondContact O-N 3.18Å |
| 227 | V | 90.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.4 | -47.4 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | L191 T221 L224 D225 A229 R230 L234 V254 | L191-V227 HydrophobicContact CD1-CG2 3.34Å; T221-V227 HydrophobicContact CG2-CG2 4.16Å; L224-V227 PolarHBondContact O-N 3.29Å; L224-V227 VanDerWaalsContact O-N 3.16Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 2.89Å; V227-A229 VanDerWaalsContact C-N 3.25Å; V227-A229 PolarHBondContact O-N 3.01Å; V227-R230 PolarHBondContact O-N 3.42Å; V227-L234 HydrophobicContact CG1-CD1 3.83Å; V227-V254 HydrophobicContact CB-CG1 3.87Å; V227-V254 HydrophobicContact CG1-CG1 3.87Å; V227-V254 HydrophobicContact CG1-CG2 3.81Å; V227-V254 HydrophobicContact CG2-CG1 3.79Å |
| 228 | F | 92 | Very high | 90.3 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.4 | -10.7 | -177.3 | -72.6 | -68.5 | 0 | 0 | 0 | 114.1 | L224 D225 R230 Q231 V254 E263 L265 R286 | L224-F228 HydrophobicContact CB-CD2 4.31Å; L224-F228 HydrophobicContact CD2-CE2 4.5Å; L224-F228 WeakPolarHBondContact O-CD2 3.46Å; L224-F228 PolarHBondContact O-N 3.42Å; D225-F228 PolarHBondContact O-N 2.88Å; F228-R230 PolarHBondContact O-N 3.39Å; F228-Q231 HydrophobicContact CD1-CB 4.25Å; F228-Q231 HydrophobicContact CD1-CG 4.29Å; F228-Q231 WeakPolarHBondContact O-CB 3.43Å; F228-Q231 PolarHBondContact O-N 3.48Å; F228-Q231 VanDerWaalsContact O-N 3.08Å; F228-V254 HydrophobicContact CE1-CG2 4.36Å; F228-V254 HydrophobicContact CE2-CB 3.86Å; F228-V254 HydrophobicContact CE2-CG1 4.26Å; F228-V254 HydrophobicContact CE2-CG2 3.91Å; F228-V254 HydrophobicContact CZ-CB 3.97Å; F228-V254 HydrophobicContact CZ-CG2 3.6Å; F228-E263 WeakPolarHBondContact CD2-OE2 3.12Å; F228-E263 HydrophobicContact CE1-CG 4.48Å; F228-E263 HydrophobicContact CE2-CB 3.61Å; F228-E263 HydrophobicContact CE2-CG 3.76Å; F228-E263 WeakPolarHBondContact CE2-OE2 3.35Å; F228-E263 HydrophobicContact CZ-CB 3.76Å; F228-E263 HydrophobicContact CZ-CG 3.63Å; F228-L265 HydrophobicContact CE1-CB 4.19Å; F228-R286 HydrophobicContact CD1-CG 4.35Å; F228-R286 HydrophobicContact CE1-CG 3.9Å; F228-R286 VanDerWaalsContact CG-CZ 3.41Å |
| 229 | A | 91.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 45.1 Ų | 45.1 | 70% | 0.702 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D225 V227 | D225-A229 WeakPolarHBondContact O-CB 3.34Å; D225-A229 PolarHBondContact O-N 2.86Å; V227-A229 VanDerWaalsContact C-N 3.25Å; V227-A229 PolarHBondContact O-N 3.01Å |
| 230 | R | 91.4 | Very high | 91 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 17.1 | 176.3 | -56 | 175.1 | 72.1 | 174.5 | 4.8 | 113 | K194 E196 V227 F228 D232 A233 L234 | K194-R230 PolarHBondContact O-NH1 2.99Å; K194-R230 PolarHBondContact O-NH2 3.43Å; E196-R230 IonicContact OE1-CZ 2.81Å; E196-R230 IonicContact OE1-NE 2.66Å; E196-R230 PolarHBondContact OE1-NE 3.05Å; E196-R230 IonicContact OE1-NH2 2.93Å; E196-R230 PolarHBondContact OE1-NH2 3.38Å; E196-R230 IonicContact OE2-NH2 2.61Å; E196-R230 PolarHBondContact OE2-NH2 3.32Å; V227-R230 PolarHBondContact O-N 3.42Å; F228-R230 PolarHBondContact O-N 3.39Å; R230-D232 PolarHBondContact O-N 3.32Å; R230-A233 PolarHBondContact O-N 3.1Å; R230-A233 VanDerWaalsContact O-N 3.11Å; R230-L234 PolarHBondContact O-N 3.03Å |
| 231 | Q | 94.5 | Very high | 91.5 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51.9 | -46.9 | -171.5 | 179.2 | -177.9 | -33.5 | 0 | 0 | 114.1 | F228 A233 L234 R235 L265 N284 R286 | F228-Q231 HydrophobicContact CD1-CB 4.25Å; F228-Q231 HydrophobicContact CD1-CG 4.29Å; F228-Q231 WeakPolarHBondContact O-CB 3.43Å; F228-Q231 PolarHBondContact O-N 3.48Å; F228-Q231 VanDerWaalsContact O-N 3.08Å; Q231-A233 VanDerWaalsContact C-N 3.34Å; Q231-A233 PolarHBondContact O-N 3.42Å; Q231-L234 PolarHBondContact O-N 2.98Å; Q231-R235 WeakPolarHBondContact O-CB 3.27Å; Q231-R235 PolarHBondContact O-N 3.01Å; Q231-L265 HydrophobicContact CG-CD1 4.01Å; Q231-L265 HydrophobicContact CG-CD2 4.32Å; Q231-N284 PolarHBondContact NE2-ND2 3.19Å; Q231-N284 PolarHBondContact NE2-O 3Å; Q231-R286 VanDerWaalsContact CD-CD 3.41Å |
| 232 | D | 94.5 | Very high | 92 | Very high | 93 Ų | 93 | 50.3 Ų | 50.3 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | -178 | -75.2 | -33.7 | 0 | 0 | 0 | 111.5 | R230 R235 D236 | R230-D232 PolarHBondContact O-N 3.32Å; D232-R235 PolarHBondContact O-N 2.97Å; D232-R235 IonicContact OD1-CZ 2.82Å; D232-R235 VanDerWaalsContact OD1-CZ 3.25Å; D232-R235 IonicContact OD1-NH1 3.2Å; D232-R235 PolarHBondContact OD1-NH1 3.03Å; D232-R235 IonicContact OD1-NH2 3.8Å; D232-R235 PolarHBondContact OD1-NH2 2.91Å; D232-D236 VanDerWaalsContact O-CG 3.26Å; D232-D236 PolarHBondContact O-N 2.85Å |
| 233 | A | 95.3 | Very high | 92.8 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | E196 R230 Q231 D236 A237 | E196-A233 HydrophobicContact CG-CB 3.82Å; E196-A233 WeakPolarHBondContact OE1-CB 3.38Å; R230-A233 PolarHBondContact O-N 3.1Å; R230-A233 VanDerWaalsContact O-N 3.11Å; Q231-A233 VanDerWaalsContact C-N 3.34Å; Q231-A233 PolarHBondContact O-N 3.42Å; A233-D236 PolarHBondContact O-N 3.03Å; A233-A237 WeakPolarHBondContact O-CB 3.16Å; A233-A237 PolarHBondContact O-N 3.04Å |
| 234 | L | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 173.6 | -74.5 | 167.2 | 0 | 0 | 0 | 111.2 | E196 L199 L200 V227 R230 Q231 D236 A237 M238 L252 L265 | E196-L234 HydrophobicContact CB-CD2 4.03Å; E196-L234 HydrophobicContact CG-CD2 3.96Å; E196-L234 HydrophobicContact CG-CG 4.15Å; L199-L234 HydrophobicContact CB-CD2 4.46Å; L199-L234 HydrophobicContact CD1-CD2 4.28Å; L200-L234 HydrophobicContact CD2-CD2 4.46Å; L200-L234 HydrophobicContact CG-CD2 4.49Å; V227-L234 HydrophobicContact CG1-CD1 3.83Å; R230-L234 PolarHBondContact O-N 3.03Å; Q231-L234 PolarHBondContact O-N 2.98Å; L234-D236 PolarHBondContact O-N 3.21Å; L234-A237 PolarHBondContact O-N 3.4Å; L234-M238 WeakPolarHBondContact O-CG 3.5Å; L234-M238 PolarHBondContact O-N 3.36Å; L234-L252 HydrophobicContact CD1-CD2 4.14Å; L234-L252 HydrophobicContact CD2-CD2 4.27Å; L234-L265 HydrophobicContact CB-CD2 4.02Å |
| 235 | R | 96.1 | Very high | 93.7 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.6 | -175.3 | -174.7 | 63.8 | -127.4 | -15.4 | 111.5 | Q231 D232 M238 L239 A267 D285 | Q231-R235 WeakPolarHBondContact O-CB 3.27Å; Q231-R235 PolarHBondContact O-N 3.01Å; D232-R235 PolarHBondContact O-N 2.97Å; D232-R235 IonicContact OD1-CZ 2.82Å; D232-R235 VanDerWaalsContact OD1-CZ 3.25Å; D232-R235 IonicContact OD1-NH1 3.2Å; D232-R235 PolarHBondContact OD1-NH1 3.03Å; D232-R235 IonicContact OD1-NH2 3.8Å; D232-R235 PolarHBondContact OD1-NH2 2.91Å; R235-M238 PolarHBondContact O-N 3.4Å; R235-L239 HydrophobicContact CG-CD1 4.42Å; R235-L239 WeakPolarHBondContact O-CG 3.24Å; R235-L239 PolarHBondContact O-N 2.79Å; R235-A267 HydrophobicContact CG-CB 4.48Å; R235-D285 WeakPolarHBondContact CD-OD2 3.3Å; R235-D285 IonicContact NH1-OD2 3.46Å |
| 236 | D | 96.1 | Very high | 94 | Very high | 86 Ų | 86 | 58 Ų | 58 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 178.7 | -70.3 | -6.8 | 0 | 0 | 0 | 110.9 | D232 A233 L234 L239 D240 | D232-D236 VanDerWaalsContact O-CG 3.26Å; D232-D236 PolarHBondContact O-N 2.85Å; A233-D236 PolarHBondContact O-N 3.03Å; L234-D236 PolarHBondContact O-N 3.21Å; D236-L239 PolarHBondContact O-N 3.47Å; D236-D240 PolarHBondContact O-N 3.02Å |
| 237 | A | 96.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E196 L200 A233 L234 L239 D240 E241 | E196-A237 HydrophobicContact CB-CB 3.85Å; L200-A237 HydrophobicContact CD1-CB 3.59Å; A233-A237 WeakPolarHBondContact O-CB 3.16Å; A233-A237 PolarHBondContact O-N 3.04Å; L234-A237 PolarHBondContact O-N 3.4Å; A237-L239 VanDerWaalsContact C-N 3.33Å; A237-L239 PolarHBondContact O-N 2.75Å; A237-D240 PolarHBondContact O-N 3.33Å; A237-E241 PolarHBondContact O-N 2.79Å |
| 238 | M | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 173.8 | -68.7 | 160.5 | 73.6 | 0 | 0 | 111.6 | L200 L234 R235 E241 N242 F250 L252 L265 A267 | L200-M238 HydrophobicContact CD1-CB 4.34Å; L200-M238 HydrophobicContact CD1-CG 3.61Å; L200-M238 HydrophobicContact CD2-CG 3.49Å; L200-M238 VanDerWaalsContact CD2-CG 3.49Å; L200-M238 HydrophobicContact CD2-SD 4.18Å; L200-M238 HydrophobicContact CG-CG 4.21Å; L234-M238 WeakPolarHBondContact O-CG 3.5Å; L234-M238 PolarHBondContact O-N 3.36Å; R235-M238 PolarHBondContact O-N 3.4Å; M238-E241 PolarHBondContact O-N 2.86Å; M238-N242 VanDerWaalsContact O-CG 3.26Å; M238-N242 PolarHBondContact O-N 3.44Å; M238-N242 PolarHBondContact O-OD1 3.05Å; M238-F250 HydrophobicContact CB-CB 4.11Å; M238-F250 HydrophobicContact CB-CD1 4.37Å; M238-F250 HydrophobicContact CB-CD2 4.16Å; M238-F250 HydrophobicContact CB-CG 3.97Å; M238-F250 HydrophobicContact CE-CB 3.91Å; M238-F250 HydrophobicContact CE-CD1 3.66Å; M238-F250 HydrophobicContact CE-CG 4.05Å; M238-F250 WeakPolarHBondContact CE-O 3.46Å; M238-F250 HydrophobicContact CG-CB 4.49Å; M238-F250 HydrophobicContact CG-CD1 3.89Å; M238-F250 HydrophobicContact CG-CD2 4.37Å; M238-F250 HydrophobicContact CG-CE1 4.21Å; M238-F250 HydrophobicContact CG-CG 4.01Å; M238-L252 HydrophobicContact CE-CB 3.97Å; M238-L252 HydrophobicContact SD-CB 4.06Å; M238-L265 HydrophobicContact CE-CG 4.25Å; M238-L265 WeakPolarHBondContact CE-O 3.17Å; M238-L265 HydrophobicContact SD-CD2 3.68Å; M238-L265 HydrophobicContact SD-CG 3.97Å; M238-A267 HydrophobicContact CB-CB 3.68Å; M238-A267 HydrophobicContact CE-CB 3.71Å; M238-A267 HydrophobicContact SD-CB 4.3Å |
| 239 | L | 96.4 | Very high | 94.5 | Very high | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.8 | -71 | 171.7 | 0 | 0 | 0 | 111.9 | R235 D236 A237 E241 N242 V243 A267 | R235-L239 HydrophobicContact CG-CD1 4.42Å; R235-L239 WeakPolarHBondContact O-CG 3.24Å; R235-L239 PolarHBondContact O-N 2.79Å; D236-L239 PolarHBondContact O-N 3.47Å; A237-L239 VanDerWaalsContact C-N 3.33Å; A237-L239 PolarHBondContact O-N 2.75Å; L239-E241 VanDerWaalsContact C-N 3.33Å; L239-N242 WeakPolarHBondContact O-CB 3.47Å; L239-N242 PolarHBondContact O-N 3.31Å; L239-V243 WeakPolarHBondContact O-CG2 3.31Å; L239-V243 PolarHBondContact O-N 3.4Å; L239-V243 VanDerWaalsContact O-N 3.08Å; L239-A267 HydrophobicContact CD2-CB 4.06Å; L239-A267 HydrophobicContact CG-CB 4.19Å |
| 240 | D | 96 | Very high | 94.7 | Very high | 119 Ų | 119 | 53 Ų | 53 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 174.3 | -78.6 | -14.2 | 0 | 0 | 0 | 111.5 | D236 A237 V243 K244 | D236-D240 PolarHBondContact O-N 3.02Å; A237-D240 PolarHBondContact O-N 3.33Å; D240-V243 PolarHBondContact O-N 2.85Å; D240-K244 VanDerWaalsContact O-CB 3.29Å; D240-K244 WeakPolarHBondContact O-CB 3.38Å; D240-K244 PolarHBondContact O-N 3.01Å |
| 241 | E | 95.1 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 173.7 | -78.1 | -158.4 | -157.1 | 0 | 0 | 113.1 | A237 M238 L239 V243 K244 N245 F250 | A237-E241 PolarHBondContact O-N 2.79Å; M238-E241 PolarHBondContact O-N 2.86Å; L239-E241 VanDerWaalsContact C-N 3.33Å; E241-V243 VanDerWaalsContact C-N 3.31Å; E241-V243 PolarHBondContact O-N 3.13Å; E241-K244 PolarHBondContact O-N 2.62Å; E241-N245 WeakPolarHBondContact O-CB 3.22Å; E241-N245 PolarHBondContact O-N 2.71Å; E241-N245 PolarHBondContact O-ND2 3.49Å; E241-F250 HydrophobicContact CB-CD2 4.24Å; E241-F250 HydrophobicContact CB-CE2 3.94Å; E241-F250 HydrophobicContact CG-CE2 4.49Å; E241-F250 WeakPolarHBondContact OE2-CE2 3.5Å |
| 242 | N | 95.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 174.4 | -74.3 | -6.1 | 0 | 0 | 0 | 111.1 | M238 L239 G246 Y247 F250 A267 | M238-N242 VanDerWaalsContact O-CG 3.26Å; M238-N242 PolarHBondContact O-N 3.44Å; M238-N242 PolarHBondContact O-OD1 3.05Å; L239-N242 WeakPolarHBondContact O-CB 3.47Å; L239-N242 PolarHBondContact O-N 3.31Å; N242-G246 CarbonylContact O-C 3.57Å; N242-G246 VanDerWaalsContact O-CA 3.29Å; N242-G246 WeakPolarHBondContact O-CA 3.45Å; N242-G246 PolarHBondContact O-N 2.98Å; N242-Y247 WeakPolarHBondContact CB-O 3.46Å; N242-Y247 PolarHBondContact O-N 3.33Å; N242-Y247 WeakPolarHBondContact OD1-CB 3.44Å; N242-F250 WeakPolarHBondContact OD1-CB 3.33Å; N242-A267 PolarHBondContact ND2-O 2.71Å |
| 243 | V | 94.9 | Very high | 94.6 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 77% | 0.77 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.5 | -44.4 | 177.7 | 174 | 0 | 0 | 0 | 0 | 111.5 | L239 D240 E241 | L239-V243 WeakPolarHBondContact O-CG2 3.31Å; L239-V243 PolarHBondContact O-N 3.4Å; L239-V243 VanDerWaalsContact O-N 3.08Å; D240-V243 PolarHBondContact O-N 2.85Å; E241-V243 VanDerWaalsContact C-N 3.31Å; E241-V243 PolarHBondContact O-N 3.13Å |
| 244 | K | 94.1 | Very high | 94.4 | Very high | 170 Ų | 170 | 42.2 Ų | 42.2 | 74% | 0.739 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.9 | -41 | -175.8 | -177.6 | -176.9 | 173.4 | -168.8 | 0 | 112.8 | D240 E241 | D240-K244 VanDerWaalsContact O-CB 3.29Å; D240-K244 WeakPolarHBondContact O-CB 3.38Å; D240-K244 PolarHBondContact O-N 3.01Å; E241-K244 PolarHBondContact O-N 2.62Å |
| 245 | N | 92 | Very high | 93.9 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -106.9 | -3.9 | -171.7 | -60.6 | -55.8 | 0 | 0 | 0 | 113.7 | E241 Y247 | E241-N245 WeakPolarHBondContact O-CB 3.22Å; E241-N245 PolarHBondContact O-N 2.71Å; E241-N245 PolarHBondContact O-ND2 3.49Å; N245-Y247 HydrophobicContact CB-CD1 4.13Å; N245-Y247 HydrophobicContact CB-CD2 3.96Å; N245-Y247 HydrophobicContact CB-CE1 3.67Å; N245-Y247 HydrophobicContact CB-CE2 3.49Å; N245-Y247 VanDerWaalsContact CB-CE2 3.49Å; N245-Y247 HydrophobicContact CB-CG 4.27Å |
| 246 | G | 92.3 | Very high | 93.2 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 32.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N242 | N242-G246 CarbonylContact O-C 3.57Å; N242-G246 VanDerWaalsContact O-CA 3.29Å; N242-G246 WeakPolarHBondContact O-CA 3.45Å; N242-G246 PolarHBondContact O-N 2.98Å |
| 247 | Y | 93.7 | Very high | 92.1 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 14% | 0.141 | 20% | 0.202 | C | C | . | . | trans | -82.4 | 138.2 | 173.4 | -48.2 | -40.7 | 0 | 0 | 0 | 110.3 | S206 T213 R215 N242 N245 F250 | S206-Y247 PolarHBondContact OG-OH 2.76Å; T213-Y247 HydrophobicContact CG2-CD1 3.66Å; T213-Y247 HydrophobicContact CG2-CE1 4.21Å; R215-Y247 HydrophobicContact CB-CD1 4.48Å; R215-Y247 HydrophobicContact CB-CD2 3.57Å; R215-Y247 HydrophobicContact CB-CE2 3.76Å; R215-Y247 HydrophobicContact CB-CG 3.96Å; R215-Y247 HydrophobicContact CG-CD2 4.01Å; R215-Y247 HydrophobicContact CG-CE2 3.7Å; N242-Y247 WeakPolarHBondContact CB-O 3.46Å; N242-Y247 PolarHBondContact O-N 3.33Å; N242-Y247 WeakPolarHBondContact OD1-CB 3.44Å; N245-Y247 HydrophobicContact CB-CD1 4.13Å; N245-Y247 HydrophobicContact CB-CD2 3.96Å; N245-Y247 HydrophobicContact CB-CE1 3.67Å; N245-Y247 HydrophobicContact CB-CE2 3.49Å; N245-Y247 VanDerWaalsContact CB-CE2 3.49Å; N245-Y247 HydrophobicContact CB-CG 4.27Å; Y247-F250 HydrophobicContact CD2-CD2 4.34Å | ||
| 248 | D | 93 | Very high | 90.7 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -79.8 | -39.3 | 173.2 | -65.1 | -96.5 | 0 | 0 | 0 | 111 | K212 T213 G268 E269 | K212-D248 VanDerWaalsContact CA-OD2 3.3Å; K212-D248 WeakPolarHBondContact CA-OD2 3.28Å; K212-D248 HydrophobicContact CB-CB 4.25Å; K212-D248 HydrophobicContact CD-CB 3.75Å; K212-D248 WeakPolarHBondContact CD-OD1 3.48Å; K212-D248 IonicContact NZ-OD1 2.84Å; K212-D248 PolarHBondContact NZ-OD1 3.43Å; T213-D248 PolarHBondContact N-OD2 3.48Å; T213-D248 PolarHBondContact O-N 3.06Å; D248-G268 CarbonylContact O-C 3.58Å; D248-G268 WeakPolarHBondContact O-CA 3.12Å; D248-E269 CarbonylContact C-O 3.37Å; D248-E269 WeakPolarHBondContact CB-O 3.42Å; D248-E269 PolarHBondContact O-N 3.42Å |
| 249 | L | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.9 | -174.2 | -175.3 | 68.3 | 0 | 0 | 0 | 110.9 | T213 V214 R215 L251 V266 V274 | T213-L249 PolarHBondContact O-N 2.89Å; V214-L249 CarbonylContact C-O 3.53Å; V214-L249 VanDerWaalsContact CA-O 3.28Å; V214-L249 WeakPolarHBondContact CA-O 3.36Å; V214-L249 HydrophobicContact CG1-CB 4.27Å; V214-L249 HydrophobicContact CG1-CD2 4.18Å; V214-L249 HydrophobicContact CG1-CG 4.34Å; V214-L249 HydrophobicContact CG2-CB 4.15Å; V214-L249 HydrophobicContact CG2-CD2 4.34Å; R215-L249 PolarHBondContact N-O 2.79Å; L249-L251 HydrophobicContact CD1-CD2 4.29Å; L249-L251 HydrophobicContact CD2-CD2 4.09Å; L249-L251 HydrophobicContact CD2-CG 4.37Å; L249-L251 HydrophobicContact CG-CD2 4.01Å; L249-L251 HydrophobicContact CG-CG 4.33Å; L249-V266 HydrophobicContact CD1-CG1 3.68Å; L249-V274 HydrophobicContact CD2-CG2 3.84Å |
| 250 | F | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.5 | 173 | -153.3 | -57.4 | 0 | 0 | 0 | 109.4 | L200 R215 A217 M238 E241 N242 Y247 A267 | L200-F250 HydrophobicContact CB-CZ 4.03Å; L200-F250 HydrophobicContact CD2-CE1 3.99Å; L200-F250 HydrophobicContact CD2-CZ 4.13Å; L200-F250 HydrophobicContact CG-CZ 4.5Å; R215-F250 HydrophobicContact CB-CD1 4.44Å; R215-F250 HydrophobicContact CB-CD2 3.82Å; R215-F250 HydrophobicContact CB-CE2 3.97Å; R215-F250 HydrophobicContact CB-CG 4.06Å; R215-F250 HydrophobicContact CB-CZ 4.33Å; R215-F250 HydrophobicContact CG-CD1 4.38Å; R215-F250 HydrophobicContact CG-CD2 3.8Å; R215-F250 HydrophobicContact CG-CE1 4.02Å; R215-F250 HydrophobicContact CG-CE2 3.4Å; R215-F250 HydrophobicContact CG-CG 4.27Å; R215-F250 HydrophobicContact CG-CZ 3.5Å; R215-F250 CarbonylContact O-C 3.57Å; R215-F250 WeakPolarHBondContact O-CA 3.3Å; A217-F250 HydrophobicContact CB-CE1 3.64Å; A217-F250 HydrophobicContact CB-CZ 4.08Å; M238-F250 HydrophobicContact CB-CB 4.11Å; M238-F250 HydrophobicContact CB-CD1 4.37Å; M238-F250 HydrophobicContact CB-CD2 4.16Å; M238-F250 HydrophobicContact CB-CG 3.97Å; M238-F250 HydrophobicContact CE-CB 3.91Å; M238-F250 HydrophobicContact CE-CD1 3.66Å; M238-F250 HydrophobicContact CE-CG 4.05Å; M238-F250 WeakPolarHBondContact CE-O 3.46Å; M238-F250 HydrophobicContact CG-CB 4.49Å; M238-F250 HydrophobicContact CG-CD1 3.89Å; M238-F250 HydrophobicContact CG-CD2 4.37Å; M238-F250 HydrophobicContact CG-CE1 4.21Å; M238-F250 HydrophobicContact CG-CG 4.01Å; E241-F250 HydrophobicContact CB-CD2 4.24Å; E241-F250 HydrophobicContact CB-CE2 3.94Å; E241-F250 HydrophobicContact CG-CE2 4.49Å; E241-F250 WeakPolarHBondContact OE2-CE2 3.5Å; N242-F250 WeakPolarHBondContact OD1-CB 3.33Å; Y247-F250 HydrophobicContact CD2-CD2 4.34Å; F250-A267 HydrophobicContact CB-CB 4.38Å; F250-A267 PolarHBondContact N-O 3.34Å; F250-A267 PolarHBondContact O-N 2.86Å |
| 251 | L | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.8 | 175.3 | -58.5 | -174.7 | 0 | 0 | 0 | 109.2 | V214 R215 I216 A217 L249 L264 V266 V274 I298 I302 | V214-L251 HydrophobicContact CG1-CD1 4.22Å; V214-L251 HydrophobicContact CG1-CG 4.3Å; R215-L251 PolarHBondContact O-N 2.93Å; I216-L251 CarbonylContact C-O 3.56Å; I216-L251 VanDerWaalsContact CA-O 3.31Å; I216-L251 WeakPolarHBondContact CA-O 3.36Å; I216-L251 HydrophobicContact CD1-CD1 4.42Å; I216-L251 HydrophobicContact CG1-CB 4.26Å; I216-L251 HydrophobicContact CG1-CD1 4.25Å; I216-L251 HydrophobicContact CG2-CB 4.35Å; A217-L251 PolarHBondContact N-O 3.37Å; L249-L251 HydrophobicContact CD1-CD2 4.29Å; L249-L251 HydrophobicContact CD2-CD2 4.09Å; L249-L251 HydrophobicContact CD2-CG 4.37Å; L249-L251 HydrophobicContact CG-CD2 4.01Å; L249-L251 HydrophobicContact CG-CG 4.33Å; L251-L264 HydrophobicContact CB-CD1 3.99Å; L251-L264 HydrophobicContact CD2-CD1 4.45Å; L251-V266 HydrophobicContact CD2-CB 4.3Å; L251-V266 HydrophobicContact CD2-CG1 3.9Å; L251-V266 HydrophobicContact CD2-CG2 3.89Å; L251-V274 HydrophobicContact CD1-CG2 4.4Å; L251-V274 HydrophobicContact CD2-CG2 3.64Å; L251-I298 HydrophobicContact CD1-CG2 4.24Å; L251-I302 HydrophobicContact CD1-CD1 3.33Å |
| 252 | L | 94.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.4 | 169.3 | 169.2 | 64.7 | 0 | 0 | 0 | 108.5 | L200 A217 V219 L234 M238 V254 L264 L265 | L200-L252 HydrophobicContact CD2-CB 4.25Å; L200-L252 HydrophobicContact CD2-CD1 4.17Å; L200-L252 HydrophobicContact CD2-CD2 3.94Å; L200-L252 HydrophobicContact CD2-CG 4.34Å; A217-L252 HydrophobicContact CB-CD1 4.02Å; A217-L252 CarbonylContact O-C 3.54Å; A217-L252 WeakPolarHBondContact O-CA 3.4Å; V219-L252 HydrophobicContact CB-CD1 4.26Å; V219-L252 HydrophobicContact CG2-CD1 3.7Å; L234-L252 HydrophobicContact CD1-CD2 4.14Å; L234-L252 HydrophobicContact CD2-CD2 4.27Å; M238-L252 HydrophobicContact CE-CB 3.97Å; M238-L252 HydrophobicContact SD-CB 4.06Å; L252-V254 HydrophobicContact CD1-CG2 4.48Å; L252-V254 HydrophobicContact CD2-CG2 4.05Å; L252-V254 HydrophobicContact CG-CG2 3.94Å; L252-L264 CarbonylContact O-C 3.56Å; L252-L264 WeakPolarHBondContact O-CA 3.25Å; L252-L265 HydrophobicContact CB-CB 4.24Å; L252-L265 HydrophobicContact CD2-CD2 4.35Å; L252-L265 PolarHBondContact N-O 3.39Å; L252-L265 PolarHBondContact O-N 3.12Å |
| 253 | L | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.3 | 172.3 | -169.1 | 72.1 | 0 | 0 | 0 | 109.4 | A217 Q218 V219 L264 L289 I298 | A217-L253 PolarHBondContact O-N 2.66Å; Q218-L253 CarbonylContact C-O 3.56Å; Q218-L253 VanDerWaalsContact CA-O 3.27Å; Q218-L253 WeakPolarHBondContact CA-O 3.5Å; Q218-L253 HydrophobicContact CB-CB 4.48Å; Q218-L253 HydrophobicContact CG-CB 4.47Å; Q218-L253 HydrophobicContact CG-CD2 4.34Å; V219-L253 PolarHBondContact N-O 3.17Å; L253-L264 HydrophobicContact CD1-CD1 4.37Å; L253-L289 HydrophobicContact CD1-CD1 4.01Å; L253-I298 HydrophobicContact CB-CD1 4.2Å; L253-I298 HydrophobicContact CD1-CD1 3.5Å; L253-I298 HydrophobicContact CD2-CD1 3.54Å; L253-I298 HydrophobicContact CG-CD1 3.93Å |
| 254 | V | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 106.6 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | V219 T221 L224 V227 F228 L252 S262 E263 | V219-V254 CarbonylContact O-C 3.6Å; V219-V254 WeakPolarHBondContact O-CA 3.41Å; T221-V254 HydrophobicContact CG2-CG1 3.7Å; L224-V254 HydrophobicContact CD2-CB 4.15Å; L224-V254 HydrophobicContact CD2-CG1 3.71Å; L224-V254 WeakPolarHBondContact CD2-O 3.35Å; V227-V254 HydrophobicContact CB-CG1 3.87Å; V227-V254 HydrophobicContact CG1-CG1 3.87Å; V227-V254 HydrophobicContact CG1-CG2 3.81Å; V227-V254 HydrophobicContact CG2-CG1 3.79Å; F228-V254 HydrophobicContact CE1-CG2 4.36Å; F228-V254 HydrophobicContact CE2-CB 3.86Å; F228-V254 HydrophobicContact CE2-CG1 4.26Å; F228-V254 HydrophobicContact CE2-CG2 3.91Å; F228-V254 HydrophobicContact CZ-CB 3.97Å; F228-V254 HydrophobicContact CZ-CG2 3.6Å; L252-V254 HydrophobicContact CD1-CG2 4.48Å; L252-V254 HydrophobicContact CD2-CG2 4.05Å; L252-V254 HydrophobicContact CG-CG2 3.94Å; V254-S262 CarbonylContact O-C 3.46Å; V254-S262 WeakPolarHBondContact O-CA 3.4Å; V254-S262 WeakPolarHBondContact O-CB 3.34Å; V254-E263 PolarHBondContact N-O 3.44Å; V254-E263 PolarHBondContact O-N 2.88Å |
| 255 | T | 84.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.7 | -173.7 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | L151 Q218 V219 N220 T221 V257 S262 V293 | L151-T255 HydrophobicContact CD1-CG2 4.36Å; Q218-T255 PolarHBondContact NE2-OG1 3.19Å; V219-T255 PolarHBondContact O-N 2.86Å; N220-T255 CarbonylContact C-O 3.51Å; N220-T255 WeakPolarHBondContact CA-O 3.21Å; T221-T255 PolarHBondContact N-O 3.11Å; T255-V257 PolarHBondContact O-N 3.43Å; T255-S262 WeakPolarHBondContact CA-OG 3.3Å; T255-S262 WeakPolarHBondContact CB-OG 3.34Å; T255-S262 WeakPolarHBondContact CG2-OG 3.11Å; T255-S262 PolarHBondContact OG1-OG 3.45Å; T255-V293 HydrophobicContact CG2-CB 3.98Å; T255-V293 HydrophobicContact CG2-CG1 3.8Å |
| 256 | N | 82.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 17.4 Ų | 17.4 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.8 | 169.1 | -176.5 | -29.8 | 0 | 0 | 0 | 110.3 | T221 V222 L224 L258 N259 S260 D261 | T221-N256 CarbonylContact O-C 3.56Å; T221-N256 VanDerWaalsContact O-CA 3.26Å; T221-N256 WeakPolarHBondContact O-CA 3.31Å; V222-N256 PolarHBondContact O-ND2 3.27Å; L224-N256 HydrophobicContact CD1-CB 4.46Å; L224-N256 HydrophobicContact CD2-CB 4.13Å; L224-N256 HydrophobicContact CG-CB 4.08Å; N256-L258 PolarHBondContact O-N 2.87Å; N256-L258 WeakPolarHBondContact OD1-CB 3.32Å; N256-L258 PolarHBondContact OD1-N 3.4Å; N256-N259 WeakPolarHBondContact CB-OD1 3.21Å; N256-N259 VanDerWaalsContact CG-OD1 3.3Å; N256-N259 PolarHBondContact O-OD1 3.27Å; N256-S260 WeakPolarHBondContact O-CA 3.39Å; N256-S260 PolarHBondContact O-N 3.32Å; N256-D261 PolarHBondContact N-O 3.26Å |
| 257 | V | 72.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.4 | -174.3 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | L151 K154 L185 T189 N220 T221 V222 T255 | L151-V257 HydrophobicContact CD2-CG1 4.21Å; K154-V257 PolarHBondContact NZ-O 3.02Å; L185-V257 HydrophobicContact CB-CG2 4.29Å; T189-V257 HydrophobicContact CG2-CG2 4.17Å; N220-V257 HydrophobicContact CB-CG1 3.66Å; T221-V257 PolarHBondContact O-N 3.36Å; V222-V257 HydrophobicContact CG1-CG2 3.99Å; T255-V257 PolarHBondContact O-N 3.43Å |
| 258 | L | 67.2 | Low | 86.7 | Confident | 79 Ų | 79 | 14.2 Ų | 14.2 | 41% | 0.414 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -41 | -178.5 | -59 | -178.9 | 0 | 0 | 0 | 112.4 | K154 L182 V222 N256 | K154-L258 PolarHBondContact NZ-O 3.49Å; L182-L258 HydrophobicContact CD2-CD2 4.15Å; V222-L258 HydrophobicContact CB-CD1 3.94Å; V222-L258 HydrophobicContact CB-CG 4.34Å; V222-L258 HydrophobicContact CG1-CD1 3.98Å; V222-L258 HydrophobicContact CG1-CD2 4.39Å; V222-L258 HydrophobicContact CG1-CG 4.01Å; N256-L258 PolarHBondContact O-N 2.87Å; N256-L258 WeakPolarHBondContact OD1-CB 3.32Å; N256-L258 PolarHBondContact OD1-N 3.4Å |
| 259 | N | 69.3 | Low | 86.6 | Confident | 65 Ų | 65 | 16.7 Ų | 16.7 | 35% | 0.348 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -6 | -179.4 | 65 | 5.3 | 0 | 0 | 0 | 114 | N256 D261 | N256-N259 WeakPolarHBondContact CB-OD1 3.21Å; N256-N259 VanDerWaalsContact CG-OD1 3.3Å; N256-N259 PolarHBondContact O-OD1 3.27Å; N259-D261 PolarHBondContact O-N 3.47Å; N259-D261 PolarHBondContact OD1-N 2.84Å; N259-D261 VanDerWaalsContact OD1-N 3.11Å |
| 260 | S | 70.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 18.3 Ų | 18.3 | 11% | 0.112 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 28.7 | -178.3 | -68.9 | 0 | 0 | 0 | 0 | 114.6 | K154 N256 G291 V293 | K154-S260 WeakPolarHBondContact CB-OG 3.29Å; K154-S260 WeakPolarHBondContact CD-OG 3.37Å; N256-S260 WeakPolarHBondContact O-CA 3.39Å; N256-S260 PolarHBondContact O-N 3.32Å; S260-G291 VanDerWaalsContact O-CA 3.27Å; S260-G291 WeakPolarHBondContact O-CA 3.48Å; S260-G291 PolarHBondContact O-N 3.14Å; S260-V293 VanDerWaalsContact C-CG1 3.45Å; S260-V293 WeakPolarHBondContact O-CG1 3.24Å |
| 261 | D | 76.6 | Confident | 86.1 | Confident | 28 Ų | 28 | 21.7 Ų | 21.7 | 15% | 0.15 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 150.5 | 168.4 | -69.6 | -33.7 | 0 | 0 | 0 | 110.6 | N256 N259 F288 P290 G291 | N256-D261 PolarHBondContact N-O 3.26Å; N259-D261 PolarHBondContact O-N 3.47Å; N259-D261 PolarHBondContact OD1-N 2.84Å; N259-D261 VanDerWaalsContact OD1-N 3.11Å; D261-F288 HydrophobicContact CB-CE2 3.72Å; D261-F288 HydrophobicContact CB-CZ 3.72Å; D261-F288 WeakPolarHBondContact OD2-CZ 3.26Å; D261-P290 WeakPolarHBondContact OD1-CA 3.46Å; D261-G291 PolarHBondContact OD1-N 3.08Å |
| 262 | S | 83.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157.4 | 172 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | V254 T255 L289 V292 | V254-S262 CarbonylContact O-C 3.46Å; V254-S262 WeakPolarHBondContact O-CA 3.4Å; V254-S262 WeakPolarHBondContact O-CB 3.34Å; T255-S262 WeakPolarHBondContact CA-OG 3.3Å; T255-S262 WeakPolarHBondContact CB-OG 3.34Å; T255-S262 WeakPolarHBondContact CG2-OG 3.11Å; T255-S262 PolarHBondContact OG1-OG 3.45Å; S262-L289 PolarHBondContact N-O 2.81Å; S262-L289 CarbonylContact O-C 3.48Å; S262-L289 WeakPolarHBondContact O-CA 3.34Å; S262-L289 PolarHBondContact O-N 2.85Å; S262-V292 WeakPolarHBondContact CB-O 3.32Å; S262-V292 PolarHBondContact OG-O 3.43Å |
| 263 | E | 90.9 | Very high | 85 | Confident | 24 Ų | 24 | 27.4 Ų | 27.4 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.3 | 167.4 | -172.6 | 165.2 | -159.9 | 0 | 0 | 110.3 | F228 V254 R286 | F228-E263 WeakPolarHBondContact CD2-OE2 3.12Å; F228-E263 HydrophobicContact CE1-CG 4.48Å; F228-E263 HydrophobicContact CE2-CB 3.61Å; F228-E263 HydrophobicContact CE2-CG 3.76Å; F228-E263 WeakPolarHBondContact CE2-OE2 3.35Å; F228-E263 HydrophobicContact CZ-CB 3.76Å; F228-E263 HydrophobicContact CZ-CG 3.63Å; V254-E263 PolarHBondContact N-O 3.44Å; V254-E263 PolarHBondContact O-N 2.88Å; E263-R286 VanDerWaalsContact CD-CZ 3.49Å; E263-R286 HydrophobicContact CG-CB 4.46Å; E263-R286 IonicContact OE1-CZ 3.03Å; E263-R286 IonicContact OE1-NE 3.27Å; E263-R286 PolarHBondContact OE1-NE 2.94Å; E263-R286 IonicContact OE1-NH2 2.73Å; E263-R286 PolarHBondContact OE1-NH2 2.84Å; E263-R286 IonicContact OE2-CZ 3.09Å; E263-R286 IonicContact OE2-NE 3.91Å; E263-R286 IonicContact OE2-NH2 3.37Å; E263-R286 PolarHBondContact OE2-NH2 3.46Å |
| 264 | L | 92.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.3 | -176.7 | -175.4 | 71.1 | 0 | 0 | 0 | 109.4 | L251 L252 L253 V266 V274 F278 R286 A287 L289 | L251-L264 HydrophobicContact CB-CD1 3.99Å; L251-L264 HydrophobicContact CD2-CD1 4.45Å; L252-L264 CarbonylContact O-C 3.56Å; L252-L264 WeakPolarHBondContact O-CA 3.25Å; L253-L264 HydrophobicContact CD1-CD1 4.37Å; L264-V266 HydrophobicContact CD2-CG2 3.76Å; L264-V266 HydrophobicContact CG-CG2 3.89Å; L264-V274 HydrophobicContact CD2-CG1 3.29Å; L264-F278 HydrophobicContact CD2-CD2 4.35Å; L264-F278 HydrophobicContact CD2-CE2 4.39Å; L264-R286 CarbonylContact O-C 3.54Å; L264-R286 WeakPolarHBondContact O-CA 3.49Å; L264-A287 PolarHBondContact N-O 2.91Å; L264-A287 PolarHBondContact O-N 2.91Å; L264-L289 HydrophobicContact CB-CD1 3.79Å; L264-L289 HydrophobicContact CB-CG 4.17Å; L264-L289 HydrophobicContact CD2-CD1 4.23Å; L264-L289 HydrophobicContact CG-CD1 4.44Å |
| 265 | L | 95 | Very high | 84.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134 | 164.3 | -177.2 | 63.7 | 0 | 0 | 0 | 109.4 | F228 Q231 L234 M238 L252 D285 R286 | F228-L265 HydrophobicContact CE1-CB 4.19Å; Q231-L265 HydrophobicContact CG-CD1 4.01Å; Q231-L265 HydrophobicContact CG-CD2 4.32Å; L234-L265 HydrophobicContact CB-CD2 4.02Å; M238-L265 HydrophobicContact CE-CG 4.25Å; M238-L265 WeakPolarHBondContact CE-O 3.17Å; M238-L265 HydrophobicContact SD-CD2 3.68Å; M238-L265 HydrophobicContact SD-CG 3.97Å; L252-L265 HydrophobicContact CB-CB 4.24Å; L252-L265 HydrophobicContact CD2-CD2 4.35Å; L252-L265 PolarHBondContact N-O 3.39Å; L252-L265 PolarHBondContact O-N 3.12Å; L265-D285 HydrophobicContact CD1-CB 3.97Å; L265-R286 HydrophobicContact CD1-CG 3.85Å |
| 266 | V | 94.8 | Very high | 84 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.5 | -173.5 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | L249 L251 L264 R271 V274 L282 D285 | L249-V266 HydrophobicContact CD1-CG1 3.68Å; L251-V266 HydrophobicContact CD2-CB 4.3Å; L251-V266 HydrophobicContact CD2-CG1 3.9Å; L251-V266 HydrophobicContact CD2-CG2 3.89Å; L264-V266 HydrophobicContact CD2-CG2 3.76Å; L264-V266 HydrophobicContact CG-CG2 3.89Å; V266-R271 HydrophobicContact CG1-CG 4.19Å; V266-V274 HydrophobicContact CG1-CG2 4.23Å; V266-V274 HydrophobicContact CG2-CG1 4.04Å; V266-V274 HydrophobicContact CG2-CG2 4.46Å; V266-L282 HydrophobicContact CB-CD1 4.26Å; V266-L282 HydrophobicContact CB-CD2 4.43Å; V266-L282 HydrophobicContact CG1-CD1 4.41Å; V266-L282 HydrophobicContact CG2-CD1 4.15Å; V266-L282 HydrophobicContact CG2-CD2 3.67Å; V266-D285 PolarHBondContact N-O 3.39Å |
| 267 | A | 95.4 | Very high | 83.5 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R235 M238 L239 N242 F250 | R235-A267 HydrophobicContact CG-CB 4.48Å; M238-A267 HydrophobicContact CB-CB 3.68Å; M238-A267 HydrophobicContact CE-CB 3.71Å; M238-A267 HydrophobicContact SD-CB 4.3Å; L239-A267 HydrophobicContact CD2-CB 4.06Å; L239-A267 HydrophobicContact CG-CB 4.19Å; N242-A267 PolarHBondContact ND2-O 2.71Å; F250-A267 HydrophobicContact CB-CB 4.38Å; F250-A267 PolarHBondContact N-O 3.34Å; F250-A267 PolarHBondContact O-N 2.86Å |
| 268 | G | 94 | Very high | 83.4 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.8 | -167.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D248 R271 | D248-G268 CarbonylContact O-C 3.58Å; D248-G268 WeakPolarHBondContact O-CA 3.12Å; G268-R271 WeakPolarHBondContact O-CG 3.39Å; G268-R271 PolarHBondContact O-NE 3.38Å |
| 269 | E | 90.5 | Very high | 84.1 | Confident | 101 Ų | 101 | 40.8 Ų | 40.8 | 47% | 0.472 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -141.5 | 150.9 | -173.4 | -68.7 | -61.7 | 164.1 | 0 | 0 | 110.4 | D248 R271 | D248-E269 CarbonylContact C-O 3.37Å; D248-E269 WeakPolarHBondContact CB-O 3.42Å; D248-E269 PolarHBondContact O-N 3.42Å; E269-R271 VanDerWaalsContact OE1-CD 3.3Å; E269-R271 WeakPolarHBondContact OE1-CD 3.49Å; E269-R271 IonicContact OE1-NE 2.66Å; E269-R271 PolarHBondContact OE1-NE 3.42Å; E269-R271 WeakPolarHBondContact OE2-CG 3.41Å; E269-R271 PolarHBondContact OE2-N 3.16Å |
| 270 | P | 88.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | cis | -86.2 | 128.1 | 5.9 | 31.9 | -33.2 | 0 | 0 | 0 | 113.6 | M273 | P270-M273 HydrophobicContact CG-CB 4.27Å; P270-M273 WeakPolarHBondContact O-CB 3.31Å | ||
