| 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 | 47.7 | Very low | 75 | Confident | 183 Ų | 183 | 52.6 Ų | 52.6 | 90% | 0.901 | 27% | 0.272 | S | S | * | . | 0 | 149.2 | 0 | -59 | -41.8 | -163.3 | 0 | 0 | 109.7 | D5 D6 | M1-D5 HydrophobicContact CB-CB 4.34Å; M1-D6 HydrophobicContact CB-CB 4.19Å | |||
| 2 | P | 67.5 | Low | 75.8 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | trans | -52.1 | 148.9 | 152.5 | -23.7 | 35.8 | 0 | 0 | 0 | 110.7 | R4 D5 D6 | P2-R4 VanDerWaalsContact C-N 3.34Å; P2-R4 PolarHBondContact O-N 3.14Å; P2-D5 HydrophobicContact CB-CB 4.41Å; P2-D5 VanDerWaalsContact CD-OD2 3.25Å; P2-D5 WeakPolarHBondContact CD-OD2 3.24Å; P2-D5 VanDerWaalsContact CG-OD2 3.23Å; P2-D5 WeakPolarHBondContact CG-OD2 3.4Å; P2-D5 PolarHBondContact O-N 2.95Å; P2-D6 PolarHBondContact O-N 2.96Å; P2-D6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | F | 72.3 | Confident | 76.6 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | -178.1 | 177 | -91.4 | 0 | 0 | 0 | 111.8 | D5 D6 L7 E1151 E1154 L1155 I1193 L1197 | F3-D5 VanDerWaalsContact C-N 3.3Å; F3-D5 PolarHBondContact O-N 3.28Å; F3-D6 PolarHBondContact O-N 3.02Å; F3-L7 HydrophobicContact CE1-CD2 4.4Å; F3-L7 WeakPolarHBondContact O-CB 3.3Å; F3-L7 PolarHBondContact O-N 3Å; F3-E1151 HydrophobicContact CB-CG 4.09Å; F3-E1151 HydrophobicContact CD1-CB 4.09Å; F3-E1151 HydrophobicContact CD1-CG 4.43Å; F3-E1151 HydrophobicContact CD2-CB 3.69Å; F3-E1151 HydrophobicContact CD2-CG 3.63Å; F3-E1151 HydrophobicContact CE1-CB 4.1Å; F3-E1151 WeakPolarHBondContact CE1-O 3.28Å; F3-E1151 HydrophobicContact CE2-CB 3.68Å; F3-E1151 HydrophobicContact CE2-CG 4.13Å; F3-E1151 HydrophobicContact CG-CB 3.89Å; F3-E1151 HydrophobicContact CG-CG 3.79Å; F3-E1151 HydrophobicContact CZ-CB 3.88Å; F3-E1151 WeakPolarHBondContact CZ-O 3.38Å; F3-E1154 HydrophobicContact CD1-CB 4.09Å; F3-E1154 WeakPolarHBondContact CD1-OE2 3.36Å; F3-E1154 HydrophobicContact CE1-CB 4.31Å; F3-L1155 HydrophobicContact CE1-CB 4.19Å; F3-L1155 HydrophobicContact CZ-CB 4.43Å; F3-I1193 HydrophobicContact CE2-CG2 4.32Å; F3-I1193 HydrophobicContact CZ-CG2 3.92Å; F3-L1197 HydrophobicContact CD2-CD1 4.32Å; F3-L1197 HydrophobicContact CE1-CD1 4.47Å; F3-L1197 HydrophobicContact CE2-CD1 3.43Å; F3-L1197 VanDerWaalsContact CE2-CD1 3.43Å; F3-L1197 HydrophobicContact CE2-CG 4.41Å; F3-L1197 HydrophobicContact CZ-CD1 3.53Å; F3-L1197 HydrophobicContact CZ-CG 4.5Å |
| 4 | R | 71.6 | Confident | 77.3 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -48.8 | -45.5 | 169.2 | 178.7 | 179.4 | 173.5 | -146.4 | -7.3 | 113.7 | P2 L7 L8 L1140 S1141 E1154 | P2-R4 VanDerWaalsContact C-N 3.34Å; P2-R4 PolarHBondContact O-N 3.14Å; R4-L7 PolarHBondContact O-N 3.44Å; R4-L8 HydrophobicContact CG-CD1 3.85Å; R4-L8 HydrophobicContact CG-CG 4.44Å; R4-L8 WeakPolarHBondContact O-CB 3.41Å; R4-L8 VanDerWaalsContact O-CG 3.24Å; R4-L8 WeakPolarHBondContact O-CG 3.17Å; R4-L8 PolarHBondContact O-N 3.17Å; R4-L1140 VanDerWaalsContact CZ-O 3.26Å; R4-L1140 PolarHBondContact NH1-O 3.46Å; R4-L1140 PolarHBondContact NH2-O 2.94Å; R4-S1141 PolarHBondContact NH2-OG 2.98Å; R4-E1154 PolarHBondContact N-OE2 2.83Å |
| 5 | D | 73.8 | Confident | 77.9 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.6 | -33.7 | -173.7 | -60.3 | -11.6 | 0 | 0 | 0 | 111.4 | M1 P2 F3 N9 | M1-D5 HydrophobicContact CB-CB 4.34Å; P2-D5 HydrophobicContact CB-CB 4.41Å; P2-D5 VanDerWaalsContact CD-OD2 3.25Å; P2-D5 WeakPolarHBondContact CD-OD2 3.24Å; P2-D5 VanDerWaalsContact CG-OD2 3.23Å; P2-D5 WeakPolarHBondContact CG-OD2 3.4Å; P2-D5 PolarHBondContact O-N 2.95Å; F3-D5 VanDerWaalsContact C-N 3.3Å; F3-D5 PolarHBondContact O-N 3.28Å; D5-N9 VanDerWaalsContact O-CB 3.25Å; D5-N9 WeakPolarHBondContact O-CB 3.43Å; D5-N9 PolarHBondContact O-N 3.36Å |
| 6 | D | 78.6 | Confident | 78.3 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 31% | 0.31 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 170.6 | -165.8 | 34.3 | 0 | 0 | 0 | 111.1 | M1 P2 F3 N9 L10 H1201 | M1-D6 HydrophobicContact CB-CB 4.19Å; P2-D6 PolarHBondContact O-N 2.96Å; P2-D6 VanDerWaalsContact O-N 3.13Å; F3-D6 PolarHBondContact O-N 3.02Å; D6-N9 PolarHBondContact O-N 2.96Å; D6-L10 WeakPolarHBondContact O-CB 3.42Å; D6-L10 PolarHBondContact O-N 2.7Å; D6-H1201 IonicContact OD1-NE2 2.65Å |
| 7 | L | 80.8 | Confident | 78.8 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 174.6 | 178.8 | 62.8 | 0 | 0 | 0 | 111.8 | F3 R4 L10 C11 L1128 L1155 F1158 L1197 | F3-L7 HydrophobicContact CE1-CD2 4.4Å; F3-L7 WeakPolarHBondContact O-CB 3.3Å; F3-L7 PolarHBondContact O-N 3Å; R4-L7 PolarHBondContact O-N 3.44Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-C11 PolarHBondContact O-N 2.9Å; L7-C11 PolarHBondContact O-SG 3.39Å; L7-L1128 HydrophobicContact CD1-CD1 3.87Å; L7-L1155 HydrophobicContact CD1-CD1 4Å; L7-L1155 HydrophobicContact CD2-CD1 3.82Å; L7-F1158 HydrophobicContact CD2-CB 4.41Å; L7-F1158 HydrophobicContact CD2-CD1 4.1Å; L7-F1158 HydrophobicContact CD2-CG 4.33Å; L7-L1197 HydrophobicContact CD1-CD1 4.3Å; L7-L1197 HydrophobicContact CD1-CD2 4.3Å |
| 8 | L | 81.4 | Confident | 79.3 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 178 | -71.6 | 169.2 | 0 | 0 | 0 | 111.5 | R4 L10 C11 Y12 V1133 F1158 | R4-L8 HydrophobicContact CG-CD1 3.85Å; R4-L8 HydrophobicContact CG-CG 4.44Å; R4-L8 WeakPolarHBondContact O-CB 3.41Å; R4-L8 VanDerWaalsContact O-CG 3.24Å; R4-L8 WeakPolarHBondContact O-CG 3.17Å; R4-L8 PolarHBondContact O-N 3.17Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.38Å; L8-C11 WeakPolarHBondContact O-CB 3.31Å; L8-C11 PolarHBondContact O-N 2.89Å; L8-C11 VanDerWaalsContact O-N 3.14Å; L8-Y12 HydrophobicContact CB-CE2 4.43Å; L8-Y12 WeakPolarHBondContact O-CD2 3.29Å; L8-Y12 PolarHBondContact O-N 2.94Å; L8-V1133 HydrophobicContact CD2-CG1 3.62Å; L8-F1158 HydrophobicContact CD2-CE2 4.38Å |
| 9 | N | 82.5 | Confident | 79.6 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 174.4 | -165 | -58.7 | 0 | 0 | 0 | 110.9 | D5 D6 C11 Y12 R13 | D5-N9 VanDerWaalsContact O-CB 3.25Å; D5-N9 WeakPolarHBondContact O-CB 3.43Å; D5-N9 PolarHBondContact O-N 3.36Å; D6-N9 PolarHBondContact O-N 2.96Å; N9-C11 PolarHBondContact O-N 3.46Å; N9-Y12 PolarHBondContact O-N 3.27Å; N9-R13 WeakPolarHBondContact O-CB 3.1Å; N9-R13 WeakPolarHBondContact O-CG 3.44Å; N9-R13 PolarHBondContact O-N 3.17Å; N9-R13 WeakPolarHBondContact OD1-CG 3.35Å |
| 10 | L | 84.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 174.8 | -175.7 | 61.5 | 0 | 0 | 0 | 112.5 | D6 L7 L8 L14 L1128 L1197 M1200 | D6-L10 WeakPolarHBondContact O-CB 3.42Å; D6-L10 PolarHBondContact O-N 2.7Å; L7-L10 PolarHBondContact O-N 2.91Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.38Å; L10-L14 HydrophobicContact CD1-CD1 3.82Å; L10-L14 HydrophobicContact CD1-CG 3.92Å; L10-L14 HydrophobicContact CG-CD1 3.77Å; L10-L14 HydrophobicContact CG-CG 4.29Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 2.89Å; L10-L1128 HydrophobicContact CD2-CD1 4.34Å; L10-L1128 HydrophobicContact CG-CD1 4.5Å; L10-L1197 HydrophobicContact CD2-CD2 4.02Å; L10-M1200 HydrophobicContact CD2-CB 4.17Å; L10-M1200 HydrophobicContact CD2-CE 4.23Å |
| 11 | C | 84.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -56.5 | 172.9 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | L7 L8 N9 R13 L14 R15 V1133 | L7-C11 PolarHBondContact O-N 2.9Å; L7-C11 PolarHBondContact O-SG 3.39Å; L8-C11 WeakPolarHBondContact O-CB 3.31Å; L8-C11 PolarHBondContact O-N 2.89Å; L8-C11 VanDerWaalsContact O-N 3.14Å; N9-C11 PolarHBondContact O-N 3.46Å; C11-R13 PolarHBondContact O-N 3.37Å; C11-L14 PolarHBondContact O-N 3.28Å; C11-R15 WeakPolarHBondContact O-CB 3.36Å; C11-R15 PolarHBondContact O-N 3.02Å; C11-V1133 HydrophobicContact CB-CG2 3.75Å |
| 12 | Y | 84.6 | Confident | 82.6 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55 | -53.8 | 178.4 | -70.7 | -67.1 | 0 | 0 | 0 | 110.6 | L8 N9 L14 R15 D16 V1133 D1134 | L8-Y12 HydrophobicContact CB-CE2 4.43Å; L8-Y12 WeakPolarHBondContact O-CD2 3.29Å; L8-Y12 PolarHBondContact O-N 2.94Å; N9-Y12 PolarHBondContact O-N 3.27Å; Y12-L14 VanDerWaalsContact C-N 3.29Å; Y12-L14 PolarHBondContact O-N 3.41Å; Y12-R15 WeakPolarHBondContact O-CB 3.29Å; Y12-R15 PolarHBondContact O-N 2.85Å; Y12-D16 WeakPolarHBondContact O-CB 3.15Å; Y12-D16 PolarHBondContact O-N 2.9Å; Y12-V1133 HydrophobicContact CE1-CB 3.87Å; Y12-V1133 HydrophobicContact CE1-CG1 4.21Å; Y12-V1133 HydrophobicContact CE1-CG2 4.45Å; Y12-V1133 HydrophobicContact CE2-CG1 4.07Å; Y12-V1133 WeakPolarHBondContact OH-CG1 3.29Å; Y12-D1134 PolarHBondContact OH-OD1 3.17Å |
| 13 | R | 86 | Confident | 83.7 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -29 | -178.5 | -63.2 | -64.1 | -167 | 177.9 | 2.5 | 114 | N9 C11 E17 | N9-R13 WeakPolarHBondContact O-CB 3.1Å; N9-R13 WeakPolarHBondContact O-CG 3.44Å; N9-R13 PolarHBondContact O-N 3.17Å; N9-R13 WeakPolarHBondContact OD1-CG 3.35Å; C11-R13 PolarHBondContact O-N 3.37Å; R13-E17 WeakPolarHBondContact O-CB 3.49Å; R13-E17 PolarHBondContact O-N 3.15Å |
| 14 | L | 86.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.7 | -32.1 | 174.1 | -75.9 | 172.9 | 0 | 0 | 0 | 112.7 | L10 C11 Y12 K18 R1125 L1128 M1200 | L10-L14 HydrophobicContact CD1-CD1 3.82Å; L10-L14 HydrophobicContact CD1-CG 3.92Å; L10-L14 HydrophobicContact CG-CD1 3.77Å; L10-L14 HydrophobicContact CG-CG 4.29Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 2.89Å; C11-L14 PolarHBondContact O-N 3.28Å; Y12-L14 VanDerWaalsContact C-N 3.29Å; Y12-L14 PolarHBondContact O-N 3.41Å; L14-K18 WeakPolarHBondContact O-CB 3.34Å; L14-K18 PolarHBondContact O-N 2.75Å; L14-K18 VanDerWaalsContact O-N 3.14Å; L14-R1125 HydrophobicContact CD2-CG 4.27Å; L14-L1128 HydrophobicContact CD1-CB 3.87Å; L14-L1128 HydrophobicContact CD1-CD1 4.37Å; L14-M1200 HydrophobicContact CD1-CE 3.7Å |
| 15 | R | 86.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 22% | 0.219 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.1 | -47.2 | 171.3 | -172.4 | -172.5 | -178.1 | -177.6 | 8.6 | 110.2 | C11 Y12 K18 L19 D1132 | C11-R15 WeakPolarHBondContact O-CB 3.36Å; C11-R15 PolarHBondContact O-N 3.02Å; Y12-R15 WeakPolarHBondContact O-CB 3.29Å; Y12-R15 PolarHBondContact O-N 2.85Å; R15-K18 PolarHBondContact O-N 3.07Å; R15-L19 HydrophobicContact CG-CD1 3.94Å; R15-L19 HydrophobicContact CG-CG 4.44Å; R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 WeakPolarHBondContact O-CG 3.37Å; R15-L19 PolarHBondContact O-N 2.93Å; R15-D1132 VanDerWaalsContact CZ-CG 3.49Å; R15-D1132 IonicContact CZ-OD1 2.69Å; R15-D1132 IonicContact CZ-OD2 2.63Å; R15-D1132 IonicContact NH1-OD1 3.18Å; R15-D1132 PolarHBondContact NH1-OD1 3.25Å; R15-D1132 IonicContact NH1-OD2 3.47Å; R15-D1132 PolarHBondContact NH1-OD2 3.38Å; R15-D1132 IonicContact NH2-OD1 3.54Å; R15-D1132 IonicContact NH2-OD2 3.64Å; R15-D1132 PolarHBondContact NH2-OD2 2.97Å |
| 16 | D | 85.5 | Confident | 86.5 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 175.6 | -58.4 | -23.4 | 0 | 0 | 0 | 111.2 | Y12 K18 L19 L20 | Y12-D16 WeakPolarHBondContact O-CB 3.15Å; Y12-D16 PolarHBondContact O-N 2.9Å; D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.1Å; D16-L19 PolarHBondContact O-N 2.9Å; D16-L20 VanDerWaalsContact O-CB 3.24Å; D16-L20 WeakPolarHBondContact O-CB 3.33Å; D16-L20 PolarHBondContact O-N 2.91Å |
| 17 | E | 86.1 | Confident | 87.2 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.9 | -46 | 176.4 | -176.6 | -162.3 | 140.3 | 0 | 0 | 111.1 | R13 V21 R1125 R1204 R1207 | R13-E17 WeakPolarHBondContact O-CB 3.49Å; R13-E17 PolarHBondContact O-N 3.15Å; E17-V21 WeakPolarHBondContact O-CB 3.49Å; E17-V21 WeakPolarHBondContact O-CG2 3.37Å; E17-V21 PolarHBondContact O-N 3.02Å; E17-R1125 VanDerWaalsContact CD-NH1 3.26Å; E17-R1125 IonicContact OE1-CZ 2.89Å; E17-R1125 IonicContact OE1-NH1 2.75Å; E17-R1125 PolarHBondContact OE1-NH1 3.45Å; E17-R1125 IonicContact OE1-NH2 2.69Å; E17-R1125 PolarHBondContact OE1-NH2 3.42Å; E17-R1125 IonicContact OE2-NH1 3.23Å; E17-R1125 PolarHBondContact OE2-NH1 3.41Å; E17-R1125 VanDerWaalsContact OE2-NH1 3.09Å; E17-R1204 WeakPolarHBondContact OE2-CG 3.33Å; E17-R1207 WeakPolarHBondContact OE1-CD 3.12Å |
| 18 | K | 87 | Confident | 87.9 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 38% | 0.378 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.1 | -49.7 | 179.6 | -178.1 | -169.9 | 178.4 | -176.8 | 0 | 112.2 | L14 R15 D16 L20 V21 T22 S1129 | L14-K18 WeakPolarHBondContact O-CB 3.34Å; L14-K18 PolarHBondContact O-N 2.75Å; L14-K18 VanDerWaalsContact O-N 3.14Å; R15-K18 PolarHBondContact O-N 3.07Å; D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.1Å; K18-L20 VanDerWaalsContact C-N 3.33Å; K18-L20 PolarHBondContact O-N 3Å; K18-V21 PolarHBondContact O-N 3.32Å; K18-T22 PolarHBondContact O-N 2.81Å; K18-T22 PolarHBondContact O-OG1 2.74Å; K18-T22 VanDerWaalsContact O-OG1 3.09Å; K18-S1129 WeakPolarHBondContact CD-O 3.28Å; K18-S1129 PolarHBondContact NZ-O 3.09Å |
| 19 | L | 86.6 | Confident | 88.5 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | -178.3 | -73.1 | 173.1 | 0 | 0 | 0 | 111.5 | R15 D16 T22 S23 | R15-L19 HydrophobicContact CG-CD1 3.94Å; R15-L19 HydrophobicContact CG-CG 4.44Å; R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 WeakPolarHBondContact O-CG 3.37Å; R15-L19 PolarHBondContact O-N 2.93Å; D16-L19 PolarHBondContact O-N 2.9Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-T22 VanDerWaalsContact O-OG1 3.08Å; L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 3.19Å |
| 20 | L | 88.8 | Confident | 89.1 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -52.6 | 172.4 | -178.5 | 66.8 | 0 | 0 | 0 | 110.5 | D16 K18 T22 S23 E24 | D16-L20 VanDerWaalsContact O-CB 3.24Å; D16-L20 WeakPolarHBondContact O-CB 3.33Å; D16-L20 PolarHBondContact O-N 2.91Å; K18-L20 VanDerWaalsContact C-N 3.33Å; K18-L20 PolarHBondContact O-N 3Å; L20-T22 VanDerWaalsContact C-N 3.34Å; L20-T22 PolarHBondContact O-N 3.04Å; L20-S23 PolarHBondContact O-N 3.48Å; L20-E24 HydrophobicContact CD1-CG 3.78Å; L20-E24 HydrophobicContact CG-CG 4.09Å; L20-E24 VanDerWaalsContact O-CB 3.25Å; L20-E24 WeakPolarHBondContact O-CB 3.48Å; L20-E24 WeakPolarHBondContact O-CG 3.45Å; L20-E24 PolarHBondContact O-N 2.87Å |
| 21 | V | 89.9 | Confident | 89.6 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.17 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | -178.8 | 166.6 | 0 | 0 | 0 | 0 | 112.3 | E17 K18 L25 Y1210 L1214 | E17-V21 WeakPolarHBondContact O-CB 3.49Å; E17-V21 WeakPolarHBondContact O-CG2 3.37Å; E17-V21 PolarHBondContact O-N 3.02Å; K18-V21 PolarHBondContact O-N 3.32Å; V21-L25 HydrophobicContact CG1-CD1 3.86Å; V21-L25 VanDerWaalsContact O-CB 3.3Å; V21-L25 WeakPolarHBondContact O-CB 3.34Å; V21-L25 WeakPolarHBondContact O-CD1 3.25Å; V21-L25 VanDerWaalsContact O-CG 3.24Å; V21-L25 WeakPolarHBondContact O-CG 3.28Å; V21-L25 PolarHBondContact O-N 2.77Å; V21-Y1210 HydrophobicContact CG1-CD1 4.48Å; V21-Y1210 HydrophobicContact CG1-CE1 4.03Å; V21-L1214 HydrophobicContact CB-CD1 4.38Å; V21-L1214 HydrophobicContact CG1-CD1 4.11Å; V21-L1214 HydrophobicContact CG2-CD1 4.13Å |
| 22 | T | 89.7 | Confident | 90 | Very high | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 175.7 | 49.8 | 0 | 0 | 0 | 0 | 112 | K18 L19 L20 L25 E26 | K18-T22 PolarHBondContact O-N 2.81Å; K18-T22 PolarHBondContact O-OG1 2.74Å; K18-T22 VanDerWaalsContact O-OG1 3.09Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-T22 VanDerWaalsContact O-OG1 3.08Å; L20-T22 VanDerWaalsContact C-N 3.34Å; L20-T22 PolarHBondContact O-N 3.04Å; T22-L25 PolarHBondContact O-N 2.9Å; T22-E26 WeakPolarHBondContact O-CB 3.34Å; T22-E26 VanDerWaalsContact O-CG 3.31Å; T22-E26 WeakPolarHBondContact O-CG 3.46Å; T22-E26 PolarHBondContact O-N 3.01Å |
| 23 | S | 90.9 | Very high | 90.3 | Very high | 47 Ų | 47 | 59 Ų | 59 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | L19 L20 E26 Q27 | L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 3.19Å; L20-S23 PolarHBondContact O-N 3.48Å; S23-E26 PolarHBondContact O-N 3.23Å; S23-Q27 WeakPolarHBondContact O-CB 3.46Å; S23-Q27 WeakPolarHBondContact O-CG 3.32Å; S23-Q27 PolarHBondContact O-N 2.78Å |
| 24 | E | 91.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 174.1 | -69.9 | -66.2 | 158.9 | 0 | 0 | 111.3 | L20 Q27 I28 L1214 K1218 | L20-E24 HydrophobicContact CD1-CG 3.78Å; L20-E24 HydrophobicContact CG-CG 4.09Å; L20-E24 VanDerWaalsContact O-CB 3.25Å; L20-E24 WeakPolarHBondContact O-CB 3.48Å; L20-E24 WeakPolarHBondContact O-CG 3.45Å; L20-E24 PolarHBondContact O-N 2.87Å; E24-Q27 PolarHBondContact O-N 3.08Å; E24-I28 VanDerWaalsContact O-CB 3.25Å; E24-I28 WeakPolarHBondContact O-CB 3.26Å; E24-I28 WeakPolarHBondContact O-CD1 3.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.43Å; E24-I28 PolarHBondContact O-N 3.08Å; E24-L1214 HydrophobicContact CB-CB 4.3Å; E24-L1214 HydrophobicContact CB-CD1 4.23Å; E24-K1218 IonicContact OE1-NZ 3.16Å; E24-K1218 PolarHBondContact OE1-NZ 3.33Å; E24-K1218 WeakPolarHBondContact OE2-CD 3.15Å; E24-K1218 WeakPolarHBondContact OE2-CE 3.31Å; E24-K1218 IonicContact OE2-NZ 3.06Å; E24-K1218 PolarHBondContact OE2-NZ 3.3Å |
| 25 | L | 93.2 | Very high | 91 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 174.9 | -78.1 | 169 | 0 | 0 | 0 | 112.9 | V21 T22 I28 L29 L545 L1214 | V21-L25 HydrophobicContact CG1-CD1 3.86Å; V21-L25 VanDerWaalsContact O-CB 3.3Å; V21-L25 WeakPolarHBondContact O-CB 3.34Å; V21-L25 WeakPolarHBondContact O-CD1 3.25Å; V21-L25 VanDerWaalsContact O-CG 3.24Å; V21-L25 WeakPolarHBondContact O-CG 3.28Å; V21-L25 PolarHBondContact O-N 2.77Å; T22-L25 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 3.4Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 3.26Å; L25-L545 HydrophobicContact CD2-CD2 4.08Å; L25-L1214 HydrophobicContact CD2-CD2 3.65Å; L25-L1214 HydrophobicContact CG-CD1 4.24Å; L25-L1214 HydrophobicContact CG-CD2 4.14Å |
| 26 | E | 93.1 | Very high | 91.2 | Very high | 117 Ų | 117 | 59 Ų | 59 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.8 | -75.1 | 164 | -173.7 | 0 | 0 | 111.4 | T22 S23 L29 L30 | T22-E26 WeakPolarHBondContact O-CB 3.34Å; T22-E26 VanDerWaalsContact O-CG 3.31Å; T22-E26 WeakPolarHBondContact O-CG 3.46Å; T22-E26 PolarHBondContact O-N 3.01Å; S23-E26 PolarHBondContact O-N 3.23Å; E26-L29 WeakPolarHBondContact O-CB 3.48Å; E26-L29 PolarHBondContact O-N 3.15Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 3.22Å; E26-L30 VanDerWaalsContact O-N 3.08Å |
| 27 | Q | 93.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 176.2 | -70.9 | 177.4 | 5 | 0 | 0 | 112.5 | S23 E24 L30 L31 | S23-Q27 WeakPolarHBondContact O-CB 3.46Å; S23-Q27 WeakPolarHBondContact O-CG 3.32Å; S23-Q27 PolarHBondContact O-N 2.78Å; E24-Q27 PolarHBondContact O-N 3.08Å; Q27-L30 PolarHBondContact O-N 2.98Å; Q27-L31 VanDerWaalsContact O-CB 3.31Å; Q27-L31 WeakPolarHBondContact O-CB 3.26Å; Q27-L31 VanDerWaalsContact O-CG 3.22Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 2.86Å |