| 271 | R | 89.1 | Confident | 85.4 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | trans | -73.8 | -26.7 | 178.4 | -68.6 | 171.4 | 173 | -145.1 | -9.5 | 113.5 | V266 G268 E269 M273 V274 T275 L282 D285 | V266-R271 HydrophobicContact CG1-CG 4.19Å; G268-R271 WeakPolarHBondContact O-CG 3.39Å; G268-R271 PolarHBondContact O-NE 3.38Å; E269-R271 VanDerWaalsContact OE1-CD 3.3Å; E269-R271 WeakPolarHBondContact OE1-CD 3.49Å; E269-R271 IonicContact OE1-NE 2.66Å; E269-R271 PolarHBondContact OE1-NE 3.42Å; E269-R271 WeakPolarHBondContact OE2-CG 3.41Å; E269-R271 PolarHBondContact OE2-N 3.16Å; R271-M273 PolarHBondContact O-N 2.98Å; R271-V274 WeakPolarHBondContact O-CB 3.15Å; R271-V274 PolarHBondContact O-N 3.09Å; R271-V274 VanDerWaalsContact O-N 3.09Å; R271-T275 PolarHBondContact O-N 2.88Å; R271-L282 HydrophobicContact CB-CD1 4.15Å; R271-L282 HydrophobicContact CG-CD1 4.46Å; R271-D285 IonicContact CZ-OD1 3.35Å; R271-D285 IonicContact NH1-OD1 2.68Å; R271-D285 PolarHBondContact NH1-OD1 2.95Å; R271-D285 IonicContact NH2-OD1 3.46Å; R271-D285 PolarHBondContact NH2-OD1 3.5Å; R271-D285 IonicContact NH2-OD2 2.84Å | ||
| 272 | E | 84.6 | Confident | 86 | Confident | 114 Ų | 114 | 47.5 Ų | 47.5 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59 | -37 | -179.4 | -64.1 | 77.8 | -168.9 | 0 | 0 | 111.2 | V274 T275 E276 | E272-V274 PolarHBondContact O-N 3.11Å; E272-T275 WeakPolarHBondContact CA-OG1 3.31Å; E272-T275 PolarHBondContact O-N 3.11Å; E272-T275 VanDerWaalsContact O-N 3.14Å; E272-T275 PolarHBondContact O-OG1 3.37Å; E272-E276 WeakPolarHBondContact O-CB 3.21Å; E272-E276 WeakPolarHBondContact O-CG 3.27Å; E272-E276 PolarHBondContact O-N 3.36Å |
| 273 | M | 80.9 | Confident | 86.3 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53 | -41.2 | 177.3 | -165.3 | -168.6 | -154.1 | 0 | 0 | 111.8 | M209 P270 R271 A277 I302 Q306 | M209-M273 HydrophobicContact CB-CE 3.92Å; M209-M273 HydrophobicContact CG-CE 4.44Å; M209-M273 HydrophobicContact SD-CE 3.73Å; M209-M273 HydrophobicContact SD-SD 4.26Å; P270-M273 HydrophobicContact CG-CB 4.27Å; P270-M273 WeakPolarHBondContact O-CB 3.31Å; R271-M273 PolarHBondContact O-N 2.98Å; M273-A277 WeakPolarHBondContact O-CB 3.41Å; M273-A277 PolarHBondContact O-N 2.78Å; M273-A277 VanDerWaalsContact O-N 3.13Å; M273-I302 HydrophobicContact CE-CG2 3.35Å; M273-I302 HydrophobicContact CG-CG2 3.73Å; M273-I302 HydrophobicContact SD-CG2 3.41Å; M273-I302 WeakPolarHBondContact SD-CG2 3.34Å; M273-Q306 HydrophobicContact CE-CB 4.17Å; M273-Q306 HydrophobicContact CE-CG 4.3Å |
| 274 | V | 81.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -50 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | L249 L251 L264 V266 R271 E272 E276 A277 F278 | L249-V274 HydrophobicContact CD2-CG2 3.84Å; L251-V274 HydrophobicContact CD1-CG2 4.4Å; L251-V274 HydrophobicContact CD2-CG2 3.64Å; L264-V274 HydrophobicContact CD2-CG1 3.29Å; V266-V274 HydrophobicContact CG1-CG2 4.23Å; V266-V274 HydrophobicContact CG2-CG1 4.04Å; V266-V274 HydrophobicContact CG2-CG2 4.46Å; R271-V274 WeakPolarHBondContact O-CB 3.15Å; R271-V274 PolarHBondContact O-N 3.09Å; R271-V274 VanDerWaalsContact O-N 3.09Å; E272-V274 PolarHBondContact O-N 3.11Å; V274-E276 VanDerWaalsContact C-N 3.27Å; V274-E276 PolarHBondContact O-N 3.19Å; V274-A277 PolarHBondContact O-N 2.74Å; V274-F278 HydrophobicContact CG1-CD2 3.86Å; V274-F278 HydrophobicContact CG1-CE2 4.21Å; V274-F278 WeakPolarHBondContact O-CD2 3.31Å; V274-F278 PolarHBondContact O-N 2.79Å |
| 275 | T | 83.8 | Confident | 86.3 | Confident | 39 Ų | 39 | 60 Ų | 60 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -36.4 | -177.7 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | R271 E272 K279 V280 L282 | R271-T275 PolarHBondContact O-N 2.88Å; E272-T275 WeakPolarHBondContact CA-OG1 3.31Å; E272-T275 PolarHBondContact O-N 3.11Å; E272-T275 VanDerWaalsContact O-N 3.14Å; E272-T275 PolarHBondContact O-OG1 3.37Å; T275-K279 WeakPolarHBondContact O-CA 3.16Å; T275-K279 PolarHBondContact O-N 2.78Å; T275-V280 VanDerWaalsContact CB-O 3.29Å; T275-V280 WeakPolarHBondContact CB-O 3.28Å; T275-V280 PolarHBondContact O-N 3.02Å; T275-L282 HydrophobicContact CG2-CD1 4.03Å; T275-L282 HydrophobicContact CG2-CG 3.85Å |
| 276 | E | 79 | Confident | 86.2 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.3 | -36 | 177.7 | -70.8 | -172.6 | 170.4 | 0 | 0 | 113.2 | E272 V274 R305 | E272-E276 WeakPolarHBondContact O-CB 3.21Å; E272-E276 WeakPolarHBondContact O-CG 3.27Å; E272-E276 PolarHBondContact O-N 3.36Å; V274-E276 VanDerWaalsContact C-N 3.27Å; V274-E276 PolarHBondContact O-N 3.19Å; E276-R305 PolarHBondContact O-NH1 2.83Å |
| 277 | A | 71.2 | Confident | 86 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M273 V274 I302 | M273-A277 WeakPolarHBondContact O-CB 3.41Å; M273-A277 PolarHBondContact O-N 2.78Å; M273-A277 VanDerWaalsContact O-N 3.13Å; V274-A277 PolarHBondContact O-N 2.74Å; A277-I302 HydrophobicContact CB-CG1 3.86Å |
| 278 | F | 72.3 | Confident | 85.6 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -94.5 | -7.9 | -177.9 | -61.6 | -69.9 | 0 | 0 | 0 | 114.1 | L264 V274 V280 L289 I298 I302 | L264-F278 HydrophobicContact CD2-CD2 4.35Å; L264-F278 HydrophobicContact CD2-CE2 4.39Å; V274-F278 HydrophobicContact CG1-CD2 3.86Å; V274-F278 HydrophobicContact CG1-CE2 4.21Å; V274-F278 WeakPolarHBondContact O-CD2 3.31Å; V274-F278 PolarHBondContact O-N 2.79Å; F278-V280 HydrophobicContact CB-CB 4.46Å; F278-V280 HydrophobicContact CB-CG1 3.96Å; F278-V280 HydrophobicContact CB-CG2 3.81Å; F278-V280 PolarHBondContact O-N 3.11Å; F278-L289 HydrophobicContact CB-CD2 3.68Å; F278-L289 HydrophobicContact CD1-CD1 4.13Å; F278-L289 HydrophobicContact CD1-CD2 3.98Å; F278-L289 HydrophobicContact CD2-CD2 4.48Å; F278-L289 HydrophobicContact CE1-CD1 4.29Å; F278-L289 HydrophobicContact CG-CD1 4.28Å; F278-L289 HydrophobicContact CG-CD2 3.77Å; F278-I298 HydrophobicContact CE1-CB 4.44Å; F278-I298 HydrophobicContact CE1-CG1 3.96Å; F278-I298 HydrophobicContact CE2-CG2 4.2Å; F278-I298 HydrophobicContact CZ-CB 3.84Å; F278-I298 HydrophobicContact CZ-CD1 4.48Å; F278-I298 HydrophobicContact CZ-CG1 3.72Å; F278-I298 HydrophobicContact CZ-CG2 3.61Å; F278-I302 HydrophobicContact CE2-CD1 4.21Å; F278-I302 HydrophobicContact CE2-CG1 4.14Å; F278-I302 HydrophobicContact CZ-CG1 4.38Å |
| 279 | K | 80.8 | Confident | 85 | Confident | 168 Ų | 168 | 66.7 Ų | 66.7 | 73% | 0.73 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 40.3 | -173.9 | -56.8 | -179.5 | -178.4 | 175.8 | 0 | 112.4 | T275 | T275-K279 WeakPolarHBondContact O-CA 3.16Å; T275-K279 PolarHBondContact O-N 2.78Å |
| 280 | V | 81.6 | Confident | 84 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | trans | -113.9 | 161.6 | -179.8 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | T275 F278 A287 L289 | T275-V280 VanDerWaalsContact CB-O 3.29Å; T275-V280 WeakPolarHBondContact CB-O 3.28Å; T275-V280 PolarHBondContact O-N 3.02Å; F278-V280 HydrophobicContact CB-CB 4.46Å; F278-V280 HydrophobicContact CB-CG1 3.96Å; F278-V280 HydrophobicContact CB-CG2 3.81Å; F278-V280 PolarHBondContact O-N 3.11Å; V280-A287 HydrophobicContact CB-CB 3.88Å; V280-A287 HydrophobicContact CG1-CB 4.43Å; V280-A287 HydrophobicContact CG2-CB 3.46Å; V280-A287 VanDerWaalsContact CG2-CB 3.46Å; V280-L289 HydrophobicContact CG1-CD2 3.82Å; V280-L289 HydrophobicContact CG2-CD2 4.45Å | ||
| 281 | K | 87.2 | Confident | 82.8 | Confident | 176 Ų | 176 | 66.6 Ų | 66.6 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | trans | -100.5 | 140.5 | 164.1 | -68.7 | -176.8 | 178.6 | -179.7 | 0 | 108.2 | ||||
| 282 | L | 89.2 | Confident | 81.8 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | trans | -83.1 | 123.3 | 170.3 | -64.8 | 171.8 | 0 | 0 | 0 | 109 | V266 R271 T275 R286 A287 | V266-L282 HydrophobicContact CB-CD1 4.26Å; V266-L282 HydrophobicContact CB-CD2 4.43Å; V266-L282 HydrophobicContact CG1-CD1 4.41Å; V266-L282 HydrophobicContact CG2-CD1 4.15Å; V266-L282 HydrophobicContact CG2-CD2 3.67Å; R271-L282 HydrophobicContact CB-CD1 4.15Å; R271-L282 HydrophobicContact CG-CD1 4.46Å; T275-L282 HydrophobicContact CG2-CD1 4.03Å; T275-L282 HydrophobicContact CG2-CG 3.85Å; L282-R286 CarbonylContact C-O 3.58Å; L282-R286 VanDerWaalsContact CA-O 3.26Å; L282-R286 WeakPolarHBondContact CA-O 3.39Å; L282-A287 HydrophobicContact CD2-CB 3.86Å | ||
| 283 | E | 89.1 | Confident | 80.8 | Confident | 152 Ų | 152 | 59.1 Ų | 59.1 | 71% | 0.71 | 30% | 0.304 | S | S | * | . | B | Isolated β-bridge | trans | -115.1 | 117.9 | 171.1 | -66.4 | -172.2 | -179.5 | 0 | 0 | 107.7 | D285 R286 | E283-D285 VanDerWaalsContact C-N 3.32Å; E283-D285 PolarHBondContact O-N 3.11Å; E283-R286 PolarHBondContact N-O 3.49Å; E283-R286 WeakPolarHBondContact O-CB 3.46Å; E283-R286 PolarHBondContact O-N 3.44Å |
| 284 | N | 90.9 | Very high | 79.8 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 49.5 | -174 | -163.3 | 36 | 0 | 0 | 0 | 113.1 | Q231 R286 | Q231-N284 PolarHBondContact NE2-ND2 3.19Å; Q231-N284 PolarHBondContact NE2-O 3Å; N284-R286 PolarHBondContact O-N 3.03Å; N284-R286 VanDerWaalsContact O-N 3.09Å |
| 285 | D | 93.1 | Very high | 78.6 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 7.3 | -176.3 | -53.7 | -38.3 | 0 | 0 | 0 | 115.4 | R235 L265 V266 R271 E283 | R235-D285 WeakPolarHBondContact CD-OD2 3.3Å; R235-D285 IonicContact NH1-OD2 3.46Å; L265-D285 HydrophobicContact CD1-CB 3.97Å; V266-D285 PolarHBondContact N-O 3.39Å; R271-D285 IonicContact CZ-OD1 3.35Å; R271-D285 IonicContact NH1-OD1 2.68Å; R271-D285 PolarHBondContact NH1-OD1 2.95Å; R271-D285 IonicContact NH2-OD1 3.46Å; R271-D285 PolarHBondContact NH2-OD1 3.5Å; R271-D285 IonicContact NH2-OD2 2.84Å; E283-D285 VanDerWaalsContact C-N 3.32Å; E283-D285 PolarHBondContact O-N 3.11Å |
| 286 | R | 93 | Very high | 77.1 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 150.4 | -177.1 | -75.3 | 164.6 | 59.4 | 179.7 | 4.8 | 114 | F228 Q231 E263 L264 L265 L282 E283 N284 | F228-R286 HydrophobicContact CD1-CG 4.35Å; F228-R286 HydrophobicContact CE1-CG 3.9Å; F228-R286 VanDerWaalsContact CG-CZ 3.41Å; Q231-R286 VanDerWaalsContact CD-CD 3.41Å; E263-R286 VanDerWaalsContact CD-CZ 3.49Å; E263-R286 HydrophobicContact CG-CB 4.46Å; E263-R286 IonicContact OE1-CZ 3.03Å; E263-R286 IonicContact OE1-NE 3.27Å; E263-R286 PolarHBondContact OE1-NE 2.94Å; E263-R286 IonicContact OE1-NH2 2.73Å; E263-R286 PolarHBondContact OE1-NH2 2.84Å; E263-R286 IonicContact OE2-CZ 3.09Å; E263-R286 IonicContact OE2-NE 3.91Å; E263-R286 IonicContact OE2-NH2 3.37Å; E263-R286 PolarHBondContact OE2-NH2 3.46Å; L264-R286 CarbonylContact O-C 3.54Å; L264-R286 WeakPolarHBondContact O-CA 3.49Å; L265-R286 HydrophobicContact CD1-CG 3.85Å; L282-R286 CarbonylContact C-O 3.58Å; L282-R286 VanDerWaalsContact CA-O 3.26Å; L282-R286 WeakPolarHBondContact CA-O 3.39Å; E283-R286 PolarHBondContact N-O 3.49Å; E283-R286 WeakPolarHBondContact O-CB 3.46Å; E283-R286 PolarHBondContact O-N 3.44Å; N284-R286 PolarHBondContact O-N 3.03Å; N284-R286 VanDerWaalsContact O-N 3.09Å |
| 287 | A | 90.2 | Very high | 75.7 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 132.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L264 V280 L282 | L264-A287 PolarHBondContact N-O 2.91Å; L264-A287 PolarHBondContact O-N 2.91Å; V280-A287 HydrophobicContact CB-CB 3.88Å; V280-A287 HydrophobicContact CG1-CB 4.43Å; V280-A287 HydrophobicContact CG2-CB 3.46Å; V280-A287 VanDerWaalsContact CG2-CB 3.46Å; L282-A287 HydrophobicContact CD2-CB 3.86Å |
| 288 | F | 85.9 | Confident | 74.8 | Confident | 97 Ų | 97 | 59.5 Ų | 59.5 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128 | 170.4 | -173.8 | -116.1 | 0 | 0 | 0 | 110.4 | D261 P290 | D261-F288 HydrophobicContact CB-CE2 3.72Å; D261-F288 HydrophobicContact CB-CZ 3.72Å; D261-F288 WeakPolarHBondContact OD2-CZ 3.26Å; F288-P290 HydrophobicContact CD1-CB 4.33Å; F288-P290 HydrophobicContact CD1-CG 4.23Å; F288-P290 HydrophobicContact CE1-CB 3.72Å; F288-P290 HydrophobicContact CE1-CG 4.09Å; F288-P290 HydrophobicContact CZ-CB 4.27Å; F288-P290 WeakPolarHBondContact O-CD 3.31Å |
| 289 | L | 81.7 | Confident | 73.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 80.9 | -177.3 | -60.8 | -174.5 | 0 | 0 | 0 | 109.7 | L253 S262 L264 F278 V280 G291 V292 | L253-L289 HydrophobicContact CD1-CD1 4.01Å; S262-L289 PolarHBondContact N-O 2.81Å; S262-L289 CarbonylContact O-C 3.48Å; S262-L289 WeakPolarHBondContact O-CA 3.34Å; S262-L289 PolarHBondContact O-N 2.85Å; L264-L289 HydrophobicContact CB-CD1 3.79Å; L264-L289 HydrophobicContact CB-CG 4.17Å; L264-L289 HydrophobicContact CD2-CD1 4.23Å; L264-L289 HydrophobicContact CG-CD1 4.44Å; F278-L289 HydrophobicContact CB-CD2 3.68Å; F278-L289 HydrophobicContact CD1-CD1 4.13Å; F278-L289 HydrophobicContact CD1-CD2 3.98Å; F278-L289 HydrophobicContact CD2-CD2 4.48Å; F278-L289 HydrophobicContact CE1-CD1 4.29Å; F278-L289 HydrophobicContact CG-CD1 4.28Å; F278-L289 HydrophobicContact CG-CD2 3.77Å; V280-L289 HydrophobicContact CG1-CD2 3.82Å; V280-L289 HydrophobicContact CG2-CD2 4.45Å; L289-G291 PolarHBondContact O-N 2.83Å; L289-V292 HydrophobicContact CB-CB 3.82Å; L289-V292 HydrophobicContact CB-CG2 3.89Å; L289-V292 HydrophobicContact CD1-CG1 4.35Å; L289-V292 PolarHBondContact O-N 3.12Å |
| 290 | P | 69.7 | Low | 72.3 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 133.6 | -176.8 | 24.2 | -31.8 | 0 | 0 | 0 | 111.3 | D261 F288 V292 | D261-P290 WeakPolarHBondContact OD1-CA 3.46Å; F288-P290 HydrophobicContact CD1-CB 4.33Å; F288-P290 HydrophobicContact CD1-CG 4.23Å; F288-P290 HydrophobicContact CE1-CB 3.72Å; F288-P290 HydrophobicContact CE1-CG 4.09Å; F288-P290 HydrophobicContact CZ-CB 4.27Å; F288-P290 WeakPolarHBondContact O-CD 3.31Å; P290-V292 PolarHBondContact O-N 3.37Å |
| 291 | G | 65.2 | Low | 70.4 | Confident | 48 Ų | 48 | 53 Ų | 53 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 5.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S260 D261 L289 | S260-G291 VanDerWaalsContact O-CA 3.27Å; S260-G291 WeakPolarHBondContact O-CA 3.48Å; S260-G291 PolarHBondContact O-N 3.14Å; D261-G291 PolarHBondContact OD1-N 3.08Å; L289-G291 PolarHBondContact O-N 2.83Å |
| 292 | V | 67 | Low | 68.3 | Low | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | trans | -92.6 | 106.1 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | S262 L289 P290 I298 | S262-V292 WeakPolarHBondContact CB-O 3.32Å; S262-V292 PolarHBondContact OG-O 3.43Å; L289-V292 HydrophobicContact CB-CB 3.82Å; L289-V292 HydrophobicContact CB-CG2 3.89Å; L289-V292 HydrophobicContact CD1-CG1 4.35Å; L289-V292 PolarHBondContact O-N 3.12Å; P290-V292 PolarHBondContact O-N 3.37Å; V292-I298 HydrophobicContact CG1-CD1 4.05Å; V292-I298 HydrophobicContact CG1-CG1 3.8Å | ||
| 293 | V | 62.7 | Low | 65.9 | Low | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | trans | -124 | 0.5 | -177.5 | -60.7 | 0 | 0 | 0 | 0 | 114.7 | L151 Q218 T255 S260 | L151-V293 HydrophobicContact CD1-CB 3.71Å; L151-V293 HydrophobicContact CD1-CG1 4.34Å; L151-V293 HydrophobicContact CD1-CG2 4Å; Q218-V293 PolarHBondContact NE2-O 3.03Å; T255-V293 HydrophobicContact CG2-CB 3.98Å; T255-V293 HydrophobicContact CG2-CG1 3.8Å; S260-V293 VanDerWaalsContact C-CG1 3.45Å; S260-V293 WeakPolarHBondContact O-CG1 3.24Å | ||
| 294 | S | 59.9 | Low | 63.5 | Low | 16 Ų | 16 | 41.4 Ų | 41.4 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | trans | -121.9 | 122.1 | -173.1 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | F296 L297 I298 | S294-F296 PolarHBondContact O-N 3Å; S294-F296 VanDerWaalsContact O-N 3.13Å; S294-F296 WeakPolarHBondContact OG-CB 3.28Å; S294-F296 PolarHBondContact OG-N 2.88Å; S294-L297 PolarHBondContact O-N 2.8Å; S294-I298 PolarHBondContact O-N 3.26Å | ||
| 295 | Q | 57 | Low | 61 | Low | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.9 | -33.8 | 170.9 | -55.9 | -172.1 | -1.3 | 0 | 0 | 112.4 | D203 Q218 L297 I298 A299 | D203-Q295 PolarHBondContact O-NE2 3.02Å; D203-Q295 VanDerWaalsContact O-NE2 3.13Å; D203-Q295 PolarHBondContact OD1-NE2 3Å; D203-Q295 PolarHBondContact OD2-NE2 3.38Å; Q218-Q295 HydrophobicContact CB-CG 3.96Å; Q295-L297 VanDerWaalsContact C-N 3.3Å; Q295-L297 PolarHBondContact O-N 3.42Å; Q295-I298 PolarHBondContact O-N 2.8Å; Q295-I298 VanDerWaalsContact O-N 3.15Å; Q295-A299 PolarHBondContact O-N 3.49Å |
| 296 | F | 52.4 | Low | 58.3 | Low | 98 Ų | 98 | 45 Ų | 45 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 177.7 | -173.6 | -90.3 | 0 | 0 | 0 | 111.1 | S294 I298 H300 | S294-F296 PolarHBondContact O-N 3Å; S294-F296 VanDerWaalsContact O-N 3.13Å; S294-F296 WeakPolarHBondContact OG-CB 3.28Å; S294-F296 PolarHBondContact OG-N 2.88Å; F296-I298 VanDerWaalsContact C-N 3.3Å; F296-I298 PolarHBondContact O-N 3.16Å; F296-H300 AromaticContact CD1-CE1 3.75Å; F296-H300 AromaticContact CD1-ND1 3.46Å; F296-H300 WeakPolarHBondContact CD1-ND1 3.42Å; F296-H300 AromaticContact CD2-CE1 3.51Å; F296-H300 AromaticContact CD2-ND1 3.81Å; F296-H300 AromaticContact CE1-CE1 3.33Å; F296-H300 WeakPolarHBondContact CE1-CE1 3.46Å; F296-H300 AromaticContact CE1-CG 3.9Å; F296-H300 AromaticContact CE1-ND1 3.41Å; F296-H300 WeakPolarHBondContact CE1-ND1 3.28Å; F296-H300 AromaticContact CE1-NE2 3.73Å; F296-H300 AromaticContact CE2-CE1 3.09Å; F296-H300 WeakPolarHBondContact CE2-CE1 3.46Å; F296-H300 AromaticContact CE2-ND1 3.79Å; F296-H300 AromaticContact CE2-NE2 3.82Å; F296-H300 AromaticContact CG-CE1 3.83Å; F296-H300 AromaticContact CG-ND1 3.67Å; F296-H300 AromaticContact CZ-CE1 2.99Å; F296-H300 WeakPolarHBondContact CZ-CE1 3.27Å; F296-H300 AromaticContact CZ-ND1 3.6Å; F296-H300 AromaticContact CZ-NE2 3.34Å; F296-H300 VanDerWaalsContact CZ-NE2 3.34Å; F296-H300 WeakPolarHBondContact CZ-NE2 3.21Å; F296-H300 WeakPolarHBondContact O-CB 3.42Å; F296-H300 PolarHBondContact O-N 3.33Å; F296-H300 PolarHBondContact O-ND1 2.81Å |
| 297 | L | 50.2 | Low | 55.3 | Low | 58 Ų | 58 | 46 Ų | 46 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.3 | -31.9 | 179.1 | -72.2 | 175.2 | 0 | 0 | 0 | 112.5 | P156 S294 Q295 G301 | P156-L297 HydrophobicContact CB-CD1 4.3Å; P156-L297 HydrophobicContact CG-CD1 3.45Å; P156-L297 VanDerWaalsContact CG-CD1 3.45Å; P156-L297 HydrophobicContact CG-CG 4.47Å; S294-L297 PolarHBondContact O-N 2.8Å; Q295-L297 VanDerWaalsContact C-N 3.3Å; Q295-L297 PolarHBondContact O-N 3.42Å; L297-G301 PolarHBondContact O-N 3.48Å |
| 298 | I | 52.7 | Low | 52.4 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.7 | -52.2 | 178.6 | -65 | -176.5 | 0 | 0 | 0 | 110.4 | I216 L251 L253 F278 V292 S294 Q295 F296 H300 G301 I302 | I216-I298 HydrophobicContact CD1-CG2 3.93Å; I216-I298 HydrophobicContact CG2-CG2 4.43Å; L251-I298 HydrophobicContact CD1-CG2 4.24Å; L253-I298 HydrophobicContact CB-CD1 4.2Å; L253-I298 HydrophobicContact CD1-CD1 3.5Å; L253-I298 HydrophobicContact CD2-CD1 3.54Å; L253-I298 HydrophobicContact CG-CD1 3.93Å; F278-I298 HydrophobicContact CE1-CB 4.44Å; F278-I298 HydrophobicContact CE1-CG1 3.96Å; F278-I298 HydrophobicContact CE2-CG2 4.2Å; F278-I298 HydrophobicContact CZ-CB 3.84Å; F278-I298 HydrophobicContact CZ-CD1 4.48Å; F278-I298 HydrophobicContact CZ-CG1 3.72Å; F278-I298 HydrophobicContact CZ-CG2 3.61Å; V292-I298 HydrophobicContact CG1-CD1 4.05Å; V292-I298 HydrophobicContact CG1-CG1 3.8Å; S294-I298 PolarHBondContact O-N 3.26Å; Q295-I298 PolarHBondContact O-N 2.8Å; Q295-I298 VanDerWaalsContact O-N 3.15Å; F296-I298 VanDerWaalsContact C-N 3.3Å; F296-I298 PolarHBondContact O-N 3.16Å; I298-H300 VanDerWaalsContact C-N 3.25Å; I298-H300 PolarHBondContact O-N 2.95Å; I298-G301 PolarHBondContact O-N 2.81Å; I298-G301 VanDerWaalsContact O-N 3.12Å; I298-I302 HydrophobicContact CG2-CD1 3.89Å; I298-I302 WeakPolarHBondContact O-CG1 3.32Å; I298-I302 PolarHBondContact O-N 2.93Å |
| 299 | A | 48.5 | Very low | 49.6 | Very low | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F207 I216 Q295 V303 | F207-A299 HydrophobicContact CD1-CB 4.48Å; F207-A299 HydrophobicContact CE1-CB 4.21Å; F207-A299 HydrophobicContact CE2-CB 4.48Å; F207-A299 HydrophobicContact CZ-CB 4.21Å; I216-A299 HydrophobicContact CD1-CB 4.3Å; Q295-A299 PolarHBondContact O-N 3.49Å; A299-V303 WeakPolarHBondContact O-CB 3.43Å; A299-V303 WeakPolarHBondContact O-CG2 3.46Å; A299-V303 PolarHBondContact O-N 3.27Å |
| 300 | H | 50.9 | Low | 47.1 | Very low | 79 Ų | 79 | 71.2 Ų | 71.2 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 176.6 | -75.4 | 73.8 | 0 | 0 | 0 | 113.1 | F296 I298 I302 S304 | F296-H300 AromaticContact CD1-CE1 3.75Å; F296-H300 AromaticContact CD1-ND1 3.46Å; F296-H300 WeakPolarHBondContact CD1-ND1 3.42Å; F296-H300 AromaticContact CD2-CE1 3.51Å; F296-H300 AromaticContact CD2-ND1 3.81Å; F296-H300 AromaticContact CE1-CE1 3.33Å; F296-H300 WeakPolarHBondContact CE1-CE1 3.46Å; F296-H300 AromaticContact CE1-CG 3.9Å; F296-H300 AromaticContact CE1-ND1 3.41Å; F296-H300 WeakPolarHBondContact CE1-ND1 3.28Å; F296-H300 AromaticContact CE1-NE2 3.73Å; F296-H300 AromaticContact CE2-CE1 3.09Å; F296-H300 WeakPolarHBondContact CE2-CE1 3.46Å; F296-H300 AromaticContact CE2-ND1 3.79Å; F296-H300 AromaticContact CE2-NE2 3.82Å; F296-H300 AromaticContact CG-CE1 3.83Å; F296-H300 AromaticContact CG-ND1 3.67Å; F296-H300 AromaticContact CZ-CE1 2.99Å; F296-H300 WeakPolarHBondContact CZ-CE1 3.27Å; F296-H300 AromaticContact CZ-ND1 3.6Å; F296-H300 AromaticContact CZ-NE2 3.34Å; F296-H300 VanDerWaalsContact CZ-NE2 3.34Å; F296-H300 WeakPolarHBondContact CZ-NE2 3.21Å; F296-H300 WeakPolarHBondContact O-CB 3.42Å; F296-H300 PolarHBondContact O-N 3.33Å; F296-H300 PolarHBondContact O-ND1 2.81Å; I298-H300 VanDerWaalsContact C-N 3.25Å; I298-H300 PolarHBondContact O-N 2.95Å; H300-I302 VanDerWaalsContact C-N 3.32Å; H300-I302 PolarHBondContact O-N 3.47Å; H300-S304 WeakPolarHBondContact O-CB 3.44Å; H300-S304 PolarHBondContact O-N 2.8Å; H300-S304 PolarHBondContact O-OG 2.58Å |
| 301 | G | 42.9 | Very low | 45 | Very low | 19 Ų | 19 | 74.7 Ų | 74.7 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L297 I298 S304 | L297-G301 PolarHBondContact O-N 3.48Å; I298-G301 PolarHBondContact O-N 2.81Å; I298-G301 VanDerWaalsContact O-N 3.12Å; G301-S304 PolarHBondContact O-OG 3.27Å; G301-S304 VanDerWaalsContact O-OG 3.07Å |
| 302 | I | 42.8 | Very low | 43.3 | Very low | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.2 | -47.4 | 179.2 | -62.5 | 171.4 | 0 | 0 | 0 | 111.5 | M209 L251 M273 A277 F278 I298 H300 S304 | M209-I302 HydrophobicContact CE-CB 4.16Å; M209-I302 HydrophobicContact CE-CG2 3.89Å; M209-I302 HydrophobicContact SD-CB 4.19Å; M209-I302 HydrophobicContact SD-CG2 3.29Å; M209-I302 WeakPolarHBondContact SD-CG2 3.19Å; L251-I302 HydrophobicContact CD1-CD1 3.33Å; M273-I302 HydrophobicContact CE-CG2 3.35Å; M273-I302 HydrophobicContact CG-CG2 3.73Å; M273-I302 HydrophobicContact SD-CG2 3.41Å; M273-I302 WeakPolarHBondContact SD-CG2 3.34Å; A277-I302 HydrophobicContact CB-CG1 3.86Å; F278-I302 HydrophobicContact CE2-CD1 4.21Å; F278-I302 HydrophobicContact CE2-CG1 4.14Å; F278-I302 HydrophobicContact CZ-CG1 4.38Å; I298-I302 HydrophobicContact CG2-CD1 3.89Å; I298-I302 WeakPolarHBondContact O-CG1 3.32Å; I298-I302 PolarHBondContact O-N 2.93Å; H300-I302 VanDerWaalsContact C-N 3.32Å; H300-I302 PolarHBondContact O-N 3.47Å; I302-S304 VanDerWaalsContact C-N 3.33Å; I302-S304 PolarHBondContact O-N 2.85Å |
| 303 | V | 39.1 | Very low | 41.4 | Very low | 55 Ų | 55 | 82.7 Ų | 82.7 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -33.5 | -179.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | M209 A299 R305 | M209-V303 HydrophobicContact CE-CG2 3.98Å; M209-V303 HydrophobicContact CG-CG2 4.36Å; M209-V303 HydrophobicContact SD-CG2 4.39Å; A299-V303 WeakPolarHBondContact O-CB 3.43Å; A299-V303 WeakPolarHBondContact O-CG2 3.46Å; A299-V303 PolarHBondContact O-N 3.27Å; V303-R305 PolarHBondContact O-N 3.22Å |
| 304 | S | 38.4 | Very low | 39.9 | Very low | 67 Ų | 67 | 88.7 Ų | 88.7 | 47% | 0.469 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -9.7 | -175.1 | 68.7 | 0 | 0 | 0 | 0 | 115.2 | H300 G301 I302 | H300-S304 WeakPolarHBondContact O-CB 3.44Å; H300-S304 PolarHBondContact O-N 2.8Å; H300-S304 PolarHBondContact O-OG 2.58Å; G301-S304 PolarHBondContact O-OG 3.27Å; G301-S304 VanDerWaalsContact O-OG 3.07Å; I302-S304 VanDerWaalsContact C-N 3.33Å; I302-S304 PolarHBondContact O-N 2.85Å |
| 305 | R | 37.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 93 Ų | 93 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -117.5 | -19.2 | -176.9 | -77.8 | -175.8 | 165.3 | -155.5 | -14.2 | 116.6 | E276 V303 E340 | E276-R305 PolarHBondContact O-NH1 2.83Å; V303-R305 PolarHBondContact O-N 3.22Å; R305-E340 IonicContact CZ-OE1 3.26Å; R305-E340 IonicContact NE-OE1 2.81Å; R305-E340 PolarHBondContact NE-OE1 3.2Å; R305-E340 IonicContact NH2-OE1 3.65Å; R305-E340 PolarHBondContact NH2-OE1 2.75Å; R305-E340 VanDerWaalsContact NH2-OE1 3.13Å |
| 306 | Q | 35.7 | Very low | 36.9 | Very low | 94 Ų | 94 | 99.6 Ų | 99.6 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -108.9 | -21.6 | -180 | -76 | -169.5 | -8.5 | 0 | 0 | 115.4 | M273 | M273-Q306 HydrophobicContact CE-CB 4.17Å; M273-Q306 HydrophobicContact CE-CG 4.3Å |
| 307 | D | 31.4 | Very low | 35.8 | Very low | 71 Ų | 71 | 101.1 Ų | 101.1 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | trans | -106 | 89.3 | -175 | -81.9 | -41.6 | 0 | 0 | 0 | 114 | ||||
| 308 | R | 29.8 | Very low | 35 | Very low | 193 Ų | 193 | 103.9 Ų | 103.9 | 73% | 0.728 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -146.1 | 24 | 153.6 | -105.5 | -157.1 | -66.6 | -151.2 | 3.3 | 115.4 | ||
| 309 | R | 25.7 | Very low | 33.9 | Very low | 222 Ų | 222 | 110.1 Ų | 110.1 | 84% | 0.838 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -142.5 | 104.1 | 174.9 | -68.1 | -170.4 | -151.6 | 164.1 | 10.4 | 111.8 | ||
| 310 | Y | 28.5 | Very low | 33 | Very low | 223 Ų | 223 | 118.9 Ų | 118.9 | 88% | 0.875 | 60% | 0.597 | S | S | * | * | trans | 70.7 | 97.8 | 162.3 | -58.1 | -82.9 | 0 | 0 | 0 | 117.7 | ||||
| 311 | E | 27.6 | Very low | 32 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | -176.1 | 149.5 | 132.8 | -101.4 | 167.7 | -164 | 0 | 0 | 108.1 | ||||
| 312 | L | 28.6 | Very low | 31.8 | Very low | 148 Ų | 148 | 123 Ų | 123 | 78% | 0.775 | 63% | 0.627 | S | S | * | * | trans | 83.2 | 90.3 | -162.7 | -52.8 | 165.9 | 0 | 0 | 0 | 113.4 | L314 | L312-L314 HydrophobicContact CB-CD1 3.97Å; L312-L314 HydrophobicContact CB-CG 4.12Å; L312-L314 HydrophobicContact CD1-CD1 4.29Å; L312-L314 PolarHBondContact O-N 2.94Å | ||
| 313 | G | 27.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 98% | 0.979 | 65% | 0.649 | S | S | * | * | trans | -65.7 | 53.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 314 | L | 30.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | trans | -84.3 | 138.3 | 172.6 | -68.9 | 168.1 | 0 | 0 | 0 | 109.3 | L312 | L312-L314 HydrophobicContact CB-CD1 3.97Å; L312-L314 HydrophobicContact CB-CG 4.12Å; L312-L314 HydrophobicContact CD1-CD1 4.29Å; L312-L314 PolarHBondContact O-N 2.94Å | ||
| 315 | P | 27.3 | Very low | 32 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -59.9 | 142.9 | 177.5 | 25.4 | -32.1 | 0 | 0 | 0 | 110.2 | I317 | P315-I317 PolarHBondContact O-N 3.22Š| ||
| 316 | I | 27.5 | Very low | 32.3 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -52.9 | 109.5 | 176.5 | -59.3 | 171.6 | 0 | 0 | 0 | 108.5 | T318 | I316-T318 HydrophobicContact CG2-CG2 3.79Å; I316-T318 PolarHBondContact O-N 2.91Å | ||
| 317 | I | 29.3 | Very low | 32.9 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 67% | 0.667 | 66% | 0.656 | S | S | * | * | trans | -76 | 102.8 | 165 | -60.2 | 179.3 | 0 | 0 | 0 | 105.9 | P315 D319 | P315-I317 PolarHBondContact O-N 3.22Å; I317-D319 WeakPolarHBondContact CG2-O 3.44Å; I317-D319 PolarHBondContact O-N 3.19Å | ||
| 318 | T | 32 | Very low | 33.9 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 71% | 0.712 | 66% | 0.663 | S | S | * | * | trans | -76.9 | -8.5 | 175.7 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | I316 | I316-T318 HydrophobicContact CG2-CG2 3.79Å; I316-T318 PolarHBondContact O-N 2.91Å | ||
| 319 | D | 30 | Very low | 34.6 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | trans | -124.2 | 82.7 | -175.1 | -64.2 | -39.7 | 0 | 0 | 0 | 110.5 | I317 | I317-D319 WeakPolarHBondContact CG2-O 3.44Å; I317-D319 PolarHBondContact O-N 3.19Å | ||
| 320 | Y | 29 | Very low | 35.7 | Very low | 187 Ų | 187 | 114.3 Ų | 114.3 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | trans | -80.2 | 135.6 | 154.1 | -116.8 | -93.1 | 0 | 0 | 0 | 107 | T322 | Y320-T322 PolarHBondContact O-N 3.32Å; Y320-T322 PolarHBondContact O-OG1 2.97Å | ||
| 321 | P | 30.6 | Very low | 37 | Very low | 127 Ų | 127 | 110.7 Ų | 110.7 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | trans | -73.1 | 69 | 169.9 | 30.9 | -31.1 | 0 | 0 | 0 | 108.7 | S323 | P321-S323 PolarHBondContact O-N 3.27Š| ||
| 322 | T | 37.5 | Very low | 38 | Very low | 59 Ų | 59 | 110.8 Ų | 110.8 | 36% | 0.362 | 61% | 0.612 | S | S | . | * | trans | -64.9 | 122.8 | 157.3 | 36.3 | 0 | 0 | 0 | 0 | 106.6 | Y320 G324 V326 | Y320-T322 PolarHBondContact O-N 3.32Å; Y320-T322 PolarHBondContact O-OG1 2.97Å; T322-G324 PolarHBondContact O-N 3.14Å; T322-V326 HydrophobicContact CG2-CB 4.3Å; T322-V326 HydrophobicContact CG2-CG1 4.02Å | ||
| 323 | S | 43.4 | Very low | 39.1 | Very low | 69 Ų | 69 | 105.7 Ų | 105.7 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | trans | -46 | 140.6 | 170.8 | 67.3 | 0 | 0 | 0 | 0 | 109.4 | P321 L325 V326 | P321-S323 PolarHBondContact O-N 3.27Å; S323-L325 PolarHBondContact O-N 2.59Å; S323-V326 PolarHBondContact O-N 3.08Å | ||
| 324 | G | 41.1 | Very low | 40 | Very low | 54 Ų | 54 | 108.9 Ų | 108.9 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -54.8 | -11.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T322 H328 | T322-G324 PolarHBondContact O-N 3.14Å; G324-H328 WeakPolarHBondContact O-CB 3.35Å; G324-H328 PolarHBondContact O-N 3.36Å; G324-H328 VanDerWaalsContact O-N 3.14Å |
| 325 | L | 41.7 | Very low | 40.6 | Very low | 114 Ų | 114 | 109.7 Ų | 109.7 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.2 | -38.5 | 169.7 | -84 | 156.5 | 0 | 0 | 0 | 114.3 | S323 F329 | S323-L325 PolarHBondContact O-N 2.59Å; L325-F329 WeakPolarHBondContact O-CB 3.36Å; L325-F329 PolarHBondContact O-N 2.9Å |
| 326 | V | 44.1 | Very low | 41.6 | Very low | 33 Ų | 33 | 114 Ų | 114 | 20% | 0.2 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -75.4 | -43.6 | -178.5 | 176 | 0 | 0 | 0 | 0 | 110.3 | T322 S323 F329 I330 | T322-V326 HydrophobicContact CG2-CB 4.3Å; T322-V326 HydrophobicContact CG2-CG1 4.02Å; S323-V326 PolarHBondContact O-N 3.08Å; V326-F329 PolarHBondContact O-N 3Å; V326-I330 HydrophobicContact CG1-CD1 4.03Å; V326-I330 WeakPolarHBondContact O-CG1 3.38Å; V326-I330 PolarHBondContact O-N 3.49Å; V326-I330 VanDerWaalsContact O-N 3.1Å |
| 327 | E | 48 | Very low | 42.8 | Very low | 100 Ų | 100 | 110.7 Ų | 110.7 | 47% | 0.467 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.6 | -44.5 | 174.2 | -72 | -176.6 | 145.4 | 0 | 0 | 112.3 | F329 I330 Q331 | E327-F329 PolarHBondContact O-N 3.04Å; E327-I330 PolarHBondContact O-N 3.48Å; E327-Q331 WeakPolarHBondContact O-CB 3.48Å; E327-Q331 VanDerWaalsContact O-CG 3.26Å; E327-Q331 WeakPolarHBondContact O-CG 3.2Å; E327-Q331 PolarHBondContact O-N 3.14Å |
| 328 | H | 51.3 | Low | 43.7 | Very low | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -30.2 | 178.2 | -169.8 | 78.5 | 0 | 0 | 0 | 112.5 | G324 K332 | G324-H328 WeakPolarHBondContact O-CB 3.35Å; G324-H328 PolarHBondContact O-N 3.36Å; G324-H328 VanDerWaalsContact O-N 3.14Å; H328-K332 VanDerWaalsContact O-CB 3.22Å; H328-K332 WeakPolarHBondContact O-CB 3.45Å; H328-K332 PolarHBondContact O-N 3.5Å |
| 329 | F | 45 | Very low | 44.4 | Very low | 71 Ų | 71 | 102.5 Ų | 102.5 | 31% | 0.311 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -79.2 | -41.1 | 179.8 | -175.8 | -100.2 | 0 | 0 | 0 | 113 | L325 V326 E327 Q331 K332 T333 Y337 | L325-F329 WeakPolarHBondContact O-CB 3.36Å; L325-F329 PolarHBondContact O-N 2.9Å; V326-F329 PolarHBondContact O-N 3Å; E327-F329 PolarHBondContact O-N 3.04Å; F329-Q331 VanDerWaalsContact C-N 3.31Å; F329-Q331 PolarHBondContact O-N 3.5Å; F329-K332 PolarHBondContact O-N 3.46Å; F329-T333 HydrophobicContact CD2-CG2 4.26Å; F329-T333 HydrophobicContact CE1-CG2 4.17Å; F329-T333 HydrophobicContact CE2-CG2 3.83Å; F329-T333 HydrophobicContact CZ-CG2 3.79Å; F329-T333 PolarHBondContact O-N 3.18Å; F329-T333 VanDerWaalsContact O-N 3.14Å; F329-T333 PolarHBondContact O-OG1 3.33Å; F329-Y337 HydrophobicContact CE1-CE2 4.08Å |
| 330 | I | 48.4 | Very low | 45 | Very low | 83 Ų | 83 | 100.3 Ų | 100.3 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 173.4 | -67.1 | 169.2 | 0 | 0 | 0 | 109.6 | V326 E327 K332 | V326-I330 HydrophobicContact CG1-CD1 4.03Å; V326-I330 WeakPolarHBondContact O-CG1 3.38Å; V326-I330 PolarHBondContact O-N 3.49Å; V326-I330 VanDerWaalsContact O-N 3.1Å; E327-I330 PolarHBondContact O-N 3.48Å; I330-K332 VanDerWaalsContact C-N 3.3Å; I330-K332 PolarHBondContact O-N 3.31Å |
| 331 | Q | 55.6 | Low | 45.8 | Very low | 146 Ų | 146 | 95.2 Ų | 95.2 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -29.3 | 177 | -72.8 | 175.9 | 1.8 | 0 | 0 | 113.8 | E327 F329 | E327-Q331 WeakPolarHBondContact O-CB 3.48Å; E327-Q331 VanDerWaalsContact O-CG 3.26Å; E327-Q331 WeakPolarHBondContact O-CG 3.2Å; E327-Q331 PolarHBondContact O-N 3.14Å; F329-Q331 VanDerWaalsContact C-N 3.31Å; F329-Q331 PolarHBondContact O-N 3.5Å |
| 332 | K | 50.3 | Low | 46.6 | Very low | 160 Ų | 160 | 92.1 Ų | 92.1 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -89.7 | -20.2 | -175 | -161.1 | 174.8 | -171.6 | 173.2 | 0 | 114.1 | H328 F329 I330 | H328-K332 VanDerWaalsContact O-CB 3.22Å; H328-K332 WeakPolarHBondContact O-CB 3.45Å; H328-K332 PolarHBondContact O-N 3.5Å; F329-K332 PolarHBondContact O-N 3.46Å; I330-K332 VanDerWaalsContact C-N 3.3Å; I330-K332 PolarHBondContact O-N 3.31Å |