| 28 | I | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 173 | -75.2 | 165.2 | 0 | 0 | 0 | 111.1 | E24 L25 L31 N32 I543 L545 L1214 K1218 L1221 | E24-I28 VanDerWaalsContact O-CB 3.25Å; E24-I28 WeakPolarHBondContact O-CB 3.26Å; E24-I28 WeakPolarHBondContact O-CD1 3.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.43Å; E24-I28 PolarHBondContact O-N 3.08Å; L25-I28 PolarHBondContact O-N 3.4Å; I28-L31 PolarHBondContact O-N 3.37Å; I28-N32 PolarHBondContact O-N 3.32Å; I28-N32 PolarHBondContact O-ND2 2.98Å; I28-I543 WeakPolarHBondContact CG2-O 2.88Å; I28-L545 HydrophobicContact CG2-CD2 3.65Å; I28-L545 HydrophobicContact CG2-CG 4.25Å; I28-L1214 HydrophobicContact CD1-CB 3.91Å; I28-L1214 HydrophobicContact CD1-CD2 3.8Å; I28-L1214 HydrophobicContact CD1-CG 4.44Å; I28-L1214 WeakPolarHBondContact CD1-O 3.47Å; I28-K1218 HydrophobicContact CD1-CB 4.3Å; I28-K1218 HydrophobicContact CG1-CB 3.96Å; I28-L1221 HydrophobicContact CG2-CD1 3.95Å |
| 29 | L | 94 | Very high | 92.1 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 45% | 0.445 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 173.8 | -81 | 161.5 | 0 | 0 | 0 | 111.2 | L25 E26 N32 N33 L545 | L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 3.26Å; E26-L29 WeakPolarHBondContact O-CB 3.48Å; E26-L29 PolarHBondContact O-N 3.15Å; L29-N32 PolarHBondContact O-N 3.09Å; L29-N33 PolarHBondContact O-N 3.35Å; L29-L545 HydrophobicContact CD2-CD1 3.55Å; L29-L545 HydrophobicContact CD2-CD2 4.12Å; L29-L545 HydrophobicContact CG-CD1 4.31Å; L29-L545 HydrophobicContact CG-CD2 4Å |
| 30 | L | 95.8 | Very high | 92.4 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.9 | -67 | 172.2 | 0 | 0 | 0 | 111.6 | E26 Q27 N32 N33 D34 | E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 3.22Å; E26-L30 VanDerWaalsContact O-N 3.08Å; Q27-L30 PolarHBondContact O-N 2.98Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.08Å; L30-N33 WeakPolarHBondContact O-CB 3.34Å; L30-N33 PolarHBondContact O-N 2.81Å; L30-N33 VanDerWaalsContact O-N 3.07Å; L30-D34 PolarHBondContact O-N 3.41Å |
| 31 | L | 93.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -27.9 | 179.9 | -74.5 | 169.2 | 0 | 0 | 0 | 114.3 | Q27 I28 V35 K1218 L1221 L1222 | Q27-L31 VanDerWaalsContact O-CB 3.31Å; Q27-L31 WeakPolarHBondContact O-CB 3.26Å; Q27-L31 VanDerWaalsContact O-CG 3.22Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 2.86Å; I28-L31 PolarHBondContact O-N 3.37Å; L31-V35 WeakPolarHBondContact O-CB 3.06Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 2.94Å; L31-K1218 HydrophobicContact CD1-CG 3.94Å; L31-L1221 HydrophobicContact CB-CB 3.99Å; L31-L1221 HydrophobicContact CB-CD1 4.09Å; L31-L1221 HydrophobicContact CD1-CB 4.47Å; L31-L1222 HydrophobicContact CD1-CD2 4.02Å; L31-L1222 HydrophobicContact CD1-CG 3.95Å; L31-L1222 HydrophobicContact CD2-CD2 3.7Å; L31-L1222 HydrophobicContact CD2-CG 4.35Å |
| 32 | N | 92.3 | Very high | 93 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 169.3 | -81.2 | -87.1 | 0 | 0 | 0 | 110.4 | I28 L29 L30 V35 E36 P542 I543 L1221 | I28-N32 PolarHBondContact O-N 3.32Å; I28-N32 PolarHBondContact O-ND2 2.98Å; L29-N32 PolarHBondContact O-N 3.09Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.08Å; N32-V35 PolarHBondContact O-N 3.28Å; N32-E36 PolarHBondContact O-N 3.26Å; N32-P542 WeakPolarHBondContact OD1-CB 3.16Å; N32-I543 PolarHBondContact ND2-O 3.12Å; N32-I543 PolarHBondContact OD1-N 3.49Å; N32-L1221 WeakPolarHBondContact ND2-CD1 3.47Å |
| 33 | N | 92.3 | Very high | 93.2 | Very high | 104 Ų | 104 | 48.9 Ų | 48.9 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 176.9 | -62 | -20 | 0 | 0 | 0 | 111.6 | L29 L30 V35 E36 E37 | L29-N33 PolarHBondContact O-N 3.35Å; L30-N33 WeakPolarHBondContact O-CB 3.34Å; L30-N33 PolarHBondContact O-N 2.81Å; L30-N33 VanDerWaalsContact O-N 3.07Å; N33-V35 PolarHBondContact O-N 2.94Å; N33-E36 PolarHBondContact O-N 3.47Å; N33-E37 WeakPolarHBondContact O-CB 3.36Å; N33-E37 PolarHBondContact O-N 2.91Å |
| 34 | D | 94.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.3 | -41.2 | 174.1 | -75 | 7.2 | 0 | 0 | 0 | 112.3 | L30 G38 R1225 | L30-D34 PolarHBondContact O-N 3.41Å; D34-G38 PolarHBondContact O-N 3.12Å; D34-R1225 HydrophobicContact CB-CG 4.29Å; D34-R1225 WeakPolarHBondContact OD2-CD 3.46Å; D34-R1225 IonicContact OD2-CZ 3.64Å; D34-R1225 IonicContact OD2-NE 3.2Å; D34-R1225 IonicContact OD2-NH1 3.95Å; D34-R1225 PolarHBondContact OD2-NH1 3.15Å |
| 35 | V | 91.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.9 | -42.2 | -180 | 165.2 | 0 | 0 | 0 | 0 | 110.6 | L31 N32 N33 G38 T39 L408 L1221 Q1224 R1225 L1228 | L31-V35 WeakPolarHBondContact O-CB 3.06Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 2.94Å; N32-V35 PolarHBondContact O-N 3.28Å; N33-V35 PolarHBondContact O-N 2.94Å; V35-G38 PolarHBondContact O-N 2.9Å; V35-T39 WeakPolarHBondContact O-CG2 3.49Å; V35-T39 PolarHBondContact O-N 2.85Å; V35-L408 HydrophobicContact CG1-CD1 4.07Å; V35-L1221 HydrophobicContact CG2-CD2 4.13Å; V35-Q1224 HydrophobicContact CG2-CB 4.13Å; V35-R1225 HydrophobicContact CG2-CB 4.14Å; V35-L1228 HydrophobicContact CB-CD1 4.2Å; V35-L1228 HydrophobicContact CG1-CD1 3.92Å; V35-L1228 HydrophobicContact CG2-CD1 4.32Å; V35-L1228 VanDerWaalsContact O-CD1 3.24Å; V35-L1228 WeakPolarHBondContact O-CD1 3.4Å |
| 36 | E | 90.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 44% | 0.439 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -47.7 | 177.9 | -163.2 | 159.5 | 151.9 | 0 | 0 | 111.3 | N32 N33 G38 T39 V40 | N32-E36 PolarHBondContact O-N 3.26Å; N33-E36 PolarHBondContact O-N 3.47Å; E36-G38 VanDerWaalsContact C-N 3.31Å; E36-G38 PolarHBondContact O-N 3.29Å; E36-T39 PolarHBondContact O-N 2.9Å; E36-T39 VanDerWaalsContact O-N 3.12Å; E36-T39 PolarHBondContact O-OG1 2.91Å; E36-V40 WeakPolarHBondContact O-CG2 3.2Å; E36-V40 PolarHBondContact O-N 3.43Å |
| 37 | E | 92.4 | Very high | 93.7 | Very high | 146 Ų | 146 | 42.4 Ų | 42.4 | 68% | 0.682 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.8 | -42.1 | 172.8 | -179.3 | 165.4 | -156.2 | 0 | 0 | 111.8 | N33 T39 V40 G41 | N33-E37 WeakPolarHBondContact O-CB 3.36Å; N33-E37 PolarHBondContact O-N 2.91Å; E37-T39 PolarHBondContact O-N 3.44Å; E37-V40 PolarHBondContact O-N 2.71Å; E37-G41 PolarHBondContact O-N 3.42Å |
| 38 | G | 93.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 19% | 0.186 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D34 V35 E36 L42 | D34-G38 PolarHBondContact O-N 3.12Å; V35-G38 PolarHBondContact O-N 2.9Å; E36-G38 VanDerWaalsContact C-N 3.31Å; E36-G38 PolarHBondContact O-N 3.29Å; G38-L42 WeakPolarHBondContact O-CB 3.43Å; G38-L42 PolarHBondContact O-N 2.95Å |
| 39 | T | 92.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 173.8 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | V35 E36 E37 L42 V43 L408 H411 L1228 | V35-T39 WeakPolarHBondContact O-CG2 3.49Å; V35-T39 PolarHBondContact O-N 2.85Å; E36-T39 PolarHBondContact O-N 2.9Å; E36-T39 VanDerWaalsContact O-N 3.12Å; E36-T39 PolarHBondContact O-OG1 2.91Å; E37-T39 PolarHBondContact O-N 3.44Å; T39-L42 PolarHBondContact O-N 3.45Å; T39-V43 WeakPolarHBondContact O-CG2 3.33Å; T39-V43 PolarHBondContact O-N 3.18Å; T39-L408 HydrophobicContact CG2-CD1 3.81Å; T39-L408 HydrophobicContact CG2-CD2 4.29Å; T39-L408 HydrophobicContact CG2-CG 4.28Å; T39-H411 PolarHBondContact OG1-CE1 3.42Å; T39-L1228 HydrophobicContact CG2-CD1 4.09Å; T39-L1228 HydrophobicContact CG2-CD2 3.9Å |
| 40 | V | 93.3 | Very high | 93.5 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | E36 E37 V43 K44 L412 L533 | E36-V40 WeakPolarHBondContact O-CG2 3.2Å; E36-V40 PolarHBondContact O-N 3.43Å; E37-V40 PolarHBondContact O-N 2.71Å; V40-V43 PolarHBondContact O-N 3.39Å; V40-K44 HydrophobicContact CG1-CD 4.05Å; V40-K44 VanDerWaalsContact CG1-CE 3.43Å; V40-K44 VanDerWaalsContact O-CG 3.25Å; V40-K44 WeakPolarHBondContact O-CG 2.98Å; V40-K44 PolarHBondContact O-N 2.74Å; V40-L412 HydrophobicContact CG2-CD1 3.65Å; V40-L533 HydrophobicContact CG1-CD1 4.43Å |
| 41 | G | 95 | Very high | 93.2 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E37 K44 A45 | E37-G41 PolarHBondContact O-N 3.42Å; G41-K44 PolarHBondContact O-N 2.86Å; G41-A45 WeakPolarHBondContact O-CB 3.46Å; G41-A45 PolarHBondContact O-N 3.13Å |
| 42 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.3 | -50.3 | 174.6 | 179 | 62.6 | 0 | 0 | 0 | 111.8 | G38 T39 K44 A45 C46 F145 L1228 M1231 V1235 | G38-L42 WeakPolarHBondContact O-CB 3.43Å; G38-L42 PolarHBondContact O-N 2.95Å; T39-L42 PolarHBondContact O-N 3.45Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 2.99Å; L42-A45 PolarHBondContact O-N 2.91Å; L42-C46 PolarHBondContact O-N 2.86Å; L42-C46 PolarHBondContact O-SG 2.75Å; L42-F145 HydrophobicContact CD2-CE1 4.32Å; L42-F145 HydrophobicContact CD2-CE2 4.12Å; L42-F145 HydrophobicContact CD2-CZ 3.74Å; L42-L1228 HydrophobicContact CB-CD2 4.43Å; L42-L1228 HydrophobicContact CD2-CD2 3.98Å; L42-M1231 HydrophobicContact CD1-CB 4.11Å; L42-M1231 HydrophobicContact CD2-CB 4.11Å; L42-M1231 HydrophobicContact CD2-CE 3.86Å; L42-M1231 HydrophobicContact CD2-SD 4.39Å; L42-V1235 HydrophobicContact CD1-CG2 3.96Å |
| 43 | V | 94.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 179.9 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | T39 V40 C46 W47 F145 R410 A414 | T39-V43 WeakPolarHBondContact O-CG2 3.33Å; T39-V43 PolarHBondContact O-N 3.18Å; V40-V43 PolarHBondContact O-N 3.39Å; V43-C46 PolarHBondContact O-N 3.36Å; V43-W47 PolarHBondContact O-N 3.09Å; V43-F145 HydrophobicContact CG2-CE2 4.3Å; V43-F145 HydrophobicContact CG2-CZ 4.38Å; V43-R410 HydrophobicContact CG2-CG 4.44Å; V43-A414 HydrophobicContact CG1-CB 3.81Å |
| 44 | K | 94.8 | Very high | 92.3 | Very high | 75 Ų | 75 | 29.3 Ų | 29.3 | 33% | 0.326 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 173.2 | -70.6 | 168.9 | 178 | 171.3 | 0 | 111.7 | V40 G41 L42 C46 W47 I48 F83 | V40-K44 HydrophobicContact CG1-CD 4.05Å; V40-K44 VanDerWaalsContact CG1-CE 3.43Å; V40-K44 VanDerWaalsContact O-CG 3.25Å; V40-K44 WeakPolarHBondContact O-CG 2.98Å; V40-K44 PolarHBondContact O-N 2.74Å; G41-K44 PolarHBondContact O-N 2.86Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 2.99Å; K44-C46 VanDerWaalsContact C-N 3.34Å; K44-C46 PolarHBondContact O-N 2.82Å; K44-W47 PolarHBondContact O-N 3.45Å; K44-I48 WeakPolarHBondContact O-CG1 3.38Å; K44-I48 PolarHBondContact O-N 3.16Å; K44-F83 HydrophobicContact CB-CD1 4.48Å; K44-F83 HydrophobicContact CB-CD2 4.43Å; K44-F83 HydrophobicContact CB-CE1 4.09Å; K44-F83 HydrophobicContact CB-CE2 4.05Å; K44-F83 HydrophobicContact CB-CZ 3.85Å; K44-F83 HydrophobicContact CD-CD2 4.2Å; K44-F83 HydrophobicContact CD-CG 4.23Å; K44-F83 HydrophobicContact CG-CB 4.48Å; K44-F83 HydrophobicContact CG-CD1 3.76Å; K44-F83 HydrophobicContact CG-CD2 3.93Å; K44-F83 HydrophobicContact CG-CE1 3.86Å; K44-F83 HydrophobicContact CG-CE2 4.04Å; K44-F83 HydrophobicContact CG-CG 3.79Å; K44-F83 HydrophobicContact CG-CZ 4Å |
| 45 | A | 94.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G41 L42 I48 Q49 L1232 V1235 | G41-A45 WeakPolarHBondContact O-CB 3.46Å; G41-A45 PolarHBondContact O-N 3.13Å; L42-A45 PolarHBondContact O-N 2.91Å; A45-I48 PolarHBondContact O-N 2.93Å; A45-Q49 VanDerWaalsContact O-CB 3.22Å; A45-Q49 WeakPolarHBondContact O-CB 3.22Å; A45-Q49 PolarHBondContact O-N 3.42Å; A45-L1232 HydrophobicContact CB-CD1 3.8Å; A45-V1235 HydrophobicContact CB-CG1 3.85Å |
| 46 | C | 94.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.9 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | L42 V43 K44 S50 C142 | L42-C46 PolarHBondContact O-N 2.86Å; L42-C46 PolarHBondContact O-SG 2.75Å; V43-C46 PolarHBondContact O-N 3.36Å; K44-C46 VanDerWaalsContact C-N 3.34Å; K44-C46 PolarHBondContact O-N 2.82Å; C46-S50 WeakPolarHBondContact O-CB 3.44Å; C46-S50 PolarHBondContact O-N 3.47Å; C46-C142 HydrophobicContact CB-CB 4.4Å |
| 47 | W | 94.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.8 | -176.6 | 92.3 | 0 | 0 | 0 | 111.5 | V43 K44 H51 Y78 A81 F83 A414 T416 E419 P529 V531 | V43-W47 PolarHBondContact O-N 3.09Å; K44-W47 PolarHBondContact O-N 3.45Å; W47-H51 AromaticContact CD1-CE1 3.95Å; W47-H51 AromaticContact CD2-ND1 3.72Å; W47-H51 AromaticContact CE2-CE1 3.3Å; W47-H51 AromaticContact CE2-ND1 3.44Å; W47-H51 AromaticContact CZ2-CE1 3.46Å; W47-H51 VanDerWaalsContact CZ2-CE1 3.46Å; W47-H51 WeakPolarHBondContact CZ2-CE1 3.48Å; W47-H51 AromaticContact CZ2-ND1 3.64Å; W47-H51 AromaticContact CZ2-NE2 3.94Å; W47-H51 AromaticContact NE1-CE1 3.29Å; W47-H51 PolarHBondContact NE1-CE1 3.02Å; W47-H51 VanDerWaalsContact NE1-CE1 3.29Å; W47-H51 AromaticContact NE1-ND1 3.76Å; W47-H51 PolarHBondContact O-N 3.16Å; W47-H51 PolarHBondContact O-ND1 2.81Å; W47-Y78 AromaticContact CH2-CD1 3.85Å; W47-Y78 HydrophobicContact CH2-CD1 3.85Å; W47-Y78 HydrophobicContact CH2-CE1 4.28Å; W47-Y78 HydrophobicContact CZ3-CD1 4.12Å; W47-A81 HydrophobicContact CE3-CB 4.45Å; W47-A81 HydrophobicContact CZ3-CB 3.8Å; W47-F83 HydrophobicContact CE3-CZ 4.22Å; W47-A414 HydrophobicContact CB-CB 4.01Å; W47-A414 HydrophobicContact CG-CB 4.18Å; W47-T416 HydrophobicContact CH2-CG2 4.21Å; W47-T416 HydrophobicContact CZ2-CG2 3.62Å; W47-E419 PolarHBondContact NE1-OE1 3.18Å; W47-E419 PolarHBondContact NE1-OE2 3.1Å; W47-P529 HydrophobicContact CH2-CB 4.4Å; W47-P529 HydrophobicContact CH2-CG 4.26Å; W47-V531 HydrophobicContact CD2-CG1 4.13Å; W47-V531 HydrophobicContact CD2-CG2 4.03Å; W47-V531 HydrophobicContact CE3-CG2 3.87Å; W47-V531 HydrophobicContact CG-CG1 4.32Å; W47-V531 HydrophobicContact CH2-CG2 3.64Å; W47-V531 HydrophobicContact CZ2-CG2 3.78Å; W47-V531 HydrophobicContact CZ3-CG2 3.68Å |
| 48 | I | 94.3 | Very high | 90 | Very high | 19 Ų | 19 | 20.1 Ų | 20.1 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.9 | -47.2 | 177.4 | -60 | 164.1 | 0 | 0 | 0 | 110.7 | K44 A45 S50 H51 Q52 F83 Q1239 | K44-I48 WeakPolarHBondContact O-CG1 3.38Å; K44-I48 PolarHBondContact O-N 3.16Å; A45-I48 PolarHBondContact O-N 2.93Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-S50 PolarHBondContact O-N 2.86Å; I48-H51 PolarHBondContact O-N 2.95Å; I48-Q52 HydrophobicContact CG2-CG 4.17Å; I48-Q52 WeakPolarHBondContact O-CG 3.33Å; I48-Q52 PolarHBondContact O-N 3Å; I48-F83 HydrophobicContact CD1-CE2 4.01Å; I48-F83 HydrophobicContact CD1-CZ 4.04Å; I48-F83 HydrophobicContact CG1-CE2 4.46Å; I48-F83 HydrophobicContact CG1-CZ 4.05Å; I48-Q1239 VanDerWaalsContact CG2-NE2 3.3Å |
| 49 | Q | 92.8 | Very high | 89 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 5% | 0.051 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | -179.8 | 179.6 | -81.1 | -27.1 | 0 | 0 | 111.6 | A45 H51 Q52 H53 V1235 E1238 Q1239 | A45-Q49 VanDerWaalsContact O-CB 3.22Å; A45-Q49 WeakPolarHBondContact O-CB 3.22Å; A45-Q49 PolarHBondContact O-N 3.42Å; Q49-H51 VanDerWaalsContact C-N 3.32Å; Q49-H51 PolarHBondContact O-N 3.17Å; Q49-Q52 PolarHBondContact O-N 3.03Å; Q49-H53 VanDerWaalsContact O-CB 3.28Å; Q49-H53 WeakPolarHBondContact O-CB 3.32Å; Q49-H53 PolarHBondContact O-N 2.96Å; Q49-V1235 HydrophobicContact CB-CG1 3.84Å; Q49-V1235 HydrophobicContact CG-CG1 4.16Å; Q49-E1238 HydrophobicContact CG-CB 4.22Å; Q49-Q1239 HydrophobicContact CB-CB 4.18Å; Q49-Q1239 HydrophobicContact CB-CG 4.46Å; Q49-Q1239 HydrophobicContact CG-CB 4.23Å |
| 50 | S | 91.2 | Very high | 88 | Confident | 19 Ų | 19 | 22.9 Ų | 22.9 | 13% | 0.133 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 177.8 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | C46 I48 E54 | C46-S50 WeakPolarHBondContact O-CB 3.44Å; C46-S50 PolarHBondContact O-N 3.47Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-S50 PolarHBondContact O-N 2.86Å; S50-E54 PolarHBondContact O-N 3.49Å |
| 51 | H | 90.4 | Very high | 86.8 | Confident | 24 Ų | 24 | 27.7 Ų | 27.7 | 11% | 0.111 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.9 | -39 | 178.8 | -78.2 | 89.3 | 0 | 0 | 0 | 112.8 | W47 I48 Q49 E54 T55 Y78 E419 | W47-H51 AromaticContact CD1-CE1 3.95Å; W47-H51 AromaticContact CD2-ND1 3.72Å; W47-H51 AromaticContact CE2-CE1 3.3Å; W47-H51 AromaticContact CE2-ND1 3.44Å; W47-H51 AromaticContact CZ2-CE1 3.46Å; W47-H51 VanDerWaalsContact CZ2-CE1 3.46Å; W47-H51 WeakPolarHBondContact CZ2-CE1 3.48Å; W47-H51 AromaticContact CZ2-ND1 3.64Å; W47-H51 AromaticContact CZ2-NE2 3.94Å; W47-H51 AromaticContact NE1-CE1 3.29Å; W47-H51 PolarHBondContact NE1-CE1 3.02Å; W47-H51 VanDerWaalsContact NE1-CE1 3.29Å; W47-H51 AromaticContact NE1-ND1 3.76Å; W47-H51 PolarHBondContact O-N 3.16Å; W47-H51 PolarHBondContact O-ND1 2.81Å; I48-H51 PolarHBondContact O-N 2.95Å; Q49-H51 VanDerWaalsContact C-N 3.32Å; Q49-H51 PolarHBondContact O-N 3.17Å; H51-E54 WeakPolarHBondContact O-CB 2.63Å; H51-E54 PolarHBondContact O-N 3.08Å; H51-T55 PolarHBondContact O-N 3.1Å; H51-T55 VanDerWaalsContact O-N 3.14Å; H51-Y78 HydrophobicContact CB-CD1 3.72Å; H51-Y78 HydrophobicContact CB-CD2 3.85Å; H51-Y78 HydrophobicContact CB-CE1 3.79Å; H51-Y78 HydrophobicContact CB-CE2 3.92Å; H51-Y78 HydrophobicContact CB-CG 3.77Å; H51-Y78 AromaticContact CD2-CE1 3.68Å; H51-Y78 AromaticContact CD2-CZ 3.88Å; H51-Y78 AromaticContact CG-CE1 3.88Å; H51-E419 IonicContact CE1-OE1 3.81Å; H51-E419 PolarHBondContact CE1-OE1 3.38Å; H51-E419 IonicContact NE2-OE1 3.68Å |
| 52 | Q | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -35.2 | 176 | -68.9 | -178.5 | -29.1 | 0 | 0 | 112.1 | I48 Q49 E54 T55 L56 L75 Y78 | I48-Q52 HydrophobicContact CG2-CG 4.17Å; I48-Q52 WeakPolarHBondContact O-CG 3.33Å; I48-Q52 PolarHBondContact O-N 3Å; Q49-Q52 PolarHBondContact O-N 3.03Å; Q52-E54 VanDerWaalsContact C-N 3.35Å; Q52-T55 PolarHBondContact O-N 3.42Å; Q52-L56 PolarHBondContact O-N 3.34Å; Q52-L75 HydrophobicContact CB-CD2 3.92Å; Q52-L75 HydrophobicContact CG-CD2 3.86Å; Q52-L75 PolarHBondContact NE2-O 3.19Å; Q52-Y78 HydrophobicContact CG-CD2 4.3Å |
| 53 | H | 85.7 | Confident | 83 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 12% | 0.12 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -30.4 | 171.5 | -172.8 | -83 | 0 | 0 | 0 | 112.4 | Q49 L56 S57 E192 A329 | Q49-H53 VanDerWaalsContact O-CB 3.28Å; Q49-H53 WeakPolarHBondContact O-CB 3.32Å; Q49-H53 PolarHBondContact O-N 2.96Å; H53-L56 PolarHBondContact O-N 3.18Å; H53-S57 PolarHBondContact CE1-OG 3.19Å; H53-S57 PolarHBondContact ND1-OG 3.4Å; H53-S57 WeakPolarHBondContact O-CB 3.42Å; H53-S57 PolarHBondContact O-N 3.5Å; H53-S57 PolarHBondContact O-OG 3.5Å; H53-E192 VanDerWaalsContact CE1-CB 3.48Å; H53-E192 WeakPolarHBondContact CE1-CB 3.47Å; H53-E192 WeakPolarHBondContact CE1-CG 3.26Å; H53-E192 IonicContact CE1-OE1 3.43Å; H53-E192 IonicContact CE1-OE2 2.69Å; H53-E192 PolarHBondContact CE1-OE2 3.3Å; H53-A329 PolarHBondContact NE2-O 3.49Å |