| 333 | T | 49.9 | Very low | 47.2 | Very low | 41 Ų | 41 | 93.3 Ų | 93.3 | 25% | 0.252 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -102.5 | -12.2 | -174.2 | 53 | 0 | 0 | 0 | 0 | 114.6 | F329 K335 Y337 | F329-T333 HydrophobicContact CD2-CG2 4.26Å; F329-T333 HydrophobicContact CE1-CG2 4.17Å; F329-T333 HydrophobicContact CE2-CG2 3.83Å; F329-T333 HydrophobicContact CZ-CG2 3.79Å; F329-T333 PolarHBondContact O-N 3.18Å; F329-T333 VanDerWaalsContact O-N 3.14Å; F329-T333 PolarHBondContact O-OG1 3.33Å; T333-K335 WeakPolarHBondContact O-CG 3.33Å; T333-K335 PolarHBondContact O-N 3.3Å; T333-Y337 WeakPolarHBondContact OG1-CE2 3.34Å |
| 334 | N | 46.6 | Very low | 47.3 | Very low | 162 Ų | 162 | 93.9 Ų | 93.9 | 87% | 0.866 | 48% | 0.481 | S | S | * | . | trans | 49.4 | 32.9 | 177.7 | -108.4 | 10 | 0 | 0 | 0 | 113.3 | ||||
| 335 | K | 44.8 | Very low | 47.7 | Very low | 145 Ų | 145 | 94.8 Ų | 94.8 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | trans | -126.6 | 136.8 | -177.2 | -79.4 | -176.4 | 177.9 | -170.8 | 0 | 110.4 | T333 Y337 | T333-K335 WeakPolarHBondContact O-CG 3.33Å; T333-K335 PolarHBondContact O-N 3.3Å; K335-Y337 HydrophobicContact CB-CE2 4Å; K335-Y337 WeakPolarHBondContact O-CD2 3.36Å | ||
| 336 | E | 48.4 | Very low | 48 | Very low | 200 Ų | 200 | 93.5 Ų | 93.5 | 94% | 0.935 | 46% | 0.461 | S | S | * | . | trans | -73.2 | 129.5 | 165.2 | -68.4 | -179.4 | 167.8 | 0 | 0 | 108.7 | ||||
| 337 | Y | 52 | Low | 48.2 | Very low | 83 Ų | 83 | 99.9 Ų | 99.9 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -114.7 | 137.9 | 173.7 | -68.1 | -81.4 | 0 | 0 | 0 | 108.8 | F329 T333 K335 D341 | F329-Y337 HydrophobicContact CE1-CE2 4.08Å; T333-Y337 WeakPolarHBondContact OG1-CE2 3.34Å; K335-Y337 HydrophobicContact CB-CE2 4Å; K335-Y337 WeakPolarHBondContact O-CD2 3.36Å; Y337-D341 HydrophobicContact CD1-CB 3.93Å; Y337-D341 HydrophobicContact CG-CB 4.46Å | ||
| 338 | S | 48.3 | Very low | 48 | Very low | 43 Ų | 43 | 97.8 Ų | 97.8 | 30% | 0.301 | 47% | 0.473 | S | S | . | . | trans | -71 | 168.3 | 169.5 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | E340 D341 L342 | S338-E340 PolarHBondContact O-N 3.42Å; S338-D341 WeakPolarHBondContact CB-OD2 3.18Å; S338-D341 PolarHBondContact N-OD2 3.46Å; S338-D341 PolarHBondContact O-N 2.65Å; S338-D341 PolarHBondContact OG-N 3.05Å; S338-D341 PolarHBondContact OG-OD2 2.82Å; S338-L342 PolarHBondContact O-N 3.14Å | ||
| 339 | A | 45.9 | Very low | 47.5 | Very low | 31 Ų | 31 | 96.3 Ų | 96.3 | 26% | 0.256 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.4 | -32 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L342 L343 | A339-L342 CarbonylContact O-C 3.59Å; A339-L342 PolarHBondContact O-N 3.31Å; A339-L343 WeakPolarHBondContact O-CB 3.36Å; A339-L343 PolarHBondContact O-N 2.91Å |
| 340 | E | 43.9 | Very low | 47.3 | Very low | 84 Ų | 84 | 99.4 Ų | 99.4 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 172.9 | -65.9 | -179.8 | 149.5 | 0 | 0 | 110.7 | R305 S338 L342 L343 V344 | R305-E340 IonicContact CZ-OE1 3.26Å; R305-E340 IonicContact NE-OE1 2.81Å; R305-E340 PolarHBondContact NE-OE1 3.2Å; R305-E340 IonicContact NH2-OE1 3.65Å; R305-E340 PolarHBondContact NH2-OE1 2.75Å; R305-E340 VanDerWaalsContact NH2-OE1 3.13Å; S338-E340 PolarHBondContact O-N 3.42Å; E340-L342 VanDerWaalsContact C-N 3.32Å; E340-L342 PolarHBondContact O-N 3.33Å; E340-L343 PolarHBondContact O-N 3.43Å; E340-V344 VanDerWaalsContact O-CB 3.31Å; E340-V344 WeakPolarHBondContact O-CB 3.45Å; E340-V344 VanDerWaalsContact O-CG2 3.25Å; E340-V344 WeakPolarHBondContact O-CG2 3.44Å; E340-V344 PolarHBondContact O-N 3.35Å |
| 341 | D | 46 | Very low | 46.7 | Very low | 81 Ų | 81 | 96.1 Ų | 96.1 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.5 | -65.3 | -51.2 | 0 | 0 | 0 | 111.6 | Y337 S338 W345 | Y337-D341 HydrophobicContact CD1-CB 3.93Å; Y337-D341 HydrophobicContact CG-CB 4.46Å; S338-D341 WeakPolarHBondContact CB-OD2 3.18Å; S338-D341 PolarHBondContact N-OD2 3.46Å; S338-D341 PolarHBondContact O-N 2.65Å; S338-D341 PolarHBondContact OG-N 3.05Å; S338-D341 PolarHBondContact OG-OD2 2.82Å; D341-W345 WeakPolarHBondContact O-CB 3.37Å; D341-W345 PolarHBondContact O-N 3Å |
| 342 | L | 47 | Very low | 45.9 | Very low | 61 Ų | 61 | 94.6 Ų | 94.6 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 175.9 | -83.1 | 159.1 | 0 | 0 | 0 | 112.5 | S338 A339 E340 W345 L346 | S338-L342 PolarHBondContact O-N 3.14Å; A339-L342 CarbonylContact O-C 3.59Å; A339-L342 PolarHBondContact O-N 3.31Å; E340-L342 VanDerWaalsContact C-N 3.32Å; E340-L342 PolarHBondContact O-N 3.33Å; L342-W345 CarbonylContact O-C 3.44Å; L342-L346 WeakPolarHBondContact O-CA 3.26Å; L342-L346 WeakPolarHBondContact O-CB 3.33Å; L342-L346 WeakPolarHBondContact O-CD1 3.42Å; L342-L346 WeakPolarHBondContact O-CG 3.18Å; L342-L346 PolarHBondContact O-N 3.15Å |
| 343 | L | 49.1 | Very low | 45.4 | Very low | 85 Ų | 85 | 91.6 Ų | 91.6 | 45% | 0.445 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.8 | -41.8 | 177.1 | -104.9 | 148.1 | 0 | 0 | 0 | 112.2 | A339 E340 W345 L346 R347 | A339-L343 WeakPolarHBondContact O-CB 3.36Å; A339-L343 PolarHBondContact O-N 2.91Å; E340-L343 PolarHBondContact O-N 3.43Å; L343-W345 VanDerWaalsContact C-N 3.31Å; L343-L346 PolarHBondContact O-N 3.17Å; L343-R347 WeakPolarHBondContact O-CB 3.14Å; L343-R347 VanDerWaalsContact O-CG 3.29Å; L343-R347 WeakPolarHBondContact O-CG 3.01Å; L343-R347 PolarHBondContact O-N 3.05Å |
| 344 | V | 46.8 | Very low | 45.5 | Very low | 81 Ų | 81 | 95 Ų | 95 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 170.4 | 171 | 0 | 0 | 0 | 0 | 109 | E340 L346 R347 I348 | E340-V344 VanDerWaalsContact O-CB 3.31Å; E340-V344 WeakPolarHBondContact O-CB 3.45Å; E340-V344 VanDerWaalsContact O-CG2 3.25Å; E340-V344 WeakPolarHBondContact O-CG2 3.44Å; E340-V344 PolarHBondContact O-N 3.35Å; V344-L346 PolarHBondContact O-N 3.16Å; V344-R347 PolarHBondContact O-N 3.36Å; V344-I348 HydrophobicContact CG1-CD1 3.57Å; V344-I348 HydrophobicContact CG1-CG1 4.35Å; V344-I348 VanDerWaalsContact O-CB 3.29Å; V344-I348 WeakPolarHBondContact O-CB 3.37Å; V344-I348 WeakPolarHBondContact O-CD1 3.32Å; V344-I348 WeakPolarHBondContact O-CG1 3.49Å; V344-I348 PolarHBondContact O-N 3.2Å |
| 345 | W | 49.8 | Very low | 45.8 | Very low | 73 Ų | 73 | 89.3 Ų | 89.3 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 173.9 | -172 | 92.8 | 0 | 0 | 0 | 112.4 | D341 L342 L343 I348 Y349 | D341-W345 WeakPolarHBondContact O-CB 3.37Å; D341-W345 PolarHBondContact O-N 3Å; L342-W345 CarbonylContact O-C 3.44Å; L343-W345 VanDerWaalsContact C-N 3.31Å; W345-I348 CarbonylContact O-C 3.44Å; W345-I348 PolarHBondContact O-N 3.06Å; W345-Y349 HydrophobicContact CE3-CG 4.33Å; W345-Y349 HydrophobicContact CH2-CD1 4.39Å; W345-Y349 AromaticContact CH2-CD2 3.44Å; W345-Y349 HydrophobicContact CH2-CD2 3.44Å; W345-Y349 VanDerWaalsContact CH2-CD2 3.44Å; W345-Y349 AromaticContact CH2-CE2 3.85Å; W345-Y349 HydrophobicContact CH2-CE2 3.85Å; W345-Y349 AromaticContact CH2-CG 3.75Å; W345-Y349 HydrophobicContact CH2-CG 3.75Å; W345-Y349 AromaticContact CZ2-CD2 3.67Å; W345-Y349 HydrophobicContact CZ2-CD2 3.67Å; W345-Y349 HydrophobicContact CZ2-CE2 4.23Å; W345-Y349 HydrophobicContact CZ2-CG 4.26Å; W345-Y349 HydrophobicContact CZ3-CD1 4.26Å; W345-Y349 AromaticContact CZ3-CD2 3.99Å; W345-Y349 HydrophobicContact CZ3-CD2 3.99Å; W345-Y349 AromaticContact CZ3-CG 3.79Å; W345-Y349 HydrophobicContact CZ3-CG 3.79Å; W345-Y349 WeakPolarHBondContact O-CA 3.42Å; W345-Y349 WeakPolarHBondContact O-CB 3.1Å; W345-Y349 PolarHBondContact O-N 3.3Å |
| 346 | L | 46.9 | Very low | 46.6 | Very low | 86 Ų | 86 | 84.3 Ų | 84.3 | 45% | 0.45 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 175.4 | -82.1 | 165.1 | 0 | 0 | 0 | 110.9 | L342 L343 V344 Y349 Y350 | L342-L346 WeakPolarHBondContact O-CA 3.26Å; L342-L346 WeakPolarHBondContact O-CB 3.33Å; L342-L346 WeakPolarHBondContact O-CD1 3.42Å; L342-L346 WeakPolarHBondContact O-CG 3.18Å; L342-L346 PolarHBondContact O-N 3.15Å; L343-L346 PolarHBondContact O-N 3.17Å; V344-L346 PolarHBondContact O-N 3.16Å; L346-Y349 PolarHBondContact O-N 3.33Å; L346-Y350 WeakPolarHBondContact O-CB 3.33Å; L346-Y350 PolarHBondContact O-N 2.83Å |
| 347 | R | 49.2 | Very low | 47.2 | Very low | 168 Ų | 168 | 75.8 Ų | 75.8 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 172.8 | -73.6 | 175.6 | -179.3 | -171 | -0.9 | 111.2 | L343 V344 A351 | L343-R347 WeakPolarHBondContact O-CB 3.14Å; L343-R347 VanDerWaalsContact O-CG 3.29Å; L343-R347 WeakPolarHBondContact O-CG 3.01Å; L343-R347 PolarHBondContact O-N 3.05Å; V344-R347 PolarHBondContact O-N 3.36Å; R347-A351 VanDerWaalsContact O-CB 3.3Å; R347-A351 WeakPolarHBondContact O-CB 3.27Å; R347-A351 PolarHBondContact O-N 3.08Å |
| 348 | I | 42.6 | Very low | 47.8 | Very low | 55 Ų | 55 | 78.1 Ų | 78.1 | 28% | 0.282 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 174.6 | -67.2 | 166.8 | 0 | 0 | 0 | 111.1 | V344 W345 K352 E417 | V344-I348 HydrophobicContact CG1-CD1 3.57Å; V344-I348 HydrophobicContact CG1-CG1 4.35Å; V344-I348 VanDerWaalsContact O-CB 3.29Å; V344-I348 WeakPolarHBondContact O-CB 3.37Å; V344-I348 WeakPolarHBondContact O-CD1 3.32Å; V344-I348 WeakPolarHBondContact O-CG1 3.49Å; V344-I348 PolarHBondContact O-N 3.2Å; W345-I348 CarbonylContact O-C 3.44Å; W345-I348 PolarHBondContact O-N 3.06Å; I348-K352 VanDerWaalsContact O-CB 3.31Å; I348-K352 WeakPolarHBondContact O-CB 3.25Å; I348-K352 PolarHBondContact O-N 2.67Å; I348-E417 HydrophobicContact CG2-CG 4.49Å |
| 349 | Y | 40.7 | Very low | 48.6 | Very low | 83 Ų | 83 | 78.6 Ų | 78.6 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -76 | -41.6 | -179.5 | -175.7 | -97.8 | 0 | 0 | 0 | 110.8 | W345 L346 A351 K352 V353 | W345-Y349 HydrophobicContact CE3-CG 4.33Å; W345-Y349 HydrophobicContact CH2-CD1 4.39Å; W345-Y349 AromaticContact CH2-CD2 3.44Å; W345-Y349 HydrophobicContact CH2-CD2 3.44Å; W345-Y349 VanDerWaalsContact CH2-CD2 3.44Å; W345-Y349 AromaticContact CH2-CE2 3.85Å; W345-Y349 HydrophobicContact CH2-CE2 3.85Å; W345-Y349 AromaticContact CH2-CG 3.75Å; W345-Y349 HydrophobicContact CH2-CG 3.75Å; W345-Y349 AromaticContact CZ2-CD2 3.67Å; W345-Y349 HydrophobicContact CZ2-CD2 3.67Å; W345-Y349 HydrophobicContact CZ2-CE2 4.23Å; W345-Y349 HydrophobicContact CZ2-CG 4.26Å; W345-Y349 HydrophobicContact CZ3-CD1 4.26Å; W345-Y349 AromaticContact CZ3-CD2 3.99Å; W345-Y349 HydrophobicContact CZ3-CD2 3.99Å; W345-Y349 AromaticContact CZ3-CG 3.79Å; W345-Y349 HydrophobicContact CZ3-CG 3.79Å; W345-Y349 WeakPolarHBondContact O-CA 3.42Å; W345-Y349 WeakPolarHBondContact O-CB 3.1Å; W345-Y349 PolarHBondContact O-N 3.3Å; L346-Y349 PolarHBondContact O-N 3.33Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 2.66Å; Y349-K352 CarbonylContact O-C 3.52Å; Y349-K352 WeakPolarHBondContact O-CA 3.3Å; Y349-K352 WeakPolarHBondContact O-CB 3.37Å; Y349-K352 PolarHBondContact O-N 3.45Å; Y349-V353 HydrophobicContact CD1-CG2 3.94Å; Y349-V353 HydrophobicContact CD2-CG2 4.37Å; Y349-V353 HydrophobicContact CE1-CG2 3.52Å; Y349-V353 HydrophobicContact CE2-CG2 3.99Å; Y349-V353 HydrophobicContact CG-CG2 4.35Å; Y349-V353 WeakPolarHBondContact O-CB 3.5Å; Y349-V353 WeakPolarHBondContact O-CG2 3.38Å; Y349-V353 PolarHBondContact O-N 3.33Å |
| 350 | Y | 41.4 | Very low | 50 | Low | 136 Ų | 136 | 81.7 Ų | 81.7 | 53% | 0.533 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 170.9 | -136.9 | -89.2 | 0 | 0 | 0 | 109.6 | L346 R354 | L346-Y350 WeakPolarHBondContact O-CB 3.33Å; L346-Y350 PolarHBondContact O-N 2.83Å; Y350-R354 WeakPolarHBondContact O-CB 3.39Å; Y350-R354 PolarHBondContact O-N 2.82Å |
| 351 | A | 36.7 | Very low | 52 | Low | 15 Ų | 15 | 78.2 Ų | 78.2 | 12% | 0.124 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R347 Y349 V353 R354 Y355 E417 | R347-A351 VanDerWaalsContact O-CB 3.3Å; R347-A351 WeakPolarHBondContact O-CB 3.27Å; R347-A351 PolarHBondContact O-N 3.08Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 2.66Å; A351-V353 PolarHBondContact O-N 2.68Å; A351-R354 PolarHBondContact O-N 3.02Å; A351-Y355 HydrophobicContact CB-CD2 3.88Å; A351-Y355 HydrophobicContact CB-CE2 4.08Å; A351-Y355 VanDerWaalsContact O-CB 3.24Å; A351-Y355 WeakPolarHBondContact O-CB 3.47Å; A351-Y355 WeakPolarHBondContact O-CD2 3.29Å; A351-Y355 PolarHBondContact O-N 2.92Å; A351-E417 WeakPolarHBondContact CB-OE2 3.36Å |
| 352 | K | 37.4 | Very low | 54.1 | Low | 114 Ų | 114 | 79.4 Ų | 79.4 | 50% | 0.496 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 179.9 | -119.2 | 177.6 | 179.4 | 175.5 | 0 | 113.8 | I348 Y349 F356 | I348-K352 VanDerWaalsContact O-CB 3.31Å; I348-K352 WeakPolarHBondContact O-CB 3.25Å; I348-K352 PolarHBondContact O-N 2.67Å; Y349-K352 CarbonylContact O-C 3.52Å; Y349-K352 WeakPolarHBondContact O-CA 3.3Å; Y349-K352 WeakPolarHBondContact O-CB 3.37Å; Y349-K352 PolarHBondContact O-N 3.45Å; K352-F356 HydrophobicContact CG-CD2 4.28Å |
| 353 | V | 41.2 | Very low | 56.1 | Low | 96 Ų | 96 | 81.3 Ų | 81.3 | 58% | 0.582 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -77.2 | -30.9 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | Y349 A351 | Y349-V353 HydrophobicContact CD1-CG2 3.94Å; Y349-V353 HydrophobicContact CD2-CG2 4.37Å; Y349-V353 HydrophobicContact CE1-CG2 3.52Å; Y349-V353 HydrophobicContact CE2-CG2 3.99Å; Y349-V353 HydrophobicContact CG-CG2 4.35Å; Y349-V353 WeakPolarHBondContact O-CB 3.5Å; Y349-V353 WeakPolarHBondContact O-CG2 3.38Å; Y349-V353 PolarHBondContact O-N 3.33Å; A351-V353 PolarHBondContact O-N 2.68Å |
| 354 | R | 50.9 | Low | 58.1 | Low | 112 Ų | 112 | 80.7 Ų | 80.7 | 42% | 0.423 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -89.7 | -17.2 | -176 | -151.1 | 173 | -165.7 | 168.5 | 9.1 | 114.2 | Y350 A351 | Y350-R354 WeakPolarHBondContact O-CB 3.39Å; Y350-R354 PolarHBondContact O-N 2.82Å; A351-R354 PolarHBondContact O-N 3.02Å |
| 355 | Y | 53.4 | Low | 60.2 | Low | 44 Ų | 44 | 86.4 Ų | 86.4 | 17% | 0.173 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -119.5 | -13 | -171.5 | -64.8 | -56 | 0 | 0 | 0 | 117.8 | A351 R402 | A351-Y355 HydrophobicContact CB-CD2 3.88Å; A351-Y355 HydrophobicContact CB-CE2 4.08Å; A351-Y355 VanDerWaalsContact O-CB 3.24Å; A351-Y355 WeakPolarHBondContact O-CB 3.47Å; A351-Y355 WeakPolarHBondContact O-CD2 3.29Å; A351-Y355 PolarHBondContact O-N 2.92Å; Y355-R402 VanDerWaalsContact CB-CZ 3.45Å; Y355-R402 VanDerWaalsContact CG-NH1 3.3Å |
| 356 | F | 61.7 | Low | 62.1 | Low | 39 Ų | 39 | 86.5 Ų | 86.5 | 17% | 0.171 | 44% | 0.442 | C | S | . | . | trans | -116.5 | 105 | 178.7 | -62.2 | -63.8 | 0 | 0 | 0 | 110.8 | K352 R402 E403 | K352-F356 HydrophobicContact CG-CD2 4.28Å; F356-R402 HydrophobicContact CD1-CG 4.4Å; F356-R402 VanDerWaalsContact CD1-O 3.29Å; F356-R402 WeakPolarHBondContact CD1-O 3.39Å; F356-R402 HydrophobicContact CE1-CG 4.02Å; F356-E403 WeakPolarHBondContact CE1-O 3.47Å | ||
| 357 | G | 60 | Low | 64.4 | Low | 22 Ų | 22 | 82.9 Ų | 82.9 | 23% | 0.227 | 42% | 0.423 | C | S | . | . | trans | -62.6 | 137.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E395 K401 | G357-E395 VanDerWaalsContact CA-OE1 3.28Å; G357-E395 WeakPolarHBondContact CA-OE1 3.44Å; G357-E395 PolarHBondContact N-OE1 3.15Å; G357-K401 VanDerWaalsContact O-CE 3.23Å; G357-K401 WeakPolarHBondContact O-CE 3.38Å; G357-K401 PolarHBondContact O-NZ 2.72Å | ||
| 358 | P | 64 | Low | 66.5 | Low | 131 Ų | 131 | 79.2 Ų | 79.2 | 85% | 0.851 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -66.2 | 159.1 | 170.9 | 27.5 | -32.5 | 0 | 0 | 0 | 111.4 | ||
| 359 | G | 65.9 | Low | 69 | Low | 53 Ų | 53 | 78.4 Ų | 78.4 | 55% | 0.546 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 90.4 | -167.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | K401 | G359-K401 PolarHBondContact O-NZ 3.3Š|
| 360 | T | 75.8 | Confident | 71.6 | Confident | 96 Ų | 96 | 75.3 Ų | 75.3 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | trans | -117.1 | 157.2 | 171.6 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | T423 D425 | T360-T423 HydrophobicContact CG2-CG2 4.17Å; T360-D425 WeakPolarHBondContact CA-OD2 3.3Å; T360-D425 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 361 | L | 86.5 | Confident | 74 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | trans | -69 | 147.2 | 179.5 | -57.7 | 179.9 | 0 | 0 | 0 | 111.5 | K363 Y369 E395 N398 K401 D425 | L361-K363 PolarHBondContact O-N 2.83Å; L361-Y369 HydrophobicContact CB-CE1 4.46Å; L361-Y369 HydrophobicContact CD1-CE1 4.08Å; L361-E395 HydrophobicContact CD2-CG 4.21Å; L361-N398 HydrophobicContact CB-CB 4.34Å; L361-K401 HydrophobicContact CD1-CB 4.11Å; L361-K401 HydrophobicContact CD2-CB 4.16Å; L361-K401 HydrophobicContact CD2-CD 4.49Å; L361-K401 HydrophobicContact CG-CB 4.16Å; L361-D425 WeakPolarHBondContact CB-OD1 3.42Å; L361-D425 HydrophobicContact CD1-CB 4.04Å; L361-D425 VanDerWaalsContact CD1-O 3.27Å; L361-D425 WeakPolarHBondContact CD1-O 3.42Å; L361-D425 HydrophobicContact CG-CB 4.01Å; L361-D425 PolarHBondContact N-OD1 3.2Å | ||
| 362 | V | 89.2 | Confident | 76.9 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 65% | 0.648 | 39% | 0.392 | S | S | * | . | trans | -76.3 | 108.7 | 168.8 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | Q364 N398 | V362-Q364 PolarHBondContact O-N 2.87Å; V362-N398 PolarHBondContact N-OD1 3.3Å; V362-N398 VanDerWaalsContact O-CB 3.3Å; V362-N398 WeakPolarHBondContact O-CB 3.48Å | ||
| 363 | K | 89.8 | Confident | 79.7 | Confident | 100 Ų | 100 | 67.5 Ų | 67.5 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | trans | -65.1 | 125.4 | -171.4 | -54.7 | -60 | -172.1 | -177.8 | 0 | 112.7 | L361 Y369 N424 D425 | L361-K363 PolarHBondContact O-N 2.83Å; K363-Y369 HydrophobicContact CB-CD2 4.3Å; K363-Y369 HydrophobicContact CB-CE2 3.89Å; K363-Y369 HydrophobicContact CD-CD1 3.79Å; K363-Y369 HydrophobicContact CD-CD2 3.69Å; K363-Y369 HydrophobicContact CD-CE1 3.89Å; K363-Y369 HydrophobicContact CD-CE2 3.78Å; K363-Y369 HydrophobicContact CD-CG 3.68Å; K363-Y369 HydrophobicContact CG-CE2 4.43Å; K363-N424 PolarHBondContact NZ-O 2.79Å; K363-D425 IonicContact NZ-OD1 2.81Å; K363-D425 PolarHBondContact NZ-OD1 2.78Å | ||
| 364 | Q | 90.4 | Very high | 82.5 | Confident | 73 Ų | 73 | 63 Ų | 63 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | trans | -96.8 | 147.8 | 174.9 | -59.8 | -176.9 | 17.5 | 0 | 0 | 112.9 | V362 S366 V367 Y369 E397 | V362-Q364 PolarHBondContact O-N 2.87Å; Q364-S366 VanDerWaalsContact C-N 3.34Å; Q364-S366 PolarHBondContact O-N 2.78Å; Q364-V367 HydrophobicContact CB-CB 4.29Å; Q364-V367 HydrophobicContact CB-CG2 4Å; Q364-V367 PolarHBondContact O-N 3.08Å; Q364-Y369 VanDerWaalsContact N-CE2 3.35Å; Q364-Y369 PolarHBondContact N-OH 2.86Å; Q364-E397 PolarHBondContact NE2-O 2.77Å | ||
| 365 | K | 90 | Very high | 84.7 | Confident | 201 Ų | 201 | 57.6 Ų | 57.6 | 87% | 0.874 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31.8 | -179.4 | -70.9 | -175.6 | 178.8 | 178.8 | 0 | 113.8 | V367 | K365-V367 VanDerWaalsContact C-N 3.34Š|
| 366 | S | 91.4 | Very high | 86.8 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -16.3 | -178.8 | 43.3 | 0 | 0 | 0 | 0 | 113.7 | Q364 K612 | Q364-S366 VanDerWaalsContact C-N 3.34Å; Q364-S366 PolarHBondContact O-N 2.78Å; S366-K612 PolarHBondContact O-N 2.74Å; S366-K612 VanDerWaalsContact O-N 3.11Å |
| 367 | V | 93.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 129.5 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | Q364 K365 Y369 V399 W610 | Q364-V367 HydrophobicContact CB-CB 4.29Å; Q364-V367 HydrophobicContact CB-CG2 4Å; Q364-V367 PolarHBondContact O-N 3.08Å; K365-V367 VanDerWaalsContact C-N 3.34Å; V367-Y369 HydrophobicContact CB-CD2 4.3Å; V367-Y369 HydrophobicContact CB-CE2 3.63Å; V367-Y369 HydrophobicContact CG1-CD1 4.23Å; V367-Y369 HydrophobicContact CG1-CD2 4.14Å; V367-Y369 HydrophobicContact CG1-CE1 3.83Å; V367-Y369 HydrophobicContact CG1-CE2 3.73Å; V367-Y369 HydrophobicContact CG1-CG 4.38Å; V367-Y369 WeakPolarHBondContact O-CD2 3.43Å; V367-V399 HydrophobicContact CG1-CG1 4.27Å; V367-V399 HydrophobicContact CG2-CG2 4.42Å; V367-W610 CarbonylContact C-O 3.59Å; V367-W610 WeakPolarHBondContact CA-O 3.47Å; V367-W610 HydrophobicContact CG1-CB 4.19Å |
| 368 | H | 94.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | trans | -82.6 | 120.4 | 167.2 | 179.3 | 66.4 | 0 | 0 | 0 | 108.9 | N426 W610 K612 | H368-N426 PolarHBondContact O-ND2 2.89Å; H368-N426 PolarHBondContact O-OD1 2.63Å; H368-W610 WeakPolarHBondContact CB-O 3.44Å; H368-W610 PolarHBondContact N-O 3.32Å; H368-K612 HydrophobicContact CB-CB 4.32Å | ||
| 369 | Y | 94.5 | Very high | 90.8 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | trans | -106.3 | 129 | -179 | -72.3 | -78.1 | 0 | 0 | 0 | 110.2 | L361 K363 Q364 V367 N398 N424 N426 | L361-Y369 HydrophobicContact CB-CE1 4.46Å; L361-Y369 HydrophobicContact CD1-CE1 4.08Å; K363-Y369 HydrophobicContact CB-CD2 4.3Å; K363-Y369 HydrophobicContact CB-CE2 3.89Å; K363-Y369 HydrophobicContact CD-CD1 3.79Å; K363-Y369 HydrophobicContact CD-CD2 3.69Å; K363-Y369 HydrophobicContact CD-CE1 3.89Å; K363-Y369 HydrophobicContact CD-CE2 3.78Å; K363-Y369 HydrophobicContact CD-CG 3.68Å; K363-Y369 HydrophobicContact CG-CE2 4.43Å; Q364-Y369 VanDerWaalsContact N-CE2 3.35Å; Q364-Y369 PolarHBondContact N-OH 2.86Å; V367-Y369 HydrophobicContact CB-CD2 4.3Å; V367-Y369 HydrophobicContact CB-CE2 3.63Å; V367-Y369 HydrophobicContact CG1-CD1 4.23Å; V367-Y369 HydrophobicContact CG1-CD2 4.14Å; V367-Y369 HydrophobicContact CG1-CE1 3.83Å; V367-Y369 HydrophobicContact CG1-CE2 3.73Å; V367-Y369 HydrophobicContact CG1-CG 4.38Å; V367-Y369 WeakPolarHBondContact O-CD2 3.43Å; Y369-N398 WeakPolarHBondContact CE1-O 3.39Å; Y369-N398 PolarHBondContact OH-O 2.88Å; Y369-N424 VanDerWaalsContact CB-O 3.3Å; Y369-N424 WeakPolarHBondContact CB-O 3.35Å; Y369-N426 WeakPolarHBondContact CA-OD1 3.23Å | ||
| 370 | S | 94.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | trans | -144.2 | 174.3 | 179.9 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | V372 N424 N426 P427 | S370-V372 PolarHBondContact OG-N 3.01Å; S370-N424 CarbonylContact O-C 3.6Å; S370-N424 VanDerWaalsContact O-C 3.3Å; S370-N424 WeakPolarHBondContact O-CA 3.35Å; S370-N426 PolarHBondContact N-OD1 2.61Å; S370-N426 WeakPolarHBondContact O-CA 3.35Å; S370-N426 PolarHBondContact O-N 3.37Å; S370-P427 WeakPolarHBondContact O-CD 3.24Å | ||
| 371 | D | 93.6 | Very high | 91.1 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -90.2 | -0.1 | 170.8 | 56.2 | -12.2 | 0 | 0 | 0 | 113.1 | P373 N424 | D371-P373 WeakPolarHBondContact O-CD 3.21Å; D371-N424 PolarHBondContact N-OD1 3.42Å |
| 372 | V | 96.3 | Very high | 90 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | trans | -72.2 | 112.3 | 178.4 | -179 | 0 | 0 | 0 | 0 | 109.8 | S370 R461 | S370-V372 PolarHBondContact OG-N 3.01Å; V372-R461 HydrophobicContact CG1-CB 4.11Å; V372-R461 HydrophobicContact CG2-CB 4.21Å | ||
| 373 | P | 97.6 | Very high | 89 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | trans | -72.1 | 147.5 | -177.6 | -16.7 | 32.7 | 0 | 0 | 0 | 112.4 | D371 L420 P427 I429 V459 R461 V462 N463 | D371-P373 WeakPolarHBondContact O-CD 3.21Å; P373-L420 HydrophobicContact CG-CD1 3.97Å; P373-L420 HydrophobicContact CG-CD2 4.45Å; P373-P427 CarbonylContact C-O 3.49Å; P373-P427 WeakPolarHBondContact CA-O 3.13Å; P373-P427 HydrophobicContact CB-CG 4.12Å; P373-P427 HydrophobicContact CG-CG 4.02Å; P373-I429 HydrophobicContact CB-CD1 3.73Å; P373-I429 HydrophobicContact CB-CG1 3.98Å; P373-I429 HydrophobicContact CG-CD1 4.32Å; P373-V459 HydrophobicContact CG-CG1 3.77Å; P373-V459 HydrophobicContact CG-CG2 4.32Å; P373-R461 VanDerWaalsContact CD-O 3.31Å; P373-R461 WeakPolarHBondContact CD-O 3.37Å; P373-V462 CarbonylContact O-C 3.55Å; P373-V462 VanDerWaalsContact O-CA 3.3Å; P373-V462 WeakPolarHBondContact O-CA 3.36Å; P373-N463 PolarHBondContact O-N 3.13Å | ||
| 374 | T | 98.4 | Very high | 88 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115 | 168.8 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | F376 P427 T428 I429 N463 V465 I609 W610 | T374-F376 HydrophobicContact CG2-CD2 4.14Å; T374-F376 HydrophobicContact CG2-CE2 3.45Å; T374-F376 VanDerWaalsContact CG2-CE2 3.45Å; T374-F376 HydrophobicContact CG2-CZ 3.81Å; T374-F376 WeakPolarHBondContact O-CD2 3.38Å; T374-P427 PolarHBondContact N-O 2.55Å; T374-T428 WeakPolarHBondContact O-CA 3.23Å; T374-I429 PolarHBondContact O-N 2.82Å; T374-N463 CarbonylContact C-O 3.57Å; T374-N463 WeakPolarHBondContact CA-O 3.27Å; T374-N463 HydrophobicContact CG2-CB 4.08Å; T374-N463 PolarHBondContact OG1-ND2 2.99Å; T374-V465 HydrophobicContact CG2-CG2 3.63Å; T374-I609 HydrophobicContact CG2-CD1 4.12Å; T374-W610 HydrophobicContact CG2-CH2 4.37Å; T374-W610 HydrophobicContact CG2-CZ2 4.02Å; T374-W610 WeakPolarHBondContact OG1-CZ2 3.08Å |
| 375 | V | 98.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.8 | -178.6 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | I377 I429 V431 M451 L454 V462 N463 L464 V465 | V375-I377 HydrophobicContact CG1-CD1 4.41Å; V375-I377 HydrophobicContact CG1-CG1 4.16Å; V375-I429 CarbonylContact C-O 3.59Å; V375-I429 WeakPolarHBondContact CA-O 3.24Å; V375-I429 HydrophobicContact CG2-CB 4.34Å; V375-I429 HydrophobicContact CG2-CD1 4.4Å; V375-V431 HydrophobicContact CG1-CG2 3.58Å; V375-M451 HydrophobicContact CB-CE 4.36Å; V375-M451 HydrophobicContact CG1-CE 4.27Å; V375-M451 HydrophobicContact CG2-CE 4.32Å; V375-L454 HydrophobicContact CG2-CD1 3.83Å; V375-V462 HydrophobicContact CG2-CB 4.28Å; V375-V462 HydrophobicContact CG2-CG1 4.13Å; V375-N463 PolarHBondContact N-O 3.43Å; V375-L464 HydrophobicContact CB-CD1 3.93Å; V375-L464 HydrophobicContact CG1-CD1 4.12Å; V375-V465 PolarHBondContact O-N 3.13Å |
| 376 | F | 97.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.8 | -179.3 | -72.4 | -96.6 | 0 | 0 | 0 | 110.4 | T374 F387 L390 L391 L394 T428 I429 V431 V465 W610 | T374-F376 HydrophobicContact CG2-CD2 4.14Å; T374-F376 HydrophobicContact CG2-CE2 3.45Å; T374-F376 VanDerWaalsContact CG2-CE2 3.45Å; T374-F376 HydrophobicContact CG2-CZ 3.81Å; T374-F376 WeakPolarHBondContact O-CD2 3.38Å; F376-F387 HydrophobicContact CB-CB 4.34Å; F376-F387 HydrophobicContact CB-CD2 3.89Å; F376-F387 HydrophobicContact CB-CE2 4.32Å; F376-F387 HydrophobicContact CB-CG 4.05Å; F376-F387 HydrophobicContact CD1-CB 4.27Å; F376-F387 AromaticContact CD1-CD1 3.56Å; F376-F387 HydrophobicContact CD1-CD1 3.56Å; F376-F387 HydrophobicContact CD1-CD2 4.25Å; F376-F387 AromaticContact CD1-CE1 3.82Å; F376-F387 HydrophobicContact CD1-CE1 3.82Å; F376-F387 HydrophobicContact CD1-CE2 4.47Å; F376-F387 AromaticContact CD1-CG 3.77Å; F376-F387 HydrophobicContact CD1-CG 3.77Å; F376-F387 HydrophobicContact CD1-CZ 4.26Å; F376-F387 HydrophobicContact CE1-CD1 4.17Å; F376-F387 HydrophobicContact CE1-CE1 4.41Å; F376-F387 HydrophobicContact CG-CG 4.31Å; F376-L390 HydrophobicContact CE1-CD2 3.95Å; F376-L391 HydrophobicContact CD1-CD2 4.39Å; F376-L391 HydrophobicContact CD2-CD2 3.72Å; F376-L391 HydrophobicContact CE1-CD2 4.16Å; F376-L391 HydrophobicContact CE2-CD2 3.46Å; F376-L391 VanDerWaalsContact CE2-CD2 3.46Å; F376-L391 HydrophobicContact CG-CD2 4.18Å; F376-L391 HydrophobicContact CZ-CD2 3.68Å; F376-L394 HydrophobicContact CZ-CD1 4.43Å; F376-T428 HydrophobicContact CE2-CG2 3.82Å; F376-I429 PolarHBondContact N-O 3.25Å; F376-V431 PolarHBondContact O-N 3.01Å; F376-V465 CarbonylContact C-O 3.55Å; F376-V465 VanDerWaalsContact CA-O 3.26Å; F376-V465 WeakPolarHBondContact CA-O 3.47Å; F376-V465 HydrophobicContact CD1-CB 3.78Å; F376-V465 HydrophobicContact CD1-CG1 3.8Å; F376-V465 HydrophobicContact CE1-CB 3.8Å; F376-V465 HydrophobicContact CE1-CG1 3.71Å; F376-V465 HydrophobicContact CE1-CG2 4.13Å; F376-V465 HydrophobicContact CG-CB 4.4Å; F376-V465 HydrophobicContact CZ-CB 4.41Å; F376-V465 HydrophobicContact CZ-CG2 4.32Å; F376-W610 HydrophobicContact CZ-CH2 4.24Å |
| 377 | I | 96 | Very high | 86.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 116.3 | -175.3 | -55.3 | -177.4 | 0 | 0 | 0 | 110 | V375 F387 V431 F433 I447 L464 V465 S466 H467 | V375-I377 HydrophobicContact CG1-CD1 4.41Å; V375-I377 HydrophobicContact CG1-CG1 4.16Å; I377-F387 WeakPolarHBondContact O-CE2 3.48Å; I377-V431 HydrophobicContact CG1-CB 4.19Å; I377-V431 HydrophobicContact CG1-CG2 4.28Å; I377-F433 HydrophobicContact CG2-CE2 3.86Å; I377-F433 HydrophobicContact CG2-CZ 3.94Å; I377-I447 HydrophobicContact CD1-CD1 3.75Å; I377-I447 HydrophobicContact CD1-CG1 3.81Å; I377-I447 HydrophobicContact CD1-CG2 3.98Å; I377-I447 HydrophobicContact CG2-CD1 4.16Å; I377-L464 HydrophobicContact CD1-CD1 3.59Å; I377-L464 HydrophobicContact CG1-CD1 4.13Å; I377-V465 PolarHBondContact N-O 3.43Å; I377-S466 CarbonylContact O-C 3.53Å; I377-S466 WeakPolarHBondContact O-CA 3.34Å; I377-H467 PolarHBondContact O-N 2.88Å |
| 378 | H | 90.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | trans | -77.8 | 169.1 | -178.4 | 63.3 | 78.4 | 0 | 0 | 0 | 112.7 | G382 F387 V431 L432 F433 H467 G470 | H378-G382 VanDerWaalsContact CE1-C 3.41Å; H378-G382 PolarHBondContact CE1-O 2.85Å; H378-G382 WeakPolarHBondContact ND1-CA 3.28Å; H378-G382 PolarHBondContact ND1-O 3.46Å; H378-G382 PolarHBondContact NE2-O 2.83Å; H378-F387 HydrophobicContact CB-CD2 4.48Å; H378-F387 HydrophobicContact CB-CE2 4.42Å; H378-V431 PolarHBondContact CD2-O 3.21Å; H378-V431 VanDerWaalsContact CD2-O 3.29Å; H378-L432 WeakPolarHBondContact NE2-CA 3.29Å; H378-F433 AromaticContact CE1-CD2 3.51Å; H378-F433 AromaticContact NE2-CD2 3.86Å; H378-F433 PolarHBondContact NE2-N 3.05Å; H378-F433 VanDerWaalsContact NE2-N 3.11Å; H378-H467 CarbonylContact C-O 3.56Å; H378-G470 VanDerWaalsContact O-CA 3.28Å; H378-G470 WeakPolarHBondContact O-CA 3.1Å | ||
| 379 | G | 83.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | trans | -80.1 | -172.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G382 H467 | G379-G382 PolarHBondContact O-N 3.27Å; G379-H467 WeakPolarHBondContact CA-O 3.28Å; G379-H467 PolarHBondContact N-O 2.82Å; G379-H467 VanDerWaalsContact N-O 3.15Å | ||
| 380 | Y | 78.5 | Confident | 85.3 | Confident | 70 Ų | 70 | 25.9 Ų | 25.9 | 28% | 0.275 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 138.5 | 168 | -177.4 | -110.5 | 0 | 0 | 0 | 110.5 | G382 D436 T438 M469 A505 | Y380-G382 PolarHBondContact O-N 3.4Å; Y380-D436 HydrophobicContact CD2-CB 4.18Å; Y380-D436 HydrophobicContact CE2-CB 3.84Å; Y380-T438 HydrophobicContact CD2-CG2 4.15Å; Y380-T438 HydrophobicContact CE2-CG2 3.4Å; Y380-M469 HydrophobicContact CD2-CE 3.84Å; Y380-M469 HydrophobicContact CG-CE 4.16Å; Y380-A505 HydrophobicContact CD1-CB 4.26Å; Y380-A505 WeakPolarHBondContact CD1-O 3.35Å; Y380-A505 HydrophobicContact CD2-CB 4.12Å; Y380-A505 WeakPolarHBondContact CE1-O 3.44Å; Y380-A505 HydrophobicContact CG-CB 3.93Å |
| 381 | E | 69 | Low | 85.1 | Confident | 92 Ų | 92 | 25.1 Ų | 25.1 | 43% | 0.43 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 11.1 | -174.9 | -68.5 | 175.9 | -171.6 | 0 | 0 | 114.9 | D436 | E381-D436 VanDerWaalsContact CA-OD1 3.3Å; E381-D436 WeakPolarHBondContact CA-OD1 3.44Å; E381-D436 HydrophobicContact CG-CB 4.49Å; E381-D436 PolarHBondContact N-OD1 3.43Å |
| 382 | G | 62.1 | Low | 84.8 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | trans | -71.3 | 154.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H378 G379 Y380 S386 | H378-G382 VanDerWaalsContact CE1-C 3.41Å; H378-G382 PolarHBondContact CE1-O 2.85Å; H378-G382 WeakPolarHBondContact ND1-CA 3.28Å; H378-G382 PolarHBondContact ND1-O 3.46Å; H378-G382 PolarHBondContact NE2-O 2.83Å; G379-G382 PolarHBondContact O-N 3.27Å; Y380-G382 PolarHBondContact O-N 3.4Å; G382-S386 VanDerWaalsContact CA-OG 3.31Å; G382-S386 WeakPolarHBondContact CA-OG 3.23Å | ||
| 383 | N | 69.5 | Low | 84.5 | Confident | 76 Ų | 76 | 26.9 Ų | 26.9 | 41% | 0.406 | 13% | 0.129 | S | C | . | . | trans | -150.6 | -165.5 | -180 | 60.8 | 47.8 | 0 | 0 | 0 | 109.9 | F385 S386 | N383-F385 PolarHBondContact O-N 2.64Å; N383-F385 VanDerWaalsContact OD1-CB 3.25Å; N383-F385 WeakPolarHBondContact OD1-CB 3.42Å; N383-F385 WeakPolarHBondContact OD1-CD2 3.49Å; N383-F385 PolarHBondContact OD1-N 3.12Å; N383-S386 PolarHBondContact N-OG 3.2Å; N383-S386 WeakPolarHBondContact O-CB 3.43Å; N383-S386 PolarHBondContact O-N 3.31Å; N383-S386 PolarHBondContact O-OG 2.87Å | ||
| 384 | S | 69.1 | Low | 84.3 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 15% | 0.154 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -20 | -179 | 74 | 0 | 0 | 0 | 0 | 114.3 | G388 | S384-G388 WeakPolarHBondContact O-CA 3.36Å; S384-G388 PolarHBondContact O-N 2.77Å |
| 385 | F | 70.8 | Confident | 84 | Confident | 99 Ų | 99 | 28.4 Ų | 28.4 | 43% | 0.434 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -80.8 | -17.7 | 176.4 | -61.1 | -73.8 | 0 | 0 | 0 | 113.7 | N383 P389 | N383-F385 PolarHBondContact O-N 2.64Å; N383-F385 VanDerWaalsContact OD1-CB 3.25Å; N383-F385 WeakPolarHBondContact OD1-CB 3.42Å; N383-F385 WeakPolarHBondContact OD1-CD2 3.49Å; N383-F385 PolarHBondContact OD1-N 3.12Å; F385-P389 WeakPolarHBondContact O-CD 3.49Å |
| 386 | S | 78.5 | Confident | 83.5 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 180 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | G382 N383 T596 | G382-S386 VanDerWaalsContact CA-OG 3.31Å; G382-S386 WeakPolarHBondContact CA-OG 3.23Å; N383-S386 PolarHBondContact N-OG 3.2Å; N383-S386 WeakPolarHBondContact O-CB 3.43Å; N383-S386 PolarHBondContact O-N 3.31Å; N383-S386 PolarHBondContact O-OG 2.87Å; S386-T596 WeakPolarHBondContact O-CB 3.44Å; S386-T596 PolarHBondContact O-OG1 2.9Å |