| 54 | E | 83.6 | Confident | 80.9 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 168.5 | 167.9 | 153.8 | -161.4 | 0 | 0 | 112.6 | S50 H51 Q52 L56 S57 R58 R133 | S50-E54 PolarHBondContact O-N 3.49Å; H51-E54 WeakPolarHBondContact O-CB 2.63Å; H51-E54 PolarHBondContact O-N 3.08Å; Q52-E54 VanDerWaalsContact C-N 3.35Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.93Å; E54-S57 PolarHBondContact O-N 2.84Å; E54-R58 HydrophobicContact CG-CG 4.19Å; E54-R58 WeakPolarHBondContact O-CB 3.39Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.43Å; E54-R58 PolarHBondContact O-N 3.24Å; E54-R58 IonicContact OE1-CZ 2.7Å; E54-R58 IonicContact OE1-NE 2.92Å; E54-R58 PolarHBondContact OE1-NE 3.19Å; E54-R58 IonicContact OE1-NH2 2.67Å; E54-R58 PolarHBondContact OE1-NH2 3.34Å; E54-R133 VanDerWaalsContact CD-CZ 3.42Å; E54-R133 VanDerWaalsContact CG-NH1 3.34Å; E54-R133 WeakPolarHBondContact OE1-CD 3.37Å; E54-R133 IonicContact OE1-CZ 3.58Å; E54-R133 VanDerWaalsContact OE1-CZ 3.22Å; E54-R133 IonicContact OE1-NE 2.7Å; E54-R133 PolarHBondContact OE1-NE 3Å; E54-R133 IonicContact OE1-NH1 2.78Å; E54-R133 PolarHBondContact OE1-NH1 2.81Å; E54-R133 IonicContact OE1-NH2 2.98Å; E54-R133 VanDerWaalsContact OE2-CD 3.26Å; E54-R133 WeakPolarHBondContact OE2-CD 3.38Å; E54-R133 IonicContact OE2-CZ 3.92Å; E54-R133 IonicContact OE2-NE 2.78Å; E54-R133 IonicContact OE2-NH1 2.76Å; E54-R133 PolarHBondContact OE2-NH1 2.7Å |
| 55 | T | 83.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | H51 Q52 L59 C71 L75 V1246 | H51-T55 PolarHBondContact O-N 3.1Å; H51-T55 VanDerWaalsContact O-N 3.14Å; Q52-T55 PolarHBondContact O-N 3.42Å; T55-L59 HydrophobicContact CG2-CD1 4.18Å; T55-L59 WeakPolarHBondContact O-CB 3.26Å; T55-L59 WeakPolarHBondContact O-CG 3.48Å; T55-L59 PolarHBondContact O-N 3.36Å; T55-L59 VanDerWaalsContact O-N 3.11Å; T55-C71 HydrophobicContact CG2-CB 4.39Å; T55-L75 HydrophobicContact CG2-CD2 4.24Å; T55-V1246 HydrophobicContact CG2-CG1 4.48Å; T55-V1246 HydrophobicContact CG2-CG2 4.47Å |
| 56 | L | 81.9 | Confident | 76.1 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 172.8 | 178.9 | 61.8 | 0 | 0 | 0 | 112.4 | Q52 H53 E54 R58 L59 V60 A1242 V1246 L1249 | Q52-L56 PolarHBondContact O-N 3.34Å; H53-L56 PolarHBondContact O-N 3.18Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.93Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.36Å; L56-L59 WeakPolarHBondContact O-CB 3.07Å; L56-L59 PolarHBondContact O-N 2.89Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L56-V60 HydrophobicContact CD1-CG2 3.99Å; L56-V60 HydrophobicContact CG-CG2 4.38Å; L56-V60 WeakPolarHBondContact O-CG2 3.36Å; L56-V60 PolarHBondContact O-N 3.28Å; L56-A1242 HydrophobicContact CD2-CB 4.43Å; L56-V1246 HydrophobicContact CB-CG2 3.7Å; L56-V1246 HydrophobicContact CD1-CG2 3.85Å; L56-V1246 HydrophobicContact CG-CG2 4.37Å; L56-L1249 HydrophobicContact CD1-CD1 3.91Å |
| 57 | S | 78.4 | Confident | 74.2 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -36.8 | -176.8 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | H53 E54 Q61 | H53-S57 PolarHBondContact CE1-OG 3.19Å; H53-S57 PolarHBondContact ND1-OG 3.4Å; H53-S57 WeakPolarHBondContact O-CB 3.42Å; H53-S57 PolarHBondContact O-N 3.5Å; H53-S57 PolarHBondContact O-OG 3.5Å; E54-S57 PolarHBondContact O-N 2.84Å; S57-Q61 VanDerWaalsContact O-CG 3.31Å; S57-Q61 WeakPolarHBondContact O-CG 3.29Å; S57-Q61 PolarHBondContact O-N 2.91Å; S57-Q61 PolarHBondContact O-NE2 2.65Å |
| 58 | R | 76.4 | Confident | 72.7 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 171.7 | -71.1 | 170.8 | 177.6 | -165.1 | 2.9 | 110.7 | E54 L56 Q61 L62 | E54-R58 HydrophobicContact CG-CG 4.19Å; E54-R58 WeakPolarHBondContact O-CB 3.39Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.43Å; E54-R58 PolarHBondContact O-N 3.24Å; E54-R58 IonicContact OE1-CZ 2.7Å; E54-R58 IonicContact OE1-NE 2.92Å; E54-R58 PolarHBondContact OE1-NE 3.19Å; E54-R58 IonicContact OE1-NH2 2.67Å; E54-R58 PolarHBondContact OE1-NH2 3.34Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.36Å; R58-Q61 PolarHBondContact O-N 3.45Å; R58-L62 WeakPolarHBondContact O-CD1 3.28Å; R58-L62 VanDerWaalsContact O-CG 3.27Å; R58-L62 WeakPolarHBondContact O-CG 3.18Å; R58-L62 PolarHBondContact O-N 3.11Å |
| 59 | L | 73.2 | Confident | 71.4 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | -179.3 | -80.8 | 169.6 | 0 | 0 | 0 | 113.4 | T55 L56 Q61 L62 L68 C71 V1246 | T55-L59 HydrophobicContact CG2-CD1 4.18Å; T55-L59 WeakPolarHBondContact O-CB 3.26Å; T55-L59 WeakPolarHBondContact O-CG 3.48Å; T55-L59 PolarHBondContact O-N 3.36Å; T55-L59 VanDerWaalsContact O-N 3.11Å; L56-L59 WeakPolarHBondContact O-CB 3.07Å; L56-L59 PolarHBondContact O-N 2.89Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L59-Q61 PolarHBondContact O-N 2.66Å; L59-L62 PolarHBondContact O-N 2.63Å; L59-L62 VanDerWaalsContact O-N 3.1Å; L59-L68 HydrophobicContact CD2-CD2 3.39Å; L59-L68 HydrophobicContact CD2-CG 3.63Å; L59-C71 HydrophobicContact CD1-CB 4.12Å; L59-V1246 HydrophobicContact CD1-CB 4.28Å; L59-V1246 HydrophobicContact CD1-CG1 3.61Å; L59-V1246 HydrophobicContact CD1-CG2 3.96Å |
| 60 | V | 70.9 | Confident | 70.5 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -28.1 | 178.6 | 173 | 0 | 0 | 0 | 0 | 112.1 | L56 T326 L1249 | L56-V60 HydrophobicContact CD1-CG2 3.99Å; L56-V60 HydrophobicContact CG-CG2 4.38Å; L56-V60 WeakPolarHBondContact O-CG2 3.36Å; L56-V60 PolarHBondContact O-N 3.28Å; V60-T326 HydrophobicContact CG1-CG2 4.16Å; V60-L1249 HydrophobicContact CG2-CD1 4.14Å |
| 61 | Q | 68.3 | Low | 70 | Confident | 130 Ų | 130 | 57.7 Ų | 57.7 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -86.8 | -15.9 | 177.6 | -66.1 | 174.5 | 35.2 | 0 | 0 | 113.7 | S57 R58 L59 H63 | S57-Q61 VanDerWaalsContact O-CG 3.31Å; S57-Q61 WeakPolarHBondContact O-CG 3.29Å; S57-Q61 PolarHBondContact O-N 2.91Å; S57-Q61 PolarHBondContact O-NE2 2.65Å; R58-Q61 PolarHBondContact O-N 3.45Å; L59-Q61 PolarHBondContact O-N 2.66Å; Q61-H63 PolarHBondContact O-N 2.62Å |
| 62 | L | 60.9 | Low | 69.7 | Low | 73 Ų | 73 | 56.6 Ų | 56.6 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | trans | -92.5 | 94.2 | -177.3 | -76.8 | 166.4 | 0 | 0 | 0 | 111.2 | R58 L59 V64 | R58-L62 WeakPolarHBondContact O-CD1 3.28Å; R58-L62 VanDerWaalsContact O-CG 3.27Å; R58-L62 WeakPolarHBondContact O-CG 3.18Å; R58-L62 PolarHBondContact O-N 3.11Å; L59-L62 PolarHBondContact O-N 2.63Å; L59-L62 VanDerWaalsContact O-N 3.1Å; L62-V64 PolarHBondContact O-N 2.97Å | ||
| 63 | H | 49.5 | Very low | 69.6 | Low | 172 Ų | 172 | 58.2 Ų | 58.2 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | trans | -66.2 | 94.5 | 169 | -79.3 | -54 | 0 | 0 | 0 | 111.8 | Q61 D65 | Q61-H63 PolarHBondContact O-N 2.62Å; H63-D65 VanDerWaalsContact C-N 3.27Å; H63-D65 PolarHBondContact O-N 3.22Å | ||
| 64 | V | 49.2 | Very low | 69.6 | Low | 77 Ų | 77 | 60.1 Ų | 60.1 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 68.8 | -44.4 | 154.4 | -176.8 | 0 | 0 | 0 | 0 | 117.6 | L62 | L62-V64 PolarHBondContact O-N 2.97Š|
| 65 | D | 41.4 | Very low | 69.8 | Low | 157 Ų | 157 | 59.3 Ų | 59.3 | 84% | 0.84 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -97.9 | -2.4 | -163.7 | -64.4 | -25.2 | 0 | 0 | 0 | 114.9 | H63 | H63-D65 VanDerWaalsContact C-N 3.27Å; H63-D65 PolarHBondContact O-N 3.22Å |
| 66 | G | 48.2 | Very low | 70.1 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -114.4 | 92.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L68 | G66-L68 PolarHBondContact O-N 2.94Š|
| 67 | S | 54.8 | Low | 70.5 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 69% | 0.692 | 34% | 0.336 | S | S | * | . | trans | 36.3 | 64.9 | 165.2 | 69 | 0 | 0 | 0 | 0 | 117.3 | Q69 | S67-Q69 PolarHBondContact O-N 3.31Š| ||
| 68 | L | 61.8 | Low | 71.1 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | trans | -71.3 | -7.4 | 165.4 | -84.3 | 112 | 0 | 0 | 0 | 114.2 | L59 G66 C71 L1253 M1299 | L59-L68 HydrophobicContact CD2-CD2 3.39Å; L59-L68 HydrophobicContact CD2-CG 3.63Å; G66-L68 PolarHBondContact O-N 2.94Å; L68-C71 PolarHBondContact O-N 3.45Å; L68-C71 PolarHBondContact O-SG 3.43Å; L68-L1253 HydrophobicContact CD1-CD1 4.09Å; L68-L1253 HydrophobicContact CD2-CD1 3.37Å; L68-L1253 HydrophobicContact CG-CD1 4.39Å; L68-M1299 HydrophobicContact CB-CE 3.92Å; L68-M1299 HydrophobicContact CD2-CE 3.84Å; L68-M1299 HydrophobicContact CG-CE 4.4Å | ||
| 69 | Q | 67.6 | Low | 71.7 | Confident | 123 Ų | 123 | 63.3 Ų | 63.3 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 144.5 | 177.6 | -69.5 | 172 | -42.5 | 0 | 0 | 111 | S67 C71 P1298 | S67-Q69 PolarHBondContact O-N 3.31Å; Q69-C71 PolarHBondContact O-N 2.92Å; Q69-P1298 HydrophobicContact CG-CB 4.24Å |
| 70 | N | 74.5 | Confident | 72.5 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 11.2 | 177.4 | -49.7 | -31.5 | 0 | 0 | 0 | 116.1 | C72 A73 Q74 P1298 | N70-C72 VanDerWaalsContact C-N 3.35Å; N70-C72 PolarHBondContact O-N 2.89Å; N70-A73 HydrophobicContact CB-CB 4.18Å; N70-A73 CarbonylContact O-C 3.58Å; N70-A73 WeakPolarHBondContact O-CB 3.28Å; N70-A73 PolarHBondContact O-N 2.93Å; N70-Q74 PolarHBondContact O-N 3.31Å; N70-P1298 PolarHBondContact N-O 3.2Å; N70-P1298 VanDerWaalsContact N-O 3.17Å |
| 71 | C | 79.7 | Confident | 73.6 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | T55 L59 L68 Q69 Q74 L75 | T55-C71 HydrophobicContact CG2-CB 4.39Å; L59-C71 HydrophobicContact CD1-CB 4.12Å; L68-C71 PolarHBondContact O-N 3.45Å; L68-C71 PolarHBondContact O-SG 3.43Å; Q69-C71 PolarHBondContact O-N 2.92Å; C71-Q74 WeakPolarHBondContact O-CB 3.4Å; C71-Q74 PolarHBondContact O-N 3.35Å; C71-L75 PolarHBondContact O-N 2.99Å; C71-L75 VanDerWaalsContact O-N 3.09Å |
| 72 | C | 84.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | N70 Q74 L75 S76 M1299 C1303 | N70-C72 VanDerWaalsContact C-N 3.35Å; N70-C72 PolarHBondContact O-N 2.89Å; C72-Q74 VanDerWaalsContact C-N 3.28Å; C72-Q74 PolarHBondContact O-N 3.46Å; C72-L75 WeakPolarHBondContact O-CB 3.44Å; C72-L75 PolarHBondContact O-N 3.44Å; C72-L75 VanDerWaalsContact O-N 3.17Å; C72-S76 PolarHBondContact O-N 2.67Å; C72-S76 PolarHBondContact O-OG 3.13Å; C72-M1299 PolarHBondContact SG-O 2.99Å; C72-C1303 WeakPolarHBondContact CB-SG 3.35Å |