| 387 | F | 88.7 | Confident | 83.2 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -117.1 | -13.4 | 176.5 | -71.8 | -66.2 | 0 | 0 | 0 | 114.5 | F376 I377 H378 L390 L391 V465 H467 I495 T596 | F376-F387 HydrophobicContact CB-CB 4.34Å; F376-F387 HydrophobicContact CB-CD2 3.89Å; F376-F387 HydrophobicContact CB-CE2 4.32Å; F376-F387 HydrophobicContact CB-CG 4.05Å; F376-F387 HydrophobicContact CD1-CB 4.27Å; F376-F387 AromaticContact CD1-CD1 3.56Å; F376-F387 HydrophobicContact CD1-CD1 3.56Å; F376-F387 HydrophobicContact CD1-CD2 4.25Å; F376-F387 AromaticContact CD1-CE1 3.82Å; F376-F387 HydrophobicContact CD1-CE1 3.82Å; F376-F387 HydrophobicContact CD1-CE2 4.47Å; F376-F387 AromaticContact CD1-CG 3.77Å; F376-F387 HydrophobicContact CD1-CG 3.77Å; F376-F387 HydrophobicContact CD1-CZ 4.26Å; F376-F387 HydrophobicContact CE1-CD1 4.17Å; F376-F387 HydrophobicContact CE1-CE1 4.41Å; F376-F387 HydrophobicContact CG-CG 4.31Å; I377-F387 WeakPolarHBondContact O-CE2 3.48Å; H378-F387 HydrophobicContact CB-CD2 4.48Å; H378-F387 HydrophobicContact CB-CE2 4.42Å; F387-L390 HydrophobicContact CD1-CD2 4.03Å; F387-L390 HydrophobicContact CE1-CD2 4.5Å; F387-L390 WeakPolarHBondContact O-CB 3.35Å; F387-L390 PolarHBondContact O-N 3.16Å; F387-L390 VanDerWaalsContact O-N 3.1Å; F387-L391 HydrophobicContact CB-CG 4.46Å; F387-L391 WeakPolarHBondContact O-CG 3.38Å; F387-L391 PolarHBondContact O-N 3.05Å; F387-V465 HydrophobicContact CE1-CG1 4.21Å; F387-V465 HydrophobicContact CZ-CG1 4.35Å; F387-H467 HydrophobicContact CE2-CB 4.11Å; F387-H467 HydrophobicContact CZ-CB 3.71Å; F387-I495 HydrophobicContact CE1-CD1 4.12Å; F387-I495 HydrophobicContact CZ-CD1 4.4Å; F387-T596 HydrophobicContact CE1-CG2 4.11Å; F387-T596 HydrophobicContact CZ-CG2 4.48Å |
| 388 | G | 83.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.6 | -50.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S384 L390 L391 R392 | S384-G388 WeakPolarHBondContact O-CA 3.36Å; S384-G388 PolarHBondContact O-N 2.77Å; G388-L390 PolarHBondContact O-N 2.92Å; G388-L391 PolarHBondContact O-N 3.34Å; G388-R392 WeakPolarHBondContact O-CG 3.16Å; G388-R392 PolarHBondContact O-N 3.34Å |
| 389 | P | 84.1 | Confident | 83.4 | Confident | 23 Ų | 23 | 43 Ų | 43 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 176.1 | -25.8 | 35.5 | 0 | 0 | 0 | 113.6 | F385 R392 R393 | F385-P389 WeakPolarHBondContact O-CD 3.49Å; P389-R392 PolarHBondContact O-N 3.01Å; P389-R393 WeakPolarHBondContact O-CG 3.21Å; P389-R393 PolarHBondContact O-N 3.37Å; P389-R393 VanDerWaalsContact O-N 3.08Å |
| 390 | L | 91.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 177 | 174.9 | 65.4 | 0 | 0 | 0 | 111.3 | F376 F387 G388 R392 R393 L394 E602 L605 | F376-L390 HydrophobicContact CE1-CD2 3.95Å; F387-L390 HydrophobicContact CD1-CD2 4.03Å; F387-L390 HydrophobicContact CE1-CD2 4.5Å; F387-L390 WeakPolarHBondContact O-CB 3.35Å; F387-L390 PolarHBondContact O-N 3.16Å; F387-L390 VanDerWaalsContact O-N 3.1Å; G388-L390 PolarHBondContact O-N 2.92Å; L390-R392 VanDerWaalsContact C-N 3.3Å; L390-R392 PolarHBondContact O-N 3.47Å; L390-R393 PolarHBondContact O-N 2.95Å; L390-R393 VanDerWaalsContact O-N 3.14Å; L390-L394 HydrophobicContact CD1-CD1 4.37Å; L390-L394 HydrophobicContact CD1-CG 4.29Å; L390-L394 HydrophobicContact CG-CD1 4.15Å; L390-L394 HydrophobicContact CG-CG 4.48Å; L390-L394 WeakPolarHBondContact O-CG 3.14Å; L390-L394 PolarHBondContact O-N 3.26Å; L390-E602 HydrophobicContact CD1-CB 3.77Å; L390-E602 HydrophobicContact CD1-CG 3.77Å; L390-L605 HydrophobicContact CD2-CD1 3.71Å |
| 391 | L | 91.4 | Very high | 84.6 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 179.8 | -66.4 | -176 | 0 | 0 | 0 | 112.1 | F376 F387 G388 L394 E395 R402 T428 M430 | F376-L391 HydrophobicContact CD1-CD2 4.39Å; F376-L391 HydrophobicContact CD2-CD2 3.72Å; F376-L391 HydrophobicContact CE1-CD2 4.16Å; F376-L391 HydrophobicContact CE2-CD2 3.46Å; F376-L391 VanDerWaalsContact CE2-CD2 3.46Å; F376-L391 HydrophobicContact CG-CD2 4.18Å; F376-L391 HydrophobicContact CZ-CD2 3.68Å; F387-L391 HydrophobicContact CB-CG 4.46Å; F387-L391 WeakPolarHBondContact O-CG 3.38Å; F387-L391 PolarHBondContact O-N 3.05Å; G388-L391 PolarHBondContact O-N 3.34Å; L391-L394 HydrophobicContact CD2-CD1 4.4Å; L391-E395 PolarHBondContact O-N 3.43Å; L391-R402 HydrophobicContact CD1-CG 4.45Å; L391-T428 HydrophobicContact CD2-CG2 4.02Å; L391-M430 HydrophobicContact CD1-CB 4.11Å; L391-M430 HydrophobicContact CD1-CG 4.36Å; L391-M430 HydrophobicContact CD1-SD 4.07Å |
| 392 | R | 86 | Confident | 85.6 | Confident | 89 Ų | 89 | 35.8 Ų | 35.8 | 34% | 0.336 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 174.8 | -73.4 | -168.5 | -63 | -91 | 13.2 | 112.1 | G388 P389 L390 E395 R396 | G388-R392 WeakPolarHBondContact O-CG 3.16Å; G388-R392 PolarHBondContact O-N 3.34Å; P389-R392 PolarHBondContact O-N 3.01Å; L390-R392 VanDerWaalsContact C-N 3.3Å; L390-R392 PolarHBondContact O-N 3.47Å; R392-E395 PolarHBondContact O-N 3.5Å; R392-R396 WeakPolarHBondContact O-CB 3.35Å; R392-R396 PolarHBondContact O-N 3.18Å |
| 393 | R | 90.8 | Very high | 87 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 18% | 0.181 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.5 | -44.4 | 177.8 | -67.7 | -169.5 | -50.3 | -103.9 | -2.1 | 111.5 | P389 L390 E395 R396 E397 K597 E602 | P389-R393 WeakPolarHBondContact O-CG 3.21Å; P389-R393 PolarHBondContact O-N 3.37Å; P389-R393 VanDerWaalsContact O-N 3.08Å; L390-R393 PolarHBondContact O-N 2.95Å; L390-R393 VanDerWaalsContact O-N 3.14Å; R393-E395 VanDerWaalsContact C-N 3.28Å; R393-E395 PolarHBondContact O-N 3.17Å; R393-R396 PolarHBondContact O-N 3.47Å; R393-E397 WeakPolarHBondContact O-CB 3.49Å; R393-E397 WeakPolarHBondContact O-CG 3.42Å; R393-E397 PolarHBondContact O-N 3.47Å; R393-K597 PolarHBondContact NH1-O 2.9Å; R393-K597 PolarHBondContact NH2-O 3.28Å; R393-K597 VanDerWaalsContact NH2-O 3.17Å; R393-E602 WeakPolarHBondContact CB-OE1 3.23Å; R393-E602 IonicContact CZ-OE2 3.31Å; R393-E602 VanDerWaalsContact CZ-OE2 3.25Å; R393-E602 IonicContact NE-OE2 3.27Å; R393-E602 PolarHBondContact NE-OE2 3.2Å; R393-E602 IonicContact NH2-OE2 3.38Å; R393-E602 PolarHBondContact NH2-OE2 3.02Å |
| 394 | L | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.4 | -39 | 173.8 | -68.8 | 173.5 | 0 | 0 | 0 | 112.7 | F376 L390 L391 N398 V399 A400 E602 I606 W610 | F376-L394 HydrophobicContact CZ-CD1 4.43Å; L390-L394 HydrophobicContact CD1-CD1 4.37Å; L390-L394 HydrophobicContact CD1-CG 4.29Å; L390-L394 HydrophobicContact CG-CD1 4.15Å; L390-L394 HydrophobicContact CG-CG 4.48Å; L390-L394 WeakPolarHBondContact O-CG 3.14Å; L390-L394 PolarHBondContact O-N 3.26Å; L391-L394 HydrophobicContact CD2-CD1 4.4Å; L394-N398 PolarHBondContact O-N 3.01Å; L394-V399 HydrophobicContact CD2-CB 4.11Å; L394-V399 HydrophobicContact CD2-CG1 4.17Å; L394-V399 PolarHBondContact O-N 3.07Å; L394-A400 CarbonylContact C-O 3.55Å; L394-A400 HydrophobicContact CB-CB 4.23Å; L394-A400 PolarHBondContact O-N 2.78Å; L394-E602 HydrophobicContact CD2-CG 4.19Å; L394-I606 HydrophobicContact CD2-CD1 4.02Å; L394-I606 HydrophobicContact CD2-CG1 3.81Å; L394-W610 HydrophobicContact CD1-CH2 3.81Å; L394-W610 HydrophobicContact CD1-CZ3 3.87Å; L394-W610 HydrophobicContact CD2-CZ3 3.97Å |
| 395 | E | 91.5 | Very high | 89.1 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.4 | -45.6 | 176.1 | -175.2 | 165 | -173 | 0 | 0 | 111.7 | G357 L361 L391 R392 R393 E397 N398 A400 K401 | G357-E395 VanDerWaalsContact CA-OE1 3.28Å; G357-E395 WeakPolarHBondContact CA-OE1 3.44Å; G357-E395 PolarHBondContact N-OE1 3.15Å; L361-E395 HydrophobicContact CD2-CG 4.21Å; L391-E395 PolarHBondContact O-N 3.43Å; R392-E395 PolarHBondContact O-N 3.5Å; R393-E395 VanDerWaalsContact C-N 3.28Å; R393-E395 PolarHBondContact O-N 3.17Å; E395-E397 VanDerWaalsContact C-N 3.27Å; E395-E397 PolarHBondContact O-N 3.46Å; E395-N398 WeakPolarHBondContact O-CA 3.34Å; E395-N398 PolarHBondContact O-N 3.14Å; E395-A400 WeakPolarHBondContact CA-O 3.37Å; E395-A400 PolarHBondContact N-O 2.85Å; E395-K401 WeakPolarHBondContact OE1-CE 3.11Å; E395-K401 IonicContact OE1-NZ 3.34Å |
| 396 | R | 88.5 | Confident | 90.2 | Very high | 178 Ų | 178 | 26.6 Ų | 26.6 | 67% | 0.672 | 12% | 0.117 | S | C | * | . | H | α-helix | trans | -59.9 | -37.6 | 175.9 | -175.2 | 179.8 | 66.3 | -172.4 | 2.1 | 112.3 | R392 R393 N398 | R392-R396 WeakPolarHBondContact O-CB 3.35Å; R392-R396 PolarHBondContact O-N 3.18Å; R393-R396 PolarHBondContact O-N 3.47Å; R396-N398 PolarHBondContact O-N 3.23Å |
| 397 | E | 91.3 | Very high | 90.7 | Very high | 83 Ų | 83 | 26.8 Ų | 26.8 | 39% | 0.388 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 9.1 | 176.8 | -66.3 | -172.6 | -168.6 | 0 | 0 | 112.8 | Q364 R393 E395 V399 | Q364-E397 PolarHBondContact NE2-O 2.77Å; R393-E397 WeakPolarHBondContact O-CB 3.49Å; R393-E397 WeakPolarHBondContact O-CG 3.42Å; R393-E397 PolarHBondContact O-N 3.47Å; E395-E397 VanDerWaalsContact C-N 3.27Å; E395-E397 PolarHBondContact O-N 3.46Å; E397-V399 HydrophobicContact CB-CG2 4.16Å; E397-V399 PolarHBondContact O-N 2.75Å |
| 398 | N | 93.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 26.6 Ų | 26.6 | 24% | 0.241 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 27.9 | 179.9 | -60.4 | -84.7 | 0 | 0 | 0 | 114.9 | L361 V362 Y369 L394 E395 R396 | L361-N398 HydrophobicContact CB-CB 4.34Å; V362-N398 PolarHBondContact N-OD1 3.3Å; V362-N398 VanDerWaalsContact O-CB 3.3Å; V362-N398 WeakPolarHBondContact O-CB 3.48Å; Y369-N398 WeakPolarHBondContact CE1-O 3.39Å; Y369-N398 PolarHBondContact OH-O 2.88Å; L394-N398 PolarHBondContact O-N 3.01Å; E395-N398 WeakPolarHBondContact O-CA 3.34Å; E395-N398 PolarHBondContact O-N 3.14Å; R396-N398 PolarHBondContact O-N 3.23Å |
| 399 | V | 95.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -88.5 | -48.9 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | V367 L394 E397 N426 I606 W610 | V367-V399 HydrophobicContact CG1-CG1 4.27Å; V367-V399 HydrophobicContact CG2-CG2 4.42Å; L394-V399 HydrophobicContact CD2-CB 4.11Å; L394-V399 HydrophobicContact CD2-CG1 4.17Å; L394-V399 PolarHBondContact O-N 3.07Å; E397-V399 HydrophobicContact CB-CG2 4.16Å; E397-V399 PolarHBondContact O-N 2.75Å; V399-N426 WeakPolarHBondContact O-CB 3.02Å; V399-N426 PolarHBondContact O-ND2 3.37Å; V399-I606 HydrophobicContact CG1-CG1 4.15Å; V399-I606 HydrophobicContact CG1-CG2 4.36Å; V399-I606 HydrophobicContact CG2-CD1 4.05Å; V399-I606 HydrophobicContact CG2-CG1 4.38Å; V399-W610 HydrophobicContact CG1-CB 4.09Å; V399-W610 HydrophobicContact CG1-CD2 3.93Å; V399-W610 HydrophobicContact CG1-CE3 3.63Å; V399-W610 HydrophobicContact CG1-CG 4.13Å; V399-W610 HydrophobicContact CG1-CZ3 4.41Å |
| 400 | A | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | trans | -148.7 | 152.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L394 E395 N426 T428 W610 | L394-A400 CarbonylContact C-O 3.55Å; L394-A400 HydrophobicContact CB-CB 4.23Å; L394-A400 PolarHBondContact O-N 2.78Å; E395-A400 WeakPolarHBondContact CA-O 3.37Å; E395-A400 PolarHBondContact N-O 2.85Å; A400-N426 WeakPolarHBondContact CA-O 3.49Å; A400-N426 HydrophobicContact CB-CB 3.94Å; A400-N426 WeakPolarHBondContact CB-O 3.33Å; A400-T428 HydrophobicContact CB-CG2 3.72Å; A400-W610 HydrophobicContact CB-CH2 4.32Å; A400-W610 HydrophobicContact CB-CZ2 3.98Å | ||
| 401 | K | 92.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.5 | -173.1 | -175.4 | 165.5 | -171.9 | 147.2 | 0 | 111.9 | G357 G359 L361 E395 E403 D425 N426 P427 T428 | G357-K401 VanDerWaalsContact O-CE 3.23Å; G357-K401 WeakPolarHBondContact O-CE 3.38Å; G357-K401 PolarHBondContact O-NZ 2.72Å; G359-K401 PolarHBondContact O-NZ 3.3Å; L361-K401 HydrophobicContact CD1-CB 4.11Å; L361-K401 HydrophobicContact CD2-CB 4.16Å; L361-K401 HydrophobicContact CD2-CD 4.49Å; L361-K401 HydrophobicContact CG-CB 4.16Å; E395-K401 WeakPolarHBondContact OE1-CE 3.11Å; E395-K401 IonicContact OE1-NZ 3.34Å; K401-E403 HydrophobicContact CG-CG 4.22Å; K401-E403 PolarHBondContact O-N 3.4Å; K401-D425 HydrophobicContact CB-CB 4.01Å; K401-D425 HydrophobicContact CD-CB 4.45Å; K401-D425 PolarHBondContact N-O 3.18Å; K401-N426 PolarHBondContact N-O 3.48Å; K401-N426 VanDerWaalsContact N-O 3.1Å; K401-P427 CarbonylContact O-C 3.53Å; K401-P427 VanDerWaalsContact O-CA 3.31Å; K401-P427 WeakPolarHBondContact O-CA 3.42Å; K401-T428 PolarHBondContact O-N 2.96Å |
| 402 | R | 90.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 3% | 0.034 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125 | 171.6 | -171.9 | 174.8 | 164.8 | -173.6 | -13.9 | 109.6 | Y355 F356 L391 T405 T428 M430 | Y355-R402 VanDerWaalsContact CB-CZ 3.45Å; Y355-R402 VanDerWaalsContact CG-NH1 3.3Å; F356-R402 HydrophobicContact CD1-CG 4.4Å; F356-R402 VanDerWaalsContact CD1-O 3.29Å; F356-R402 WeakPolarHBondContact CD1-O 3.39Å; F356-R402 HydrophobicContact CE1-CG 4.02Å; L391-R402 HydrophobicContact CD1-CG 4.45Å; R402-T405 PolarHBondContact NE-OG1 2.74Å; R402-T405 VanDerWaalsContact NE-OG1 3.16Å; R402-T405 PolarHBondContact NH2-OG1 3.34Å; R402-T428 WeakPolarHBondContact CA-OG1 3.41Å; R402-T428 PolarHBondContact N-OG1 2.71Å; R402-M430 VanDerWaalsContact CZ-CE 3.42Å; R402-M430 VanDerWaalsContact NH2-CE 3.27Å |
| 403 | E | 91 | Very high | 90.1 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -20.1 | -177.5 | -67.7 | -155.7 | 151.7 | 0 | 0 | 113.6 | F356 K401 G418 K419 L420 K421 P427 T428 | F356-E403 WeakPolarHBondContact CE1-O 3.47Å; K401-E403 HydrophobicContact CG-CG 4.22Å; K401-E403 PolarHBondContact O-N 3.4Å; E403-G418 CarbonylContact O-C 3.5Å; E403-G418 WeakPolarHBondContact O-CA 3.18Å; E403-K419 CarbonylContact O-C 3.6Å; E403-K419 PolarHBondContact O-N 3.42Å; E403-L420 HydrophobicContact CB-CD2 4Å; E403-L420 VanDerWaalsContact OE2-CA 3.25Å; E403-L420 WeakPolarHBondContact OE2-CA 3.3Å; E403-K421 PolarHBondContact OE2-N 3.25Å; E403-P427 HydrophobicContact CB-CB 4.26Å; E403-P427 HydrophobicContact CG-CB 4Å; E403-T428 PolarHBondContact N-O 3.02Å |
| 404 | M | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.3 | 179.8 | -170.8 | 177.9 | -77.1 | 0 | 0 | 112.5 | I406 I416 E417 L420 T428 I429 M430 Y453 L454 | M404-I406 HydrophobicContact CG-CD1 4.47Å; M404-I406 HydrophobicContact CG-CG1 3.98Å; M404-I406 HydrophobicContact SD-CD1 3.77Å; M404-I406 HydrophobicContact SD-CG1 3.88Å; M404-I416 HydrophobicContact CE-CG2 4.22Å; M404-I416 HydrophobicContact CG-CG2 3.89Å; M404-I416 HydrophobicContact SD-CG2 4.02Å; M404-E417 CarbonylContact C-O 3.52Å; M404-E417 VanDerWaalsContact CA-O 3.3Å; M404-E417 WeakPolarHBondContact CA-O 3.43Å; M404-L420 HydrophobicContact CB-CD2 4.44Å; M404-L420 HydrophobicContact CE-CG 3.94Å; M404-T428 PolarHBondContact N-O 3.03Å; M404-I429 HydrophobicContact CB-CB 4.48Å; M404-I429 HydrophobicContact CB-CG1 4.13Å; M404-I429 HydrophobicContact CB-CG2 4.1Å; M404-I429 HydrophobicContact CG-CG2 4.2Å; M404-I429 WeakPolarHBondContact O-CA 3.39Å; M404-I429 HydrophobicContact SD-CD1 4.3Å; M404-I429 HydrophobicContact SD-CG2 4.32Å; M404-M430 PolarHBondContact O-N 3.39Å; M404-M430 VanDerWaalsContact O-N 3.1Å; M404-Y453 HydrophobicContact CE-CE1 4.43Å; M404-Y453 HydrophobicContact SD-CE1 4.05Å; M404-L454 HydrophobicContact SD-CD2 4.1Å |
| 405 | T | 91 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.8 | 166.1 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | R402 E417 M430 L432 | R402-T405 PolarHBondContact NE-OG1 2.74Å; R402-T405 VanDerWaalsContact NE-OG1 3.16Å; R402-T405 PolarHBondContact NH2-OG1 3.34Å; T405-E417 PolarHBondContact N-O 2.84Å; T405-E417 PolarHBondContact O-N 2.59Å; T405-M430 CarbonylContact C-O 3.57Å; T405-M430 VanDerWaalsContact CA-O 3.24Å; T405-M430 WeakPolarHBondContact CA-O 3.44Å; T405-M430 HydrophobicContact CG2-CB 4.42Å; T405-M430 HydrophobicContact CG2-CE 4.01Å; T405-L432 HydrophobicContact CG2-CD1 4.05Å; T405-L432 HydrophobicContact CG2-CG 4.29Å |
| 406 | I | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.8 | -179.9 | -58.1 | 174.6 | 0 | 0 | 0 | 107.2 | M404 L414 T415 I416 I429 M430 V431 L432 V450 Y453 L454 | M404-I406 HydrophobicContact CG-CD1 4.47Å; M404-I406 HydrophobicContact CG-CG1 3.98Å; M404-I406 HydrophobicContact SD-CD1 3.77Å; M404-I406 HydrophobicContact SD-CG1 3.88Å; I406-L414 HydrophobicContact CG2-CB 4.26Å; I406-L414 HydrophobicContact CG2-CD2 4.06Å; I406-T415 WeakPolarHBondContact CA-O 3.48Å; I406-I416 HydrophobicContact CG1-CG1 4.2Å; I406-I416 HydrophobicContact CG1-CG2 4.46Å; I406-I416 HydrophobicContact CG2-CG1 4.37Å; I406-I429 HydrophobicContact CD1-CG2 3.92Å; I406-I429 HydrophobicContact CG1-CG2 4.13Å; I406-M430 PolarHBondContact N-O 3.42Å; I406-V431 CarbonylContact O-C 3.49Å; I406-V431 VanDerWaalsContact O-CA 3.32Å; I406-V431 WeakPolarHBondContact O-CA 3Å; I406-L432 PolarHBondContact O-N 3.1Å; I406-V450 HydrophobicContact CD1-CG1 3.83Å; I406-V450 HydrophobicContact CG2-CG2 4.03Å; I406-Y453 HydrophobicContact CD1-CD1 3.89Å; I406-Y453 HydrophobicContact CD1-CE1 4.04Å; I406-L454 HydrophobicContact CD1-CD2 3.98Å; I406-L454 HydrophobicContact CD1-CG 4.49Å |
| 407 | V | 88.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.6 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | T415 L432 A434 | V407-T415 PolarHBondContact N-O 3.07Å; V407-T415 PolarHBondContact O-N 3.03Å; V407-L432 CarbonylContact C-O 3.59Å; V407-L432 WeakPolarHBondContact CA-O 3.34Å; V407-L432 HydrophobicContact CG1-CB 4.45Å; V407-L432 HydrophobicContact CG2-CB 4.28Å; V407-L432 HydrophobicContact CG2-CD1 4.31Å; V407-A434 HydrophobicContact CG1-CB 3.96Å |
| 408 | V | 88.1 | Confident | 89.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.8 | 172.7 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | L414 V431 L432 F433 A434 W446 V450 | V408-L414 HydrophobicContact CB-CD2 4.26Å; V408-L414 HydrophobicContact CG1-CD2 4.09Å; V408-L414 HydrophobicContact CG2-CD2 3.75Å; V408-V431 HydrophobicContact CG2-CG1 4.08Å; V408-L432 PolarHBondContact N-O 3.37Å; V408-F433 HydrophobicContact CB-CD1 3.95Å; V408-F433 HydrophobicContact CB-CE1 4.41Å; V408-F433 HydrophobicContact CG2-CD1 4.05Å; V408-F433 HydrophobicContact CG2-CE1 4.07Å; V408-A434 WeakPolarHBondContact O-CB 3.14Å; V408-A434 PolarHBondContact O-N 3.12Å; V408-W446 HydrophobicContact CG1-CB 3.86Å; V408-W446 HydrophobicContact CG1-CD2 3.79Å; V408-W446 HydrophobicContact CG1-CE3 4.21Å; V408-W446 HydrophobicContact CG1-CG 3.65Å; V408-V450 HydrophobicContact CG2-CG2 3.72Å |
| 409 | Q | 86.6 | Confident | 89.3 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -73.2 | 164.6 | 176.5 | -57.2 | -58.4 | -48.4 | 0 | 0 | 110.9 | D411 G412 K413 | Q409-D411 WeakPolarHBondContact CB-OD1 3.27Å; Q409-D411 PolarHBondContact O-N 2.63Å; Q409-D411 VanDerWaalsContact O-N 3.09Å; Q409-G412 WeakPolarHBondContact O-CA 3.39Å; Q409-G412 PolarHBondContact O-N 3.22Å; Q409-K413 HydrophobicContact CB-CB 4.21Å; Q409-K413 WeakPolarHBondContact CB-O 3.19Å; Q409-K413 HydrophobicContact CG-CB 4.28Å; Q409-K413 WeakPolarHBondContact CG-O 3.33Å; Q409-K413 PolarHBondContact N-O 3.42Å |
| 410 | G | 76.6 | Confident | 89 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | W446 | G410-W446 WeakPolarHBondContact O-CZ2 3.44Š|
| 411 | D | 85.2 | Confident | 88.5 | Confident | 116 Ų | 116 | 43.7 Ų | 43.7 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2 | 171.1 | 65.7 | -4.1 | 0 | 0 | 0 | 113 | Q409 K413 | Q409-D411 WeakPolarHBondContact CB-OD1 3.27Å; Q409-D411 PolarHBondContact O-N 2.63Å; Q409-D411 VanDerWaalsContact O-N 3.09Å; D411-K413 WeakPolarHBondContact OD1-CB 3.32Å; D411-K413 PolarHBondContact OD1-N 3.44Å |
| 412 | G | 85.9 | Confident | 88 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 78.7 | 9.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q409 K449 | Q409-G412 WeakPolarHBondContact O-CA 3.39Å; Q409-G412 PolarHBondContact O-N 3.22Å; G412-K449 WeakPolarHBondContact O-CD 3.39Å |
| 413 | K | 91.6 | Very high | 87.5 | Confident | 136 Ų | 136 | 50.8 Ų | 50.8 | 59% | 0.591 | 27% | 0.27 | S | S | * | . | trans | -68 | 139.2 | 173.2 | -175.9 | 180 | 177.1 | -176.3 | 0 | 110.3 | Q409 D411 | Q409-K413 HydrophobicContact CB-CB 4.21Å; Q409-K413 WeakPolarHBondContact CB-O 3.19Å; Q409-K413 HydrophobicContact CG-CB 4.28Å; Q409-K413 WeakPolarHBondContact CG-O 3.33Å; Q409-K413 PolarHBondContact N-O 3.42Å; D411-K413 WeakPolarHBondContact OD1-CB 3.32Å; D411-K413 PolarHBondContact OD1-N 3.44Å | ||
| 414 | L | 93.5 | Very high | 87.5 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.1 | 179.3 | -53 | -177.3 | 0 | 0 | 0 | 111.2 | I406 V408 I416 V450 Y453 | I406-L414 HydrophobicContact CG2-CB 4.26Å; I406-L414 HydrophobicContact CG2-CD2 4.06Å; V408-L414 HydrophobicContact CB-CD2 4.26Å; V408-L414 HydrophobicContact CG1-CD2 4.09Å; V408-L414 HydrophobicContact CG2-CD2 3.75Å; L414-I416 HydrophobicContact CB-CD1 3.86Å; L414-V450 HydrophobicContact CD2-CG2 3.88Å; L414-Y453 HydrophobicContact CD1-CG 4.03Å |
| 415 | T | 89.2 | Confident | 87.5 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.9 | 165.8 | -59.3 | 0 | 0 | 0 | 0 | 108.2 | I406 V407 | I406-T415 WeakPolarHBondContact CA-O 3.48Å; V407-T415 PolarHBondContact N-O 3.07Å; V407-T415 PolarHBondContact O-N 3.03Å |
| 416 | I | 91.6 | Very high | 87.7 | Confident | 57 Ų | 57 | 54 Ų | 54 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.6 | -172.4 | -58.1 | 92.7 | 0 | 0 | 0 | 110.5 | M404 I406 L414 Y453 | M404-I416 HydrophobicContact CE-CG2 4.22Å; M404-I416 HydrophobicContact CG-CG2 3.89Å; M404-I416 HydrophobicContact SD-CG2 4.02Å; I406-I416 HydrophobicContact CG1-CG1 4.2Å; I406-I416 HydrophobicContact CG1-CG2 4.46Å; I406-I416 HydrophobicContact CG2-CG1 4.37Å; L414-I416 HydrophobicContact CB-CD1 3.86Å; I416-Y453 HydrophobicContact CD1-CD2 4.41Å; I416-Y453 HydrophobicContact CD1-CE1 4.43Å; I416-Y453 HydrophobicContact CD1-CE2 3.89Å; I416-Y453 HydrophobicContact CG1-CE1 3.85Å; I416-Y453 HydrophobicContact CG1-CE2 4.17Å; I416-Y453 HydrophobicContact CG2-CE1 4.4Å |
| 417 | E | 82.3 | Confident | 87.8 | Confident | 30 Ų | 30 | 54 Ų | 54 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.2 | 172 | -62 | -175.4 | 172.2 | 0 | 0 | 110.4 | I348 A351 M404 T405 | I348-E417 HydrophobicContact CG2-CG 4.49Å; A351-E417 WeakPolarHBondContact CB-OE2 3.36Å; M404-E417 CarbonylContact C-O 3.52Å; M404-E417 VanDerWaalsContact CA-O 3.3Å; M404-E417 WeakPolarHBondContact CA-O 3.43Å; T405-E417 PolarHBondContact N-O 2.84Å; T405-E417 PolarHBondContact O-N 2.59Å |
| 418 | G | 85.5 | Confident | 88.2 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.6 | -175 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E403 | E403-G418 CarbonylContact O-C 3.5Å; E403-G418 WeakPolarHBondContact O-CA 3.18Å |
| 419 | K | 89.1 | Confident | 88.6 | Confident | 153 Ų | 153 | 52.8 Ų | 52.8 | 67% | 0.665 | 28% | 0.281 | S | S | * | . | trans | -159.2 | 138.9 | -180 | -173.6 | 179.6 | 177.6 | 179.8 | 0 | 108.8 | E403 K421 | E403-K419 CarbonylContact O-C 3.6Å; E403-K419 PolarHBondContact O-N 3.42Å; K419-K421 PolarHBondContact O-N 3.33Å | ||
| 420 | L | 90 | Very high | 88.9 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | trans | -64.4 | 124.2 | 171.4 | -59.5 | 177.4 | 0 | 0 | 0 | 110.2 | P373 E403 M404 P427 I429 V459 | P373-L420 HydrophobicContact CG-CD1 3.97Å; P373-L420 HydrophobicContact CG-CD2 4.45Å; E403-L420 HydrophobicContact CB-CD2 4Å; E403-L420 VanDerWaalsContact OE2-CA 3.25Å; E403-L420 WeakPolarHBondContact OE2-CA 3.3Å; M404-L420 HydrophobicContact CB-CD2 4.44Å; M404-L420 HydrophobicContact CE-CG 3.94Å; L420-P427 HydrophobicContact CD2-CB 3.86Å; L420-P427 HydrophobicContact CD2-CG 4.43Å; L420-I429 HydrophobicContact CD1-CD1 4.23Å; L420-I429 HydrophobicContact CD2-CD1 4.06Å; L420-I429 HydrophobicContact CD2-CG1 4.13Å; L420-V459 HydrophobicContact CD1-CG2 3.33Å | ||
| 421 | K | 83.7 | Confident | 89.8 | Confident | 122 Ų | 122 | 47.8 Ų | 47.8 | 53% | 0.53 | 25% | 0.247 | S | C | . | . | trans | -96.2 | -11.6 | -174 | -62.3 | 178.8 | 179.4 | 171.3 | 0 | 113.3 | E403 K419 T423 | E403-K421 PolarHBondContact OE2-N 3.25Å; K419-K421 PolarHBondContact O-N 3.33Å; K421-T423 VanDerWaalsContact C-N 3.28Å; K421-T423 HydrophobicContact CB-CG2 3.96Å; K421-T423 PolarHBondContact O-N 3.39Å | ||
| 422 | N | 81.1 | Confident | 89.9 | Confident | 111 Ų | 111 | 43.6 Ų | 43.6 | 59% | 0.594 | 22% | 0.224 | S | C | * | . | trans | 56.2 | 37.3 | -178.3 | -60.4 | -16.6 | 0 | 0 | 0 | 113.5 | N424 | N422-N424 PolarHBondContact O-N 3.49Š| ||
| 423 | T | 81.5 | Confident | 89.8 | Confident | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -86.5 | 12 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | T360 K421 D425 | T360-T423 HydrophobicContact CG2-CG2 4.17Å; K421-T423 VanDerWaalsContact C-N 3.28Å; K421-T423 HydrophobicContact CB-CG2 3.96Å; K421-T423 PolarHBondContact O-N 3.39Å; T423-D425 VanDerWaalsContact CB-OD2 3.28Å; T423-D425 WeakPolarHBondContact CB-OD2 3.32Å; T423-D425 PolarHBondContact O-N 2.9Å; T423-D425 WeakPolarHBondContact OG1-CB 3.49Å; T423-D425 VanDerWaalsContact OG1-CG 3.28Å; T423-D425 PolarHBondContact OG1-OD2 2.98Å |
| 424 | N | 90.1 | Very high | 88.7 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 51.2 | 37.3 | -170.4 | -67.8 | -46.6 | 0 | 0 | 0 | 112.4 | K363 Y369 S370 D371 N422 N426 | K363-N424 PolarHBondContact NZ-O 2.79Å; Y369-N424 VanDerWaalsContact CB-O 3.3Å; Y369-N424 WeakPolarHBondContact CB-O 3.35Å; S370-N424 CarbonylContact O-C 3.6Å; S370-N424 VanDerWaalsContact O-C 3.3Å; S370-N424 WeakPolarHBondContact O-CA 3.35Å; D371-N424 PolarHBondContact N-OD1 3.42Å; N422-N424 PolarHBondContact O-N 3.49Å; N424-N426 VanDerWaalsContact C-N 3.35Å |
| 425 | D | 92.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -96.2 | 23.9 | -177 | -79.7 | -38.3 | 0 | 0 | 0 | 113 | T360 L361 K363 K401 T423 | T360-D425 WeakPolarHBondContact CA-OD2 3.3Å; T360-D425 WeakPolarHBondContact CB-OD2 3.49Å; L361-D425 WeakPolarHBondContact CB-OD1 3.42Å; L361-D425 HydrophobicContact CD1-CB 4.04Å; L361-D425 VanDerWaalsContact CD1-O 3.27Å; L361-D425 WeakPolarHBondContact CD1-O 3.42Å; L361-D425 HydrophobicContact CG-CB 4.01Å; L361-D425 PolarHBondContact N-OD1 3.2Å; K363-D425 IonicContact NZ-OD1 2.81Å; K363-D425 PolarHBondContact NZ-OD1 2.78Å; K401-D425 HydrophobicContact CB-CB 4.01Å; K401-D425 HydrophobicContact CD-CB 4.45Å; K401-D425 PolarHBondContact N-O 3.18Å; T423-D425 VanDerWaalsContact CB-OD2 3.28Å; T423-D425 WeakPolarHBondContact CB-OD2 3.32Å; T423-D425 PolarHBondContact O-N 2.9Å; T423-D425 WeakPolarHBondContact OG1-CB 3.49Å; T423-D425 VanDerWaalsContact OG1-CG 3.28Å; T423-D425 PolarHBondContact OG1-OD2 2.98Å |
| 426 | N | 95.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 50.3 | 67.4 | -173.2 | -68.9 | -29.3 | 0 | 0 | 0 | 110.6 | H368 Y369 S370 V399 A400 K401 N424 T428 W610 | H368-N426 PolarHBondContact O-ND2 2.89Å; H368-N426 PolarHBondContact O-OD1 2.63Å; Y369-N426 WeakPolarHBondContact CA-OD1 3.23Å; S370-N426 PolarHBondContact N-OD1 2.61Å; S370-N426 WeakPolarHBondContact O-CA 3.35Å; S370-N426 PolarHBondContact O-N 3.37Å; V399-N426 WeakPolarHBondContact O-CB 3.02Å; V399-N426 PolarHBondContact O-ND2 3.37Å; A400-N426 WeakPolarHBondContact CA-O 3.49Å; A400-N426 HydrophobicContact CB-CB 3.94Å; A400-N426 WeakPolarHBondContact CB-O 3.33Å; K401-N426 PolarHBondContact N-O 3.48Å; K401-N426 VanDerWaalsContact N-O 3.1Å; N424-N426 VanDerWaalsContact C-N 3.35Å; N426-T428 PolarHBondContact O-N 3.02Å; N426-W610 VanDerWaalsContact ND2-CD1 3.26Å | ||
| 427 | P | 95.7 | Very high | 85.5 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 140.1 | -171.8 | 22.8 | -29.8 | 0 | 0 | 0 | 111.3 | S370 P373 T374 K401 E403 L420 | S370-P427 WeakPolarHBondContact O-CD 3.24Å; P373-P427 CarbonylContact C-O 3.49Å; P373-P427 WeakPolarHBondContact CA-O 3.13Å; P373-P427 HydrophobicContact CB-CG 4.12Å; P373-P427 HydrophobicContact CG-CG 4.02Å; T374-P427 PolarHBondContact N-O 2.55Å; K401-P427 CarbonylContact O-C 3.53Å; K401-P427 VanDerWaalsContact O-CA 3.31Å; K401-P427 WeakPolarHBondContact O-CA 3.42Å; E403-P427 HydrophobicContact CB-CB 4.26Å; E403-P427 HydrophobicContact CG-CB 4Å; L420-P427 HydrophobicContact CD2-CB 3.86Å; L420-P427 HydrophobicContact CD2-CG 4.43Å |
| 428 | T | 96.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.2 | 173 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | T374 F376 L391 A400 K401 R402 E403 M404 N426 | T374-T428 WeakPolarHBondContact O-CA 3.23Å; F376-T428 HydrophobicContact CE2-CG2 3.82Å; L391-T428 HydrophobicContact CD2-CG2 4.02Å; A400-T428 HydrophobicContact CB-CG2 3.72Å; K401-T428 PolarHBondContact O-N 2.96Å; R402-T428 WeakPolarHBondContact CA-OG1 3.41Å; R402-T428 PolarHBondContact N-OG1 2.71Å; E403-T428 PolarHBondContact N-O 3.02Å; M404-T428 PolarHBondContact N-O 3.03Å; N426-T428 PolarHBondContact O-N 3.02Å |
| 429 | I | 96.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122 | 180 | -52.1 | -174.6 | 0 | 0 | 0 | 106.8 | P373 T374 V375 F376 M404 I406 L420 L454 | P373-I429 HydrophobicContact CB-CD1 3.73Å; P373-I429 HydrophobicContact CB-CG1 3.98Å; P373-I429 HydrophobicContact CG-CD1 4.32Å; T374-I429 PolarHBondContact O-N 2.82Å; V375-I429 CarbonylContact C-O 3.59Å; V375-I429 WeakPolarHBondContact CA-O 3.24Å; V375-I429 HydrophobicContact CG2-CB 4.34Å; V375-I429 HydrophobicContact CG2-CD1 4.4Å; F376-I429 PolarHBondContact N-O 3.25Å; M404-I429 HydrophobicContact CB-CB 4.48Å; M404-I429 HydrophobicContact CB-CG1 4.13Å; M404-I429 HydrophobicContact CB-CG2 4.1Å; M404-I429 HydrophobicContact CG-CG2 4.2Å; M404-I429 WeakPolarHBondContact O-CA 3.39Å; M404-I429 HydrophobicContact SD-CD1 4.3Å; M404-I429 HydrophobicContact SD-CG2 4.32Å; I406-I429 HydrophobicContact CD1-CG2 3.92Å; I406-I429 HydrophobicContact CG1-CG2 4.13Å; L420-I429 HydrophobicContact CD1-CD1 4.23Å; L420-I429 HydrophobicContact CD2-CD1 4.06Å; L420-I429 HydrophobicContact CD2-CG1 4.13Å; I429-L454 HydrophobicContact CD1-CD1 3.99Å; I429-L454 HydrophobicContact CD1-CD2 3.51Å; I429-L454 HydrophobicContact CD1-CG 4.42Å |
| 430 | M | 93.8 | Very high | 84.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 174.3 | -166.3 | 169.6 | 72.4 | 0 | 0 | 109.3 | L391 R402 M404 T405 I406 L432 | L391-M430 HydrophobicContact CD1-CB 4.11Å; L391-M430 HydrophobicContact CD1-CG 4.36Å; L391-M430 HydrophobicContact CD1-SD 4.07Å; R402-M430 VanDerWaalsContact CZ-CE 3.42Å; R402-M430 VanDerWaalsContact NH2-CE 3.27Å; M404-M430 PolarHBondContact O-N 3.39Å; M404-M430 VanDerWaalsContact O-N 3.1Å; T405-M430 CarbonylContact C-O 3.57Å; T405-M430 VanDerWaalsContact CA-O 3.24Å; T405-M430 WeakPolarHBondContact CA-O 3.44Å; T405-M430 HydrophobicContact CG2-CB 4.42Å; T405-M430 HydrophobicContact CG2-CE 4.01Å; I406-M430 PolarHBondContact N-O 3.42Å; M430-L432 HydrophobicContact CE-CD1 4.02Å; M430-L432 HydrophobicContact CE-CD2 4.04Å; M430-L432 HydrophobicContact CE-CG 4.17Å; M430-L432 HydrophobicContact CG-CD2 4.2Å; M430-L432 HydrophobicContact SD-CD2 4.44Å |
| 431 | V | 94.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.6 | 173 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | V375 F376 I377 H378 I406 V408 F433 V450 | V375-V431 HydrophobicContact CG1-CG2 3.58Å; F376-V431 PolarHBondContact O-N 3.01Å; I377-V431 HydrophobicContact CG1-CB 4.19Å; I377-V431 HydrophobicContact CG1-CG2 4.28Å; H378-V431 PolarHBondContact CD2-O 3.21Å; H378-V431 VanDerWaalsContact CD2-O 3.29Å; I406-V431 CarbonylContact O-C 3.49Å; I406-V431 VanDerWaalsContact O-CA 3.32Å; I406-V431 WeakPolarHBondContact O-CA 3Å; V408-V431 HydrophobicContact CG2-CG1 4.08Å; V431-F433 HydrophobicContact CG1-CE1 4.2Å; V431-F433 HydrophobicContact CG1-CZ 4.41Å; V431-V450 HydrophobicContact CG1-CG2 4.11Å; V431-V450 HydrophobicContact CG2-CG1 3.93Å |
| 432 | L | 87.1 | Confident | 84.5 | Confident | 28 Ų | 28 | 39 Ų | 39 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140 | 175.9 | -60.9 | -179.9 | 0 | 0 | 0 | 109.8 | H378 T405 I406 V407 V408 M430 | H378-L432 WeakPolarHBondContact NE2-CA 3.29Å; T405-L432 HydrophobicContact CG2-CD1 4.05Å; T405-L432 HydrophobicContact CG2-CG 4.29Å; I406-L432 PolarHBondContact O-N 3.1Å; V407-L432 CarbonylContact C-O 3.59Å; V407-L432 WeakPolarHBondContact CA-O 3.34Å; V407-L432 HydrophobicContact CG1-CB 4.45Å; V407-L432 HydrophobicContact CG2-CB 4.28Å; V407-L432 HydrophobicContact CG2-CD1 4.31Å; V408-L432 PolarHBondContact N-O 3.37Å; M430-L432 HydrophobicContact CE-CD1 4.02Å; M430-L432 HydrophobicContact CE-CD2 4.04Å; M430-L432 HydrophobicContact CE-CG 4.17Å; M430-L432 HydrophobicContact CG-CD2 4.2Å; M430-L432 HydrophobicContact SD-CD2 4.44Å |
| 433 | F | 84.6 | Confident | 85 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.2 | 169.2 | -56.2 | -58.4 | 0 | 0 | 0 | 108.7 | I377 H378 V408 V431 K435 Q443 W446 I447 | I377-F433 HydrophobicContact CG2-CE2 3.86Å; I377-F433 HydrophobicContact CG2-CZ 3.94Å; H378-F433 AromaticContact CE1-CD2 3.51Å; H378-F433 AromaticContact NE2-CD2 3.86Å; H378-F433 PolarHBondContact NE2-N 3.05Å; H378-F433 VanDerWaalsContact NE2-N 3.11Å; V408-F433 HydrophobicContact CB-CD1 3.95Å; V408-F433 HydrophobicContact CB-CE1 4.41Å; V408-F433 HydrophobicContact CG2-CD1 4.05Å; V408-F433 HydrophobicContact CG2-CE1 4.07Å; V431-F433 HydrophobicContact CG1-CE1 4.2Å; V431-F433 HydrophobicContact CG1-CZ 4.41Å; F433-K435 VanDerWaalsContact C-N 3.27Å; F433-Q443 HydrophobicContact CE2-CG 4.32Å; F433-Q443 HydrophobicContact CZ-CB 4.42Å; F433-Q443 HydrophobicContact CZ-CG 4.47Å; F433-W446 HydrophobicContact CB-CE3 4.49Å; F433-W446 HydrophobicContact CB-CZ3 4.2Å; F433-W446 HydrophobicContact CD1-CD2 4.46Å; F433-W446 AromaticContact CD1-CE3 3.43Å; F433-W446 HydrophobicContact CD1-CE3 3.43Å; F433-W446 VanDerWaalsContact CD1-CE3 3.43Å; F433-W446 AromaticContact CD1-CZ3 4Å; F433-W446 HydrophobicContact CD1-CZ3 4Å; F433-W446 HydrophobicContact CE1-CB 4.05Å; F433-W446 AromaticContact CE1-CE3 3.88Å; F433-W446 HydrophobicContact CE1-CE3 3.88Å; F433-W446 HydrophobicContact CG-CE3 4.13Å; F433-W446 HydrophobicContact CG-CZ3 4.28Å; F433-I447 HydrophobicContact CZ-CG1 4.17Å |
| 434 | A | 69.5 | Low | 85.7 | Confident | 61 Ų | 61 | 31.4 Ų | 31.4 | 50% | 0.504 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -77 | -19 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V407 V408 | V407-A434 HydrophobicContact CG1-CB 3.96Å; V408-A434 WeakPolarHBondContact O-CB 3.14Å; V408-A434 PolarHBondContact O-N 3.12Å |
| 435 | K | 69.5 | Low | 85.9 | Confident | 127 Ų | 127 | 31.8 Ų | 31.8 | 55% | 0.552 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -126.3 | 124.3 | 173.2 | 179.7 | 178.9 | 179.7 | -176.8 | 0 | 107.1 | F433 V437 | F433-K435 VanDerWaalsContact C-N 3.27Å; K435-V437 HydrophobicContact CD-CG1 4.43Å; K435-V437 HydrophobicContact CG-CG1 4.34Å; K435-V437 PolarHBondContact O-N 3.25Å |
| 436 | D | 68.6 | Low | 86.1 | Confident | 62 Ų | 62 | 32.2 Ų | 32.2 | 33% | 0.332 | 17% | 0.174 | S | C | . | . | trans | -69.6 | 127.8 | 168.2 | -67.2 | -59.3 | 0 | 0 | 0 | 109.2 | Y380 E381 | Y380-D436 HydrophobicContact CD2-CB 4.18Å; Y380-D436 HydrophobicContact CE2-CB 3.84Å; E381-D436 VanDerWaalsContact CA-OD1 3.3Å; E381-D436 WeakPolarHBondContact CA-OD1 3.44Å; E381-D436 HydrophobicContact CG-CB 4.49Å; E381-D436 PolarHBondContact N-OD1 3.43Å | ||
| 437 | V | 68.1 | Low | 86.1 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | trans | -123.3 | 131.6 | 174 | -65.4 | 0 | 0 | 0 | 0 | 105.9 | K435 D439 T442 Q443 W446 M469 | K435-V437 HydrophobicContact CD-CG1 4.43Å; K435-V437 HydrophobicContact CG-CG1 4.34Å; K435-V437 PolarHBondContact O-N 3.25Å; V437-D439 PolarHBondContact O-N 3.12Å; V437-T442 HydrophobicContact CG1-CG2 4.48Å; V437-T442 HydrophobicContact CG2-CG2 4.14Å; V437-Q443 HydrophobicContact CG2-CG 3.53Å; V437-W446 HydrophobicContact CB-CH2 4.49Å; V437-W446 HydrophobicContact CG1-CH2 3.61Å; V437-W446 HydrophobicContact CG1-CZ2 4.38Å; V437-W446 HydrophobicContact CG1-CZ3 4.17Å; V437-W446 HydrophobicContact CG2-CE3 4.47Å; V437-W446 HydrophobicContact CG2-CH2 4.01Å; V437-W446 HydrophobicContact CG2-CZ3 3.78Å; V437-M469 WeakPolarHBondContact O-CE 3.41Å | ||
| 438 | T | 65.4 | Low | 86.2 | Confident | 76 Ų | 76 | 33 Ų | 33 | 47% | 0.466 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -76.7 | -10.8 | 179.5 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | Y380 A505 | Y380-T438 HydrophobicContact CD2-CG2 4.15Å; Y380-T438 HydrophobicContact CE2-CG2 3.4Å; T438-A505 HydrophobicContact CG2-CB 3.98Å |
| 439 | D | 77.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 37 Ų | 37 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | trans | -93.4 | 120.5 | -178.6 | 166.5 | 65.1 | 0 | 0 | 0 | 111.6 | V437 I441 T442 Q443 | V437-D439 PolarHBondContact O-N 3.12Å; D439-I441 PolarHBondContact O-N 3.39Å; D439-I441 WeakPolarHBondContact OD1-CB 3.36Å; D439-I441 WeakPolarHBondContact OD1-CG1 3.34Å; D439-I441 PolarHBondContact OD1-N 2.9Å; D439-I441 WeakPolarHBondContact OD2-CB 3.32Å; D439-T442 VanDerWaalsContact OD2-CB 3.24Å; D439-T442 WeakPolarHBondContact OD2-CB 3.12Å; D439-T442 PolarHBondContact OD2-N 2.82Å; D439-T442 PolarHBondContact OD2-OG1 3.47Å; D439-Q443 PolarHBondContact O-N 3.4Å | ||
| 440 | E | 86.6 | Confident | 86.4 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.1 | -21.8 | -179.5 | 85 | -68.3 | 171.9 | 0 | 0 | 112.4 | S444 M469 V472 R476 I527 | E440-S444 WeakPolarHBondContact O-CB 3.25Å; E440-S444 PolarHBondContact O-N 3.12Å; E440-S444 PolarHBondContact O-OG 2.85Å; E440-M469 HydrophobicContact CB-CG 4.3Å; E440-V472 HydrophobicContact CB-CG1 4.12Å; E440-V472 HydrophobicContact CG-CG1 3.85Å; E440-R476 IonicContact OE1-CZ 3.02Å; E440-R476 IonicContact OE1-NE 3.25Å; E440-R476 PolarHBondContact OE1-NE 3.45Å; E440-R476 IonicContact OE1-NH2 2.66Å; E440-R476 PolarHBondContact OE1-NH2 2.95Å; E440-I527 HydrophobicContact CG-CD1 4.4Å |
| 441 | I | 89.4 | Confident | 86.6 | Confident | 64 Ų | 64 | 37 Ų | 37 | 33% | 0.328 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.9 | -52.5 | 177.8 | -57.3 | 175.3 | 0 | 0 | 0 | 109.6 | D439 Q443 S444 E445 | D439-I441 PolarHBondContact O-N 3.39Å; D439-I441 WeakPolarHBondContact OD1-CB 3.36Å; D439-I441 WeakPolarHBondContact OD1-CG1 3.34Å; D439-I441 PolarHBondContact OD1-N 2.9Å; D439-I441 WeakPolarHBondContact OD2-CB 3.32Å; I441-Q443 VanDerWaalsContact C-N 3.31Å; I441-Q443 PolarHBondContact O-N 3.07Å; I441-S444 WeakPolarHBondContact O-CA 3.3Å; I441-S444 WeakPolarHBondContact O-CB 3.39Å; I441-S444 PolarHBondContact O-N 3.21Å; I441-S444 PolarHBondContact O-OG 2.96Å; I441-E445 PolarHBondContact O-N 3.17Å |
| 442 | T | 91.2 | Very high | 86.7 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 178.1 | -61 | 0 | 0 | 0 | 0 | 111 | V437 D439 S444 E445 W446 | V437-T442 HydrophobicContact CG1-CG2 4.48Å; V437-T442 HydrophobicContact CG2-CG2 4.14Å; D439-T442 VanDerWaalsContact OD2-CB 3.24Å; D439-T442 WeakPolarHBondContact OD2-CB 3.12Å; D439-T442 PolarHBondContact OD2-N 2.82Å; D439-T442 PolarHBondContact OD2-OG1 3.47Å; T442-S444 VanDerWaalsContact C-N 3.33Å; T442-S444 PolarHBondContact O-N 3.15Å; T442-E445 PolarHBondContact O-N 3.25Å; T442-W446 HydrophobicContact CG2-CD2 4.2Å; T442-W446 HydrophobicContact CG2-CH2 4.2Å; T442-W446 HydrophobicContact CG2-CZ2 3.65Å; T442-W446 PolarHBondContact O-N 3.32Å |
| 443 | Q | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 174.7 | -70 | -160.6 | -4.8 | 0 | 0 | 111.9 | F433 V437 D439 I441 E445 W446 I447 M469 S473 | F433-Q443 HydrophobicContact CE2-CG 4.32Å; F433-Q443 HydrophobicContact CZ-CB 4.42Å; F433-Q443 HydrophobicContact CZ-CG 4.47Å; V437-Q443 HydrophobicContact CG2-CG 3.53Å; D439-Q443 PolarHBondContact O-N 3.4Å; I441-Q443 VanDerWaalsContact C-N 3.31Å; I441-Q443 PolarHBondContact O-N 3.07Å; Q443-E445 VanDerWaalsContact C-N 3.33Å; Q443-E445 PolarHBondContact O-N 3.49Å; Q443-W446 WeakPolarHBondContact O-CB 3.4Å; Q443-W446 PolarHBondContact O-N 3.16Å; Q443-W446 VanDerWaalsContact O-N 3.14Å; Q443-I447 WeakPolarHBondContact O-CG1 3.26Å; Q443-I447 PolarHBondContact O-N 3.02Å; Q443-M469 HydrophobicContact CG-CE 4.42Å; Q443-S473 WeakPolarHBondContact CB-OG 3.49Å; Q443-S473 PolarHBondContact OE1-OG 2.72Å |
| 444 | S | 95 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 178.3 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | E440 I441 T442 I447 D448 S473 R476 Y481 | E440-S444 WeakPolarHBondContact O-CB 3.25Å; E440-S444 PolarHBondContact O-N 3.12Å; E440-S444 PolarHBondContact O-OG 2.85Å; I441-S444 WeakPolarHBondContact O-CA 3.3Å; I441-S444 WeakPolarHBondContact O-CB 3.39Å; I441-S444 PolarHBondContact O-N 3.21Å; I441-S444 PolarHBondContact O-OG 2.96Å; T442-S444 VanDerWaalsContact C-N 3.33Å; T442-S444 PolarHBondContact O-N 3.15Å; S444-I447 PolarHBondContact O-N 2.67Å; S444-D448 PolarHBondContact O-N 3.03Å; S444-S473 VanDerWaalsContact CB-O 3.29Å; S444-S473 WeakPolarHBondContact CB-O 3.31Å; S444-R476 VanDerWaalsContact OG-CD 3.32Å; S444-R476 WeakPolarHBondContact OG-CD 3.38Å; S444-Y481 WeakPolarHBondContact OG-CE2 3.26Å |
| 445 | E | 95.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 42.1 Ų | 42.1 | 41% | 0.407 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 171.2 | -67.7 | -175.4 | 165.1 | 0 | 0 | 112.1 | I441 T442 Q443 D448 K449 Y481 | I441-E445 PolarHBondContact O-N 3.17Å; T442-E445 PolarHBondContact O-N 3.25Å; Q443-E445 VanDerWaalsContact C-N 3.33Å; Q443-E445 PolarHBondContact O-N 3.49Å; E445-D448 WeakPolarHBondContact O-CB 3.37Å; E445-D448 PolarHBondContact O-N 3.08Å; E445-K449 PolarHBondContact O-N 3.23Å; E445-K449 VanDerWaalsContact O-N 3.08Å; E445-Y481 HydrophobicContact CG-CE2 4.34Å; E445-Y481 VanDerWaalsContact CG-OH 3.25Å; E445-Y481 WeakPolarHBondContact CG-OH 3.31Å |
| 446 | W | 95.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 4% | 0.038 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 175.1 | -72.3 | 1.3 | 0 | 0 | 0 | 112 | V408 G410 F433 V437 T442 Q443 D448 K449 V450 | V408-W446 HydrophobicContact CG1-CB 3.86Å; V408-W446 HydrophobicContact CG1-CD2 3.79Å; V408-W446 HydrophobicContact CG1-CE3 4.21Å; V408-W446 HydrophobicContact CG1-CG 3.65Å; G410-W446 WeakPolarHBondContact O-CZ2 3.44Å; F433-W446 HydrophobicContact CB-CE3 4.49Å; F433-W446 HydrophobicContact CB-CZ3 4.2Å; F433-W446 HydrophobicContact CD1-CD2 4.46Å; F433-W446 AromaticContact CD1-CE3 3.43Å; F433-W446 HydrophobicContact CD1-CE3 3.43Å; F433-W446 VanDerWaalsContact CD1-CE3 3.43Å; F433-W446 AromaticContact CD1-CZ3 4Å; F433-W446 HydrophobicContact CD1-CZ3 4Å; F433-W446 HydrophobicContact CE1-CB 4.05Å; F433-W446 AromaticContact CE1-CE3 3.88Å; F433-W446 HydrophobicContact CE1-CE3 3.88Å; F433-W446 HydrophobicContact CG-CE3 4.13Å; F433-W446 HydrophobicContact CG-CZ3 4.28Å; V437-W446 HydrophobicContact CB-CH2 4.49Å; V437-W446 HydrophobicContact CG1-CH2 3.61Å; V437-W446 HydrophobicContact CG1-CZ2 4.38Å; V437-W446 HydrophobicContact CG1-CZ3 4.17Å; V437-W446 HydrophobicContact CG2-CE3 4.47Å; V437-W446 HydrophobicContact CG2-CH2 4.01Å; V437-W446 HydrophobicContact CG2-CZ3 3.78Å; T442-W446 HydrophobicContact CG2-CD2 4.2Å; T442-W446 HydrophobicContact CG2-CH2 4.2Å; T442-W446 HydrophobicContact CG2-CZ2 3.65Å; T442-W446 PolarHBondContact O-N 3.32Å; Q443-W446 WeakPolarHBondContact O-CB 3.4Å; Q443-W446 PolarHBondContact O-N 3.16Å; Q443-W446 VanDerWaalsContact O-N 3.14Å; W446-D448 VanDerWaalsContact C-N 3.34Å; W446-K449 WeakPolarHBondContact O-CB 3.11Å; W446-K449 PolarHBondContact O-N 2.89Å; W446-V450 WeakPolarHBondContact O-CG2 3.46Å; W446-V450 PolarHBondContact O-N 2.73Å |
| 447 | I | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 173.7 | -64.8 | 169.1 | 0 | 0 | 0 | 110.3 | I377 F433 Q443 S444 K449 V450 M451 Y477 | I377-I447 HydrophobicContact CD1-CD1 3.75Å; I377-I447 HydrophobicContact CD1-CG1 3.81Å; I377-I447 HydrophobicContact CD1-CG2 3.98Å; I377-I447 HydrophobicContact CG2-CD1 4.16Å; F433-I447 HydrophobicContact CZ-CG1 4.17Å; Q443-I447 WeakPolarHBondContact O-CG1 3.26Å; Q443-I447 PolarHBondContact O-N 3.02Å; S444-I447 PolarHBondContact O-N 2.67Å; I447-K449 VanDerWaalsContact C-N 3.35Å; I447-K449 PolarHBondContact O-N 3.33Å; I447-V450 WeakPolarHBondContact O-CB 2.7Å; I447-V450 PolarHBondContact O-N 2.97Å; I447-M451 HydrophobicContact CG2-CE 4.31Å; I447-M451 HydrophobicContact CG2-CG 4.21Å; I447-M451 WeakPolarHBondContact O-CB 3.2Å; I447-M451 VanDerWaalsContact O-CG 3.25Å; I447-M451 WeakPolarHBondContact O-CG 3.41Å; I447-M451 PolarHBondContact O-N 3.09Å; I447-Y477 HydrophobicContact CB-CG 4.31Å; I447-Y477 HydrophobicContact CG2-CD1 3.81Å; I447-Y477 HydrophobicContact CG2-CD2 4.02Å; I447-Y477 HydrophobicContact CG2-CE1 4.43Å; I447-Y477 HydrophobicContact CG2-CG 3.59Å |
| 448 | D | 97.7 | Very high | 93 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 172.6 | 176.6 | 54.5 | 0 | 0 | 0 | 111.9 | S444 E445 W446 V450 M451 R452 Y477 Y481 | S444-D448 PolarHBondContact O-N 3.03Å; E445-D448 WeakPolarHBondContact O-CB 3.37Å; E445-D448 PolarHBondContact O-N 3.08Å; W446-D448 VanDerWaalsContact C-N 3.34Å; D448-V450 VanDerWaalsContact C-N 3.32Å; D448-V450 PolarHBondContact O-N 3.46Å; D448-M451 PolarHBondContact O-N 3.11Å; D448-R452 WeakPolarHBondContact O-CB 3.31Å; D448-R452 WeakPolarHBondContact O-CG 3.43Å; D448-R452 PolarHBondContact O-N 2.97Å; D448-R452 IonicContact OD1-CZ 3.71Å; D448-R452 VanDerWaalsContact OD1-CZ 3.27Å; D448-R452 IonicContact OD1-NE 3.7Å; D448-R452 PolarHBondContact OD1-NE 2.98Å; D448-R452 IonicContact OD1-NH2 3.21Å; D448-R452 PolarHBondContact OD1-NH2 2.83Å; D448-R452 IonicContact OD2-CZ 2.82Å; D448-R452 IonicContact OD2-NE 3.79Å; D448-R452 PolarHBondContact OD2-NE 3.38Å; D448-R452 IonicContact OD2-NH2 3.83Å; D448-R452 PolarHBondContact OD2-NH2 2.85Å; D448-Y477 HydrophobicContact CB-CD2 4Å; D448-Y477 HydrophobicContact CB-CE2 4.23Å; D448-Y481 HydrophobicContact CB-CD1 4.43Å; D448-Y481 HydrophobicContact CB-CD2 4.18Å; D448-Y481 HydrophobicContact CB-CG 3.89Å |
| 449 | K | 97.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 175.9 | -70.2 | 178.1 | -178 | 174.3 | 0 | 111.9 | G412 E445 W446 I447 Y453 | G412-K449 WeakPolarHBondContact O-CD 3.39Å; E445-K449 PolarHBondContact O-N 3.23Å; E445-K449 VanDerWaalsContact O-N 3.08Å; W446-K449 WeakPolarHBondContact O-CB 3.11Å; W446-K449 PolarHBondContact O-N 2.89Å; I447-K449 VanDerWaalsContact C-N 3.35Å; I447-K449 PolarHBondContact O-N 3.33Å; K449-Y453 WeakPolarHBondContact O-CB 3.34Å; K449-Y453 PolarHBondContact O-N 3.38Å |
| 450 | V | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I406 V408 L414 V431 W446 I447 D448 R452 Y453 L454 | I406-V450 HydrophobicContact CD1-CG1 3.83Å; I406-V450 HydrophobicContact CG2-CG2 4.03Å; V408-V450 HydrophobicContact CG2-CG2 3.72Å; L414-V450 HydrophobicContact CD2-CG2 3.88Å; V431-V450 HydrophobicContact CG1-CG2 4.11Å; V431-V450 HydrophobicContact CG2-CG1 3.93Å; W446-V450 WeakPolarHBondContact O-CG2 3.46Å; W446-V450 PolarHBondContact O-N 2.73Å; I447-V450 WeakPolarHBondContact O-CB 2.7Å; I447-V450 PolarHBondContact O-N 2.97Å; D448-V450 VanDerWaalsContact C-N 3.32Å; D448-V450 PolarHBondContact O-N 3.46Å; V450-R452 PolarHBondContact O-N 2.96Å; V450-Y453 WeakPolarHBondContact O-CB 3.37Å; V450-Y453 PolarHBondContact O-N 2.85Å; V450-Y453 VanDerWaalsContact O-N 3.17Å; V450-L454 HydrophobicContact CG1-CD1 4.32Å; V450-L454 HydrophobicContact CG1-CG 4.5Å; V450-L454 WeakPolarHBondContact O-CG 3.5Å; V450-L454 PolarHBondContact O-N 3.46Å |
| 451 | M | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | -177.2 | -68.1 | -66.9 | -176.3 | 0 | 0 | 111.8 | V375 I447 D448 Y453 L454 Y455 V462 L464 Y477 T486 P487 | V375-M451 HydrophobicContact CB-CE 4.36Å; V375-M451 HydrophobicContact CG1-CE 4.27Å; V375-M451 HydrophobicContact CG2-CE 4.32Å; I447-M451 HydrophobicContact CG2-CE 4.31Å; I447-M451 HydrophobicContact CG2-CG 4.21Å; I447-M451 WeakPolarHBondContact O-CB 3.2Å; I447-M451 VanDerWaalsContact O-CG 3.25Å; I447-M451 WeakPolarHBondContact O-CG 3.41Å; I447-M451 PolarHBondContact O-N 3.09Å; D448-M451 PolarHBondContact O-N 3.11Å; M451-Y453 VanDerWaalsContact C-N 3.33Å; M451-Y453 PolarHBondContact O-N 2.95Å; M451-L454 PolarHBondContact O-N 3.16Å; M451-L454 HydrophobicContact SD-CD1 4.15Å; M451-Y455 PolarHBondContact O-N 2.85Å; M451-V462 HydrophobicContact CE-CG2 4.45Å; M451-V462 HydrophobicContact SD-CG2 4.26Å; M451-L464 HydrophobicContact CE-CD1 3.64Å; M451-L464 HydrophobicContact CE-CD2 4.37Å; M451-Y477 HydrophobicContact CB-CE2 3.96Å; M451-Y477 VanDerWaalsContact CB-OH 3.32Å; M451-Y477 WeakPolarHBondContact CB-OH 3.45Å; M451-Y477 HydrophobicContact CE-CE1 4.31Å; M451-Y477 HydrophobicContact CG-CE1 3.9Å; M451-Y477 HydrophobicContact CG-CE2 3.91Å; M451-Y477 VanDerWaalsContact CG-CZ 3.47Å; M451-Y477 WeakPolarHBondContact CG-OH 3.49Å; M451-T486 HydrophobicContact CB-CG2 4.47Å; M451-P487 WeakPolarHBondContact O-CD 3.21Å; M451-P487 HydrophobicContact SD-CG 4.47Å |
| 452 | R | 97.9 | Very high | 96.2 | Very high | 87 Ų | 87 | 52 Ų | 52 | 33% | 0.328 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 172.2 | -70.1 | -178.8 | -169.4 | -66.3 | -11.6 | 112.3 | D448 V450 Y455 Q456 T486 | D448-R452 WeakPolarHBondContact O-CB 3.31Å; D448-R452 WeakPolarHBondContact O-CG 3.43Å; D448-R452 PolarHBondContact O-N 2.97Å; D448-R452 IonicContact OD1-CZ 3.71Å; D448-R452 VanDerWaalsContact OD1-CZ 3.27Å; D448-R452 IonicContact OD1-NE 3.7Å; D448-R452 PolarHBondContact OD1-NE 2.98Å; D448-R452 IonicContact OD1-NH2 3.21Å; D448-R452 PolarHBondContact OD1-NH2 2.83Å; D448-R452 IonicContact OD2-CZ 2.82Å; D448-R452 IonicContact OD2-NE 3.79Å; D448-R452 PolarHBondContact OD2-NE 3.38Å; D448-R452 IonicContact OD2-NH2 3.83Å; D448-R452 PolarHBondContact OD2-NH2 2.85Å; V450-R452 PolarHBondContact O-N 2.96Å; R452-Y455 PolarHBondContact O-N 3.03Å; R452-Q456 WeakPolarHBondContact O-CG 3.24Å; R452-Q456 PolarHBondContact O-N 3.36Å; R452-T486 HydrophobicContact CG-CG2 4.06Å |
| 453 | Y | 97.7 | Very high | 96.6 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 173 | 167.9 | -95.7 | 0 | 0 | 0 | 111.3 | M404 I406 L414 I416 K449 V450 M451 Y455 Q456 Q457 | M404-Y453 HydrophobicContact CE-CE1 4.43Å; M404-Y453 HydrophobicContact SD-CE1 4.05Å; I406-Y453 HydrophobicContact CD1-CD1 3.89Å; I406-Y453 HydrophobicContact CD1-CE1 4.04Å; L414-Y453 HydrophobicContact CD1-CG 4.03Å; I416-Y453 HydrophobicContact CD1-CD2 4.41Å; I416-Y453 HydrophobicContact CD1-CE1 4.43Å; I416-Y453 HydrophobicContact CD1-CE2 3.89Å; I416-Y453 HydrophobicContact CG1-CE1 3.85Å; I416-Y453 HydrophobicContact CG1-CE2 4.17Å; I416-Y453 HydrophobicContact CG2-CE1 4.4Å; K449-Y453 WeakPolarHBondContact O-CB 3.34Å; K449-Y453 PolarHBondContact O-N 3.38Å; V450-Y453 WeakPolarHBondContact O-CB 3.37Å; V450-Y453 PolarHBondContact O-N 2.85Å; V450-Y453 VanDerWaalsContact O-N 3.17Å; M451-Y453 VanDerWaalsContact C-N 3.33Å; M451-Y453 PolarHBondContact O-N 2.95Å; Y453-Y455 VanDerWaalsContact C-N 3.33Å; Y453-Y455 PolarHBondContact O-N 2.96Å; Y453-Q456 WeakPolarHBondContact O-CB 3.44Å; Y453-Q456 PolarHBondContact O-N 2.72Å; Y453-Q456 VanDerWaalsContact O-N 3.11Å; Y453-Q457 HydrophobicContact CD1-CG 4.35Å; Y453-Q457 HydrophobicContact CE1-CG 3.8Å; Y453-Q457 HydrophobicContact CE2-CG 4.03Å; Y453-Q457 WeakPolarHBondContact O-CG 3.45Å; Y453-Q457 PolarHBondContact O-N 3.3Å |
| 454 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 177.2 | -66 | 179.8 | 0 | 0 | 0 | 111.9 | V375 M404 I406 I429 V450 M451 Q456 Q457 K458 V459 V462 P487 | V375-L454 HydrophobicContact CG2-CD1 3.83Å; M404-L454 HydrophobicContact SD-CD2 4.1Å; I406-L454 HydrophobicContact CD1-CD2 3.98Å; I406-L454 HydrophobicContact CD1-CG 4.49Å; I429-L454 HydrophobicContact CD1-CD1 3.99Å; I429-L454 HydrophobicContact CD1-CD2 3.51Å; I429-L454 HydrophobicContact CD1-CG 4.42Å; V450-L454 HydrophobicContact CG1-CD1 4.32Å; V450-L454 HydrophobicContact CG1-CG 4.5Å; V450-L454 WeakPolarHBondContact O-CG 3.5Å; V450-L454 PolarHBondContact O-N 3.46Å; M451-L454 PolarHBondContact O-N 3.16Å; M451-L454 HydrophobicContact SD-CD1 4.15Å; L454-Q456 VanDerWaalsContact C-N 3.31Å; L454-Q456 PolarHBondContact O-N 2.8Å; L454-Q457 CarbonylContact O-C 3.55Å; L454-Q457 WeakPolarHBondContact O-CA 3.26Å; L454-Q457 WeakPolarHBondContact O-CB 3.42Å; L454-Q457 PolarHBondContact O-N 3.4Å; L454-K458 PolarHBondContact O-N 3.26Å; L454-V459 HydrophobicContact CB-CB 4.08Å; L454-V459 HydrophobicContact CB-CG1 4.49Å; L454-V459 HydrophobicContact CB-CG2 4.4Å; L454-V459 VanDerWaalsContact O-CB 3.29Å; L454-V459 WeakPolarHBondContact O-CB 3.24Å; L454-V459 PolarHBondContact O-N 3.13Å; L454-V462 HydrophobicContact CD1-CG1 4.42Å; L454-P487 HydrophobicContact CB-CG 4.01Å |
| 455 | Y | 97.5 | Very high | 97.1 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 174.2 | -172.6 | -88.7 | 0 | 0 | 0 | 112.3 | M451 R452 Y453 Q457 K458 V459 F460 R485 | M451-Y455 PolarHBondContact O-N 2.85Å; R452-Y455 PolarHBondContact O-N 3.03Å; Y453-Y455 VanDerWaalsContact C-N 3.33Å; Y453-Y455 PolarHBondContact O-N 2.96Å; Y455-Q457 VanDerWaalsContact C-N 3.26Å; Y455-Q457 PolarHBondContact O-N 3.37Å; Y455-K458 WeakPolarHBondContact O-CA 3.4Å; Y455-K458 PolarHBondContact O-N 2.83Å; Y455-V459 WeakPolarHBondContact CA-O 3.14Å; Y455-F460 AromaticContact CD2-CD1 3.97Å; Y455-F460 HydrophobicContact CD2-CD1 3.97Å; Y455-F460 HydrophobicContact CD2-CE1 4.31Å; Y455-F460 AromaticContact CE2-CD1 3.6Å; Y455-F460 HydrophobicContact CE2-CD1 3.6Å; Y455-F460 AromaticContact CE2-CE1 3.83Å; Y455-F460 HydrophobicContact CE2-CE1 3.83Å; Y455-F460 AromaticContact CZ-CE1 3.93Å; Y455-R485 VanDerWaalsContact CB-O 3.28Å; Y455-R485 WeakPolarHBondContact CB-O 3.28Å; Y455-R485 HydrophobicContact CD1-CB 3.94Å; Y455-R485 HydrophobicContact CE1-CB 3.95Å; Y455-R485 HydrophobicContact CE1-CG 4.21Å; Y455-R485 VanDerWaalsContact CG-C 3.42Å; Y455-R485 HydrophobicContact CG-CB 4.46Å |
| 456 | Q | 96.2 | Very high | 97.2 | Very high | 138 Ų | 138 | 46 Ų | 46 | 65% | 0.645 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.9 | -33.2 | 174.3 | -68.8 | 170 | 7.9 | 0 | 0 | 112.2 | R452 Y453 L454 K458 | R452-Q456 WeakPolarHBondContact O-CG 3.24Å; R452-Q456 PolarHBondContact O-N 3.36Å; Y453-Q456 WeakPolarHBondContact O-CB 3.44Å; Y453-Q456 PolarHBondContact O-N 2.72Å; Y453-Q456 VanDerWaalsContact O-N 3.11Å; L454-Q456 VanDerWaalsContact C-N 3.31Å; L454-Q456 PolarHBondContact O-N 2.8Å; Q456-K458 PolarHBondContact O-N 3.17Å |
| 457 | Q | 94.2 | Very high | 97.2 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 44% | 0.444 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 12.5 | 172 | -58.2 | -48.1 | -58.7 | 0 | 0 | 113.9 | Y453 L454 Y455 V459 | Y453-Q457 HydrophobicContact CD1-CG 4.35Å; Y453-Q457 HydrophobicContact CE1-CG 3.8Å; Y453-Q457 HydrophobicContact CE2-CG 4.03Å; Y453-Q457 WeakPolarHBondContact O-CG 3.45Å; Y453-Q457 PolarHBondContact O-N 3.3Å; L454-Q457 CarbonylContact O-C 3.55Å; L454-Q457 WeakPolarHBondContact O-CA 3.26Å; L454-Q457 WeakPolarHBondContact O-CB 3.42Å; L454-Q457 PolarHBondContact O-N 3.4Å; Y455-Q457 VanDerWaalsContact C-N 3.26Å; Y455-Q457 PolarHBondContact O-N 3.37Å; Q457-V459 VanDerWaalsContact C-N 3.27Å; Q457-V459 PolarHBondContact O-N 3.38Å |
| 458 | K | 94.8 | Very high | 97.1 | Very high | 154 Ų | 154 | 46.7 Ų | 46.7 | 67% | 0.67 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 24.3 | -179 | -50.5 | -62.6 | -178.2 | -177.8 | 0 | 114.1 | L454 Y455 Q456 F460 | L454-K458 PolarHBondContact O-N 3.26Å; Y455-K458 WeakPolarHBondContact O-CA 3.4Å; Y455-K458 PolarHBondContact O-N 2.83Å; Q456-K458 PolarHBondContact O-N 3.17Å; K458-F460 HydrophobicContact CB-CE2 4.06Å; K458-F460 HydrophobicContact CB-CZ 4.21Å; K458-F460 HydrophobicContact CD-CE2 4.45Å; K458-F460 HydrophobicContact CD-CZ 3.89Å; K458-F460 VanDerWaalsContact O-CD2 3.3Å; K458-F460 WeakPolarHBondContact O-CD2 3.49Å; K458-F460 WeakPolarHBondContact O-CE2 3.4Å |
| 459 | V | 96.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | trans | -85 | 112.6 | 167 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | P373 L420 L454 Y455 Q457 R461 V462 P487 | P373-V459 HydrophobicContact CG-CG1 3.77Å; P373-V459 HydrophobicContact CG-CG2 4.32Å; L420-V459 HydrophobicContact CD1-CG2 3.33Å; L454-V459 HydrophobicContact CB-CB 4.08Å; L454-V459 HydrophobicContact CB-CG1 4.49Å; L454-V459 HydrophobicContact CB-CG2 4.4Å; L454-V459 VanDerWaalsContact O-CB 3.29Å; L454-V459 WeakPolarHBondContact O-CB 3.24Å; L454-V459 PolarHBondContact O-N 3.13Å; Y455-V459 WeakPolarHBondContact CA-O 3.14Å; Q457-V459 VanDerWaalsContact C-N 3.27Å; Q457-V459 PolarHBondContact O-N 3.38Å; V459-R461 WeakPolarHBondContact CG1-O 3.24Å; V459-V462 HydrophobicContact CG1-CG1 3.68Å; V459-P487 HydrophobicContact CG1-CB 4.41Å; V459-P487 HydrophobicContact CG1-CG 4.39Å; V459-P487 WeakPolarHBondContact O-CG 3.25Å | ||
| 460 | F | 96.5 | Very high | 96.7 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 47% | 0.465 | 18% | 0.179 | S | C | . | . | trans | -104.3 | -12.2 | -177.3 | -59.5 | -67.2 | 0 | 0 | 0 | 113.8 | Y455 K458 P487 I488 | Y455-F460 AromaticContact CD2-CD1 3.97Å; Y455-F460 HydrophobicContact CD2-CD1 3.97Å; Y455-F460 HydrophobicContact CD2-CE1 4.31Å; Y455-F460 AromaticContact CE2-CD1 3.6Å; Y455-F460 HydrophobicContact CE2-CD1 3.6Å; Y455-F460 AromaticContact CE2-CE1 3.83Å; Y455-F460 HydrophobicContact CE2-CE1 3.83Å; Y455-F460 AromaticContact CZ-CE1 3.93Å; K458-F460 HydrophobicContact CB-CE2 4.06Å; K458-F460 HydrophobicContact CB-CZ 4.21Å; K458-F460 HydrophobicContact CD-CE2 4.45Å; K458-F460 HydrophobicContact CD-CZ 3.89Å; K458-F460 VanDerWaalsContact O-CD2 3.3Å; K458-F460 WeakPolarHBondContact O-CD2 3.49Å; K458-F460 WeakPolarHBondContact O-CE2 3.4Å; F460-P487 WeakPolarHBondContact O-CA 3.45Å; F460-I488 PolarHBondContact O-N 2.84Å | ||
| 461 | R | 97.4 | Very high | 96.6 | Very high | 133 Ų | 133 | 41.7 Ų | 41.7 | 50% | 0.502 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 142 | -178.7 | -62.2 | 169.1 | 68.7 | -176.5 | -3.4 | 108.7 | V372 P373 V459 I488 E490 | V372-R461 HydrophobicContact CG1-CB 4.11Å; V372-R461 HydrophobicContact CG2-CB 4.21Å; P373-R461 VanDerWaalsContact CD-O 3.31Å; P373-R461 WeakPolarHBondContact CD-O 3.37Å; V459-R461 WeakPolarHBondContact CG1-O 3.24Å; R461-I488 CarbonylContact C-O 3.6Å; R461-I488 VanDerWaalsContact CA-O 3.31Å; R461-I488 WeakPolarHBondContact CA-O 3.09Å; R461-E490 IonicContact CZ-OE1 3.44Å; R461-E490 IonicContact NE-OE1 3.85Å; R461-E490 PolarHBondContact NE-OE1 2.78Å; R461-E490 IonicContact NH2-OE1 3.34Å; R461-E490 PolarHBondContact NH2-OE1 3.46Å; R461-E490 IonicContact NH2-OE2 2.73Å; R461-E490 PolarHBondContact NH2-OE2 3.32Å; R461-E490 VanDerWaalsContact NH2-OE2 3.09Å |
| 462 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.5 | 175.4 | -65.2 | 0 | 0 | 0 | 0 | 111 | P373 V375 M451 L454 V459 P487 I488 T489 E490 | P373-V462 CarbonylContact O-C 3.55Å; P373-V462 VanDerWaalsContact O-CA 3.3Å; P373-V462 WeakPolarHBondContact O-CA 3.36Å; V375-V462 HydrophobicContact CG2-CB 4.28Å; V375-V462 HydrophobicContact CG2-CG1 4.13Å; M451-V462 HydrophobicContact CE-CG2 4.45Å; M451-V462 HydrophobicContact SD-CG2 4.26Å; L454-V462 HydrophobicContact CD1-CG1 4.42Å; V459-V462 HydrophobicContact CG1-CG1 3.68Å; V462-P487 HydrophobicContact CB-CB 4.44Å; V462-P487 HydrophobicContact CG1-CB 3.75Å; V462-P487 HydrophobicContact CG1-CG 4.1Å; V462-P487 HydrophobicContact CG2-CB 4.07Å; V462-I488 PolarHBondContact N-O 2.65Å; V462-T489 WeakPolarHBondContact O-CA 3.47Å; V462-E490 PolarHBondContact O-N 3.31Å |
| 463 | N | 98.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 148.2 | 154.9 | -51.7 | -71.3 | 0 | 0 | 0 | 108.1 | P373 T374 V375 R491 I609 | P373-N463 PolarHBondContact O-N 3.13Å; T374-N463 CarbonylContact C-O 3.57Å; T374-N463 WeakPolarHBondContact CA-O 3.27Å; T374-N463 HydrophobicContact CG2-CB 4.08Å; T374-N463 PolarHBondContact OG1-ND2 2.99Å; V375-N463 PolarHBondContact N-O 3.43Å; N463-R491 WeakPolarHBondContact CA-O 3.49Å; N463-R491 HydrophobicContact CB-CB 4.21Å; N463-R491 WeakPolarHBondContact OD1-CB 2.92Å; N463-R491 WeakPolarHBondContact OD1-CD 3.45Å; N463-R491 PolarHBondContact OD1-NH1 3.25Å; N463-I609 HydrophobicContact CB-CG2 4.27Å |
| 464 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.5 | -178.6 | -169 | 58.2 | 0 | 0 | 0 | 109.3 | V375 I377 M451 L478 T489 R491 F492 V493 | V375-L464 HydrophobicContact CB-CD1 3.93Å; V375-L464 HydrophobicContact CG1-CD1 4.12Å; I377-L464 HydrophobicContact CD1-CD1 3.59Å; I377-L464 HydrophobicContact CG1-CD1 4.13Å; M451-L464 HydrophobicContact CE-CD1 3.64Å; M451-L464 HydrophobicContact CE-CD2 4.37Å; L464-L478 HydrophobicContact CD2-CD1 4.49Å; L464-T489 HydrophobicContact CB-CG2 3.86Å; L464-R491 PolarHBondContact N-O 2.95Å; L464-F492 HydrophobicContact CB-CD2 4.16Å; L464-F492 HydrophobicContact CD2-CD2 4.09Å; L464-F492 HydrophobicContact CD2-CE2 4.32Å; L464-F492 HydrophobicContact CG-CD2 4.16Å; L464-F492 CarbonylContact O-C 3.52Å; L464-F492 WeakPolarHBondContact O-CA 3.44Å; L464-V493 PolarHBondContact O-N 3.34Å |
| 465 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.8 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | T374 V375 F376 I377 F387 V493 I495 L605 I609 | T374-V465 HydrophobicContact CG2-CG2 3.63Å; V375-V465 PolarHBondContact O-N 3.13Å; F376-V465 CarbonylContact C-O 3.55Å; F376-V465 VanDerWaalsContact CA-O 3.26Å; F376-V465 WeakPolarHBondContact CA-O 3.47Å; F376-V465 HydrophobicContact CD1-CB 3.78Å; F376-V465 HydrophobicContact CD1-CG1 3.8Å; F376-V465 HydrophobicContact CE1-CB 3.8Å; F376-V465 HydrophobicContact CE1-CG1 3.71Å; F376-V465 HydrophobicContact CE1-CG2 4.13Å; F376-V465 HydrophobicContact CG-CB 4.4Å; F376-V465 HydrophobicContact CZ-CB 4.41Å; F376-V465 HydrophobicContact CZ-CG2 4.32Å; I377-V465 PolarHBondContact N-O 3.43Å; F387-V465 HydrophobicContact CE1-CG1 4.21Å; F387-V465 HydrophobicContact CZ-CG1 4.35Å; V465-V493 HydrophobicContact CB-CB 4.41Å; V465-V493 HydrophobicContact CG1-CB 4.26Å; V465-V493 HydrophobicContact CG2-CB 4.09Å; V465-V493 HydrophobicContact CG2-CG2 4.01Å; V465-I495 HydrophobicContact CG1-CD1 3.73Å; V465-L605 HydrophobicContact CG1-CD2 4.29Å; V465-L605 HydrophobicContact CG2-CD2 4.37Å; V465-I609 HydrophobicContact CG2-CD1 3.65Å |
| 466 | S | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 143.9 | -169.8 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | I377 G470 G471 S474 F492 V493 I495 | I377-S466 CarbonylContact O-C 3.53Å; I377-S466 WeakPolarHBondContact O-CA 3.34Å; S466-G470 WeakPolarHBondContact CB-O 3.29Å; S466-G471 VanDerWaalsContact OG-CA 3.27Å; S466-G471 WeakPolarHBondContact OG-CA 3.35Å; S466-S474 WeakPolarHBondContact CB-OG 3.34Å; S466-F492 VanDerWaalsContact OG-CE2 3.28Å; S466-F492 WeakPolarHBondContact OG-CE2 3.33Å; S466-V493 PolarHBondContact N-O 2.9Å; S466-V493 PolarHBondContact OG-O 3.02Å; S466-V493 VanDerWaalsContact OG-O 3.1Å; S466-I495 PolarHBondContact O-N 2.92Å |
| 467 | H | 96.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 6% | 0.06 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.8 | -176.6 | -178.2 | -113.1 | 0 | 0 | 0 | 111.6 | I377 H378 G379 F387 M469 G470 I495 H592 I595 T596 | I377-H467 PolarHBondContact O-N 2.88Å; H378-H467 CarbonylContact C-O 3.56Å; G379-H467 WeakPolarHBondContact CA-O 3.28Å; G379-H467 PolarHBondContact N-O 2.82Å; G379-H467 VanDerWaalsContact N-O 3.15Å; F387-H467 HydrophobicContact CE2-CB 4.11Å; F387-H467 HydrophobicContact CZ-CB 3.71Å; H467-M469 PolarHBondContact O-N 3.39Å; H467-G470 WeakPolarHBondContact O-CA 3.41Å; H467-G470 PolarHBondContact O-N 3.34Å; H467-I495 CarbonylContact C-O 3.52Å; H467-I495 VanDerWaalsContact CA-O 3.29Å; H467-I495 WeakPolarHBondContact CA-O 3.28Å; H467-I495 PolarHBondContact CD2-O 2.84Å; H467-I495 VanDerWaalsContact CD2-O 3.28Å; H467-H592 AromaticContact CE1-NE2 3.84Å; H467-H592 PolarHBondContact CE1-O 3.43Å; H467-H592 VanDerWaalsContact CE1-O 3.29Å; H467-H592 PolarHBondContact NE2-O 2.92Å; H467-H592 VanDerWaalsContact NE2-O 3.1Å; H467-I595 WeakPolarHBondContact NE2-CG2 3.29Å; H467-T596 HydrophobicContact CB-CG2 4.13Å |
| 468 | S | 93.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 8% | 0.077 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -132.1 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | G470 G471 I495 S496 H592 | S468-G470 PolarHBondContact O-N 2.8Å; S468-G470 VanDerWaalsContact O-N 3.12Å; S468-G471 WeakPolarHBondContact O-CA 3.21Å; S468-G471 PolarHBondContact O-N 3.23Å; S468-I495 PolarHBondContact N-O 3.37Å; S468-S496 WeakPolarHBondContact CA-O 3.42Å; S468-H592 VanDerWaalsContact CB-NE2 3.31Å; S468-H592 WeakPolarHBondContact CB-NE2 3.4Å; S468-H592 PolarHBondContact OG-CE1 3.5Å; S468-H592 PolarHBondContact OG-NE2 3.47Å |
| 469 | M | 91.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -53.4 | -32.5 | 176.3 | -176.7 | 163.4 | 79.6 | 0 | 0 | 113.5 | Y380 V437 E440 Q443 H467 G471 V472 S473 I504 A505 | Y380-M469 HydrophobicContact CD2-CE 3.84Å; Y380-M469 HydrophobicContact CG-CE 4.16Å; V437-M469 WeakPolarHBondContact O-CE 3.41Å; E440-M469 HydrophobicContact CB-CG 4.3Å; Q443-M469 HydrophobicContact CG-CE 4.42Å; H467-M469 PolarHBondContact O-N 3.39Å; M469-G471 PolarHBondContact O-N 2.85Å; M469-G471 VanDerWaalsContact O-N 3.14Å; M469-V472 WeakPolarHBondContact O-CB 3.44Å; M469-V472 PolarHBondContact O-N 3.15Å; M469-S473 PolarHBondContact O-N 3.44Å; M469-S473 PolarHBondContact O-OG 3.29Å; M469-I504 HydrophobicContact CB-CG2 3.9Å; M469-I504 HydrophobicContact CG-CG2 3.63Å; M469-I504 HydrophobicContact SD-CG2 4.01Å; M469-A505 HydrophobicContact CE-CB 4.33Å; M469-A505 HydrophobicContact SD-CB 3.7Å |
| 470 | G | 94.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.7 | -29.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H378 S466 H467 S468 S474 | H378-G470 VanDerWaalsContact O-CA 3.28Å; H378-G470 WeakPolarHBondContact O-CA 3.1Å; S466-G470 WeakPolarHBondContact CB-O 3.29Å; H467-G470 WeakPolarHBondContact O-CA 3.41Å; H467-G470 PolarHBondContact O-N 3.34Å; S468-G470 PolarHBondContact O-N 2.8Å; S468-G470 VanDerWaalsContact O-N 3.12Å; G470-S474 WeakPolarHBondContact O-CB 3.47Å; G470-S474 PolarHBondContact O-N 2.8Å; G470-S474 PolarHBondContact O-OG 2.79Å |
| 471 | G | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -72.5 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S466 S468 M469 S474 L475 | S466-G471 VanDerWaalsContact OG-CA 3.27Å; S466-G471 WeakPolarHBondContact OG-CA 3.35Å; S468-G471 WeakPolarHBondContact O-CA 3.21Å; S468-G471 PolarHBondContact O-N 3.23Å; M469-G471 PolarHBondContact O-N 2.85Å; M469-G471 VanDerWaalsContact O-N 3.14Å; G471-S474 PolarHBondContact O-N 3.34Å; G471-L475 PolarHBondContact O-N 3.38Å |
| 472 | V | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.1 | -51.5 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | E440 M469 S474 L475 R476 A497 P498 F499 I504 I527 F531 | E440-V472 HydrophobicContact CB-CG1 4.12Å; E440-V472 HydrophobicContact CG-CG1 3.85Å; M469-V472 WeakPolarHBondContact O-CB 3.44Å; M469-V472 PolarHBondContact O-N 3.15Å; V472-S474 VanDerWaalsContact C-N 3.3Å; V472-S474 PolarHBondContact O-N 3.41Å; V472-L475 PolarHBondContact O-N 3.21Å; V472-R476 PolarHBondContact O-N 3.31Å; V472-A497 HydrophobicContact CG2-CB 4.42Å; V472-P498 HydrophobicContact CG2-CG 4.1Å; V472-F499 HydrophobicContact CG2-CD1 4.21Å; V472-F499 HydrophobicContact CG2-CE1 4.42Å; V472-I504 HydrophobicContact CB-CG2 4.16Å; V472-I504 HydrophobicContact CG1-CD1 3.96Å; V472-I504 HydrophobicContact CG1-CG2 4.32Å; V472-I504 HydrophobicContact CG2-CG2 3.88Å; V472-I527 HydrophobicContact CG1-CD1 4.01Å; V472-I527 HydrophobicContact CG1-CG1 4.09Å; V472-F531 HydrophobicContact CG1-CE2 4.09Å; V472-F531 HydrophobicContact CG1-CZ 3.73Å |
| 473 | S | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 178.1 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | Q443 S444 M469 R476 Y477 | Q443-S473 WeakPolarHBondContact CB-OG 3.49Å; Q443-S473 PolarHBondContact OE1-OG 2.72Å; S444-S473 VanDerWaalsContact CB-O 3.29Å; S444-S473 WeakPolarHBondContact CB-O 3.31Å; M469-S473 PolarHBondContact O-N 3.44Å; M469-S473 PolarHBondContact O-OG 3.29Å; S473-R476 PolarHBondContact O-N 3.27Å; S473-Y477 WeakPolarHBondContact O-CB 3.36Å; S473-Y477 PolarHBondContact O-N 2.91Å |