| 73 | A | 86.2 | Confident | 76.4 | Confident | 34 Ų | 34 | 60 Ų | 60 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N70 Y77 Q1301 | N70-A73 HydrophobicContact CB-CB 4.18Å; N70-A73 CarbonylContact O-C 3.58Å; N70-A73 WeakPolarHBondContact O-CB 3.28Å; N70-A73 PolarHBondContact O-N 2.93Å; A73-Y77 VanDerWaalsContact O-CB 3.25Å; A73-Y77 WeakPolarHBondContact O-CB 3.43Å; A73-Y77 PolarHBondContact O-N 3.43Å; A73-Q1301 PolarHBondContact N-O 3.43Å |
| 74 | Q | 85.8 | Confident | 78.4 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 172.1 | -75.1 | -179.2 | -4 | 0 | 0 | 112.4 | N70 C71 C72 S76 Y77 Y78 | N70-Q74 PolarHBondContact O-N 3.31Å; C71-Q74 WeakPolarHBondContact O-CB 3.4Å; C71-Q74 PolarHBondContact O-N 3.35Å; C72-Q74 VanDerWaalsContact C-N 3.28Å; C72-Q74 PolarHBondContact O-N 3.46Å; Q74-S76 VanDerWaalsContact C-N 3.32Å; Q74-S76 PolarHBondContact O-N 2.94Å; Q74-Y77 WeakPolarHBondContact O-CB 3.49Å; Q74-Y77 PolarHBondContact O-N 3.19Å; Q74-Y78 HydrophobicContact CB-CE2 4.33Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.44Å; Q74-Y78 PolarHBondContact O-N 3.06Å |
| 75 | L | 89.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.8 | -47 | 174.6 | -65.5 | -179.1 | 0 | 0 | 0 | 111.3 | Q52 T55 C71 C72 Y78 E79 V1243 V1246 | Q52-L75 HydrophobicContact CB-CD2 3.92Å; Q52-L75 HydrophobicContact CG-CD2 3.86Å; Q52-L75 PolarHBondContact NE2-O 3.19Å; T55-L75 HydrophobicContact CG2-CD2 4.24Å; C71-L75 PolarHBondContact O-N 2.99Å; C71-L75 VanDerWaalsContact O-N 3.09Å; C72-L75 WeakPolarHBondContact O-CB 3.44Å; C72-L75 PolarHBondContact O-N 3.44Å; C72-L75 VanDerWaalsContact O-N 3.17Å; L75-Y78 PolarHBondContact O-N 2.62Å; L75-E79 WeakPolarHBondContact O-CB 3.46Å; L75-E79 PolarHBondContact O-N 3.35Å; L75-V1243 HydrophobicContact CD1-CB 4.44Å; L75-V1243 HydrophobicContact CD1-CG1 4.22Å; L75-V1243 HydrophobicContact CD1-CG2 4.35Å; L75-V1243 HydrophobicContact CD2-CG2 4.34Å; L75-V1246 HydrophobicContact CD1-CB 3.9Å; L75-V1246 HydrophobicContact CD1-CG1 3.66Å; L75-V1246 HydrophobicContact CG-CG1 4.27Å |
| 76 | S | 89 | Confident | 82.3 | Confident | 11 Ų | 11 | 52 Ų | 52 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -34.7 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | C72 Q74 Y78 E79 N80 G1302 Q1307 | C72-S76 PolarHBondContact O-N 2.67Å; C72-S76 PolarHBondContact O-OG 3.13Å; Q74-S76 VanDerWaalsContact C-N 3.32Å; Q74-S76 PolarHBondContact O-N 2.94Å; S76-Y78 VanDerWaalsContact C-N 3.34Å; S76-E79 PolarHBondContact O-N 3.12Å; S76-N80 PolarHBondContact O-N 2.78Å; S76-N80 PolarHBondContact O-ND2 2.97Å; S76-G1302 VanDerWaalsContact CB-O 3.22Å; S76-G1302 WeakPolarHBondContact CB-O 3.48Å; S76-G1302 PolarHBondContact OG-O 2.93Å; S76-Q1307 PolarHBondContact OG-NE2 2.98Å; S76-Q1307 PolarHBondContact OG-OE1 3.42Å |
| 77 | Y | 90.3 | Very high | 84 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 35% | 0.349 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 173.6 | 179.6 | -97.1 | 0 | 0 | 0 | 110.8 | A73 Q74 D527 P529 | A73-Y77 VanDerWaalsContact O-CB 3.25Å; A73-Y77 WeakPolarHBondContact O-CB 3.43Å; A73-Y77 PolarHBondContact O-N 3.43Å; Q74-Y77 WeakPolarHBondContact O-CB 3.49Å; Q74-Y77 PolarHBondContact O-N 3.19Å; Y77-D527 WeakPolarHBondContact CE2-O 3.15Å; Y77-P529 HydrophobicContact CD1-CG 3.92Å; Y77-P529 HydrophobicContact CE1-CB 3.72Å; Y77-P529 HydrophobicContact CE1-CG 3.61Å; Y77-P529 HydrophobicContact CE2-CG 4.47Å; Y77-P529 HydrophobicContact CG-CG 4.46Å; Y77-P529 WeakPolarHBondContact O-CD 3.41Å; Y77-P529 WeakPolarHBondContact O-CG 3.49Å |
| 78 | Y | 91.2 | Very high | 85.5 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74 | -33.5 | 174.3 | -58.1 | -54.6 | 0 | 0 | 0 | 113.5 | W47 H51 Q52 Q74 L75 S76 N80 A81 | W47-Y78 AromaticContact CH2-CD1 3.85Å; W47-Y78 HydrophobicContact CH2-CD1 3.85Å; W47-Y78 HydrophobicContact CH2-CE1 4.28Å; W47-Y78 HydrophobicContact CZ3-CD1 4.12Å; H51-Y78 HydrophobicContact CB-CD1 3.72Å; H51-Y78 HydrophobicContact CB-CD2 3.85Å; H51-Y78 HydrophobicContact CB-CE1 3.79Å; H51-Y78 HydrophobicContact CB-CE2 3.92Å; H51-Y78 HydrophobicContact CB-CG 3.77Å; H51-Y78 AromaticContact CD2-CE1 3.68Å; H51-Y78 AromaticContact CD2-CZ 3.88Å; H51-Y78 AromaticContact CG-CE1 3.88Å; Q52-Y78 HydrophobicContact CG-CD2 4.3Å; Q74-Y78 HydrophobicContact CB-CE2 4.33Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.44Å; Q74-Y78 PolarHBondContact O-N 3.06Å; L75-Y78 PolarHBondContact O-N 2.62Å; S76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-N80 VanDerWaalsContact C-N 3.31Å; Y78-N80 PolarHBondContact O-N 2.9Å; Y78-A81 WeakPolarHBondContact O-CB 2.98Å; Y78-A81 PolarHBondContact O-N 3.24Å |
| 79 | E | 89.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 57.1 Ų | 57.1 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.7 | -167.1 | 177.6 | 164 | 0 | 0 | 112.1 | L75 S76 Q1307 | L75-E79 WeakPolarHBondContact O-CB 3.46Å; L75-E79 PolarHBondContact O-N 3.35Å; S76-E79 PolarHBondContact O-N 3.12Å; E79-Q1307 PolarHBondContact OE2-NE2 2.69Å |
| 80 | N | 90.4 | Very high | 87 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 17.2 | 179.3 | -65.9 | -77.7 | 0 | 0 | 0 | 113.9 | S76 Y78 T82 A528 | S76-N80 PolarHBondContact O-N 2.78Å; S76-N80 PolarHBondContact O-ND2 2.97Å; Y78-N80 VanDerWaalsContact C-N 3.31Å; Y78-N80 PolarHBondContact O-N 2.9Å; N80-T82 PolarHBondContact O-N 2.76Å; N80-A528 HydrophobicContact CB-CB 4.24Å; N80-A528 VanDerWaalsContact O-CB 3.29Å; N80-A528 WeakPolarHBondContact O-CB 3.4Å |
| 81 | A | 92.9 | Very high | 87 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 132.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | W47 Y78 F83 P529 V531 | W47-A81 HydrophobicContact CE3-CB 4.45Å; W47-A81 HydrophobicContact CZ3-CB 3.8Å; Y78-A81 WeakPolarHBondContact O-CB 2.98Å; Y78-A81 PolarHBondContact O-N 3.24Å; A81-F83 HydrophobicContact CB-CE2 4Å; A81-F83 HydrophobicContact CB-CZ 4.27Å; A81-F83 WeakPolarHBondContact O-CD2 3.38Å; A81-P529 HydrophobicContact CB-CG 3.85Å; A81-V531 HydrophobicContact CB-CG2 4.21Å |
| 82 | T | 93.2 | Very high | 86.6 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.2 | 179.8 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | N80 P529 T530 V531 | N80-T82 PolarHBondContact O-N 2.76Å; T82-P529 PolarHBondContact N-O 2.85Å; T82-P529 PolarHBondContact OG1-O 2.67Å; T82-T530 CarbonylContact O-C 3.59Å; T82-T530 WeakPolarHBondContact O-CA 3.3Å; T82-V531 PolarHBondContact O-N 3.01Å |
| 83 | F | 94.5 | Very high | 86 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.2 | -178.6 | -64.4 | -92.4 | 0 | 0 | 0 | 110.7 | K44 W47 I48 A81 V531 L533 | K44-F83 HydrophobicContact CB-CD1 4.48Å; K44-F83 HydrophobicContact CB-CD2 4.43Å; K44-F83 HydrophobicContact CB-CE1 4.09Å; K44-F83 HydrophobicContact CB-CE2 4.05Å; K44-F83 HydrophobicContact CB-CZ 3.85Å; K44-F83 HydrophobicContact CD-CD2 4.2Å; K44-F83 HydrophobicContact CD-CG 4.23Å; K44-F83 HydrophobicContact CG-CB 4.48Å; K44-F83 HydrophobicContact CG-CD1 3.76Å; K44-F83 HydrophobicContact CG-CD2 3.93Å; K44-F83 HydrophobicContact CG-CE1 3.86Å; K44-F83 HydrophobicContact CG-CE2 4.04Å; K44-F83 HydrophobicContact CG-CG 3.79Å; K44-F83 HydrophobicContact CG-CZ 4Å; W47-F83 HydrophobicContact CE3-CZ 4.22Å; I48-F83 HydrophobicContact CD1-CE2 4.01Å; I48-F83 HydrophobicContact CD1-CZ 4.04Å; I48-F83 HydrophobicContact CG1-CE2 4.46Å; I48-F83 HydrophobicContact CG1-CZ 4.05Å; A81-F83 HydrophobicContact CB-CE2 4Å; A81-F83 HydrophobicContact CB-CZ 4.27Å; A81-F83 WeakPolarHBondContact O-CD2 3.38Å; F83-V531 WeakPolarHBondContact CA-O 3.49Å; F83-V531 HydrophobicContact CD1-CB 3.69Å; F83-V531 HydrophobicContact CD1-CG1 3.83Å; F83-V531 HydrophobicContact CD1-CG2 4.42Å; F83-V531 HydrophobicContact CE1-CB 3.79Å; F83-V531 HydrophobicContact CE1-CG1 3.71Å; F83-V531 HydrophobicContact CE1-CG2 4.12Å; F83-V531 HydrophobicContact CG-CB 4.42Å; F83-V531 HydrophobicContact CZ-CG2 4.48Å; F83-L533 HydrophobicContact CB-CD1 4.35Å; F83-L533 HydrophobicContact CB-CG 4.41Å; F83-L533 HydrophobicContact CD1-CD2 3.99Å |
| 84 | R | 91.8 | Very high | 85.5 | Confident | 141 Ų | 141 | 60 Ų | 60 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146.3 | 177.8 | -59.9 | -173.1 | -175 | -156.4 | 0.9 | 111.2 | A86 V89 T530 V531 L532 L533 | R84-A86 PolarHBondContact O-N 3.13Å; R84-V89 HydrophobicContact CB-CG2 4.09Å; R84-T530 HydrophobicContact CG-CG2 4.36Å; R84-V531 PolarHBondContact N-O 3.33Å; R84-L532 CarbonylContact O-C 3.48Å; R84-L532 WeakPolarHBondContact O-CA 3.49Å; R84-L533 PolarHBondContact O-N 3.09Å |
| 85 | D | 89.1 | Confident | 85 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 130.9 | 176 | -55.4 | -39.1 | 0 | 0 | 0 | 110.6 | I87 S88 | D85-I87 PolarHBondContact O-N 2.89Å; D85-I87 VanDerWaalsContact O-N 3.08Å; D85-S88 WeakPolarHBondContact O-CB 3.36Å; D85-S88 PolarHBondContact O-N 3.24Å; D85-S88 PolarHBondContact O-OG 2.82Å |
| 86 | A | 84.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.8 | -26.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R84 S88 V89 L90 T94 L532 L533 I534 | R84-A86 PolarHBondContact O-N 3.13Å; A86-S88 VanDerWaalsContact C-N 3.29Å; A86-S88 PolarHBondContact O-N 3.32Å; A86-V89 PolarHBondContact O-N 3.45Å; A86-L90 WeakPolarHBondContact O-CA 3.48Å; A86-L90 PolarHBondContact O-N 2.88Å; A86-T94 HydrophobicContact CB-CG2 3.86Å; A86-T94 PolarHBondContact O-OG1 3.08Å; A86-T94 VanDerWaalsContact O-OG1 3.11Å; A86-L532 HydrophobicContact CB-CB 4.23Å; A86-L533 VanDerWaalsContact CB-O 3.27Å; A86-L533 WeakPolarHBondContact CB-O 3.15Å; A86-L533 PolarHBondContact N-O 3.42Å; A86-I534 HydrophobicContact CB-CB 4.28Å; A86-I534 HydrophobicContact CB-CG1 3.69Å |
| 87 | I | 83.7 | Confident | 83.9 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.1 | -26.6 | 175.6 | -125.4 | 164.9 | 0 | 0 | 0 | 112.6 | D85 P91 T94 | D85-I87 PolarHBondContact O-N 2.89Å; D85-I87 VanDerWaalsContact O-N 3.08Å; I87-P91 WeakPolarHBondContact O-CB 3.1Å; I87-P91 WeakPolarHBondContact O-CD 3.47Å; I87-T94 WeakPolarHBondContact CA-OG1 3.02Å; I87-T94 HydrophobicContact CB-CG2 4.28Å; I87-T94 HydrophobicContact CG1-CG2 4.05Å; I87-T94 PolarHBondContact N-OG1 3.06Å |
| 88 | S | 86.1 | Confident | 83.6 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80.5 | -24 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | D85 A86 | D85-S88 WeakPolarHBondContact O-CB 3.36Å; D85-S88 PolarHBondContact O-N 3.24Å; D85-S88 PolarHBondContact O-OG 2.82Å; A86-S88 VanDerWaalsContact C-N 3.29Å; A86-S88 PolarHBondContact O-N 3.32Å |
| 89 | V | 80.5 | Confident | 83.2 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -106.1 | -36.4 | -174.4 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | R84 A86 P91 L532 | R84-V89 HydrophobicContact CB-CG2 4.09Å; A86-V89 PolarHBondContact O-N 3.45Å; V89-P91 VanDerWaalsContact C-CD 3.49Å; V89-L532 HydrophobicContact CB-CD2 3.89Å; V89-L532 HydrophobicContact CG1-CD2 4.18Å; V89-L532 HydrophobicContact CG2-CD2 3.71Å |
| 90 | L | 80 | Confident | 82.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | trans | -133.2 | 46.6 | -174.4 | -61.9 | 175.8 | 0 | 0 | 0 | 113 | A86 S92 Y93 T94 L97 L532 | A86-L90 WeakPolarHBondContact O-CA 3.48Å; A86-L90 PolarHBondContact O-N 2.88Å; L90-S92 VanDerWaalsContact C-N 3.26Å; L90-S92 PolarHBondContact O-N 3.41Å; L90-Y93 PolarHBondContact O-N 3.15Å; L90-T94 PolarHBondContact O-N 3.14Å; L90-T94 PolarHBondContact O-OG1 3.37Å; L90-L97 HydrophobicContact CD1-CD1 4.3Å; L90-L532 HydrophobicContact CD1-CD1 3.67Å; L90-L532 HydrophobicContact CG-CD1 4.36Å | ||
| 91 | P | 74.1 | Confident | 82.6 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.3 | -169.4 | 17.9 | -31.2 | 0 | 0 | 0 | 114.7 | I87 V89 Y93 | I87-P91 WeakPolarHBondContact O-CB 3.1Å; I87-P91 WeakPolarHBondContact O-CD 3.47Å; V89-P91 VanDerWaalsContact C-CD 3.49Å; P91-Y93 PolarHBondContact O-N 2.82Å |
| 92 | S | 72.8 | Confident | 82.2 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 59% | 0.587 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -12.6 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | L90 | L90-S92 VanDerWaalsContact C-N 3.26Å; L90-S92 PolarHBondContact O-N 3.41Å |
| 93 | Y | 70.8 | Confident | 81.8 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 30% | 0.302 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -11.5 | -176.1 | -51.5 | -66.9 | 0 | 0 | 0 | 113.3 | L90 P91 A95 T96 L97 P475 | L90-Y93 PolarHBondContact O-N 3.15Å; P91-Y93 PolarHBondContact O-N 2.82Å; Y93-A95 VanDerWaalsContact C-N 3.32Å; Y93-A95 PolarHBondContact O-N 3.11Å; Y93-T96 WeakPolarHBondContact O-CB 3.38Å; Y93-T96 PolarHBondContact O-N 3.29Å; Y93-T96 VanDerWaalsContact O-N 3.12Å; Y93-L97 VanDerWaalsContact O-CG 3.26Å; Y93-L97 WeakPolarHBondContact O-CG 3.43Å; Y93-L97 PolarHBondContact O-N 3.48Å; Y93-P475 HydrophobicContact CD1-CG 4.1Å; Y93-P475 HydrophobicContact CD2-CG 4.27Å; Y93-P475 HydrophobicContact CE1-CG 3.65Å; Y93-P475 HydrophobicContact CE2-CG 3.83Å; Y93-P475 HydrophobicContact CG-CG 4.41Å |
| 94 | T | 76 | Confident | 81.4 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -42.2 | -175.4 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | A86 I87 L90 L97 T98 | A86-T94 HydrophobicContact CB-CG2 3.86Å; A86-T94 PolarHBondContact O-OG1 3.08Å; A86-T94 VanDerWaalsContact O-OG1 3.11Å; I87-T94 WeakPolarHBondContact CA-OG1 3.02Å; I87-T94 HydrophobicContact CB-CG2 4.28Å; I87-T94 HydrophobicContact CG1-CG2 4.05Å; I87-T94 PolarHBondContact N-OG1 3.06Å; L90-T94 PolarHBondContact O-N 3.14Å; L90-T94 PolarHBondContact O-OG1 3.37Å; T94-L97 PolarHBondContact O-N 3.44Å; T94-T98 VanDerWaalsContact O-CB 3.24Å; T94-T98 WeakPolarHBondContact O-CB 3.15Å; T94-T98 PolarHBondContact O-N 3.38Å; T94-T98 PolarHBondContact O-OG1 3.15Å |
| 95 | A | 76.3 | Confident | 81 | Confident | 76 Ų | 76 | 46 Ų | 46 | 63% | 0.628 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y93 L97 T98 E99 | Y93-A95 VanDerWaalsContact C-N 3.32Å; Y93-A95 PolarHBondContact O-N 3.11Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 3.38Å; A95-T98 WeakPolarHBondContact O-CB 3.48Å; A95-T98 PolarHBondContact O-N 3.03Å; A95-E99 PolarHBondContact O-N 3.34Å |
| 96 | T | 75.8 | Confident | 80.7 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | Y93 L100 L470 | Y93-T96 WeakPolarHBondContact O-CB 3.38Å; Y93-T96 PolarHBondContact O-N 3.29Å; Y93-T96 VanDerWaalsContact O-N 3.12Å; T96-L100 PolarHBondContact O-N 3.1Å; T96-L100 VanDerWaalsContact O-N 3.1Å; T96-L470 HydrophobicContact CG2-CD2 3.46Å; T96-L470 VanDerWaalsContact CG2-CD2 3.46Å; T96-L470 HydrophobicContact CG2-CG 4.28Å; T96-L470 VanDerWaalsContact O-CD2 3.28Å; T96-L470 WeakPolarHBondContact O-CD2 3.46Å |
| 97 | L | 78.8 | Confident | 80.9 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.3 | -37.8 | 179.7 | -64.7 | 163.8 | 0 | 0 | 0 | 112.3 | L90 Y93 T94 A95 E99 L100 L101 L420 V424 L474 | L90-L97 HydrophobicContact CD1-CD1 4.3Å; Y93-L97 VanDerWaalsContact O-CG 3.26Å; Y93-L97 WeakPolarHBondContact O-CG 3.43Å; Y93-L97 PolarHBondContact O-N 3.48Å; T94-L97 PolarHBondContact O-N 3.44Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 3.38Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E99 PolarHBondContact O-N 3.09Å; L97-L100 PolarHBondContact O-N 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.2Å; L97-L101 PolarHBondContact O-N 2.69Å; L97-L420 HydrophobicContact CD1-CD2 3.9Å; L97-L420 HydrophobicContact CD2-CD1 4.2Å; L97-L420 HydrophobicContact CD2-CD2 4.05Å; L97-L420 HydrophobicContact CD2-CG 4.25Å; L97-V424 HydrophobicContact CD2-CG2 4.3Å; L97-L474 HydrophobicContact CD2-CD2 4.08Å |
| 98 | T | 84.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 172.2 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | T94 A95 L101 R102 P535 | T94-T98 VanDerWaalsContact O-CB 3.24Å; T94-T98 WeakPolarHBondContact O-CB 3.15Å; T94-T98 PolarHBondContact O-N 3.38Å; T94-T98 PolarHBondContact O-OG1 3.15Å; A95-T98 WeakPolarHBondContact O-CB 3.48Å; A95-T98 PolarHBondContact O-N 3.03Å; T98-L101 PolarHBondContact O-N 3.34Å; T98-R102 WeakPolarHBondContact O-CG 3.41Å; T98-R102 PolarHBondContact O-N 3.2Å; T98-P535 WeakPolarHBondContact CB-O 3.21Å; T98-P535 WeakPolarHBondContact CG2-O 3.2Å; T98-P535 PolarHBondContact OG1-O 3.03Å |
| 99 | E | 81.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.3 | -33.7 | -177.4 | -151.5 | 55.9 | -127.7 | 0 | 0 | 112.6 | A95 L97 L101 R102 L103 | A95-E99 PolarHBondContact O-N 3.34Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E99 PolarHBondContact O-N 3.09Å; E99-L101 PolarHBondContact O-N 3.43Å; E99-R102 PolarHBondContact O-N 2.98Å; E99-R102 WeakPolarHBondContact OE1-CD 3.38Å; E99-R102 VanDerWaalsContact OE2-CD 3.29Å; E99-R102 WeakPolarHBondContact OE2-CD 3.46Å; E99-R102 IonicContact OE2-CZ 2.71Å; E99-R102 IonicContact OE2-NE 2.68Å; E99-R102 IonicContact OE2-NH1 3.9Å; E99-R102 PolarHBondContact OE2-NH1 3.49Å; E99-L103 WeakPolarHBondContact O-CB 3.42Å; E99-L103 PolarHBondContact O-N 3Å |
| 100 | L | 82.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 169.7 | -179.9 | 60.4 | 0 | 0 | 0 | 111.6 | T96 L97 L103 L104 L423 V424 Y427 L470 | T96-L100 PolarHBondContact O-N 3.1Å; T96-L100 VanDerWaalsContact O-N 3.1Å; L97-L100 PolarHBondContact O-N 3.29Å; L100-L103 PolarHBondContact O-N 3.02Å; L100-L104 HydrophobicContact CD1-CD1 4.14Å; L100-L104 HydrophobicContact CD1-CG 4.37Å; L100-L104 HydrophobicContact CG-CD1 4.08Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.33Å; L100-L104 PolarHBondContact O-N 3.35Å; L100-L423 HydrophobicContact CD2-CD2 4.01Å; L100-L423 HydrophobicContact CG-CD2 4.48Å; L100-V424 HydrophobicContact CD2-CG2 3.88Å; L100-Y427 HydrophobicContact CD1-CD1 3.87Å; L100-Y427 HydrophobicContact CD1-CD2 4.08Å; L100-Y427 HydrophobicContact CD1-CE1 3.93Å; L100-Y427 HydrophobicContact CD1-CE2 4.15Å; L100-Y427 HydrophobicContact CD1-CG 3.96Å; L100-L470 HydrophobicContact CB-CD2 4.23Å |
| 101 | L | 85.9 | Confident | 82.2 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 178.5 | -71.7 | 174.7 | 0 | 0 | 0 | 112.2 | L97 T98 E99 L104 L105 M415 L423 I534 I536 | L97-L101 WeakPolarHBondContact O-CG 3.2Å; L97-L101 PolarHBondContact O-N 2.69Å; T98-L101 PolarHBondContact O-N 3.34Å; E99-L101 PolarHBondContact O-N 3.43Å; L101-L104 PolarHBondContact O-N 3.41Å; L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 PolarHBondContact O-N 2.9Å; L101-M415 HydrophobicContact CD2-SD 4.21Å; L101-L423 HydrophobicContact CD2-CD1 4.08Å; L101-I534 HydrophobicContact CD1-CB 4.07Å; L101-I534 HydrophobicContact CD1-CD1 3.95Å; L101-I534 HydrophobicContact CD1-CG2 3.83Å; L101-I536 HydrophobicContact CB-CG2 3.76Å; L101-I536 HydrophobicContact CD1-CG2 3.91Å; L101-I536 HydrophobicContact CG-CG2 4.49Å |