| 474 | S | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 176.2 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | S466 G470 G471 V472 Y477 L478 | S466-S474 WeakPolarHBondContact CB-OG 3.34Å; G470-S474 WeakPolarHBondContact O-CB 3.47Å; G470-S474 PolarHBondContact O-N 2.8Å; G470-S474 PolarHBondContact O-OG 2.79Å; G471-S474 PolarHBondContact O-N 3.34Å; V472-S474 VanDerWaalsContact C-N 3.3Å; V472-S474 PolarHBondContact O-N 3.41Å; S474-Y477 WeakPolarHBondContact O-CB 3.3Å; S474-Y477 PolarHBondContact O-N 2.86Å; S474-L478 WeakPolarHBondContact O-CG 3.41Å; S474-L478 PolarHBondContact O-N 2.81Å |
| 475 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 176.3 | -177.8 | 59.3 | 0 | 0 | 0 | 111 | G471 V472 Y477 L478 L479 F492 F499 F531 M535 L538 L569 F573 | G471-L475 PolarHBondContact O-N 3.38Å; V472-L475 PolarHBondContact O-N 3.21Å; L475-Y477 VanDerWaalsContact C-N 3.28Å; L475-Y477 PolarHBondContact O-N 3.3Å; L475-L478 WeakPolarHBondContact O-CB 3.44Å; L475-L478 PolarHBondContact O-N 2.84Å; L475-L478 VanDerWaalsContact O-N 3.08Å; L475-L479 HydrophobicContact CD1-CD1 4.19Å; L475-L479 HydrophobicContact CD1-CG 4.28Å; L475-L479 HydrophobicContact CG-CD1 4.02Å; L475-L479 VanDerWaalsContact O-CG 3.29Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 2.63Å; L475-L479 VanDerWaalsContact O-N 3.1Å; L475-F492 HydrophobicContact CB-CE1 4.25Å; L475-F492 HydrophobicContact CB-CZ 4.12Å; L475-F492 HydrophobicContact CD1-CE1 4.27Å; L475-F499 HydrophobicContact CB-CE1 4.08Å; L475-F499 HydrophobicContact CD2-CD1 4Å; L475-F499 HydrophobicContact CD2-CE1 3.56Å; L475-F499 HydrophobicContact CD2-CZ 4.11Å; L475-F499 HydrophobicContact CG-CE1 4.49Å; L475-F531 HydrophobicContact CB-CE1 3.97Å; L475-F531 HydrophobicContact CB-CZ 4.24Å; L475-F531 HydrophobicContact CD2-CD1 3.68Å; L475-F531 HydrophobicContact CD2-CD2 4.34Å; L475-F531 HydrophobicContact CD2-CE1 3.59Å; L475-F531 HydrophobicContact CD2-CE2 4.25Å; L475-F531 HydrophobicContact CD2-CG 4.08Å; L475-F531 HydrophobicContact CD2-CZ 3.89Å; L475-F531 HydrophobicContact CG-CD1 3.93Å; L475-F531 HydrophobicContact CG-CE1 3.61Å; L475-F531 HydrophobicContact CG-CZ 4.21Å; L475-M535 HydrophobicContact CD2-CE 4.41Å; L475-L538 HydrophobicContact CD1-CD1 4.01Å; L475-L569 HydrophobicContact CD2-CD1 3.4Å; L475-F573 HydrophobicContact CD1-CE1 4.1Å; L475-F573 HydrophobicContact CD1-CZ 4.29Å; L475-F573 HydrophobicContact CD2-CE1 4.46Å; L475-F573 HydrophobicContact CD2-CZ 3.95Å |
| 476 | R | 97.2 | Very high | 96 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.9 | -44.1 | 172.6 | -179.1 | 176.7 | -77.3 | -91.8 | 13.1 | 111 | E440 S444 V472 S473 L478 L479 E480 Y530 | E440-R476 IonicContact OE1-CZ 3.02Å; E440-R476 IonicContact OE1-NE 3.25Å; E440-R476 PolarHBondContact OE1-NE 3.45Å; E440-R476 IonicContact OE1-NH2 2.66Å; E440-R476 PolarHBondContact OE1-NH2 2.95Å; S444-R476 VanDerWaalsContact OG-CD 3.32Å; S444-R476 WeakPolarHBondContact OG-CD 3.38Å; V472-R476 PolarHBondContact O-N 3.31Å; S473-R476 PolarHBondContact O-N 3.27Å; R476-L478 VanDerWaalsContact C-N 3.34Å; R476-L478 PolarHBondContact O-N 3.04Å; R476-L479 PolarHBondContact O-N 2.81Å; R476-L479 VanDerWaalsContact O-N 3.12Å; R476-E480 HydrophobicContact CG-CG 4.43Å; R476-E480 IonicContact CZ-OE1 3.59Å; R476-E480 IonicContact NH1-OE1 3.71Å; R476-E480 PolarHBondContact NH1-OE1 2.75Å; R476-E480 PolarHBondContact O-N 2.82Å; R476-Y530 HydrophobicContact CB-CE1 4.49Å; R476-Y530 HydrophobicContact CG-CE1 4.3Å; R476-Y530 VanDerWaalsContact NH1-CE2 3.3Å |
| 477 | Y | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.5 | -46.9 | 173.5 | 155.6 | -97.7 | 0 | 0 | 0 | 112.9 | I447 D448 M451 S473 S474 L475 L479 E480 Y481 A482 T486 | I447-Y477 HydrophobicContact CB-CG 4.31Å; I447-Y477 HydrophobicContact CG2-CD1 3.81Å; I447-Y477 HydrophobicContact CG2-CD2 4.02Å; I447-Y477 HydrophobicContact CG2-CE1 4.43Å; I447-Y477 HydrophobicContact CG2-CG 3.59Å; D448-Y477 HydrophobicContact CB-CD2 4Å; D448-Y477 HydrophobicContact CB-CE2 4.23Å; M451-Y477 HydrophobicContact CB-CE2 3.96Å; M451-Y477 VanDerWaalsContact CB-OH 3.32Å; M451-Y477 WeakPolarHBondContact CB-OH 3.45Å; M451-Y477 HydrophobicContact CE-CE1 4.31Å; M451-Y477 HydrophobicContact CG-CE1 3.9Å; M451-Y477 HydrophobicContact CG-CE2 3.91Å; M451-Y477 VanDerWaalsContact CG-CZ 3.47Å; M451-Y477 WeakPolarHBondContact CG-OH 3.49Å; S473-Y477 WeakPolarHBondContact O-CB 3.36Å; S473-Y477 PolarHBondContact O-N 2.91Å; S474-Y477 WeakPolarHBondContact O-CB 3.3Å; S474-Y477 PolarHBondContact O-N 2.86Å; L475-Y477 VanDerWaalsContact C-N 3.28Å; L475-Y477 PolarHBondContact O-N 3.3Å; Y477-L479 PolarHBondContact O-N 2.88Å; Y477-E480 PolarHBondContact O-N 2.76Å; Y477-Y481 HydrophobicContact CD2-CD2 4.4Å; Y477-Y481 PolarHBondContact O-N 2.89Å; Y477-A482 HydrophobicContact CE1-CB 4.15Å; Y477-A482 HydrophobicContact CE2-CB 4.39Å; Y477-A482 PolarHBondContact O-N 3.34Å; Y477-T486 WeakPolarHBondContact OH-CB 3.35Å |
| 478 | L | 98.2 | Very high | 96 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -28.1 | 179.5 | -70.8 | 169.7 | 0 | 0 | 0 | 113.1 | L464 S474 L475 R476 A482 T489 F492 L538 I542 | L464-L478 HydrophobicContact CD2-CD1 4.49Å; S474-L478 WeakPolarHBondContact O-CG 3.41Å; S474-L478 PolarHBondContact O-N 2.81Å; L475-L478 WeakPolarHBondContact O-CB 3.44Å; L475-L478 PolarHBondContact O-N 2.84Å; L475-L478 VanDerWaalsContact O-N 3.08Å; R476-L478 VanDerWaalsContact C-N 3.34Å; R476-L478 PolarHBondContact O-N 3.04Å; L478-A482 HydrophobicContact CD2-CB 4.27Å; L478-T489 HydrophobicContact CD2-CG2 4.19Å; L478-F492 HydrophobicContact CD1-CB 4.31Å; L478-F492 HydrophobicContact CD1-CD1 4.32Å; L478-F492 HydrophobicContact CD1-CD2 4.15Å; L478-F492 HydrophobicContact CD1-CG 4.01Å; L478-L538 HydrophobicContact CB-CD1 4.37Å; L478-I542 HydrophobicContact CD1-CD1 3.79Å; L478-I542 HydrophobicContact CD2-CD1 4.36Å |
| 479 | L | 97.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -93.4 | -26 | -176.4 | -61.5 | 175.1 | 0 | 0 | 0 | 113.5 | L475 R476 Y477 F531 A534 M535 R537 L538 | L475-L479 HydrophobicContact CD1-CD1 4.19Å; L475-L479 HydrophobicContact CD1-CG 4.28Å; L475-L479 HydrophobicContact CG-CD1 4.02Å; L475-L479 VanDerWaalsContact O-CG 3.29Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 2.63Å; L475-L479 VanDerWaalsContact O-N 3.1Å; R476-L479 PolarHBondContact O-N 2.81Å; R476-L479 VanDerWaalsContact O-N 3.12Å; Y477-L479 PolarHBondContact O-N 2.88Å; L479-F531 HydrophobicContact CD1-CD1 3.58Å; L479-F531 HydrophobicContact CD1-CE1 4.11Å; L479-A534 HydrophobicContact CB-CB 4.16Å; L479-A534 HydrophobicContact CD1-CB 3.96Å; L479-M535 HydrophobicContact CD2-SD 4.24Å; L479-R537 HydrophobicContact CD2-CB 4.49Å; L479-R537 WeakPolarHBondContact O-CD 3.31Å; L479-L538 HydrophobicContact CD2-CB 3.87Å; L479-L538 HydrophobicContact CD2-CD1 4.09Å |
| 480 | E | 95.6 | Very high | 96.5 | Very high | 70 Ų | 70 | 34.2 Ų | 34.2 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -107 | -40.2 | -176.6 | -68 | -171.3 | -167.4 | 0 | 0 | 114.6 | R476 Y477 Y530 | R476-E480 HydrophobicContact CG-CG 4.43Å; R476-E480 IonicContact CZ-OE1 3.59Å; R476-E480 IonicContact NH1-OE1 3.71Å; R476-E480 PolarHBondContact NH1-OE1 2.75Å; R476-E480 PolarHBondContact O-N 2.82Å; Y477-E480 PolarHBondContact O-N 2.76Å; E480-Y530 WeakPolarHBondContact CG-OH 3.41Å; E480-Y530 WeakPolarHBondContact OE1-CE2 3.46Å; E480-Y530 PolarHBondContact OE1-OH 2.83Å |
| 481 | Y | 96.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -26.1 | -166.6 | -54.3 | -72 | 0 | 0 | 0 | 113.9 | S444 E445 D448 Y477 G483 | S444-Y481 WeakPolarHBondContact OG-CE2 3.26Å; E445-Y481 HydrophobicContact CG-CE2 4.34Å; E445-Y481 VanDerWaalsContact CG-OH 3.25Å; E445-Y481 WeakPolarHBondContact CG-OH 3.31Å; D448-Y481 HydrophobicContact CB-CD1 4.43Å; D448-Y481 HydrophobicContact CB-CD2 4.18Å; D448-Y481 HydrophobicContact CB-CG 3.89Å; Y477-Y481 HydrophobicContact CD2-CD2 4.4Å; Y477-Y481 PolarHBondContact O-N 2.89Å; Y481-G483 PolarHBondContact O-N 2.81Å |
| 482 | A | 95.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 28% | 0.281 | 18% | 0.183 | S | C | . | . | trans | -62.6 | 129.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y477 L478 | Y477-A482 HydrophobicContact CE1-CB 4.15Å; Y477-A482 HydrophobicContact CE2-CB 4.39Å; Y477-A482 PolarHBondContact O-N 3.34Å; L478-A482 HydrophobicContact CD2-CB 4.27Å | ||
| 483 | G | 93.3 | Very high | 96.9 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 44% | 0.443 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 161 | -139 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y481 R485 T486 | Y481-G483 PolarHBondContact O-N 2.81Å; G483-R485 PolarHBondContact O-N 2.93Å; G483-T486 PolarHBondContact N-OG1 3.47Å; G483-T486 PolarHBondContact O-N 3.25Å; G483-T486 VanDerWaalsContact O-N 3.14Å; G483-T486 PolarHBondContact O-OG1 3.46Å |
| 484 | D | 91.7 | Very high | 97 | Very high | 150 Ų | 150 | 36.3 Ų | 36.3 | 80% | 0.802 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 129.9 | -178.3 | -75.9 | -8.4 | 0 | 0 | 0 | 112.1 | T486 | D484-T486 VanDerWaalsContact C-N 3.3Å; D484-T486 PolarHBondContact O-N 2.9Å |
| 485 | R | 95.9 | Very high | 97 | Very high | 182 Ų | 182 | 36.3 Ų | 36.3 | 69% | 0.687 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 29 | 179.9 | -47.9 | 175.1 | -178.5 | 176.4 | 0.4 | 114.6 | Y455 G483 | Y455-R485 VanDerWaalsContact CB-O 3.28Å; Y455-R485 WeakPolarHBondContact CB-O 3.28Å; Y455-R485 HydrophobicContact CD1-CB 3.94Å; Y455-R485 HydrophobicContact CE1-CB 3.95Å; Y455-R485 HydrophobicContact CE1-CG 4.21Å; Y455-R485 VanDerWaalsContact CG-C 3.42Å; Y455-R485 HydrophobicContact CG-CB 4.46Å; G483-R485 PolarHBondContact O-N 2.93Å |
| 486 | T | 97.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -125.2 | 154 | 165.2 | 64.4 | 0 | 0 | 0 | 0 | 109.6 | M451 R452 Y477 G483 D484 | M451-T486 HydrophobicContact CB-CG2 4.47Å; R452-T486 HydrophobicContact CG-CG2 4.06Å; Y477-T486 WeakPolarHBondContact OH-CB 3.35Å; G483-T486 PolarHBondContact N-OG1 3.47Å; G483-T486 PolarHBondContact O-N 3.25Å; G483-T486 VanDerWaalsContact O-N 3.14Å; G483-T486 PolarHBondContact O-OG1 3.46Å; D484-T486 VanDerWaalsContact C-N 3.3Å; D484-T486 PolarHBondContact O-N 2.9Å |
| 487 | P | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | trans | -67.4 | 142.6 | 174.6 | -13.9 | 28.8 | 0 | 0 | 0 | 110.4 | M451 L454 V459 F460 V462 T489 | M451-P487 WeakPolarHBondContact O-CD 3.21Å; M451-P487 HydrophobicContact SD-CG 4.47Å; L454-P487 HydrophobicContact CB-CG 4.01Å; V459-P487 HydrophobicContact CG1-CB 4.41Å; V459-P487 HydrophobicContact CG1-CG 4.39Å; V459-P487 WeakPolarHBondContact O-CG 3.25Å; F460-P487 WeakPolarHBondContact O-CA 3.45Å; V462-P487 HydrophobicContact CB-CB 4.44Å; V462-P487 HydrophobicContact CG1-CB 3.75Å; V462-P487 HydrophobicContact CG1-CG 4.1Å; V462-P487 HydrophobicContact CG2-CB 4.07Å; P487-T489 PolarHBondContact O-N 2.93Å | ||
| 488 | I | 97.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 35.3 Ų | 35.3 | 59% | 0.585 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 125.4 | 173.5 | -61 | 173.5 | 0 | 0 | 0 | 108.6 | F460 R461 V462 E490 | F460-I488 PolarHBondContact O-N 2.84Å; R461-I488 CarbonylContact C-O 3.6Å; R461-I488 VanDerWaalsContact CA-O 3.31Å; R461-I488 WeakPolarHBondContact CA-O 3.09Å; V462-I488 PolarHBondContact N-O 2.65Å; I488-E490 PolarHBondContact O-N 2.94Å |
| 489 | T | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.3 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | V462 L464 L478 P487 R491 I542 | V462-T489 WeakPolarHBondContact O-CA 3.47Å; L464-T489 HydrophobicContact CB-CG2 3.86Å; L478-T489 HydrophobicContact CD2-CG2 4.19Å; P487-T489 PolarHBondContact O-N 2.93Å; T489-R491 WeakPolarHBondContact CG2-O 3.12Å; T489-I542 HydrophobicContact CG2-CD1 3.94Å; T489-I542 HydrophobicContact CG2-CG1 4.45Å |
| 490 | E | 97.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 35 Ų | 35 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -38.7 | -179.7 | -70.8 | -179.2 | -143.1 | 0 | 0 | 113.5 | R461 V462 I488 R543 | R461-E490 IonicContact CZ-OE1 3.44Å; R461-E490 IonicContact NE-OE1 3.85Å; R461-E490 PolarHBondContact NE-OE1 2.78Å; R461-E490 IonicContact NH2-OE1 3.34Å; R461-E490 PolarHBondContact NH2-OE1 3.46Å; R461-E490 IonicContact NH2-OE2 2.73Å; R461-E490 PolarHBondContact NH2-OE2 3.32Å; R461-E490 VanDerWaalsContact NH2-OE2 3.09Å; V462-E490 PolarHBondContact O-N 3.31Å; I488-E490 PolarHBondContact O-N 2.94Å; E490-R543 PolarHBondContact O-N 3.43Å |
| 491 | R | 98.4 | Very high | 96 | Very high | 44 Ų | 44 | 32.1 Ų | 32.1 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.8 | -177.5 | -65.6 | 176.1 | -173.9 | 70.2 | -1.9 | 108.4 | N463 L464 T489 R543 F608 | N463-R491 WeakPolarHBondContact CA-O 3.49Å; N463-R491 HydrophobicContact CB-CB 4.21Å; N463-R491 WeakPolarHBondContact OD1-CB 2.92Å; N463-R491 WeakPolarHBondContact OD1-CD 3.45Å; N463-R491 PolarHBondContact OD1-NH1 3.25Å; L464-R491 PolarHBondContact N-O 2.95Å; T489-R491 WeakPolarHBondContact CG2-O 3.12Å; R491-R543 CarbonylContact C-O 3.49Å; R491-R543 VanDerWaalsContact CA-O 3.25Å; R491-R543 WeakPolarHBondContact CA-O 3.3Å; R491-R543 HydrophobicContact CG-CB 4.31Å; R491-F608 HydrophobicContact CB-CD1 4.48Å; R491-F608 HydrophobicContact CB-CE1 3.83Å; R491-F608 WeakPolarHBondContact CD-O 3.32Å; R491-F608 HydrophobicContact CG-CE1 4.08Å; R491-F608 HydrophobicContact CG-CZ 4.48Å; R491-F608 PolarHBondContact NE-O 2.84Å |
| 492 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.6 | 172.8 | 173.5 | -126 | 0 | 0 | 0 | 108.6 | L464 S466 L475 L478 A494 F499 I542 R543 V544 L545 F573 | L464-F492 HydrophobicContact CB-CD2 4.16Å; L464-F492 HydrophobicContact CD2-CD2 4.09Å; L464-F492 HydrophobicContact CD2-CE2 4.32Å; L464-F492 HydrophobicContact CG-CD2 4.16Å; L464-F492 CarbonylContact O-C 3.52Å; L464-F492 WeakPolarHBondContact O-CA 3.44Å; S466-F492 VanDerWaalsContact OG-CE2 3.28Å; S466-F492 WeakPolarHBondContact OG-CE2 3.33Å; L475-F492 HydrophobicContact CB-CE1 4.25Å; L475-F492 HydrophobicContact CB-CZ 4.12Å; L475-F492 HydrophobicContact CD1-CE1 4.27Å; L478-F492 HydrophobicContact CD1-CB 4.31Å; L478-F492 HydrophobicContact CD1-CD1 4.32Å; L478-F492 HydrophobicContact CD1-CD2 4.15Å; L478-F492 HydrophobicContact CD1-CG 4.01Å; F492-A494 HydrophobicContact CE1-CB 3.99Å; F492-A494 HydrophobicContact CZ-CB 3.89Å; F492-F499 HydrophobicContact CE1-CZ 4.44Å; F492-I542 HydrophobicContact CB-CD1 3.7Å; F492-I542 HydrophobicContact CB-CG1 4.19Å; F492-R543 PolarHBondContact N-O 2.98Å; F492-V544 HydrophobicContact CB-CG2 4.48Å; F492-V544 HydrophobicContact CD1-CG1 4.14Å; F492-V544 HydrophobicContact CD1-CG2 4.35Å; F492-V544 CarbonylContact O-C 3.39Å; F492-V544 WeakPolarHBondContact O-CA 3.34Å; F492-L545 PolarHBondContact O-N 2.84Å; F492-F573 HydrophobicContact CE1-CZ 4.32Å |
| 493 | V | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.3 | 174 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | L464 V465 S466 I495 L545 V547 L605 F608 I609 | L464-V493 PolarHBondContact O-N 3.34Å; V465-V493 HydrophobicContact CB-CB 4.41Å; V465-V493 HydrophobicContact CG1-CB 4.26Å; V465-V493 HydrophobicContact CG2-CB 4.09Å; V465-V493 HydrophobicContact CG2-CG2 4.01Å; S466-V493 PolarHBondContact N-O 2.9Å; S466-V493 PolarHBondContact OG-O 3.02Å; S466-V493 VanDerWaalsContact OG-O 3.1Å; V493-I495 HydrophobicContact CG1-CG1 3.98Å; V493-L545 VanDerWaalsContact CA-O 3.26Å; V493-L545 WeakPolarHBondContact CA-O 3.44Å; V493-L545 HydrophobicContact CG1-CB 4.18Å; V493-L545 HydrophobicContact CG1-CD2 3.89Å; V493-L545 HydrophobicContact CG1-CG 4.05Å; V493-L545 HydrophobicContact CG2-CB 4.2Å; V493-L545 HydrophobicContact CG2-CD2 4.35Å; V493-V547 HydrophobicContact CG1-CG2 4.1Å; V493-L605 HydrophobicContact CB-CD2 4.22Å; V493-L605 HydrophobicContact CG1-CD2 3.76Å; V493-L605 HydrophobicContact CG2-CD2 3.97Å; V493-F608 HydrophobicContact CG2-CD1 3.76Å; V493-F608 HydrophobicContact CG2-CE1 3.88Å; V493-I609 HydrophobicContact CG2-CD1 4.22Å |
| 494 | A | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.4 | F492 A497 F499 L545 V547 | F492-A494 HydrophobicContact CE1-CB 3.99Å; F492-A494 HydrophobicContact CZ-CB 3.89Å; A494-A497 HydrophobicContact CB-CB 4.02Å; A494-F499 HydrophobicContact CB-CE2 3.83Å; A494-F499 HydrophobicContact CB-CZ 3.64Å; A494-L545 PolarHBondContact N-O 2.89Å; A494-V547 PolarHBondContact O-N 3.41Å |
| 495 | I | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.2 | 179.7 | -52.4 | 163.4 | 0 | 0 | 0 | 107.5 | F387 V465 S466 H467 S468 V493 A497 V547 I595 L601 | F387-I495 HydrophobicContact CE1-CD1 4.12Å; F387-I495 HydrophobicContact CZ-CD1 4.4Å; V465-I495 HydrophobicContact CG1-CD1 3.73Å; S466-I495 PolarHBondContact O-N 2.92Å; H467-I495 CarbonylContact C-O 3.52Å; H467-I495 VanDerWaalsContact CA-O 3.29Å; H467-I495 WeakPolarHBondContact CA-O 3.28Å; H467-I495 PolarHBondContact CD2-O 2.84Å; H467-I495 VanDerWaalsContact CD2-O 3.28Å; S468-I495 PolarHBondContact N-O 3.37Å; V493-I495 HydrophobicContact CG1-CG1 3.98Å; I495-A497 PolarHBondContact O-N 3.27Å; I495-V547 CarbonylContact C-O 3.51Å; I495-V547 HydrophobicContact CB-CB 4.48Å; I495-V547 HydrophobicContact CG1-CB 4.34Å; I495-V547 HydrophobicContact CG1-CG2 4.43Å; I495-V547 HydrophobicContact CG2-CB 4.31Å; I495-V547 HydrophobicContact CG2-CG1 4.43Å; I495-I595 HydrophobicContact CG2-CD1 3.87Å; I495-I595 HydrophobicContact CG2-CG1 4.12Å; I495-I595 HydrophobicContact CG2-CG2 3.69Å; I495-L601 HydrophobicContact CD1-CD1 4.04Å; I495-L601 HydrophobicContact CD1-CD2 3.87Å; I495-L601 HydrophobicContact CG1-CD1 4.13Å; I495-L601 HydrophobicContact CG2-CD1 4.46Å; I495-L601 HydrophobicContact CG2-CD2 4.37Å |
| 496 | S | 96.2 | Very high | 89 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 50.2 | 38.8 | -178.9 | -67.9 | 0 | 0 | 0 | 0 | 113.4 | S468 P498 V547 D558 | S468-S496 WeakPolarHBondContact CA-O 3.42Å; S496-P498 WeakPolarHBondContact O-CD 3.42Å; S496-V547 PolarHBondContact N-O 2.9Å; S496-D558 WeakPolarHBondContact CB-OD2 3.28Å; S496-D558 PolarHBondContact OG-OD2 2.85Å |
| 497 | A | 96.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -81.7 | 119.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V472 A494 I495 F499 A566 | V472-A497 HydrophobicContact CG2-CB 4.42Å; A494-A497 HydrophobicContact CB-CB 4.02Å; I495-A497 PolarHBondContact O-N 3.27Å; A497-F499 VanDerWaalsContact C-N 3.35Å; A497-F499 HydrophobicContact CB-CD1 4.35Å; A497-F499 HydrophobicContact CB-CD2 4.23Å; A497-F499 HydrophobicContact CB-CE1 3.85Å; A497-F499 HydrophobicContact CB-CE2 3.72Å; A497-F499 HydrophobicContact CB-CZ 3.51Å; A497-F499 WeakPolarHBondContact O-CD2 3.15Å; A497-F499 PolarHBondContact O-N 3.14Å; A497-A566 WeakPolarHBondContact O-CA 3.04Å | ||
| 498 | P | 94.1 | Very high | 85 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | trans | -78.3 | 78.2 | -175 | 31.5 | -37 | 0 | 0 | 0 | 112 | V472 S496 N500 D501 I504 V561 | V472-P498 HydrophobicContact CG2-CG 4.1Å; S496-P498 WeakPolarHBondContact O-CD 3.42Å; P498-N500 PolarHBondContact O-N 3.25Å; P498-D501 HydrophobicContact CB-CB 3.93Å; P498-D501 WeakPolarHBondContact CB-OD2 3.41Å; P498-I504 HydrophobicContact CG-CB 4.42Å; P498-I504 HydrophobicContact CG-CG2 3.94Å; P498-V561 HydrophobicContact CB-CG1 3.97Å; P498-V561 HydrophobicContact CB-CG2 4.01Å; P498-V561 HydrophobicContact CG-CG2 4.32Å | ||
| 499 | F | 95.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5.6 | -173.7 | -64.9 | -56.7 | 0 | 0 | 0 | 115.2 | V472 L475 F492 A494 A497 F531 A566 L569 F573 | V472-F499 HydrophobicContact CG2-CD1 4.21Å; V472-F499 HydrophobicContact CG2-CE1 4.42Å; L475-F499 HydrophobicContact CB-CE1 4.08Å; L475-F499 HydrophobicContact CD2-CD1 4Å; L475-F499 HydrophobicContact CD2-CE1 3.56Å; L475-F499 HydrophobicContact CD2-CZ 4.11Å; L475-F499 HydrophobicContact CG-CE1 4.49Å; F492-F499 HydrophobicContact CE1-CZ 4.44Å; A494-F499 HydrophobicContact CB-CE2 3.83Å; A494-F499 HydrophobicContact CB-CZ 3.64Å; A497-F499 VanDerWaalsContact C-N 3.35Å; A497-F499 HydrophobicContact CB-CD1 4.35Å; A497-F499 HydrophobicContact CB-CD2 4.23Å; A497-F499 HydrophobicContact CB-CE1 3.85Å; A497-F499 HydrophobicContact CB-CE2 3.72Å; A497-F499 HydrophobicContact CB-CZ 3.51Å; A497-F499 WeakPolarHBondContact O-CD2 3.15Å; A497-F499 PolarHBondContact O-N 3.14Å; F499-F531 HydrophobicContact CB-CE2 4.48Å; F499-F531 HydrophobicContact CD1-CD2 4.26Å; F499-F531 AromaticContact CD1-CE2 3.64Å; F499-F531 HydrophobicContact CD1-CE2 3.64Å; F499-F531 HydrophobicContact CD1-CZ 4.15Å; F499-F531 HydrophobicContact CE1-CE2 4.41Å; F499-A566 WeakPolarHBondContact CD2-O 3.16Å; F499-L569 HydrophobicContact CB-CD1 3.66Å; F499-L569 HydrophobicContact CB-CD2 4.26Å; F499-L569 HydrophobicContact CB-CG 3.6Å; F499-L569 HydrophobicContact CD1-CD1 3.62Å; F499-L569 HydrophobicContact CD1-CG 4.5Å; F499-L569 HydrophobicContact CD2-CD1 3.82Å; F499-L569 HydrophobicContact CD2-CG 4.11Å; F499-L569 HydrophobicContact CE1-CD1 4.15Å; F499-L569 HydrophobicContact CE2-CD1 4.32Å; F499-L569 HydrophobicContact CG-CD1 3.44Å; F499-L569 VanDerWaalsContact CG-CD1 3.44Å; F499-L569 HydrophobicContact CG-CG 3.86Å; F499-L569 HydrophobicContact CZ-CD1 4.46Å; F499-F573 HydrophobicContact CE2-CE2 4.31Å |
| 500 | N | 93.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.9 | 33.3 | 178.9 | -166 | 34.8 | 0 | 0 | 0 | 112.5 | P498 F512 P521 G523 K524 T525 Y528 S565 A568 | P498-N500 PolarHBondContact O-N 3.25Å; N500-F512 WeakPolarHBondContact O-CE1 3.22Å; N500-P521 WeakPolarHBondContact ND2-CB 3.09Å; N500-G523 PolarHBondContact ND2-O 3.42Å; N500-K524 WeakPolarHBondContact OD1-CA 3.41Å; N500-T525 VanDerWaalsContact C-OG1 3.25Å; N500-T525 WeakPolarHBondContact CA-OG1 3.15Å; N500-T525 WeakPolarHBondContact O-CG2 3.32Å; N500-T525 PolarHBondContact O-OG1 2.72Å; N500-T525 PolarHBondContact OD1-N 2.8Å; N500-T525 PolarHBondContact OD1-OG1 3.31Å; N500-Y528 HydrophobicContact CB-CD2 4.09Å; N500-Y528 WeakPolarHBondContact OD1-CB 3.29Å; N500-S565 PolarHBondContact N-OG 2.98Å; N500-S565 VanDerWaalsContact N-OG 3.09Å; N500-A568 HydrophobicContact CB-CB 3.44Å; N500-A568 VanDerWaalsContact CB-CB 3.44Å |
| 501 | D | 86.2 | Confident | 79.4 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | trans | -90 | 163.6 | 173.2 | -70 | 1.9 | 0 | 0 | 0 | 111.1 | P498 E503 T525 I527 S565 | P498-D501 HydrophobicContact CB-CB 3.93Å; P498-D501 WeakPolarHBondContact CB-OD2 3.41Å; D501-E503 WeakPolarHBondContact CB-O 3.21Å; D501-T525 VanDerWaalsContact O-CB 3.23Å; D501-T525 WeakPolarHBondContact O-CB 3.33Å; D501-T525 WeakPolarHBondContact O-CG2 3.5Å; D501-T525 PolarHBondContact O-OG1 3.29Å; D501-I527 WeakPolarHBondContact O-CG2 3.49Å; D501-S565 VanDerWaalsContact CG-OG 3.29Å; D501-S565 PolarHBondContact N-OG 3.26Å; D501-S565 WeakPolarHBondContact OD1-CB 3.43Å; D501-S565 PolarHBondContact OD1-OG 3.45Å | ||
| 502 | L | 77.3 | Confident | 78.2 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -79.4 | -39 | 172.1 | -71.6 | 173.8 | 0 | 0 | 0 | 110.9 | F512 T525 | L502-F512 HydrophobicContact CD1-CD2 3.72Å; L502-F512 HydrophobicContact CD1-CE2 3.37Å; L502-F512 HydrophobicContact CD1-CG 4.48Å; L502-F512 HydrophobicContact CD1-CZ 3.88Å; L502-F512 HydrophobicContact CD2-CZ 4.41Å; L502-F512 HydrophobicContact CG-CD1 4.46Å; L502-F512 HydrophobicContact CG-CD2 4.1Å; L502-F512 HydrophobicContact CG-CE1 4.12Å; L502-F512 HydrophobicContact CG-CE2 3.74Å; L502-F512 HydrophobicContact CG-CG 4.44Å; L502-F512 HydrophobicContact CG-CZ 3.73Å; L502-T525 HydrophobicContact CD2-CG2 3.81Å; L502-T525 HydrophobicContact CG-CG2 4.12Å |
| 503 | E | 71 | Confident | 77.2 | Confident | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 27% | 0.265 | S | S | . | . | trans | -126.7 | 128.2 | -179.6 | -72.1 | 165.1 | -173.1 | 0 | 0 | 107.8 | D501 E506 T508 | D501-E503 WeakPolarHBondContact CB-O 3.21Å; E503-E506 HydrophobicContact CB-CB 4.39Å; E503-T508 VanDerWaalsContact OE2-CG2 3.27Å; E503-T508 WeakPolarHBondContact OE2-CG2 3.34Å | ||
| 504 | I | 68.1 | Low | 76.7 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -100.3 | -20.2 | -167.8 | -64.8 | 171.8 | 0 | 0 | 0 | 111.5 | M469 V472 P498 I527 | M469-I504 HydrophobicContact CB-CG2 3.9Å; M469-I504 HydrophobicContact CG-CG2 3.63Å; M469-I504 HydrophobicContact SD-CG2 4.01Å; V472-I504 HydrophobicContact CB-CG2 4.16Å; V472-I504 HydrophobicContact CG1-CD1 3.96Å; V472-I504 HydrophobicContact CG1-CG2 4.32Å; V472-I504 HydrophobicContact CG2-CG2 3.88Å; P498-I504 HydrophobicContact CG-CB 4.42Å; P498-I504 HydrophobicContact CG-CG2 3.94Å; I504-I527 HydrophobicContact CD1-CB 3.94Å; I504-I527 HydrophobicContact CD1-CD1 3.96Å; I504-I527 HydrophobicContact CD1-CG1 3.64Å; I504-I527 HydrophobicContact CD1-CG2 4.1Å |
| 505 | A | 56 | Low | 76.3 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -116.9 | -1.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y380 T438 M469 | Y380-A505 HydrophobicContact CD1-CB 4.26Å; Y380-A505 WeakPolarHBondContact CD1-O 3.35Å; Y380-A505 HydrophobicContact CD2-CB 4.12Å; Y380-A505 WeakPolarHBondContact CE1-O 3.44Å; Y380-A505 HydrophobicContact CG-CB 3.93Å; T438-A505 HydrophobicContact CG2-CB 3.98Å; M469-A505 HydrophobicContact CE-CB 4.33Å; M469-A505 HydrophobicContact SD-CB 3.7Å |
| 506 | E | 54.7 | Low | 76.1 | Confident | 118 Ų | 118 | 62.7 Ų | 62.7 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | trans | -115.3 | 129 | -173.6 | -64 | -175.2 | -163.9 | 0 | 0 | 110.1 | E503 T508 | E503-E506 HydrophobicContact CB-CB 4.39Å; E506-T508 PolarHBondContact O-N 3.2Å; E506-T508 VanDerWaalsContact O-N 3.12Å | ||
| 507 | D | 56.9 | Low | 75.9 | Confident | 135 Ų | 135 | 65.3 Ų | 65.3 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | trans | -70.6 | 102.2 | 164.2 | -82.6 | -31 | 0 | 0 | 0 | 107.2 | S560 | D507-S560 VanDerWaalsContact OD1-CB 3.23Å; D507-S560 WeakPolarHBondContact OD1-CB 3.12Å; D507-S560 PolarHBondContact OD1-OG 3.04Å | ||
| 508 | T | 53.4 | Low | 75.7 | Confident | 55 Ų | 55 | 74 Ų | 74 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | trans | -84.2 | 148 | 178.4 | 50 | 0 | 0 | 0 | 0 | 110.5 | E503 E506 E510 | E503-T508 VanDerWaalsContact OE2-CG2 3.27Å; E503-T508 WeakPolarHBondContact OE2-CG2 3.34Å; E506-T508 PolarHBondContact O-N 3.2Å; E506-T508 VanDerWaalsContact O-N 3.12Å; T508-E510 PolarHBondContact O-N 2.89Å; T508-E510 PolarHBondContact OG1-O 3.25Å; T508-E510 VanDerWaalsContact OG1-O 3.05Å | ||
| 509 | E | 45.7 | Very low | 75.5 | Confident | 210 Ų | 210 | 83.1 Ų | 83.1 | 98% | 0.981 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -58.1 | -36 | 179.1 | -72.3 | -169.1 | 165 | 0 | 0 | 112.5 | ||
| 510 | E | 60.2 | Low | 75.3 | Confident | 168 Ų | 168 | 83.3 Ų | 83.3 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -110.8 | 121.2 | 173.8 | -70.2 | -169.4 | 169.6 | 0 | 0 | 110.1 | T508 F512 | T508-E510 PolarHBondContact O-N 2.89Å; T508-E510 PolarHBondContact OG1-O 3.25Å; T508-E510 VanDerWaalsContact OG1-O 3.05Å; E510-F512 PolarHBondContact O-N 2.82Å |
| 511 | I | 69.8 | Low | 75.3 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | trans | -62 | 106.8 | 175.7 | -57.2 | 176.8 | 0 | 0 | 0 | 109.1 | A513 S557 G559 | I511-A513 PolarHBondContact O-N 2.81Å; I511-S557 WeakPolarHBondContact CD1-OG 3.33Å; I511-G559 WeakPolarHBondContact CD1-O 3.31Å | ||
| 512 | F | 74.2 | Confident | 75.6 | Confident | 51 Ų | 51 | 89 Ų | 89 | 22% | 0.224 | 44% | 0.439 | C | S | . | . | trans | -65.6 | 128.5 | 179.7 | -176.4 | -91.8 | 0 | 0 | 0 | 110.7 | N500 L502 E510 Y514 T525 | N500-F512 WeakPolarHBondContact O-CE1 3.22Å; L502-F512 HydrophobicContact CD1-CD2 3.72Å; L502-F512 HydrophobicContact CD1-CE2 3.37Å; L502-F512 HydrophobicContact CD1-CG 4.48Å; L502-F512 HydrophobicContact CD1-CZ 3.88Å; L502-F512 HydrophobicContact CD2-CZ 4.41Å; L502-F512 HydrophobicContact CG-CD1 4.46Å; L502-F512 HydrophobicContact CG-CD2 4.1Å; L502-F512 HydrophobicContact CG-CE1 4.12Å; L502-F512 HydrophobicContact CG-CE2 3.74Å; L502-F512 HydrophobicContact CG-CG 4.44Å; L502-F512 HydrophobicContact CG-CZ 3.73Å; E510-F512 PolarHBondContact O-N 2.82Å; F512-Y514 AromaticContact CE1-CD2 3.71Å; F512-Y514 HydrophobicContact CE1-CD2 3.71Å; F512-Y514 AromaticContact CE1-CE2 3.94Å; F512-Y514 HydrophobicContact CE1-CE2 3.94Å; F512-Y514 HydrophobicContact CE1-CG 4.33Å; F512-Y514 AromaticContact CZ-CD2 3.65Å; F512-Y514 HydrophobicContact CZ-CD2 3.65Å; F512-Y514 HydrophobicContact CZ-CE1 4.44Å; F512-Y514 AromaticContact CZ-CE2 3.43Å; F512-Y514 HydrophobicContact CZ-CE2 3.43Å; F512-Y514 VanDerWaalsContact CZ-CE2 3.43Å; F512-Y514 HydrophobicContact CZ-CG 4.26Å; F512-Y514 AromaticContact CZ-CZ 3.83Å; F512-T525 HydrophobicContact CE1-CG2 3.56Å; F512-T525 HydrophobicContact CZ-CG2 3.9Å | ||
| 513 | A | 77.4 | Confident | 76.1 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | trans | -151.1 | 100.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | I511 K515 S562 | I511-A513 PolarHBondContact O-N 2.81Å; A513-K515 PolarHBondContact O-N 2.74Å; A513-S562 WeakPolarHBondContact CB-OG 3.26Å | ||
| 514 | Y | 86.9 | Confident | 77 | Confident | 88 Ų | 88 | 84.2 Ų | 84.2 | 35% | 0.345 | 42% | 0.416 | S | S | . | . | trans | -71.6 | 111.3 | 157 | -77.3 | -50.5 | 0 | 0 | 0 | 109.6 | F512 L516 I522 G523 T525 | F512-Y514 AromaticContact CE1-CD2 3.71Å; F512-Y514 HydrophobicContact CE1-CD2 3.71Å; F512-Y514 AromaticContact CE1-CE2 3.94Å; F512-Y514 HydrophobicContact CE1-CE2 3.94Å; F512-Y514 HydrophobicContact CE1-CG 4.33Å; F512-Y514 AromaticContact CZ-CD2 3.65Å; F512-Y514 HydrophobicContact CZ-CD2 3.65Å; F512-Y514 HydrophobicContact CZ-CE1 4.44Å; F512-Y514 AromaticContact CZ-CE2 3.43Å; F512-Y514 HydrophobicContact CZ-CE2 3.43Å; F512-Y514 VanDerWaalsContact CZ-CE2 3.43Å; F512-Y514 HydrophobicContact CZ-CG 4.26Å; F512-Y514 AromaticContact CZ-CZ 3.83Å; Y514-L516 PolarHBondContact O-N 3.43Å; Y514-I522 HydrophobicContact CD1-CD1 4.48Å; Y514-I522 HydrophobicContact CD1-CG1 4Å; Y514-G523 VanDerWaalsContact CD2-O 3.3Å; Y514-G523 WeakPolarHBondContact CD2-O 2.99Å; Y514-T525 HydrophobicContact CD2-CG2 4.06Å; Y514-T525 HydrophobicContact CE2-CG2 3.88Å | ||
| 515 | K | 91.3 | Very high | 77.9 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | trans | -48.7 | 128.2 | 178.4 | -174.4 | 168.6 | -173.9 | 163.3 | 0 | 112.2 | A513 P521 I522 | A513-K515 PolarHBondContact O-N 2.74Å; K515-P521 WeakPolarHBondContact O-CA 3.31Å; K515-I522 HydrophobicContact CB-CD1 3.95Å; K515-I522 HydrophobicContact CB-CG1 4.24Å; K515-I522 PolarHBondContact O-N 3.12Å | ||
| 516 | L | 92.8 | Very high | 79.3 | Confident | 20 Ų | 20 | 87.1 Ų | 87.1 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.1 | 173.2 | -175.9 | 60.8 | 0 | 0 | 0 | 110.4 | Y514 H564 F567 | Y514-L516 PolarHBondContact O-N 3.43Å; L516-H564 HydrophobicContact CB-CB 4.2Å; L516-H564 PolarHBondContact N-ND1 2.86Å; L516-F567 HydrophobicContact CD2-CB 3.69Å; L516-F567 VanDerWaalsContact CD2-O 3.25Å; L516-F567 WeakPolarHBondContact CD2-O 3.04Å |
| 517 | T | 93.3 | Very high | 80.9 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 174.2 | 173.6 | 76.3 | 0 | 0 | 0 | 0 | 110.6 | K519 G520 I522 | T517-K519 PolarHBondContact O-N 3.31Å; T517-K519 VanDerWaalsContact O-N 3.11Å; T517-K519 PolarHBondContact OG1-N 2.89Å; T517-K519 VanDerWaalsContact OG1-N 3.17Å; T517-G520 WeakPolarHBondContact CB-O 3.25Å; T517-G520 PolarHBondContact N-O 2.95Å; T517-G520 PolarHBondContact O-N 2.97Å; T517-G520 PolarHBondContact OG1-O 2.96Å; T517-I522 HydrophobicContact CG2-CG2 3.61Å |
| 518 | E | 90.4 | Very high | 82.5 | Confident | 183 Ų | 183 | 76.1 Ų | 76.1 | 86% | 0.855 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.1 | 172.3 | -63.7 | -177.4 | 170.9 | 0 | 0 | 113.4 | ||
| 519 | K | 91.2 | Very high | 84.2 | Confident | 194 Ų | 194 | 78 Ų | 78 | 84% | 0.843 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 6.1 | 178.5 | -62.6 | -176.2 | -179.6 | 178.8 | 0 | 113.6 | T517 L571 | T517-K519 PolarHBondContact O-N 3.31Å; T517-K519 VanDerWaalsContact O-N 3.11Å; T517-K519 PolarHBondContact OG1-N 2.89Å; T517-K519 VanDerWaalsContact OG1-N 3.17Å; K519-L571 WeakPolarHBondContact O-CD1 3.23Å |
| 520 | G | 91.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.9 | -175.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T517 | T517-G520 WeakPolarHBondContact CB-O 3.25Å; T517-G520 PolarHBondContact N-O 2.95Å; T517-G520 PolarHBondContact O-N 2.97Å; T517-G520 PolarHBondContact OG1-O 2.96Å |
| 521 | P | 93.6 | Very high | 88.1 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 145 | -177.1 | 31.7 | -36.6 | 0 | 0 | 0 | 111.3 | N500 K515 G523 K524 Y528 | N500-P521 WeakPolarHBondContact ND2-CB 3.09Å; K515-P521 WeakPolarHBondContact O-CA 3.31Å; P521-G523 VanDerWaalsContact CB-O 3.31Å; P521-G523 WeakPolarHBondContact CB-O 3.33Å; P521-G523 WeakPolarHBondContact CG-O 3.46Å; P521-G523 PolarHBondContact O-N 3.15Å; P521-K524 HydrophobicContact CG-CG 4.38Å; P521-Y528 HydrophobicContact CG-CD2 4.08Å; P521-Y528 HydrophobicContact CG-CE2 3.6Å |
| 522 | I | 92.4 | Very high | 89.3 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -65.3 | -19.2 | 179.4 | 60.9 | 172 | 0 | 0 | 0 | 113.3 | Y514 K515 T517 | Y514-I522 HydrophobicContact CD1-CD1 4.48Å; Y514-I522 HydrophobicContact CD1-CG1 4Å; K515-I522 HydrophobicContact CB-CD1 3.95Å; K515-I522 HydrophobicContact CB-CG1 4.24Å; K515-I522 PolarHBondContact O-N 3.12Å; T517-I522 HydrophobicContact CG2-CG2 3.61Å |
| 523 | G | 86.6 | Confident | 90.3 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -142.1 | 155.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N500 Y514 P521 | N500-G523 PolarHBondContact ND2-O 3.42Å; Y514-G523 VanDerWaalsContact CD2-O 3.3Å; Y514-G523 WeakPolarHBondContact CD2-O 2.99Å; P521-G523 VanDerWaalsContact CB-O 3.31Å; P521-G523 WeakPolarHBondContact CB-O 3.33Å; P521-G523 WeakPolarHBondContact CG-O 3.46Å; P521-G523 PolarHBondContact O-N 3.15Å |
| 524 | K | 90.3 | Very high | 91.2 | Very high | 93 Ų | 93 | 65.9 Ų | 65.9 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | trans | -126.3 | 114.3 | -176.2 | -62.8 | -179.1 | 171.7 | -166.5 | 0 | 109.4 | N500 P521 Y528 Q529 D532 | N500-K524 WeakPolarHBondContact OD1-CA 3.41Å; P521-K524 HydrophobicContact CG-CG 4.38Å; K524-Y528 HydrophobicContact CB-CD1 3.69Å; K524-Y528 HydrophobicContact CB-CE1 4.31Å; K524-Y528 HydrophobicContact CB-CG 4.24Å; K524-Y528 HydrophobicContact CD-CD1 3.63Å; K524-Y528 HydrophobicContact CD-CE1 3.43Å; K524-Y528 VanDerWaalsContact CD-CE1 3.43Å; K524-Y528 HydrophobicContact CG-CD1 3.52Å; K524-Y528 HydrophobicContact CG-CE1 3.62Å; K524-Y528 HydrophobicContact CG-CG 4.27Å; K524-Q529 HydrophobicContact CB-CG 3.98Å; K524-Q529 PolarHBondContact O-NE2 2.83Å; K524-Q529 VanDerWaalsContact O-NE2 3.1Å; K524-D532 IonicContact NZ-OD2 2.76Å; K524-D532 PolarHBondContact NZ-OD2 3.38Å | ||
| 525 | T | 87 | Confident | 91.6 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | trans | -74.9 | 166.2 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | N500 D501 L502 F512 Y514 I527 Y528 Q529 | N500-T525 VanDerWaalsContact C-OG1 3.25Å; N500-T525 WeakPolarHBondContact CA-OG1 3.15Å; N500-T525 WeakPolarHBondContact O-CG2 3.32Å; N500-T525 PolarHBondContact O-OG1 2.72Å; N500-T525 PolarHBondContact OD1-N 2.8Å; N500-T525 PolarHBondContact OD1-OG1 3.31Å; D501-T525 VanDerWaalsContact O-CB 3.23Å; D501-T525 WeakPolarHBondContact O-CB 3.33Å; D501-T525 WeakPolarHBondContact O-CG2 3.5Å; D501-T525 PolarHBondContact O-OG1 3.29Å; L502-T525 HydrophobicContact CD2-CG2 3.81Å; L502-T525 HydrophobicContact CG-CG2 4.12Å; F512-T525 HydrophobicContact CE1-CG2 3.56Å; F512-T525 HydrophobicContact CZ-CG2 3.9Å; Y514-T525 HydrophobicContact CD2-CG2 4.06Å; Y514-T525 HydrophobicContact CE2-CG2 3.88Å; T525-I527 PolarHBondContact O-N 3.45Å; T525-I527 VanDerWaalsContact OG1-CG2 3.31Å; T525-I527 WeakPolarHBondContact OG1-CG2 3Å; T525-Y528 PolarHBondContact O-N 2.82Å; T525-Y528 VanDerWaalsContact O-N 3.15Å; T525-Q529 WeakPolarHBondContact O-CG 3.45Å; T525-Q529 PolarHBondContact O-N 3.29Å | ||
| 526 | P | 85.1 | Confident | 91.8 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -54.2 | -38.9 | 179 | -28.9 | 37.2 | 0 | 0 | 0 | 113.6 | Q529 Y530 | P526-Q529 PolarHBondContact O-N 2.7Å; P526-Y530 PolarHBondContact O-N 3.31Å |
| 527 | I | 88.1 | Confident | 92 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 178.6 | -171 | 68.1 | 0 | 0 | 0 | 112.1 | E440 V472 D501 I504 T525 Q529 Y530 F531 | E440-I527 HydrophobicContact CG-CD1 4.4Å; V472-I527 HydrophobicContact CG1-CD1 4.01Å; V472-I527 HydrophobicContact CG1-CG1 4.09Å; D501-I527 WeakPolarHBondContact O-CG2 3.49Å; I504-I527 HydrophobicContact CD1-CB 3.94Å; I504-I527 HydrophobicContact CD1-CD1 3.96Å; I504-I527 HydrophobicContact CD1-CG1 3.64Å; I504-I527 HydrophobicContact CD1-CG2 4.1Å; T525-I527 PolarHBondContact O-N 3.45Å; T525-I527 VanDerWaalsContact OG1-CG2 3.31Å; T525-I527 WeakPolarHBondContact OG1-CG2 3Å; I527-Q529 PolarHBondContact O-N 2.91Å; I527-Y530 HydrophobicContact CD1-CD1 4.26Å; I527-Y530 WeakPolarHBondContact O-CB 3.36Å; I527-Y530 PolarHBondContact O-N 3.19Å; I527-F531 HydrophobicContact CD1-CE2 3.92Å; I527-F531 HydrophobicContact CD1-CZ 4.04Å; I527-F531 HydrophobicContact CG1-CD2 4.06Å; I527-F531 HydrophobicContact CG1-CE2 3.5Å; I527-F531 HydrophobicContact CG1-CZ 4.13Å; I527-F531 VanDerWaalsContact O-CD2 3.25Å; I527-F531 WeakPolarHBondContact O-CD2 3.21Å; I527-F531 PolarHBondContact O-N 2.79Å |
| 528 | Y | 91.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.1 | 179.6 | -76 | 0 | 0 | 0 | 111.1 | N500 P521 K524 T525 Y530 F531 D532 A568 L569 L572 | N500-Y528 HydrophobicContact CB-CD2 4.09Å; N500-Y528 WeakPolarHBondContact OD1-CB 3.29Å; P521-Y528 HydrophobicContact CG-CD2 4.08Å; P521-Y528 HydrophobicContact CG-CE2 3.6Å; K524-Y528 HydrophobicContact CB-CD1 3.69Å; K524-Y528 HydrophobicContact CB-CE1 4.31Å; K524-Y528 HydrophobicContact CB-CG 4.24Å; K524-Y528 HydrophobicContact CD-CD1 3.63Å; K524-Y528 HydrophobicContact CD-CE1 3.43Å; K524-Y528 VanDerWaalsContact CD-CE1 3.43Å; K524-Y528 HydrophobicContact CG-CD1 3.52Å; K524-Y528 HydrophobicContact CG-CE1 3.62Å; K524-Y528 HydrophobicContact CG-CG 4.27Å; T525-Y528 PolarHBondContact O-N 2.82Å; T525-Y528 VanDerWaalsContact O-N 3.15Å; Y528-Y530 PolarHBondContact O-N 2.87Å; Y528-F531 PolarHBondContact O-N 2.65Å; Y528-F531 VanDerWaalsContact O-N 3.09Å; Y528-D532 HydrophobicContact CD1-CB 4.3Å; Y528-D532 HydrophobicContact CE1-CB 4.02Å; Y528-D532 WeakPolarHBondContact O-CB 3.37Å; Y528-D532 PolarHBondContact O-N 2.84Å; Y528-A568 HydrophobicContact CD2-CB 4.07Å; Y528-A568 HydrophobicContact CE2-CB 4.2Å; Y528-A568 WeakPolarHBondContact CE2-O 3.05Å; Y528-L569 HydrophobicContact CD2-CD2 3.71Å; Y528-L569 HydrophobicContact CE2-CD2 3.79Å; Y528-L569 HydrophobicContact CG-CD2 4.49Å; Y528-L572 HydrophobicContact CE2-CD1 4.49Å |
| 529 | Q | 89.1 | Confident | 92.3 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | -179.3 | -67.7 | 175.9 | 16.7 | 0 | 0 | 111.6 | K524 T525 P526 I527 Q533 | K524-Q529 HydrophobicContact CB-CG 3.98Å; K524-Q529 PolarHBondContact O-NE2 2.83Å; K524-Q529 VanDerWaalsContact O-NE2 3.1Å; T525-Q529 WeakPolarHBondContact O-CG 3.45Å; T525-Q529 PolarHBondContact O-N 3.29Å; P526-Q529 PolarHBondContact O-N 2.7Å; I527-Q529 PolarHBondContact O-N 2.91Å; Q529-Q533 VanDerWaalsContact O-CG 3.29Å; Q529-Q533 WeakPolarHBondContact O-CG 3.35Å; Q529-Q533 PolarHBondContact O-N 2.8Å; Q529-Q533 VanDerWaalsContact O-N 3.13Å |
| 530 | Y | 91.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 171.3 | 163.9 | -92.2 | 0 | 0 | 0 | 111.3 | R476 E480 P526 I527 Y528 D532 Q533 A534 | R476-Y530 HydrophobicContact CB-CE1 4.49Å; R476-Y530 HydrophobicContact CG-CE1 4.3Å; R476-Y530 VanDerWaalsContact NH1-CE2 3.3Å; E480-Y530 WeakPolarHBondContact CG-OH 3.41Å; E480-Y530 WeakPolarHBondContact OE1-CE2 3.46Å; E480-Y530 PolarHBondContact OE1-OH 2.83Å; P526-Y530 PolarHBondContact O-N 3.31Å; I527-Y530 HydrophobicContact CD1-CD1 4.26Å; I527-Y530 WeakPolarHBondContact O-CB 3.36Å; I527-Y530 PolarHBondContact O-N 3.19Å; Y528-Y530 PolarHBondContact O-N 2.87Å; Y530-D532 PolarHBondContact O-N 2.98Å; Y530-Q533 PolarHBondContact O-N 3.44Å; Y530-A534 HydrophobicContact CE2-CB 4.48Å; Y530-A534 WeakPolarHBondContact O-CB 3.42Å; Y530-A534 PolarHBondContact O-N 3.47Å |
| 531 | F | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.8 | -70.1 | -48 | 0 | 0 | 0 | 112.6 | V472 L475 L479 F499 I527 Y528 Q533 A534 M535 L569 | V472-F531 HydrophobicContact CG1-CE2 4.09Å; V472-F531 HydrophobicContact CG1-CZ 3.73Å; L475-F531 HydrophobicContact CB-CE1 3.97Å; L475-F531 HydrophobicContact CB-CZ 4.24Å; L475-F531 HydrophobicContact CD2-CD1 3.68Å; L475-F531 HydrophobicContact CD2-CD2 4.34Å; L475-F531 HydrophobicContact CD2-CE1 3.59Å; L475-F531 HydrophobicContact CD2-CE2 4.25Å; L475-F531 HydrophobicContact CD2-CG 4.08Å; L475-F531 HydrophobicContact CD2-CZ 3.89Å; L475-F531 HydrophobicContact CG-CD1 3.93Å; L475-F531 HydrophobicContact CG-CE1 3.61Å; L475-F531 HydrophobicContact CG-CZ 4.21Å; L479-F531 HydrophobicContact CD1-CD1 3.58Å; L479-F531 HydrophobicContact CD1-CE1 4.11Å; F499-F531 HydrophobicContact CB-CE2 4.48Å; F499-F531 HydrophobicContact CD1-CD2 4.26Å; F499-F531 AromaticContact CD1-CE2 3.64Å; F499-F531 HydrophobicContact CD1-CE2 3.64Å; F499-F531 HydrophobicContact CD1-CZ 4.15Å; F499-F531 HydrophobicContact CE1-CE2 4.41Å; I527-F531 HydrophobicContact CD1-CE2 3.92Å; I527-F531 HydrophobicContact CD1-CZ 4.04Å; I527-F531 HydrophobicContact CG1-CD2 4.06Å; I527-F531 HydrophobicContact CG1-CE2 3.5Å; I527-F531 HydrophobicContact CG1-CZ 4.13Å; I527-F531 VanDerWaalsContact O-CD2 3.25Å; I527-F531 WeakPolarHBondContact O-CD2 3.21Å; I527-F531 PolarHBondContact O-N 2.79Å; Y528-F531 PolarHBondContact O-N 2.65Å; Y528-F531 VanDerWaalsContact O-N 3.09Å; F531-Q533 VanDerWaalsContact C-N 3.28Å; F531-Q533 PolarHBondContact O-N 2.97Å; F531-A534 PolarHBondContact O-N 2.87Å; F531-A534 VanDerWaalsContact O-N 3.15Å; F531-M535 HydrophobicContact CB-CE 4.07Å; F531-M535 WeakPolarHBondContact O-CB 3.46Å; F531-M535 PolarHBondContact O-N 2.84Å; F531-L569 HydrophobicContact CB-CD1 4.23Å; F531-L569 HydrophobicContact CB-CD2 3.86Å; F531-L569 HydrophobicContact CD2-CD1 3.88Å; F531-L569 HydrophobicContact CD2-CD2 4.19Å; F531-L569 HydrophobicContact CE2-CD1 4.45Å; F531-L569 HydrophobicContact CG-CD1 4.09Å; F531-L569 HydrophobicContact CG-CD2 4.39Å |
| 532 | D | 94.5 | Very high | 92.7 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.4 | -45.2 | 175.4 | -164.5 | 1.1 | 0 | 0 | 0 | 111 | K524 Y528 Y530 L572 | K524-D532 IonicContact NZ-OD2 2.76Å; K524-D532 PolarHBondContact NZ-OD2 3.38Å; Y528-D532 HydrophobicContact CD1-CB 4.3Å; Y528-D532 HydrophobicContact CE1-CB 4.02Å; Y528-D532 WeakPolarHBondContact O-CB 3.37Å; Y528-D532 PolarHBondContact O-N 2.84Å; Y530-D532 PolarHBondContact O-N 2.98Å; D532-L572 HydrophobicContact CB-CD1 4.16Å |
| 533 | Q | 94.3 | Very high | 93 | Very high | 164 Ų | 164 | 59.1 Ų | 59.1 | 77% | 0.766 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -73.1 | -31.5 | 178.9 | -68.8 | 174.1 | 16.2 | 0 | 0 | 113.9 | Q529 Y530 F531 | Q529-Q533 VanDerWaalsContact O-CG 3.29Å; Q529-Q533 WeakPolarHBondContact O-CG 3.35Å; Q529-Q533 PolarHBondContact O-N 2.8Å; Q529-Q533 VanDerWaalsContact O-N 3.13Å; Y530-Q533 PolarHBondContact O-N 3.44Å; F531-Q533 VanDerWaalsContact C-N 3.28Å; F531-Q533 PolarHBondContact O-N 2.97Å |
| 534 | A | 96 | Very high | 93.6 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -94.1 | -17.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L479 Y530 F531 G536 R537 | L479-A534 HydrophobicContact CB-CB 4.16Å; L479-A534 HydrophobicContact CD1-CB 3.96Å; Y530-A534 HydrophobicContact CE2-CB 4.48Å; Y530-A534 WeakPolarHBondContact O-CB 3.42Å; Y530-A534 PolarHBondContact O-N 3.47Å; F531-A534 PolarHBondContact O-N 2.87Å; F531-A534 VanDerWaalsContact O-N 3.15Å; A534-G536 PolarHBondContact O-N 3.12Å; A534-R537 WeakPolarHBondContact O-CB 3.36Å; A534-R537 PolarHBondContact O-N 3.09Å |
| 535 | M | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -58.1 | -25.5 | -169.1 | -157.8 | 64 | 64.7 | 0 | 0 | 114.5 | L475 L479 F531 R537 L538 L569 L572 F573 H576 | L475-M535 HydrophobicContact CD2-CE 4.41Å; L479-M535 HydrophobicContact CD2-SD 4.24Å; F531-M535 HydrophobicContact CB-CE 4.07Å; F531-M535 WeakPolarHBondContact O-CB 3.46Å; F531-M535 PolarHBondContact O-N 2.84Å; M535-R537 PolarHBondContact O-N 3.36Å; M535-L538 WeakPolarHBondContact O-CB 3.33Å; M535-L538 PolarHBondContact O-N 3Å; M535-L538 HydrophobicContact SD-CB 4.2Å; M535-L538 HydrophobicContact SD-CD2 3.98Å; M535-L538 HydrophobicContact SD-CG 4.45Å; M535-L569 HydrophobicContact CE-CD1 4.17Å; M535-L572 HydrophobicContact CE-CB 3.97Å; M535-L572 HydrophobicContact CE-CD1 4.18Å; M535-L572 HydrophobicContact CG-CB 4.08Å; M535-F573 HydrophobicContact SD-CD1 4.48Å; M535-F573 HydrophobicContact SD-CE1 4.37Å; M535-H576 HydrophobicContact CG-CB 3.79Å; M535-H576 WeakPolarHBondContact CG-CD2 3.36Å |
| 536 | G | 95.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 54 Ų | 54 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -58.2 | -16.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A534 | A534-G536 PolarHBondContact O-N 3.12Š|
| 537 | R | 96.2 | Very high | 95.2 | Very high | 168 Ų | 168 | 49.5 Ų | 49.5 | 63% | 0.634 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -90.6 | -9.2 | 176.3 | -59.3 | 177.1 | -170.8 | 161 | 5.2 | 113.6 | L479 A534 M535 | L479-R537 HydrophobicContact CD2-CB 4.49Å; L479-R537 WeakPolarHBondContact O-CD 3.31Å; A534-R537 WeakPolarHBondContact O-CB 3.36Å; A534-R537 PolarHBondContact O-N 3.09Å; M535-R537 PolarHBondContact O-N 3.36Å |
| 538 | L | 96.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -57.1 | 134.7 | 179.7 | -170.7 | 72 | 0 | 0 | 0 | 110.4 | L475 L478 L479 M535 K540 I542 F573 H576 A577 | L475-L538 HydrophobicContact CD1-CD1 4.01Å; L478-L538 HydrophobicContact CB-CD1 4.37Å; L479-L538 HydrophobicContact CD2-CB 3.87Å; L479-L538 HydrophobicContact CD2-CD1 4.09Å; M535-L538 WeakPolarHBondContact O-CB 3.33Å; M535-L538 PolarHBondContact O-N 3Å; M535-L538 HydrophobicContact SD-CB 4.2Å; M535-L538 HydrophobicContact SD-CD2 3.98Å; M535-L538 HydrophobicContact SD-CG 4.45Å; L538-K540 PolarHBondContact O-N 2.68Å; L538-I542 HydrophobicContact CD1-CD1 4.49Å; L538-I542 HydrophobicContact CD1-CG2 4.3Å; L538-I542 HydrophobicContact CD2-CG2 3.79Å; L538-I542 HydrophobicContact CG-CG2 3.85Å; L538-F573 HydrophobicContact CD2-CD1 4.16Å; L538-F573 HydrophobicContact CD2-CE1 4.4Å; L538-H576 HydrophobicContact CB-CB 4.45Å; L538-H576 HydrophobicContact CD2-CB 4.15Å; L538-A577 HydrophobicContact CD2-CB 4.12Å |
| 539 | P | 93.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | trans | -57.9 | 115.4 | 177.1 | -26.1 | 34.9 | 0 | 0 | 0 | 111.8 | E541 I542 | P539-E541 PolarHBondContact O-N 3.36Å; P539-I542 HydrophobicContact CB-CB 4.46Å; P539-I542 WeakPolarHBondContact O-CB 3.16Å; P539-I542 WeakPolarHBondContact O-CG2 3.37Å; P539-I542 PolarHBondContact O-N 2.74Å | ||
| 540 | K | 92.6 | Very high | 96.3 | Very high | 170 Ų | 170 | 44.7 Ų | 44.7 | 74% | 0.739 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.4 | -170.1 | -63.7 | -173 | 177.7 | -174.8 | 0 | 115.5 | L538 I542 K578 | L538-K540 PolarHBondContact O-N 2.68Å; K540-I542 VanDerWaalsContact C-N 3.32Å; K540-K578 PolarHBondContact O-N 3.14Å |
| 541 | E | 95.6 | Very high | 96.4 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 58% | 0.579 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -1.9 | -178.7 | -65.2 | -61.3 | 134.6 | 0 | 0 | 113.5 | P539 K578 | P539-E541 PolarHBondContact O-N 3.36Å; E541-K578 WeakPolarHBondContact O-CD 3.37Å; E541-K578 WeakPolarHBondContact OE2-CD 3.23Å; E541-K578 WeakPolarHBondContact OE2-CE 3.38Å; E541-K578 IonicContact OE2-NZ 2.78Å; E541-K578 PolarHBondContact OE2-NZ 3.29Å |
| 542 | I | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -66.7 | 137.9 | -177.4 | -157.4 | 168.6 | 0 | 0 | 0 | 110.9 | L478 T489 F492 L538 P539 K540 V544 A577 K578 | L478-I542 HydrophobicContact CD1-CD1 3.79Å; L478-I542 HydrophobicContact CD2-CD1 4.36Å; T489-I542 HydrophobicContact CG2-CD1 3.94Å; T489-I542 HydrophobicContact CG2-CG1 4.45Å; F492-I542 HydrophobicContact CB-CD1 3.7Å; F492-I542 HydrophobicContact CB-CG1 4.19Å; L538-I542 HydrophobicContact CD1-CD1 4.49Å; L538-I542 HydrophobicContact CD1-CG2 4.3Å; L538-I542 HydrophobicContact CD2-CG2 3.79Å; L538-I542 HydrophobicContact CG-CG2 3.85Å; P539-I542 HydrophobicContact CB-CB 4.46Å; P539-I542 WeakPolarHBondContact O-CB 3.16Å; P539-I542 WeakPolarHBondContact O-CG2 3.37Å; P539-I542 PolarHBondContact O-N 2.74Å; K540-I542 VanDerWaalsContact C-N 3.32Å; I542-V544 HydrophobicContact CG2-CG2 4.12Å; I542-A577 HydrophobicContact CG2-CB 3.97Å; I542-K578 VanDerWaalsContact O-CB 3.31Å; I542-K578 WeakPolarHBondContact O-CB 3.26Å; I542-K578 PolarHBondContact O-N 2.84Å | ||
| 543 | R | 98.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 32% | 0.317 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.9 | 169.6 | -58.4 | -173.8 | -178.6 | 97.1 | -6.5 | 108.7 | E490 R491 F492 K578 S579 F608 | E490-R543 PolarHBondContact O-N 3.43Å; R491-R543 CarbonylContact C-O 3.49Å; R491-R543 VanDerWaalsContact CA-O 3.25Å; R491-R543 WeakPolarHBondContact CA-O 3.3Å; R491-R543 HydrophobicContact CG-CB 4.31Å; F492-R543 PolarHBondContact N-O 2.98Å; R543-K578 HydrophobicContact CG-CB 4.43Å; R543-K578 HydrophobicContact CG-CD 4.48Å; R543-S579 WeakPolarHBondContact CB-OG 3.39Å; R543-S579 VanDerWaalsContact CG-OG 3.31Å; R543-S579 WeakPolarHBondContact CG-OG 3.16Å; R543-F608 HydrophobicContact CB-CE2 4.42Å; R543-F608 HydrophobicContact CB-CZ 3.93Å |
| 544 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.5 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | F492 I542 F573 A577 S579 Y580 Q581 | F492-V544 HydrophobicContact CB-CG2 4.48Å; F492-V544 HydrophobicContact CD1-CG1 4.14Å; F492-V544 HydrophobicContact CD1-CG2 4.35Å; F492-V544 CarbonylContact O-C 3.39Å; F492-V544 WeakPolarHBondContact O-CA 3.34Å; I542-V544 HydrophobicContact CG2-CG2 4.12Å; V544-F573 HydrophobicContact CB-CD1 4.33Å; V544-F573 HydrophobicContact CG1-CD1 4.08Å; V544-F573 HydrophobicContact CG1-CD2 4.22Å; V544-F573 HydrophobicContact CG1-CE1 4.07Å; V544-F573 HydrophobicContact CG1-CE2 4.18Å; V544-F573 HydrophobicContact CG1-CG 4.17Å; V544-F573 HydrophobicContact CG1-CZ 4.11Å; V544-F573 HydrophobicContact CG2-CD1 3.88Å; V544-F573 HydrophobicContact CG2-CE1 4.07Å; V544-A577 HydrophobicContact CG2-CB 3.88Å; V544-S579 PolarHBondContact N-O 2.84Å; V544-Y580 HydrophobicContact CB-CD2 3.97Å; V544-Y580 HydrophobicContact CG1-CD2 3.8Å; V544-Y580 HydrophobicContact CG1-CE2 4.01Å; V544-Y580 WeakPolarHBondContact O-CA 3.46Å; V544-Q581 PolarHBondContact O-N 3.29Å |
| 545 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.4 | 164.6 | 171.2 | 66.1 | 0 | 0 | 0 | 107.6 | F492 V493 A494 V547 Q581 F583 K604 F608 | F492-L545 PolarHBondContact O-N 2.84Å; V493-L545 VanDerWaalsContact CA-O 3.26Å; V493-L545 WeakPolarHBondContact CA-O 3.44Å; V493-L545 HydrophobicContact CG1-CB 4.18Å; V493-L545 HydrophobicContact CG1-CD2 3.89Å; V493-L545 HydrophobicContact CG1-CG 4.05Å; V493-L545 HydrophobicContact CG2-CB 4.2Å; V493-L545 HydrophobicContact CG2-CD2 4.35Å; A494-L545 PolarHBondContact N-O 2.89Å; L545-V547 HydrophobicContact CD1-CG2 4.29Å; L545-V547 HydrophobicContact CD2-CG2 4.02Å; L545-V547 HydrophobicContact CG-CG2 3.79Å; L545-Q581 CarbonylContact C-O 3.48Å; L545-Q581 WeakPolarHBondContact CA-O 3.43Å; L545-Q581 HydrophobicContact CD1-CB 3.89Å; L545-F583 HydrophobicContact CD1-CB 4.12Å; L545-K604 HydrophobicContact CD1-CG 4.32Å; L545-K604 HydrophobicContact CD2-CG 3.8Å; L545-F608 HydrophobicContact CB-CD1 3.72Å; L545-F608 HydrophobicContact CB-CD2 4.02Å; L545-F608 HydrophobicContact CB-CE1 3.54Å; L545-F608 HydrophobicContact CB-CE2 3.88Å; L545-F608 HydrophobicContact CB-CG 3.95Å; L545-F608 HydrophobicContact CB-CZ 3.64Å; L545-F608 HydrophobicContact CD2-CB 3.95Å; L545-F608 HydrophobicContact CD2-CD1 4.05Å; L545-F608 HydrophobicContact CD2-CD2 4.49Å; L545-F608 HydrophobicContact CD2-CG 3.92Å |
| 546 | D | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.5 | 173.5 | -141.7 | -12.6 | 0 | 0 | 0 | 108.5 | A566 F567 Y580 Q581 E582 F583 | D546-A566 VanDerWaalsContact OD2-O 3.11Å; D546-F567 HydrophobicContact CB-CD1 3.83Å; D546-F567 HydrophobicContact CB-CE1 3.87Å; D546-Y580 HydrophobicContact CB-CE2 3.64Å; D546-Y580 WeakPolarHBondContact CB-OH 3.31Å; D546-Y580 PolarHBondContact OD2-OH 2.64Å; D546-Q581 PolarHBondContact N-O 2.89Å; D546-E582 HydrophobicContact CB-CG 4.43Å; D546-E582 CarbonylContact O-C 3.33Å; D546-E582 VanDerWaalsContact O-CA 3.3Å; D546-E582 WeakPolarHBondContact O-CA 3.35Å; D546-F583 PolarHBondContact O-N 2.87Å |
| 547 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.5 | -178.5 | -171 | 0 | 0 | 0 | 0 | 108.9 | V493 A494 I495 S496 L545 F583 V585 I595 L601 | V493-V547 HydrophobicContact CG1-CG2 4.1Å; A494-V547 PolarHBondContact O-N 3.41Å; I495-V547 CarbonylContact C-O 3.51Å; I495-V547 HydrophobicContact CB-CB 4.48Å; I495-V547 HydrophobicContact CG1-CB 4.34Å; I495-V547 HydrophobicContact CG1-CG2 4.43Å; I495-V547 HydrophobicContact CG2-CB 4.31Å; I495-V547 HydrophobicContact CG2-CG1 4.43Å; S496-V547 PolarHBondContact N-O 2.9Å; L545-V547 HydrophobicContact CD1-CG2 4.29Å; L545-V547 HydrophobicContact CD2-CG2 4.02Å; L545-V547 HydrophobicContact CG-CG2 3.79Å; V547-F583 CarbonylContact C-O 3.56Å; V547-F583 VanDerWaalsContact CA-O 3.27Å; V547-F583 WeakPolarHBondContact CA-O 3.39Å; V547-F583 HydrophobicContact CG1-CB 4.49Å; V547-F583 HydrophobicContact CG1-CD1 4.03Å; V547-F583 HydrophobicContact CG2-CB 4.36Å; V547-V585 HydrophobicContact CG1-CG2 4.11Å; V547-I595 HydrophobicContact CG1-CD1 4.04Å; V547-L601 HydrophobicContact CB-CD1 4.4Å; V547-L601 HydrophobicContact CG1-CD1 3.97Å; V547-L601 HydrophobicContact CG2-CD1 4.08Å |
| 548 | A | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T563 A566 F567 F583 I584 V585 | A548-T563 HydrophobicContact CB-CG2 3.91Å; A548-A566 HydrophobicContact CB-CB 3.71Å; A548-F567 HydrophobicContact CB-CD2 4.33Å; A548-F567 HydrophobicContact CB-CE1 3.95Å; A548-F567 HydrophobicContact CB-CE2 3.57Å; A548-F567 HydrophobicContact CB-CZ 3.34Å; A548-F583 PolarHBondContact N-O 3.4Å; A548-I584 VanDerWaalsContact O-CA 3.3Å; A548-I584 WeakPolarHBondContact O-CA 3.35Å; A548-V585 PolarHBondContact O-N 2.77Å |
| 549 | G | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 148.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S557 D558 T563 V585 G590 | G549-S557 CarbonylContact O-C 3.59Å; G549-D558 PolarHBondContact O-N 2.9Å; G549-T563 VanDerWaalsContact O-CG2 3.25Å; G549-T563 WeakPolarHBondContact O-CG2 3.29Å; G549-V585 WeakPolarHBondContact CA-O 3.45Å; G549-G590 CarbonylContact C-O 3.5Å; G549-G590 WeakPolarHBondContact CA-O 3.29Å |
| 550 | D | 96.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 107.9 | 174.1 | 174.4 | 5.7 | 0 | 0 | 0 | 108.7 | K552 S557 T563 I584 V585 K586 G587 | D550-K552 HydrophobicContact CB-CD 4.35Å; D550-K552 VanDerWaalsContact CG-CD 3.5Å; D550-K552 PolarHBondContact O-N 3.38Å; D550-K552 VanDerWaalsContact O-N 3.08Å; D550-K552 WeakPolarHBondContact OD1-CA 3.45Å; D550-K552 PolarHBondContact OD1-N 3.08Å; D550-K552 IonicContact OD1-NZ 3.1Å; D550-K552 WeakPolarHBondContact OD2-CD 3.46Å; D550-K552 IonicContact OD2-NZ 2.69Å; D550-K552 PolarHBondContact OD2-NZ 3.29Å; D550-S557 CarbonylContact C-O 3.54Å; D550-S557 VanDerWaalsContact CA-O 3.28Å; D550-S557 WeakPolarHBondContact CA-O 3.46Å; D550-T563 HydrophobicContact CB-CG2 4.22Å; D550-I584 HydrophobicContact CB-CG2 3.68Å; D550-V585 PolarHBondContact N-O 2.84Å; D550-K586 CarbonylContact O-C 3.6Å; D550-K586 WeakPolarHBondContact O-CA 3.29Å; D550-G587 PolarHBondContact O-N 2.92Å |
| 551 | L | 93.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | trans | -62.5 | -12.6 | 179.3 | -74 | 174.1 | 0 | 0 | 0 | 113.5 | D553 S557 | L551-D553 PolarHBondContact O-N 3.35Å; L551-S557 PolarHBondContact N-O 3.09Å | ||
| 552 | K | 94.9 | Very high | 94.7 | Very high | 122 Ų | 122 | 33 Ų | 33 | 53% | 0.53 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 60.7 | 24.8 | -174.3 | -49.9 | -53.7 | -66.1 | 149.3 | 0 | 114 | D550 K586 | D550-K552 HydrophobicContact CB-CD 4.35Å; D550-K552 VanDerWaalsContact CG-CD 3.5Å; D550-K552 PolarHBondContact O-N 3.38Å; D550-K552 VanDerWaalsContact O-N 3.08Å; D550-K552 WeakPolarHBondContact OD1-CA 3.45Å; D550-K552 PolarHBondContact OD1-N 3.08Å; D550-K552 IonicContact OD1-NZ 3.1Å; D550-K552 WeakPolarHBondContact OD2-CD 3.46Å; D550-K552 IonicContact OD2-NZ 2.69Å; D550-K552 PolarHBondContact OD2-NZ 3.29Å; K552-K586 HydrophobicContact CD-CB 4.01Å; K552-K586 HydrophobicContact CD-CD 4.25Å; K552-K586 HydrophobicContact CD-CG 4.09Å; K552-K586 HydrophobicContact CG-CB 4.21Å |
| 553 | D | 90.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 33.5 Ų | 33.5 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -90 | -3.2 | 175.5 | 60.3 | 8.9 | 0 | 0 | 0 | 113.6 | L551 T555 | L551-D553 PolarHBondContact O-N 3.35Å; D553-T555 WeakPolarHBondContact OD1-CB 3.35Å; D553-T555 WeakPolarHBondContact OD1-CG2 3.49Å; D553-T555 PolarHBondContact OD1-N 2.95Å; D553-T555 PolarHBondContact OD1-OG1 3.24Å |
| 554 | G | 90.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 70% | 0.701 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 101.7 | -5.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 555 | T | 89.8 | Confident | 94.3 | Very high | 73 Ų | 73 | 30.9 Ų | 30.9 | 45% | 0.448 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -81.1 | -14 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | D553 S557 | D553-T555 WeakPolarHBondContact OD1-CB 3.35Å; D553-T555 WeakPolarHBondContact OD1-CG2 3.49Å; D553-T555 PolarHBondContact OD1-N 2.95Å; D553-T555 PolarHBondContact OD1-OG1 3.24Å; T555-S557 VanDerWaalsContact C-N 3.26Å; T555-S557 PolarHBondContact O-N 3.4Å; T555-S557 PolarHBondContact OG1-N 2.75Å; T555-S557 PolarHBondContact OG1-OG 3.22Å |
| 556 | E | 94 | Very high | 94.2 | Very high | 100 Ų | 100 | 31 Ų | 31 | 47% | 0.467 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 53.8 | 42.1 | -171.6 | -58.1 | -172.4 | 84.1 | 0 | 0 | 112.4 | T563 H564 | E556-T563 WeakPolarHBondContact O-CB 3.2Å; E556-T563 VanDerWaalsContact O-CG2 3.26Å; E556-T563 WeakPolarHBondContact O-CG2 3.35Å; E556-T563 PolarHBondContact O-N 3.49Å; E556-T563 PolarHBondContact O-OG1 2.8Å; E556-H564 IonicContact OE2-NE2 3.96Å |
| 557 | S | 93.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -142.2 | 167.7 | -175.8 | 79.2 | 0 | 0 | 0 | 0 | 112.6 | I511 G549 D550 L551 T555 G559 V561 | I511-S557 WeakPolarHBondContact CD1-OG 3.33Å; G549-S557 CarbonylContact O-C 3.59Å; D550-S557 CarbonylContact C-O 3.54Å; D550-S557 VanDerWaalsContact CA-O 3.28Å; D550-S557 WeakPolarHBondContact CA-O 3.46Å; L551-S557 PolarHBondContact N-O 3.09Å; T555-S557 VanDerWaalsContact C-N 3.26Å; T555-S557 PolarHBondContact O-N 3.4Å; T555-S557 PolarHBondContact OG1-N 2.75Å; T555-S557 PolarHBondContact OG1-OG 3.22Å; S557-G559 VanDerWaalsContact C-N 3.3Å; S557-G559 PolarHBondContact OG-N 3.13Å; S557-V561 WeakPolarHBondContact CA-O 3.42Å |
| 558 | D | 93 | Very high | 94.2 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -90 | 9.8 | 170.9 | 67.6 | 14.5 | 0 | 0 | 0 | 113.9 | S496 G549 S560 V561 G590 G591 H592 | S496-D558 WeakPolarHBondContact CB-OD2 3.28Å; S496-D558 PolarHBondContact OG-OD2 2.85Å; G549-D558 PolarHBondContact O-N 2.9Å; D558-S560 PolarHBondContact OD1-N 3.07Å; D558-V561 PolarHBondContact N-O 2.93Å; D558-V561 VanDerWaalsContact N-O 3.13Å; D558-V561 PolarHBondContact OD1-N 3.13Å; D558-G590 WeakPolarHBondContact CA-O 3.35Å; D558-G590 WeakPolarHBondContact CB-O 3.39Å; D558-G591 CarbonylContact O-C 3.6Å; D558-G591 VanDerWaalsContact O-CA 3.28Å; D558-G591 WeakPolarHBondContact O-CA 3.36Å; D558-H592 HydrophobicContact CB-CB 4.35Å; D558-H592 VanDerWaalsContact CG-ND1 3.28Å; D558-H592 PolarHBondContact O-N 3.26Å; D558-H592 IonicContact OD1-CG 3.03Å; D558-H592 IonicContact OD1-ND1 2.67Å; D558-H592 PolarHBondContact OD1-ND1 2.89Å; D558-H592 IonicContact OD2-CE1 2.61Å; D558-H592 IonicContact OD2-CG 2.63Å; D558-H592 IonicContact OD2-ND1 2.64Å; D558-H592 PolarHBondContact OD2-ND1 3.4Å |
| 559 | G | 89.8 | Confident | 94.1 | Very high | 40 Ų | 40 | 31.2 Ų | 31.2 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 95.9 | -18.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I511 S557 | I511-G559 WeakPolarHBondContact CD1-O 3.31Å; S557-G559 VanDerWaalsContact C-N 3.3Å; S557-G559 PolarHBondContact OG-N 3.13Å |
| 560 | S | 89.5 | Confident | 94.1 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -128 | -42.9 | 175.9 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | D507 D558 | D507-S560 VanDerWaalsContact OD1-CB 3.23Å; D507-S560 WeakPolarHBondContact OD1-CB 3.12Å; D507-S560 PolarHBondContact OD1-OG 3.04Å; D558-S560 PolarHBondContact OD1-N 3.07Å |
| 561 | V | 92 | Very high | 94.1 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -116.5 | 124.8 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | P498 S557 D558 A566 | P498-V561 HydrophobicContact CB-CG1 3.97Å; P498-V561 HydrophobicContact CB-CG2 4.01Å; P498-V561 HydrophobicContact CG-CG2 4.32Å; S557-V561 WeakPolarHBondContact CA-O 3.42Å; D558-V561 PolarHBondContact N-O 2.93Å; D558-V561 VanDerWaalsContact N-O 3.13Å; D558-V561 PolarHBondContact OD1-N 3.13Å; V561-A566 HydrophobicContact CG1-CB 4.3Å |
| 562 | S | 94.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 141 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | A513 H564 S565 A566 | A513-S562 WeakPolarHBondContact CB-OG 3.26Å; S562-H564 PolarHBondContact O-N 2.87Å; S562-H564 VanDerWaalsContact O-N 3.1Å; S562-H564 WeakPolarHBondContact OG-CB 3.17Å; S562-H564 PolarHBondContact OG-N 3.35Å; S562-H564 VanDerWaalsContact OG-N 3.15Å; S562-S565 PolarHBondContact O-N 3.03Å; S562-A566 PolarHBondContact O-N 2.66Å |
| 563 | T | 95.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.4 | -27.7 | 169.1 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | A548 G549 D550 E556 F567 | A548-T563 HydrophobicContact CB-CG2 3.91Å; G549-T563 VanDerWaalsContact O-CG2 3.25Å; G549-T563 WeakPolarHBondContact O-CG2 3.29Å; D550-T563 HydrophobicContact CB-CG2 4.22Å; E556-T563 WeakPolarHBondContact O-CB 3.2Å; E556-T563 VanDerWaalsContact O-CG2 3.26Å; E556-T563 WeakPolarHBondContact O-CG2 3.35Å; E556-T563 PolarHBondContact O-N 3.49Å; E556-T563 PolarHBondContact O-OG1 2.8Å; T563-F567 VanDerWaalsContact O-CD2 3.25Å; T563-F567 WeakPolarHBondContact O-CD2 3.41Å; T563-F567 PolarHBondContact O-N 2.95Å; T563-F567 VanDerWaalsContact O-N 3.1Å |
| 564 | H | 95.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -36.9 | 174.8 | -64.3 | -43.7 | 0 | 0 | 0 | 113 | L516 E556 S562 A568 | L516-H564 HydrophobicContact CB-CB 4.2Å; L516-H564 PolarHBondContact N-ND1 2.86Å; E556-H564 IonicContact OE2-NE2 3.96Å; S562-H564 PolarHBondContact O-N 2.87Å; S562-H564 VanDerWaalsContact O-N 3.1Å; S562-H564 WeakPolarHBondContact OG-CB 3.17Å; S562-H564 PolarHBondContact OG-N 3.35Å; S562-H564 VanDerWaalsContact OG-N 3.15Å; H564-A568 WeakPolarHBondContact O-CA 3.36Å; H564-A568 WeakPolarHBondContact O-CB 3.34Å; H564-A568 PolarHBondContact O-N 3.02Å |
| 565 | S | 95.3 | Very high | 95 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.7 | -45.4 | 176.9 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | N500 D501 S562 F567 A568 | N500-S565 PolarHBondContact N-OG 2.98Å; N500-S565 VanDerWaalsContact N-OG 3.09Å; D501-S565 VanDerWaalsContact CG-OG 3.29Å; D501-S565 PolarHBondContact N-OG 3.26Å; D501-S565 WeakPolarHBondContact OD1-CB 3.43Å; D501-S565 PolarHBondContact OD1-OG 3.45Å; S562-S565 PolarHBondContact O-N 3.03Å; S565-F567 VanDerWaalsContact C-N 3.29Å; S565-F567 PolarHBondContact O-N 2.86Å; S565-A568 WeakPolarHBondContact O-CB 3.49Å; S565-A568 PolarHBondContact O-N 3.48Å |
| 566 | A | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.6 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A497 F499 D546 A548 V561 S562 | A497-A566 WeakPolarHBondContact O-CA 3.04Å; F499-A566 WeakPolarHBondContact CD2-O 3.16Å; D546-A566 VanDerWaalsContact OD2-O 3.11Å; A548-A566 HydrophobicContact CB-CB 3.71Å; V561-A566 HydrophobicContact CG1-CB 4.3Å; S562-A566 PolarHBondContact O-N 2.66Å |
| 567 | F | 97.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.6 | 179 | -58.2 | -43.5 | 0 | 0 | 0 | 114.6 | L516 D546 A548 T563 S565 L569 R570 E582 I584 | L516-F567 HydrophobicContact CD2-CB 3.69Å; L516-F567 VanDerWaalsContact CD2-O 3.25Å; L516-F567 WeakPolarHBondContact CD2-O 3.04Å; D546-F567 HydrophobicContact CB-CD1 3.83Å; D546-F567 HydrophobicContact CB-CE1 3.87Å; A548-F567 HydrophobicContact CB-CD2 4.33Å; A548-F567 HydrophobicContact CB-CE1 3.95Å; A548-F567 HydrophobicContact CB-CE2 3.57Å; A548-F567 HydrophobicContact CB-CZ 3.34Å; T563-F567 VanDerWaalsContact O-CD2 3.25Å; T563-F567 WeakPolarHBondContact O-CD2 3.41Å; T563-F567 PolarHBondContact O-N 2.95Å; T563-F567 VanDerWaalsContact O-N 3.1Å; S565-F567 VanDerWaalsContact C-N 3.29Å; S565-F567 PolarHBondContact O-N 2.86Å; F567-L569 PolarHBondContact O-N 3Å; F567-L569 VanDerWaalsContact O-N 3.12Å; F567-R570 WeakPolarHBondContact O-CB 3.43Å; F567-R570 PolarHBondContact O-N 2.92Å; F567-E582 HydrophobicContact CD1-CB 4.27Å; F567-E582 HydrophobicContact CD1-CG 3.8Å; F567-E582 HydrophobicContact CE1-CB 3.88Å; F567-E582 HydrophobicContact CE1-CG 3.92Å; F567-E582 HydrophobicContact CG-CG 4.34Å; F567-E582 HydrophobicContact CZ-CB 4.12Å; F567-I584 HydrophobicContact CE2-CD1 3.92Å; F567-I584 HydrophobicContact CE2-CG1 3.65Å; F567-I584 HydrophobicContact CZ-CG1 3.79Å |
| 568 | A | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N500 Y528 H564 S565 R570 | N500-A568 HydrophobicContact CB-CB 3.44Å; N500-A568 VanDerWaalsContact CB-CB 3.44Å; Y528-A568 HydrophobicContact CD2-CB 4.07Å; Y528-A568 HydrophobicContact CE2-CB 4.2Å; Y528-A568 WeakPolarHBondContact CE2-O 3.05Å; H564-A568 WeakPolarHBondContact O-CA 3.36Å; H564-A568 WeakPolarHBondContact O-CB 3.34Å; H564-A568 PolarHBondContact O-N 3.02Å; S565-A568 WeakPolarHBondContact O-CB 3.49Å; S565-A568 PolarHBondContact O-N 3.48Å; A568-R570 VanDerWaalsContact C-N 3.29Å; A568-R570 PolarHBondContact O-N 3.32Å |
| 569 | L | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6.8 | -178.4 | -54.5 | -179.5 | 0 | 0 | 0 | 114.1 | L475 F499 Y528 F531 M535 F567 L571 L572 F573 | L475-L569 HydrophobicContact CD2-CD1 3.4Å; F499-L569 HydrophobicContact CB-CD1 3.66Å; F499-L569 HydrophobicContact CB-CD2 4.26Å; F499-L569 HydrophobicContact CB-CG 3.6Å; F499-L569 HydrophobicContact CD1-CD1 3.62Å; F499-L569 HydrophobicContact CD1-CG 4.5Å; F499-L569 HydrophobicContact CD2-CD1 3.82Å; F499-L569 HydrophobicContact CD2-CG 4.11Å; F499-L569 HydrophobicContact CE1-CD1 4.15Å; F499-L569 HydrophobicContact CE2-CD1 4.32Å; F499-L569 HydrophobicContact CG-CD1 3.44Å; F499-L569 VanDerWaalsContact CG-CD1 3.44Å; F499-L569 HydrophobicContact CG-CG 3.86Å; F499-L569 HydrophobicContact CZ-CD1 4.46Å; Y528-L569 HydrophobicContact CD2-CD2 3.71Å; Y528-L569 HydrophobicContact CE2-CD2 3.79Å; Y528-L569 HydrophobicContact CG-CD2 4.49Å; F531-L569 HydrophobicContact CB-CD1 4.23Å; F531-L569 HydrophobicContact CB-CD2 3.86Å; F531-L569 HydrophobicContact CD2-CD1 3.88Å; F531-L569 HydrophobicContact CD2-CD2 4.19Å; F531-L569 HydrophobicContact CE2-CD1 4.45Å; F531-L569 HydrophobicContact CG-CD1 4.09Å; F531-L569 HydrophobicContact CG-CD2 4.39Å; M535-L569 HydrophobicContact CE-CD1 4.17Å; F567-L569 PolarHBondContact O-N 3Å; F567-L569 VanDerWaalsContact O-N 3.12Å; L569-L571 VanDerWaalsContact C-N 3.3Å; L569-L571 PolarHBondContact O-N 3.21Å; L569-L571 VanDerWaalsContact O-N 3.12Å; L569-L572 HydrophobicContact CD2-CD1 3.69Å; L569-L572 WeakPolarHBondContact O-CA 3.48Å; L569-L572 WeakPolarHBondContact O-CB 3.45Å; L569-L572 PolarHBondContact O-N 2.89Å; L569-F573 HydrophobicContact CB-CD2 3.74Å; L569-F573 HydrophobicContact CB-CE2 3.6Å; L569-F573 HydrophobicContact CB-CZ 4.35Å; L569-F573 HydrophobicContact CD1-CE2 4.03Å; L569-F573 HydrophobicContact CD1-CZ 4.08Å; L569-F573 HydrophobicContact CG-CE2 4.43Å; L569-F573 PolarHBondContact O-N 2.88Å |
| 570 | R | 97.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 35 Ų | 35 | 28% | 0.275 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -39.8 | -54.3 | -179.8 | 169.6 | -173.3 | -65.2 | 163.9 | 1.4 | 113.7 | F567 A568 F573 L574 Y580 E582 | F567-R570 WeakPolarHBondContact O-CB 3.43Å; F567-R570 PolarHBondContact O-N 2.92Å; A568-R570 VanDerWaalsContact C-N 3.29Å; A568-R570 PolarHBondContact O-N 3.32Å; R570-F573 PolarHBondContact O-N 3.5Å; R570-L574 HydrophobicContact CG-CD1 3.95Å; R570-L574 WeakPolarHBondContact O-CB 3.48Å; R570-L574 VanDerWaalsContact O-CG 3.28Å; R570-L574 WeakPolarHBondContact O-CG 3.31Å; R570-L574 PolarHBondContact O-N 2.79Å; R570-Y580 HydrophobicContact CB-CE1 3.94Å; R570-Y580 HydrophobicContact CG-CE1 3.87Å; R570-E582 IonicContact CZ-OE1 3.29Å; R570-E582 VanDerWaalsContact CZ-OE1 3.29Å; R570-E582 IonicContact CZ-OE2 3.45Å; R570-E582 IonicContact NE-OE1 2.65Å; R570-E582 PolarHBondContact NE-OE1 3.4Å; R570-E582 IonicContact NE-OE2 3.49Å; R570-E582 PolarHBondContact NE-OE2 2.92Å; R570-E582 VanDerWaalsContact NH2-CD 3.29Å; R570-E582 IonicContact NH2-OE1 2.67Å; R570-E582 PolarHBondContact NH2-OE1 3.08Å; R570-E582 VanDerWaalsContact NH2-OE1 3.1Å; R570-E582 IonicContact NH2-OE2 3.02Å; R570-E582 PolarHBondContact NH2-OE2 3.38Å |
| 571 | L | 96.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 35% | 0.351 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.3 | -37.6 | -176.3 | -64.2 | -176.4 | 0 | 0 | 0 | 112.2 | K519 L569 L574 E575 | K519-L571 WeakPolarHBondContact O-CD1 3.23Å; L569-L571 VanDerWaalsContact C-N 3.3Å; L569-L571 PolarHBondContact O-N 3.21Å; L569-L571 VanDerWaalsContact O-N 3.12Å; L571-L574 PolarHBondContact O-N 2.81Å; L571-E575 PolarHBondContact O-N 2.69Å; L571-E575 VanDerWaalsContact O-N 3.11Å |
| 572 | L | 96.9 | Very high | 97 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 178.5 | -64.5 | 173.4 | 0 | 0 | 0 | 111.1 | Y528 D532 M535 L569 E575 H576 | Y528-L572 HydrophobicContact CE2-CD1 4.49Å; D532-L572 HydrophobicContact CB-CD1 4.16Å; M535-L572 HydrophobicContact CE-CB 3.97Å; M535-L572 HydrophobicContact CE-CD1 4.18Å; M535-L572 HydrophobicContact CG-CB 4.08Å; L569-L572 HydrophobicContact CD2-CD1 3.69Å; L569-L572 WeakPolarHBondContact O-CA 3.48Å; L569-L572 WeakPolarHBondContact O-CB 3.45Å; L569-L572 PolarHBondContact O-N 2.89Å; L572-E575 PolarHBondContact O-N 3.22Å; L572-H576 WeakPolarHBondContact O-CB 3.42Å; L572-H576 PolarHBondContact O-CD2 3.23Å; L572-H576 VanDerWaalsContact O-CD2 3.26Å; L572-H576 PolarHBondContact O-N 2.99Å |
| 573 | F | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -38.6 | 174.7 | -73.1 | -52.6 | 0 | 0 | 0 | 112.8 | L475 F492 F499 M535 L538 V544 L569 R570 E575 H576 A577 Y580 | L475-F573 HydrophobicContact CD1-CE1 4.1Å; L475-F573 HydrophobicContact CD1-CZ 4.29Å; L475-F573 HydrophobicContact CD2-CE1 4.46Å; L475-F573 HydrophobicContact CD2-CZ 3.95Å; F492-F573 HydrophobicContact CE1-CZ 4.32Å; F499-F573 HydrophobicContact CE2-CE2 4.31Å; M535-F573 HydrophobicContact SD-CD1 4.48Å; M535-F573 HydrophobicContact SD-CE1 4.37Å; L538-F573 HydrophobicContact CD2-CD1 4.16Å; L538-F573 HydrophobicContact CD2-CE1 4.4Å; V544-F573 HydrophobicContact CB-CD1 4.33Å; V544-F573 HydrophobicContact CG1-CD1 4.08Å; V544-F573 HydrophobicContact CG1-CD2 4.22Å; V544-F573 HydrophobicContact CG1-CE1 4.07Å; V544-F573 HydrophobicContact CG1-CE2 4.18Å; V544-F573 HydrophobicContact CG1-CG 4.17Å; V544-F573 HydrophobicContact CG1-CZ 4.11Å; V544-F573 HydrophobicContact CG2-CD1 3.88Å; V544-F573 HydrophobicContact CG2-CE1 4.07Å; L569-F573 HydrophobicContact CB-CD2 3.74Å; L569-F573 HydrophobicContact CB-CE2 3.6Å; L569-F573 HydrophobicContact CB-CZ 4.35Å; L569-F573 HydrophobicContact CD1-CE2 4.03Å; L569-F573 HydrophobicContact CD1-CZ 4.08Å; L569-F573 HydrophobicContact CG-CE2 4.43Å; L569-F573 PolarHBondContact O-N 2.88Å; R570-F573 PolarHBondContact O-N 3.5Å; F573-E575 PolarHBondContact O-N 2.84Å; F573-H576 PolarHBondContact O-N 3.13Å; F573-A577 VanDerWaalsContact O-CB 3.23Å; F573-A577 WeakPolarHBondContact O-CB 3.22Å; F573-A577 PolarHBondContact O-N 3.14Å; F573-Y580 HydrophobicContact CB-CD1 4.42Å; F573-Y580 HydrophobicContact CB-CD2 3.31Å; F573-Y580 HydrophobicContact CB-CE2 3.69Å; F573-Y580 HydrophobicContact CB-CG 3.71Å; F573-Y580 AromaticContact CD2-CD2 3.8Å; F573-Y580 HydrophobicContact CD2-CD2 3.8Å; F573-Y580 AromaticContact CD2-CE2 3.29Å; F573-Y580 HydrophobicContact CD2-CE2 3.29Å; F573-Y580 HydrophobicContact CE2-CE2 4.13Å; F573-Y580 AromaticContact CG-CD2 3.76Å; F573-Y580 HydrophobicContact CG-CD2 3.76Å; F573-Y580 AromaticContact CG-CE2 3.78Å; F573-Y580 HydrophobicContact CG-CE2 3.78Å |
| 574 | L | 96.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 44.6 Ų | 44.6 | 55% | 0.55 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -32.3 | 175 | -76 | 168.6 | 0 | 0 | 0 | 112.7 | R570 L571 Y580 | R570-L574 HydrophobicContact CG-CD1 3.95Å; R570-L574 WeakPolarHBondContact O-CB 3.48Å; R570-L574 VanDerWaalsContact O-CG 3.28Å; R570-L574 WeakPolarHBondContact O-CG 3.31Å; R570-L574 PolarHBondContact O-N 2.79Å; L571-L574 PolarHBondContact O-N 2.81Å; L574-Y580 HydrophobicContact CD2-CD1 4.22Å; L574-Y580 HydrophobicContact CG-CD1 4.03Å |
| 575 | E | 96.7 | Very high | 97.4 | Very high | 149 Ų | 149 | 43.2 Ų | 43.2 | 70% | 0.696 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -79.5 | -39.5 | 178.4 | -176.2 | 171.2 | 178.5 | 0 | 0 | 113 | L571 L572 F573 | L571-E575 PolarHBondContact O-N 2.69Å; L571-E575 VanDerWaalsContact O-N 3.11Å; L572-E575 PolarHBondContact O-N 3.22Å; F573-E575 PolarHBondContact O-N 2.84Å |
| 576 | H | 97.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -107.2 | -24 | -167.3 | -68.7 | -77.4 | 0 | 0 | 0 | 115.7 | M535 L538 L572 F573 | M535-H576 HydrophobicContact CG-CB 3.79Å; M535-H576 WeakPolarHBondContact CG-CD2 3.36Å; L538-H576 HydrophobicContact CB-CB 4.45Å; L538-H576 HydrophobicContact CD2-CB 4.15Å; L572-H576 WeakPolarHBondContact O-CB 3.42Å; L572-H576 PolarHBondContact O-CD2 3.23Å; L572-H576 VanDerWaalsContact O-CD2 3.26Å; L572-H576 PolarHBondContact O-N 2.99Å; F573-H576 PolarHBondContact O-N 3.13Å |
| 577 | A | 97.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -93.1 | 156 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L538 I542 V544 F573 S579 | L538-A577 HydrophobicContact CD2-CB 4.12Å; I542-A577 HydrophobicContact CG2-CB 3.97Å; V544-A577 HydrophobicContact CG2-CB 3.88Å; F573-A577 VanDerWaalsContact O-CB 3.23Å; F573-A577 WeakPolarHBondContact O-CB 3.22Å; F573-A577 PolarHBondContact O-N 3.14Å; A577-S579 VanDerWaalsContact C-N 3.27Å; A577-S579 PolarHBondContact O-N 3.23Å |
| 578 | K | 97.8 | Very high | 97 | Very high | 108 Ų | 108 | 56.9 Ų | 56.9 | 47% | 0.47 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -62.8 | -35 | 176 | -177.1 | 172.1 | -169.9 | 156.2 | 0 | 112.8 | K540 E541 I542 R543 | K540-K578 PolarHBondContact O-N 3.14Å; E541-K578 WeakPolarHBondContact O-CD 3.37Å; E541-K578 WeakPolarHBondContact OE2-CD 3.23Å; E541-K578 WeakPolarHBondContact OE2-CE 3.38Å; E541-K578 IonicContact OE2-NZ 2.78Å; E541-K578 PolarHBondContact OE2-NZ 3.29Å; I542-K578 VanDerWaalsContact O-CB 3.31Å; I542-K578 WeakPolarHBondContact O-CB 3.26Å; I542-K578 PolarHBondContact O-N 2.84Å; R543-K578 HydrophobicContact CG-CB 4.43Å; R543-K578 HydrophobicContact CG-CD 4.48Å |
| 579 | S | 97.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 143.3 | 174.2 | 64.9 | 0 | 0 | 0 | 0 | 109.8 | R543 V544 A577 | R543-S579 WeakPolarHBondContact CB-OG 3.39Å; R543-S579 VanDerWaalsContact CG-OG 3.31Å; R543-S579 WeakPolarHBondContact CG-OG 3.16Å; V544-S579 PolarHBondContact N-O 2.84Å; A577-S579 VanDerWaalsContact C-N 3.27Å; A577-S579 PolarHBondContact O-N 3.23Å |
| 580 | Y | 98.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 12% | 0.122 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.2 | 175.3 | 179.6 | -113.5 | 0 | 0 | 0 | 109.8 | V544 D546 R570 F573 L574 E582 | V544-Y580 HydrophobicContact CB-CD2 3.97Å; V544-Y580 HydrophobicContact CG1-CD2 3.8Å; V544-Y580 HydrophobicContact CG1-CE2 4.01Å; V544-Y580 WeakPolarHBondContact O-CA 3.46Å; D546-Y580 HydrophobicContact CB-CE2 3.64Å; D546-Y580 WeakPolarHBondContact CB-OH 3.31Å; D546-Y580 PolarHBondContact OD2-OH 2.64Å; R570-Y580 HydrophobicContact CB-CE1 3.94Å; R570-Y580 HydrophobicContact CG-CE1 3.87Å; F573-Y580 HydrophobicContact CB-CD1 4.42Å; F573-Y580 HydrophobicContact CB-CD2 3.31Å; F573-Y580 HydrophobicContact CB-CE2 3.69Å; F573-Y580 HydrophobicContact CB-CG 3.71Å; F573-Y580 AromaticContact CD2-CD2 3.8Å; F573-Y580 HydrophobicContact CD2-CD2 3.8Å; F573-Y580 AromaticContact CD2-CE2 3.29Å; F573-Y580 HydrophobicContact CD2-CE2 3.29Å; F573-Y580 HydrophobicContact CE2-CE2 4.13Å; F573-Y580 AromaticContact CG-CD2 3.76Å; F573-Y580 HydrophobicContact CG-CD2 3.76Å; F573-Y580 AromaticContact CG-CE2 3.78Å; F573-Y580 HydrophobicContact CG-CE2 3.78Å; L574-Y580 HydrophobicContact CD2-CD1 4.22Å; L574-Y580 HydrophobicContact CG-CD1 4.03Å; Y580-E582 HydrophobicContact CD1-CG 4.42Å; Y580-E582 HydrophobicContact CE1-CG 3.5Å; Y580-E582 VanDerWaalsContact CE1-OE1 3.29Å; Y580-E582 WeakPolarHBondContact CE1-OE1 3.44Å; Y580-E582 PolarHBondContact OH-OE1 3.23Å |
| 581 | Q | 98.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.9 | 173.9 | -66 | -178 | 38.9 | 0 | 0 | 109.3 | V544 L545 D546 | V544-Q581 PolarHBondContact O-N 3.29Å; L545-Q581 CarbonylContact C-O 3.48Å; L545-Q581 WeakPolarHBondContact CA-O 3.43Å; L545-Q581 HydrophobicContact CD1-CB 3.89Å; D546-Q581 PolarHBondContact N-O 2.89Å |
| 582 | E | 98.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 53.6 Ų | 53.6 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 148.6 | 171.6 | -65.8 | 177 | 174.5 | 0 | 0 | 110.1 | D546 F567 R570 Y580 | D546-E582 HydrophobicContact CB-CG 4.43Å; D546-E582 CarbonylContact O-C 3.33Å; D546-E582 VanDerWaalsContact O-CA 3.3Å; D546-E582 WeakPolarHBondContact O-CA 3.35Å; F567-E582 HydrophobicContact CD1-CB 4.27Å; F567-E582 HydrophobicContact CD1-CG 3.8Å; F567-E582 HydrophobicContact CE1-CB 3.88Å; F567-E582 HydrophobicContact CE1-CG 3.92Å; F567-E582 HydrophobicContact CG-CG 4.34Å; F567-E582 HydrophobicContact CZ-CB 4.12Å; R570-E582 IonicContact CZ-OE1 3.29Å; R570-E582 VanDerWaalsContact CZ-OE1 3.29Å; R570-E582 IonicContact CZ-OE2 3.45Å; R570-E582 IonicContact NE-OE1 2.65Å; R570-E582 PolarHBondContact NE-OE1 3.4Å; R570-E582 IonicContact NE-OE2 3.49Å; R570-E582 PolarHBondContact NE-OE2 2.92Å; R570-E582 VanDerWaalsContact NH2-CD 3.29Å; R570-E582 IonicContact NH2-OE1 2.67Å; R570-E582 PolarHBondContact NH2-OE1 3.08Å; R570-E582 VanDerWaalsContact NH2-OE1 3.1Å; R570-E582 IonicContact NH2-OE2 3.02Å; R570-E582 PolarHBondContact NH2-OE2 3.38Å; Y580-E582 HydrophobicContact CD1-CG 4.42Å; Y580-E582 HydrophobicContact CE1-CG 3.5Å; Y580-E582 VanDerWaalsContact CE1-OE1 3.29Å; Y580-E582 WeakPolarHBondContact CE1-OE1 3.44Å; Y580-E582 PolarHBondContact OH-OE1 3.23Å |
| 583 | F | 98.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 137.4 | 174.3 | -173.5 | -112.9 | 0 | 0 | 0 | 110.6 | L545 D546 V547 A548 V585 E600 K604 | L545-F583 HydrophobicContact CD1-CB 4.12Å; D546-F583 PolarHBondContact O-N 2.87Å; V547-F583 CarbonylContact C-O 3.56Å; V547-F583 VanDerWaalsContact CA-O 3.27Å; V547-F583 WeakPolarHBondContact CA-O 3.39Å; V547-F583 HydrophobicContact CG1-CB 4.49Å; V547-F583 HydrophobicContact CG1-CD1 4.03Å; V547-F583 HydrophobicContact CG2-CB 4.36Å; A548-F583 PolarHBondContact N-O 3.4Å; F583-V585 HydrophobicContact CD1-CG2 4.09Å; F583-V585 HydrophobicContact CE1-CG2 3.76Å; F583-E600 HydrophobicContact CE1-CB 4.22Å; F583-E600 HydrophobicContact CZ-CB 4.14Å; F583-K604 HydrophobicContact CB-CD 4.35Å; F583-K604 HydrophobicContact CB-CG 4.09Å; F583-K604 HydrophobicContact CD1-CB 3.88Å; F583-K604 HydrophobicContact CD1-CD 4.49Å; F583-K604 HydrophobicContact CD1-CG 3.78Å; F583-K604 HydrophobicContact CD2-CD 3.93Å; F583-K604 HydrophobicContact CD2-CG 4.12Å; F583-K604 HydrophobicContact CE1-CB 3.84Å; F583-K604 HydrophobicContact CE1-CG 4.22Å; F583-K604 HydrophobicContact CE2-CD 4.36Å; F583-K604 HydrophobicContact CG-CB 4.27Å; F583-K604 HydrophobicContact CG-CD 4.01Å; F583-K604 HydrophobicContact CG-CG 3.73Å; F583-K604 HydrophobicContact CZ-CB 4.2Å |
| 584 | I | 98.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.4 | 177.6 | -58.2 | 176.5 | 0 | 0 | 0 | 108.5 | A548 D550 F567 K586 | A548-I584 VanDerWaalsContact O-CA 3.3Å; A548-I584 WeakPolarHBondContact O-CA 3.35Å; D550-I584 HydrophobicContact CB-CG2 3.68Å; F567-I584 HydrophobicContact CE2-CD1 3.92Å; F567-I584 HydrophobicContact CE2-CG1 3.65Å; F567-I584 HydrophobicContact CZ-CG1 3.79Å; I584-K586 HydrophobicContact CG2-CG 3.79Å |
| 585 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.1 | 168.3 | -177 | 0 | 0 | 0 | 0 | 108.1 | V547 A548 G549 D550 F583 S589 G590 I595 S598 E600 L601 | V547-V585 HydrophobicContact CG1-CG2 4.11Å; A548-V585 PolarHBondContact O-N 2.77Å; G549-V585 WeakPolarHBondContact CA-O 3.45Å; D550-V585 PolarHBondContact N-O 2.84Å; F583-V585 HydrophobicContact CD1-CG2 4.09Å; F583-V585 HydrophobicContact CE1-CG2 3.76Å; V585-S589 WeakPolarHBondContact CG1-O 3.47Å; V585-S589 WeakPolarHBondContact CG1-OG 3.39Å; V585-G590 WeakPolarHBondContact O-CA 3.34Å; V585-I595 HydrophobicContact CB-CD1 4.04Å; V585-I595 HydrophobicContact CB-CG1 3.91Å; V585-I595 HydrophobicContact CG1-CG1 4.31Å; V585-I595 HydrophobicContact CG2-CD1 3.99Å; V585-I595 HydrophobicContact CG2-CG1 3.77Å; V585-S598 VanDerWaalsContact CG1-OG 3.28Å; V585-S598 WeakPolarHBondContact CG1-OG 3.46Å; V585-E600 HydrophobicContact CG1-CB 4.39Å; V585-L601 HydrophobicContact CG2-CB 4.15Å |
| 586 | K | 96.1 | Very high | 94.9 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.4 | -166.5 | -68.3 | -178.2 | -178.7 | 176.8 | 0 | 113.1 | D550 K552 I584 S589 | D550-K586 CarbonylContact O-C 3.6Å; D550-K586 WeakPolarHBondContact O-CA 3.29Å; K552-K586 HydrophobicContact CD-CB 4.01Å; K552-K586 HydrophobicContact CD-CD 4.25Å; K552-K586 HydrophobicContact CD-CG 4.09Å; K552-K586 HydrophobicContact CG-CB 4.21Å; I584-K586 HydrophobicContact CG2-CG 3.79Å; K586-S589 PolarHBondContact O-OG 3.37Å |
| 587 | G | 94.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | 83.6 | -154.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D550 S589 G590 | D550-G587 PolarHBondContact O-N 2.92Å; G587-S589 PolarHBondContact O-N 2.92Å; G587-S589 VanDerWaalsContact O-N 3.12Å; G587-G590 WeakPolarHBondContact O-CA 3.47Å; G587-G590 PolarHBondContact O-N 3.2Å |
| 588 | K | 90.7 | Very high | 94.3 | Very high | 167 Ų | 167 | 49.4 Ų | 49.4 | 73% | 0.726 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -55.5 | -32.6 | -179.4 | -68.1 | -167.3 | 173.8 | -164.8 | 0 | 113.3 | D176 G590 G591 | D176-K588 IonicContact OD1-NZ 3.99Å; D176-K588 PolarHBondContact OD1-NZ 2.82Å; K588-G590 PolarHBondContact O-N 2.95Å; K588-G591 PolarHBondContact O-N 2.81Å |
| 589 | S | 92.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 48 Ų | 48 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -69.2 | -17.4 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | V585 K586 G587 I595 E600 | V585-S589 WeakPolarHBondContact CG1-O 3.47Å; V585-S589 WeakPolarHBondContact CG1-OG 3.39Å; K586-S589 PolarHBondContact O-OG 3.37Å; G587-S589 PolarHBondContact O-N 2.92Å; G587-S589 VanDerWaalsContact O-N 3.12Å; S589-I595 VanDerWaalsContact O-CA 3.31Å; S589-I595 WeakPolarHBondContact O-CA 3.39Å; S589-I595 PolarHBondContact O-N 3.43Å; S589-E600 PolarHBondContact OG-OE1 3.28Å; S589-E600 VanDerWaalsContact OG-OE1 3.13Å |
| 590 | G | 92.4 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -89.9 | 6.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | G549 D558 V585 G587 K588 | G549-G590 CarbonylContact C-O 3.5Å; G549-G590 WeakPolarHBondContact CA-O 3.29Å; D558-G590 WeakPolarHBondContact CA-O 3.35Å; D558-G590 WeakPolarHBondContact CB-O 3.39Å; V585-G590 WeakPolarHBondContact O-CA 3.34Å; G587-G590 WeakPolarHBondContact O-CA 3.47Å; G587-G590 PolarHBondContact O-N 3.2Å; K588-G590 PolarHBondContact O-N 2.95Å |
| 591 | G | 92.4 | Very high | 94 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -70.4 | 153 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D558 K588 S593 A594 I595 | D558-G591 CarbonylContact O-C 3.6Å; D558-G591 VanDerWaalsContact O-CA 3.28Å; D558-G591 WeakPolarHBondContact O-CA 3.36Å; K588-G591 PolarHBondContact O-N 2.81Å; G591-S593 PolarHBondContact O-N 3.4Å; G591-A594 CarbonylContact O-C 3.42Å; G591-A594 WeakPolarHBondContact O-CA 3.43Å; G591-A594 PolarHBondContact O-N 3.08Å; G591-I595 PolarHBondContact O-N 3.18Å |
| 592 | H | 91.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -53.5 | -168.5 | -163.5 | 69.5 | 0 | 0 | 0 | 113.2 | H467 S468 D558 I595 | H467-H592 AromaticContact CE1-NE2 3.84Å; H467-H592 PolarHBondContact CE1-O 3.43Å; H467-H592 VanDerWaalsContact CE1-O 3.29Å; H467-H592 PolarHBondContact NE2-O 2.92Å; H467-H592 VanDerWaalsContact NE2-O 3.1Å; S468-H592 VanDerWaalsContact CB-NE2 3.31Å; S468-H592 WeakPolarHBondContact CB-NE2 3.4Å; S468-H592 PolarHBondContact OG-CE1 3.5Å; S468-H592 PolarHBondContact OG-NE2 3.47Å; D558-H592 HydrophobicContact CB-CB 4.35Å; D558-H592 VanDerWaalsContact CG-ND1 3.28Å; D558-H592 PolarHBondContact O-N 3.26Å; D558-H592 IonicContact OD1-CG 3.03Å; D558-H592 IonicContact OD1-ND1 2.67Å; D558-H592 PolarHBondContact OD1-ND1 2.89Å; D558-H592 IonicContact OD2-CE1 2.61Å; D558-H592 IonicContact OD2-CG 2.63Å; D558-H592 IonicContact OD2-ND1 2.64Å; D558-H592 PolarHBondContact OD2-ND1 3.4Å; H592-I595 VanDerWaalsContact O-CG2 3.3Å; H592-I595 WeakPolarHBondContact O-CG2 3.4Å |
| 593 | S | 87.4 | Confident | 93.8 | Very high | 89 Ų | 89 | 50 Ų | 50 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.3 | 176.6 | -36.1 | 0 | 0 | 0 | 0 | 113.9 | G591 | G591-S593 PolarHBondContact O-N 3.4Š|
| 594 | A | 90.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -26.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G591 T596 K597 S598 | G591-A594 CarbonylContact O-C 3.42Å; G591-A594 WeakPolarHBondContact O-CA 3.43Å; G591-A594 PolarHBondContact O-N 3.08Å; A594-T596 VanDerWaalsContact C-N 3.32Å; A594-T596 PolarHBondContact O-N 2.96Å; A594-K597 CarbonylContact O-C 3.49Å; A594-K597 WeakPolarHBondContact O-CA 3.32Å; A594-K597 WeakPolarHBondContact O-CB 3.46Å; A594-K597 PolarHBondContact O-N 3.28Å; A594-S598 PolarHBondContact O-N 3.38Å |
| 595 | I | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -59.9 | -39.9 | -173.5 | -162.2 | 171.4 | 0 | 0 | 0 | 112.4 | H467 I495 V547 V585 S589 G591 H592 K597 S598 L601 | H467-I595 WeakPolarHBondContact NE2-CG2 3.29Å; I495-I595 HydrophobicContact CG2-CD1 3.87Å; I495-I595 HydrophobicContact CG2-CG1 4.12Å; I495-I595 HydrophobicContact CG2-CG2 3.69Å; V547-I595 HydrophobicContact CG1-CD1 4.04Å; V585-I595 HydrophobicContact CB-CD1 4.04Å; V585-I595 HydrophobicContact CB-CG1 3.91Å; V585-I595 HydrophobicContact CG1-CG1 4.31Å; V585-I595 HydrophobicContact CG2-CD1 3.99Å; V585-I595 HydrophobicContact CG2-CG1 3.77Å; S589-I595 VanDerWaalsContact O-CA 3.31Å; S589-I595 WeakPolarHBondContact O-CA 3.39Å; S589-I595 PolarHBondContact O-N 3.43Å; G591-I595 PolarHBondContact O-N 3.18Å; H592-I595 VanDerWaalsContact O-CG2 3.3Å; H592-I595 WeakPolarHBondContact O-CG2 3.4Å; I595-K597 PolarHBondContact O-N 3.04Å; I595-K597 VanDerWaalsContact O-N 3.16Å; I595-S598 WeakPolarHBondContact O-CB 3.46Å; I595-S598 PolarHBondContact O-N 2.85Å; I595-L601 WeakPolarHBondContact O-CD2 3.25Å |
| 596 | T | 92 | Very high | 93.7 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -66.1 | -18 | 177.7 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | S386 F387 H467 A594 | S386-T596 WeakPolarHBondContact O-CB 3.44Å; S386-T596 PolarHBondContact O-OG1 2.9Å; F387-T596 HydrophobicContact CE1-CG2 4.11Å; F387-T596 HydrophobicContact CZ-CG2 4.48Å; H467-T596 HydrophobicContact CB-CG2 4.13Å; A594-T596 VanDerWaalsContact C-N 3.32Å; A594-T596 PolarHBondContact O-N 2.96Å |
| 597 | K | 89.3 | Confident | 93.7 | Very high | 110 Ų | 110 | 46.5 Ų | 46.5 | 48% | 0.478 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -96.6 | -7.1 | 176.9 | -56.3 | 173.5 | -171 | 172 | 0 | 112.2 | R393 A594 I595 | R393-K597 PolarHBondContact NH1-O 2.9Å; R393-K597 PolarHBondContact NH2-O 3.28Å; R393-K597 VanDerWaalsContact NH2-O 3.17Å; A594-K597 CarbonylContact O-C 3.49Å; A594-K597 WeakPolarHBondContact O-CA 3.32Å; A594-K597 WeakPolarHBondContact O-CB 3.46Å; A594-K597 PolarHBondContact O-N 3.28Å; I595-K597 PolarHBondContact O-N 3.04Å; I595-K597 VanDerWaalsContact O-N 3.16Å |
| 598 | S | 93.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | trans | -66.7 | 133.3 | -176.3 | 177.9 | 0 | 0 | 0 | 0 | 113.2 | V585 A594 I595 E600 L601 E602 | V585-S598 VanDerWaalsContact CG1-OG 3.28Å; V585-S598 WeakPolarHBondContact CG1-OG 3.46Å; A594-S598 PolarHBondContact O-N 3.38Å; I595-S598 WeakPolarHBondContact O-CB 3.46Å; I595-S598 PolarHBondContact O-N 2.85Å; S598-E600 VanDerWaalsContact C-N 3.25Å; S598-E600 PolarHBondContact O-N 2.84Å; S598-E600 WeakPolarHBondContact OG-CB 3.26Å; S598-E600 PolarHBondContact OG-N 2.89Å; S598-E600 VanDerWaalsContact OG-N 3.13Å; S598-L601 PolarHBondContact O-N 3.17Å; S598-E602 PolarHBondContact O-N 3.1Å | ||
| 599 | A | 94.1 | Very high | 94.1 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66.1 | -28.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K603 | A599-K603 WeakPolarHBondContact O-CB 3.42Å; A599-K603 PolarHBondContact O-N 3.08Å |
| 600 | E | 95.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 37 Ų | 37 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.1 | -45.3 | 176.1 | -65.4 | 177.2 | -96.6 | 0 | 0 | 111.1 | F583 V585 S589 S598 K603 K604 | F583-E600 HydrophobicContact CE1-CB 4.22Å; F583-E600 HydrophobicContact CZ-CB 4.14Å; V585-E600 HydrophobicContact CG1-CB 4.39Å; S589-E600 PolarHBondContact OG-OE1 3.28Å; S589-E600 VanDerWaalsContact OG-OE1 3.13Å; S598-E600 VanDerWaalsContact C-N 3.25Å; S598-E600 PolarHBondContact O-N 2.84Å; S598-E600 WeakPolarHBondContact OG-CB 3.26Å; S598-E600 PolarHBondContact OG-N 2.89Å; S598-E600 VanDerWaalsContact OG-N 3.13Å; E600-K603 PolarHBondContact O-N 2.82Å; E600-K604 WeakPolarHBondContact O-CB 3.29Å; E600-K604 PolarHBondContact O-N 3.06Å |
| 601 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 173.4 | 173.8 | 70.1 | 0 | 0 | 0 | 110.3 | I495 V547 V585 I595 S598 K603 K604 L605 | I495-L601 HydrophobicContact CD1-CD1 4.04Å; I495-L601 HydrophobicContact CD1-CD2 3.87Å; I495-L601 HydrophobicContact CG1-CD1 4.13Å; I495-L601 HydrophobicContact CG2-CD1 4.46Å; I495-L601 HydrophobicContact CG2-CD2 4.37Å; V547-L601 HydrophobicContact CB-CD1 4.4Å; V547-L601 HydrophobicContact CG1-CD1 3.97Å; V547-L601 HydrophobicContact CG2-CD1 4.08Å; V585-L601 HydrophobicContact CG2-CB 4.15Å; I595-L601 WeakPolarHBondContact O-CD2 3.25Å; S598-L601 PolarHBondContact O-N 3.17Å; L601-K603 PolarHBondContact O-N 3.04Å; L601-K604 CarbonylContact O-C 3.45Å; L601-K604 PolarHBondContact O-N 3.34Å; L601-K604 VanDerWaalsContact O-N 3.08Å; L601-L605 HydrophobicContact CD1-CD1 4.2Å; L601-L605 HydrophobicContact CD1-CG 4.06Å; L601-L605 HydrophobicContact CD2-CD1 4.31Å; L601-L605 HydrophobicContact CG-CD1 3.91Å; L601-L605 HydrophobicContact CG-CG 4.18Å; L601-L605 WeakPolarHBondContact O-CG 3.4Å; L601-L605 PolarHBondContact O-N 3.45Å |
| 602 | E | 96.5 | Very high | 93.9 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.5 | -50.4 | -180 | 179.7 | 167.7 | 169.4 | 0 | 0 | 111.6 | L390 R393 L394 S598 K604 L605 I606 | L390-E602 HydrophobicContact CD1-CB 3.77Å; L390-E602 HydrophobicContact CD1-CG 3.77Å; R393-E602 WeakPolarHBondContact CB-OE1 3.23Å; R393-E602 IonicContact CZ-OE2 3.31Å; R393-E602 VanDerWaalsContact CZ-OE2 3.25Å; R393-E602 IonicContact NE-OE2 3.27Å; R393-E602 PolarHBondContact NE-OE2 3.2Å; R393-E602 IonicContact NH2-OE2 3.38Å; R393-E602 PolarHBondContact NH2-OE2 3.02Å; L394-E602 HydrophobicContact CD2-CG 4.19Å; S598-E602 PolarHBondContact O-N 3.1Å; E602-K604 VanDerWaalsContact C-N 3.28Å; E602-K604 PolarHBondContact O-N 3.05Å; E602-L605 PolarHBondContact O-N 2.72Å; E602-I606 HydrophobicContact CG-CD1 3.96Å; E602-I606 VanDerWaalsContact O-CG1 3.23Å; E602-I606 WeakPolarHBondContact O-CG1 3.46Å; E602-I606 PolarHBondContact O-N 3.14Å |
| 603 | K | 96.1 | Very high | 93 | Very high | 162 Ų | 162 | 50.9 Ų | 50.9 | 70% | 0.704 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.5 | -41.1 | 176.1 | -176.1 | 179.8 | 177.8 | -177.3 | 0 | 112.1 | A599 E600 L601 I606 E607 | A599-K603 WeakPolarHBondContact O-CB 3.42Å; A599-K603 PolarHBondContact O-N 3.08Å; E600-K603 PolarHBondContact O-N 2.82Å; L601-K603 PolarHBondContact O-N 3.04Å; K603-I606 PolarHBondContact O-N 2.82Å; K603-E607 PolarHBondContact O-N 3.12Å |
| 604 | K | 97.6 | Very high | 91.3 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 178.8 | -174.9 | 66.8 | -174.4 | 174.1 | 0 | 112.2 | L545 F583 E600 L601 E602 E607 F608 | L545-K604 HydrophobicContact CD1-CG 4.32Å; L545-K604 HydrophobicContact CD2-CG 3.8Å; F583-K604 HydrophobicContact CB-CD 4.35Å; F583-K604 HydrophobicContact CB-CG 4.09Å; F583-K604 HydrophobicContact CD1-CB 3.88Å; F583-K604 HydrophobicContact CD1-CD 4.49Å; F583-K604 HydrophobicContact CD1-CG 3.78Å; F583-K604 HydrophobicContact CD2-CD 3.93Å; F583-K604 HydrophobicContact CD2-CG 4.12Å; F583-K604 HydrophobicContact CE1-CB 3.84Å; F583-K604 HydrophobicContact CE1-CG 4.22Å; F583-K604 HydrophobicContact CE2-CD 4.36Å; F583-K604 HydrophobicContact CG-CB 4.27Å; F583-K604 HydrophobicContact CG-CD 4.01Å; F583-K604 HydrophobicContact CG-CG 3.73Å; F583-K604 HydrophobicContact CZ-CB 4.2Å; E600-K604 WeakPolarHBondContact O-CB 3.29Å; E600-K604 PolarHBondContact O-N 3.06Å; L601-K604 CarbonylContact O-C 3.45Å; L601-K604 PolarHBondContact O-N 3.34Å; L601-K604 VanDerWaalsContact O-N 3.08Å; E602-K604 VanDerWaalsContact C-N 3.28Å; E602-K604 PolarHBondContact O-N 3.05Å; K604-E607 IonicContact NZ-OE2 2.83Å; K604-E607 PolarHBondContact O-N 3.03Å; K604-F608 WeakPolarHBondContact O-CB 3.3Å; K604-F608 PolarHBondContact O-N 3.47Å |
| 605 | L | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.2 | -72.1 | 175.5 | 0 | 0 | 0 | 111.3 | L390 V465 V493 L601 E602 E607 F608 I609 W610 | L390-L605 HydrophobicContact CD2-CD1 3.71Å; V465-L605 HydrophobicContact CG1-CD2 4.29Å; V465-L605 HydrophobicContact CG2-CD2 4.37Å; V493-L605 HydrophobicContact CB-CD2 4.22Å; V493-L605 HydrophobicContact CG1-CD2 3.76Å; V493-L605 HydrophobicContact CG2-CD2 3.97Å; L601-L605 HydrophobicContact CD1-CD1 4.2Å; L601-L605 HydrophobicContact CD1-CG 4.06Å; L601-L605 HydrophobicContact CD2-CD1 4.31Å; L601-L605 HydrophobicContact CG-CD1 3.91Å; L601-L605 HydrophobicContact CG-CG 4.18Å; L601-L605 WeakPolarHBondContact O-CG 3.4Å; L601-L605 PolarHBondContact O-N 3.45Å; E602-L605 PolarHBondContact O-N 2.72Å; L605-E607 VanDerWaalsContact C-N 3.31Å; L605-E607 PolarHBondContact O-N 3.35Å; L605-F608 PolarHBondContact O-N 2.76Å; L605-I609 HydrophobicContact CD2-CD1 4.23Å; L605-I609 WeakPolarHBondContact O-CB 3.47Å; L605-I609 PolarHBondContact O-N 3.37Å; L605-W610 HydrophobicContact CB-CZ3 4.48Å |
| 606 | I | 96.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -58.4 | -46.2 | 175.2 | -62.3 | 168.6 | 0 | 0 | 0 | 110.6 | L394 V399 E602 K603 F608 W610 K611 | L394-I606 HydrophobicContact CD2-CD1 4.02Å; L394-I606 HydrophobicContact CD2-CG1 3.81Å; V399-I606 HydrophobicContact CG1-CG1 4.15Å; V399-I606 HydrophobicContact CG1-CG2 4.36Å; V399-I606 HydrophobicContact CG2-CD1 4.05Å; V399-I606 HydrophobicContact CG2-CG1 4.38Å; E602-I606 HydrophobicContact CG-CD1 3.96Å; E602-I606 VanDerWaalsContact O-CG1 3.23Å; E602-I606 WeakPolarHBondContact O-CG1 3.46Å; E602-I606 PolarHBondContact O-N 3.14Å; K603-I606 PolarHBondContact O-N 2.82Å; I606-F608 PolarHBondContact O-N 2.8Å; I606-W610 HydrophobicContact CG1-CE3 4.35Å; I606-W610 CarbonylContact O-C 3.6Å; I606-W610 PolarHBondContact O-N 2.95Å; I606-K611 PolarHBondContact O-N 2.95Å |
| 607 | E | 96.5 | Very high | 91.3 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -59.7 | -45.5 | 175.8 | 174 | 162.3 | -126.6 | 0 | 0 | 113 | K603 K604 L605 K611 | K603-E607 PolarHBondContact O-N 3.12Å; K604-E607 IonicContact NZ-OE2 2.83Å; K604-E607 PolarHBondContact O-N 3.03Å; L605-E607 VanDerWaalsContact C-N 3.31Å; L605-E607 PolarHBondContact O-N 3.35Å; E607-K611 HydrophobicContact CB-CD 4.3Å; E607-K611 HydrophobicContact CG-CD 3.89Å; E607-K611 VanDerWaalsContact O-CB 3.26Å; E607-K611 WeakPolarHBondContact O-CB 3.17Å; E607-K611 IonicContact OE1-NZ 2.77Å; E607-K611 PolarHBondContact OE1-NZ 3.25Å |
| 608 | F | 97.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 62.5 Ų | 62.5 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -77.4 | -38.7 | -171.7 | -173.6 | -110.6 | 0 | 0 | 0 | 113.3 | R491 V493 R543 L545 K604 L605 I606 | R491-F608 HydrophobicContact CB-CD1 4.48Å; R491-F608 HydrophobicContact CB-CE1 3.83Å; R491-F608 WeakPolarHBondContact CD-O 3.32Å; R491-F608 HydrophobicContact CG-CE1 4.08Å; R491-F608 HydrophobicContact CG-CZ 4.48Å; R491-F608 PolarHBondContact NE-O 2.84Å; V493-F608 HydrophobicContact CG2-CD1 3.76Å; V493-F608 HydrophobicContact CG2-CE1 3.88Å; R543-F608 HydrophobicContact CB-CE2 4.42Å; R543-F608 HydrophobicContact CB-CZ 3.93Å; L545-F608 HydrophobicContact CB-CD1 3.72Å; L545-F608 HydrophobicContact CB-CD2 4.02Å; L545-F608 HydrophobicContact CB-CE1 3.54Å; L545-F608 HydrophobicContact CB-CE2 3.88Å; L545-F608 HydrophobicContact CB-CG 3.95Å; L545-F608 HydrophobicContact CB-CZ 3.64Å; L545-F608 HydrophobicContact CD2-CB 3.95Å; L545-F608 HydrophobicContact CD2-CD1 4.05Å; L545-F608 HydrophobicContact CD2-CD2 4.49Å; L545-F608 HydrophobicContact CD2-CG 3.92Å; K604-F608 WeakPolarHBondContact O-CB 3.3Å; K604-F608 PolarHBondContact O-N 3.47Å; L605-F608 PolarHBondContact O-N 2.76Å; I606-F608 PolarHBondContact O-N 2.8Å |
| 609 | I | 97.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -97.6 | -48.2 | -172.2 | -54.5 | 178.1 | 0 | 0 | 0 | 111.6 | T374 N463 V465 V493 L605 | T374-I609 HydrophobicContact CG2-CD1 4.12Å; N463-I609 HydrophobicContact CB-CG2 4.27Å; V465-I609 HydrophobicContact CG2-CD1 3.65Å; V493-I609 HydrophobicContact CG2-CD1 4.22Å; L605-I609 HydrophobicContact CD2-CD1 4.23Å; L605-I609 WeakPolarHBondContact O-CB 3.47Å; L605-I609 PolarHBondContact O-N 3.37Å |
| 610 | W | 96.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -117.9 | 0.7 | -164.6 | -56.8 | -66.6 | 0 | 0 | 0 | 115 | V367 H368 T374 F376 L394 V399 A400 N426 L605 I606 K612 | V367-W610 CarbonylContact C-O 3.59Å; V367-W610 WeakPolarHBondContact CA-O 3.47Å; V367-W610 HydrophobicContact CG1-CB 4.19Å; H368-W610 WeakPolarHBondContact CB-O 3.44Å; H368-W610 PolarHBondContact N-O 3.32Å; T374-W610 HydrophobicContact CG2-CH2 4.37Å; T374-W610 HydrophobicContact CG2-CZ2 4.02Å; T374-W610 WeakPolarHBondContact OG1-CZ2 3.08Å; F376-W610 HydrophobicContact CZ-CH2 4.24Å; L394-W610 HydrophobicContact CD1-CH2 3.81Å; L394-W610 HydrophobicContact CD1-CZ3 3.87Å; L394-W610 HydrophobicContact CD2-CZ3 3.97Å; V399-W610 HydrophobicContact CG1-CB 4.09Å; V399-W610 HydrophobicContact CG1-CD2 3.93Å; V399-W610 HydrophobicContact CG1-CE3 3.63Å; V399-W610 HydrophobicContact CG1-CG 4.13Å; V399-W610 HydrophobicContact CG1-CZ3 4.41Å; A400-W610 HydrophobicContact CB-CH2 4.32Å; A400-W610 HydrophobicContact CB-CZ2 3.98Å; N426-W610 VanDerWaalsContact ND2-CD1 3.26Å; L605-W610 HydrophobicContact CB-CZ3 4.48Å; I606-W610 HydrophobicContact CG1-CE3 4.35Å; I606-W610 CarbonylContact O-C 3.6Å; I606-W610 PolarHBondContact O-N 2.95Å; W610-K612 PolarHBondContact O-N 2.98Å |
| 611 | K | 92.2 | Very high | 90.7 | Very high | 113 Ų | 113 | 64.1 Ų | 64.1 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 130.2 | 176.3 | -172.7 | 176 | 179.2 | 179.4 | 0 | 110.4 | I606 E607 A613 | I606-K611 PolarHBondContact O-N 2.95Å; E607-K611 HydrophobicContact CB-CD 4.3Å; E607-K611 HydrophobicContact CG-CD 3.89Å; E607-K611 VanDerWaalsContact O-CB 3.26Å; E607-K611 WeakPolarHBondContact O-CB 3.17Å; E607-K611 IonicContact OE1-NZ 2.77Å; E607-K611 PolarHBondContact OE1-NZ 3.25Å; K611-A613 PolarHBondContact O-N 3.49Å |
| 612 | K | 83.3 | Confident | 90.2 | Very high | 120 Ų | 120 | 69 Ų | 69 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 127.5 | 174.6 | -163.7 | 174.1 | -179.4 | 178.7 | 0 | 109.4 | S366 H368 W610 I614 | S366-K612 PolarHBondContact O-N 2.74Å; S366-K612 VanDerWaalsContact O-N 3.11Å; H368-K612 HydrophobicContact CB-CB 4.32Å; W610-K612 PolarHBondContact O-N 2.98Å; K612-I614 PolarHBondContact O-N 3.2Å |
| 613 | A | 72.4 | Confident | 89.7 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 76% | 0.76 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 128.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K611 | K611-A613 PolarHBondContact O-N 3.49Š|
| 614 | I | 53.2 | Low | 89.1 | Confident | 232 Ų | 232 | 66.1 Ų | 66.1 | 100% | 1.19 | 34% | 0.342 | S | S | * | . | trans | -68.8 | 0 | 177.6 | -62 | 176.6 | 0 | 0 | 0 | 109.5 | K612 | K612-I614 PolarHBondContact O-N 3.2Š|
Retrieved 614 of 614 residues in 486.5 ms
(Link to these results)