| 102 | R | 84.4 | Confident | 83 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 25% | 0.249 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56 | -49.8 | 170.6 | -78.1 | 169.4 | -176.4 | 162.3 | 4.5 | 112.1 | T98 E99 L104 L105 N106 I536 S537 | T98-R102 WeakPolarHBondContact O-CG 3.41Å; T98-R102 PolarHBondContact O-N 3.2Å; E99-R102 PolarHBondContact O-N 2.98Å; E99-R102 WeakPolarHBondContact OE1-CD 3.38Å; E99-R102 VanDerWaalsContact OE2-CD 3.29Å; E99-R102 WeakPolarHBondContact OE2-CD 3.46Å; E99-R102 IonicContact OE2-CZ 2.71Å; E99-R102 IonicContact OE2-NE 2.68Å; E99-R102 IonicContact OE2-NH1 3.9Å; E99-R102 PolarHBondContact OE2-NH1 3.49Å; R102-L104 VanDerWaalsContact C-N 3.26Å; R102-L104 PolarHBondContact O-N 3Å; R102-L105 PolarHBondContact O-N 3.25Å; R102-N106 VanDerWaalsContact O-CB 3.28Å; R102-N106 WeakPolarHBondContact O-CB 3.38Å; R102-N106 VanDerWaalsContact O-CG 3.25Å; R102-N106 PolarHBondContact O-N 3.03Å; R102-N106 PolarHBondContact O-ND2 2.87Å; R102-I536 WeakPolarHBondContact CD-O 3.22Å; R102-I536 WeakPolarHBondContact CG-O 3.24Å; R102-I536 PolarHBondContact NE-O 3.33Å; R102-S537 VanDerWaalsContact NH2-C 3.33Å; R102-S537 PolarHBondContact NH2-O 2.67Å |
| 103 | L | 84.2 | Confident | 83.7 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -34.7 | -177.5 | -176.1 | 152.7 | 0 | 0 | 0 | 111.7 | E99 L100 N107 L110 V463 M467 | E99-L103 WeakPolarHBondContact O-CB 3.42Å; E99-L103 PolarHBondContact O-N 3Å; L100-L103 PolarHBondContact O-N 3.02Å; L103-N107 WeakPolarHBondContact O-CB 3.31Å; L103-N107 PolarHBondContact O-N 3.36Å; L103-L110 HydrophobicContact CD2-CD2 3.33Å; L103-V463 HydrophobicContact CD1-CG1 3.78Å; L103-M467 HydrophobicContact CD1-CE 3.91Å; L103-M467 HydrophobicContact CD1-CG 4.12Å; L103-M467 HydrophobicContact CD2-CE 3.5Å; L103-M467 HydrophobicContact CG-CE 4.27Å |
| 104 | L | 85.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.5 | -42.4 | 174.6 | -67.1 | 167.9 | 0 | 0 | 0 | 112.2 | L100 L101 R102 N107 L110 V111 I114 F135 L423 Y427 | L100-L104 HydrophobicContact CD1-CD1 4.14Å; L100-L104 HydrophobicContact CD1-CG 4.37Å; L100-L104 HydrophobicContact CG-CD1 4.08Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.33Å; L100-L104 PolarHBondContact O-N 3.35Å; L101-L104 PolarHBondContact O-N 3.41Å; R102-L104 VanDerWaalsContact C-N 3.26Å; R102-L104 PolarHBondContact O-N 3Å; L104-N107 CarbonylContact O-C 3.59Å; L104-N107 PolarHBondContact O-N 3.3Å; L104-L110 HydrophobicContact CD2-CD2 3.98Å; L104-L110 HydrophobicContact CD2-CG 4.25Å; L104-V111 HydrophobicContact CB-CG2 4.1Å; L104-V111 HydrophobicContact CD2-CG2 4.12Å; L104-V111 WeakPolarHBondContact O-CG2 3.44Å; L104-I114 HydrophobicContact CD2-CD1 3.7Å; L104-F135 HydrophobicContact CD1-CE1 4.01Å; L104-F135 HydrophobicContact CD2-CE1 4.11Å; L104-F135 HydrophobicContact CG-CE1 4.49Å; L104-L423 HydrophobicContact CD1-CD1 4.36Å; L104-L423 HydrophobicContact CD1-CD2 3.81Å; L104-L423 HydrophobicContact CD1-CG 4.35Å; L104-Y427 HydrophobicContact CD2-CD2 4.4Å |
| 105 | L | 84.9 | Confident | 85.2 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 177.6 | -174.2 | 75.3 | 0 | 0 | 0 | 112.1 | L101 R102 N107 A139 F140 D148 C151 I536 | L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 PolarHBondContact O-N 2.9Å; R102-L105 PolarHBondContact O-N 3.25Å; L105-N107 PolarHBondContact O-N 3.23Å; L105-A139 WeakPolarHBondContact CD1-O 3.49Å; L105-F140 HydrophobicContact CD1-CD1 4.29Å; L105-D148 WeakPolarHBondContact CD1-OD1 3.33Å; L105-C151 PolarHBondContact O-SG 2.59Å; L105-I536 HydrophobicContact CD2-CD1 4.28Å |
| 106 | N | 82.9 | Confident | 85.7 | Confident | 128 Ų | 128 | 35.2 Ų | 35.2 | 68% | 0.684 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.3 | -179.1 | -64.7 | -17.4 | 0 | 0 | 0 | 112.9 | R102 | R102-N106 VanDerWaalsContact O-CB 3.28Å; R102-N106 WeakPolarHBondContact O-CB 3.38Å; R102-N106 VanDerWaalsContact O-CG 3.25Å; R102-N106 PolarHBondContact O-N 3.03Å; R102-N106 PolarHBondContact O-ND2 2.87Å |
| 107 | N | 86.7 | Confident | 86.1 | Confident | 73 Ų | 73 | 35.1 Ų | 35.1 | 39% | 0.39 | 17% | 0.166 | S | C | . | . | trans | -134.6 | 67.6 | -177.7 | -157.2 | -33.1 | 0 | 0 | 0 | 111.5 | L103 L104 L105 R109 L110 V111 | L103-N107 WeakPolarHBondContact O-CB 3.31Å; L103-N107 PolarHBondContact O-N 3.36Å; L104-N107 CarbonylContact O-C 3.59Å; L104-N107 PolarHBondContact O-N 3.3Å; L105-N107 PolarHBondContact O-N 3.23Å; N107-R109 PolarHBondContact O-N 3.3Å; N107-L110 HydrophobicContact CB-CB 3.93Å; N107-L110 WeakPolarHBondContact O-CA 3.45Å; N107-L110 WeakPolarHBondContact O-CB 3.42Å; N107-L110 PolarHBondContact O-N 3.06Å; N107-L110 PolarHBondContact OD1-N 3Å; N107-V111 PolarHBondContact O-N 2.91Å | ||
| 108 | S | 90.2 | Very high | 86.3 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -41.2 | -36.3 | 171.1 | -38.4 | 0 | 0 | 0 | 0 | 113.2 | A112 C151 E154 A155 | S108-A112 PolarHBondContact O-N 3.17Å; S108-C151 WeakPolarHBondContact CB-O 3.45Å; S108-C151 PolarHBondContact OG-O 3.28Å; S108-E154 VanDerWaalsContact CB-CB 3.47Å; S108-E154 WeakPolarHBondContact CB-OE2 3.39Å; S108-E154 PolarHBondContact OG-OE2 3.3Å; S108-A155 WeakPolarHBondContact O-CA 3.49Å; S108-A155 WeakPolarHBondContact O-CB 3.48Å |
| 109 | R | 88.7 | Confident | 86.2 | Confident | 172 Ų | 172 | 37.2 Ų | 37.2 | 65% | 0.649 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -74.8 | -32.7 | 178.9 | -169.2 | 174.4 | -174.2 | -177.9 | 1 | 113.5 | N107 N113 C158 | N107-R109 PolarHBondContact O-N 3.3Å; R109-N113 PolarHBondContact O-N 3.38Å; R109-N113 VanDerWaalsContact O-N 3.13Å; R109-N113 PolarHBondContact O-ND2 3.41Å; R109-C158 HydrophobicContact CG-CB 4.47Å |
| 110 | L | 88.2 | Confident | 86.1 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -47.7 | 173.3 | 174.8 | 60.4 | 0 | 0 | 0 | 110.6 | L103 L104 N107 A112 N113 I114 Y427 F430 M467 | L103-L110 HydrophobicContact CD2-CD2 3.33Å; L104-L110 HydrophobicContact CD2-CD2 3.98Å; L104-L110 HydrophobicContact CD2-CG 4.25Å; N107-L110 HydrophobicContact CB-CB 3.93Å; N107-L110 WeakPolarHBondContact O-CA 3.45Å; N107-L110 WeakPolarHBondContact O-CB 3.42Å; N107-L110 PolarHBondContact O-N 3.06Å; N107-L110 PolarHBondContact OD1-N 3Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.83Å; L110-N113 WeakPolarHBondContact O-CA 3.42Å; L110-N113 WeakPolarHBondContact O-CB 3.29Å; L110-N113 PolarHBondContact O-N 2.97Å; L110-I114 HydrophobicContact CD1-CD1 4.1Å; L110-I114 HydrophobicContact CD1-CG1 4.21Å; L110-I114 HydrophobicContact CG-CD1 3.92Å; L110-I114 HydrophobicContact CG-CG1 4.48Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 3.34Å; L110-Y427 HydrophobicContact CD2-CE2 4.4Å; L110-F430 HydrophobicContact CD1-CD1 3.97Å; L110-F430 HydrophobicContact CD1-CE1 3.45Å; L110-F430 VanDerWaalsContact CD1-CE1 3.45Å; L110-F430 HydrophobicContact CD1-CZ 4.13Å; L110-M467 HydrophobicContact CD2-CE 3.83Å |
| 111 | V | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.1 | -46.1 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 111 | L104 N107 N113 I114 L115 F135 F140 | L104-V111 HydrophobicContact CB-CG2 4.1Å; L104-V111 HydrophobicContact CD2-CG2 4.12Å; L104-V111 WeakPolarHBondContact O-CG2 3.44Å; N107-V111 PolarHBondContact O-N 2.91Å; V111-N113 VanDerWaalsContact C-N 3.28Å; V111-N113 PolarHBondContact O-N 3.25Å; V111-I114 PolarHBondContact O-N 2.79Å; V111-L115 HydrophobicContact CG1-CD1 3.92Å; V111-L115 HydrophobicContact CG1-CG 4.41Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3Å; V111-F135 HydrophobicContact CB-CD1 4.4Å; V111-F135 HydrophobicContact CB-CE1 4.43Å; V111-F135 HydrophobicContact CG1-CB 4.37Å; V111-F135 HydrophobicContact CG1-CD1 3.49Å; V111-F135 VanDerWaalsContact CG1-CD1 3.49Å; V111-F135 HydrophobicContact CG1-CE1 3.89Å; V111-F135 HydrophobicContact CG1-CG 3.95Å; V111-F135 HydrophobicContact CG2-CD1 4.09Å; V111-F135 HydrophobicContact CG2-CE1 3.98Å; V111-F140 HydrophobicContact CB-CZ 4.19Å; V111-F140 HydrophobicContact CG1-CE2 3.87Å; V111-F140 HydrophobicContact CG1-CZ 3.94Å; V111-F140 HydrophobicContact CG2-CZ 4.09Å |
| 112 | A | 90.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -35.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S108 L110 H116 C158 L159 L162 | S108-A112 PolarHBondContact O-N 3.17Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.83Å; A112-H116 WeakPolarHBondContact O-CB 3.33Å; A112-H116 PolarHBondContact O-N 3.36Å; A112-C158 HydrophobicContact CB-CB 3.42Å; A112-C158 VanDerWaalsContact CB-CB 3.42Å; A112-L159 HydrophobicContact CB-CD2 4.13Å; A112-L159 HydrophobicContact CB-CG 3.81Å; A112-L159 VanDerWaalsContact O-CD2 3.24Å; A112-L159 WeakPolarHBondContact O-CD2 3.35Å; A112-L162 HydrophobicContact CB-CD1 4.35Å |
| 113 | N | 88.5 | Confident | 83.1 | Confident | 37 Ų | 37 | 49 Ų | 49 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.5 | -36.8 | 176.7 | -85.6 | -80.6 | 0 | 0 | 0 | 112.9 | R109 L110 V111 L117 F430 | R109-N113 PolarHBondContact O-N 3.38Å; R109-N113 VanDerWaalsContact O-N 3.13Å; R109-N113 PolarHBondContact O-ND2 3.41Å; L110-N113 WeakPolarHBondContact O-CA 3.42Å; L110-N113 WeakPolarHBondContact O-CB 3.29Å; L110-N113 PolarHBondContact O-N 2.97Å; V111-N113 VanDerWaalsContact C-N 3.28Å; V111-N113 PolarHBondContact O-N 3.25Å; N113-L117 PolarHBondContact O-N 3.18Å; N113-F430 HydrophobicContact CB-CE2 3.61Å; N113-F430 HydrophobicContact CB-CZ 3.7Å |
| 114 | I | 88.4 | Confident | 81.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -51 | 175.7 | -64.2 | 163.5 | 0 | 0 | 0 | 109.7 | L104 L110 V111 H116 L117 A118 F135 A426 Y427 F430 | L104-I114 HydrophobicContact CD2-CD1 3.7Å; L110-I114 HydrophobicContact CD1-CD1 4.1Å; L110-I114 HydrophobicContact CD1-CG1 4.21Å; L110-I114 HydrophobicContact CG-CD1 3.92Å; L110-I114 HydrophobicContact CG-CG1 4.48Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 3.34Å; V111-I114 PolarHBondContact O-N 2.79Å; I114-H116 PolarHBondContact O-N 3.09Å; I114-L117 WeakPolarHBondContact O-CB 3.32Å; I114-L117 PolarHBondContact O-N 3.26Å; I114-L117 VanDerWaalsContact O-N 3.16Å; I114-A118 PolarHBondContact O-N 3.37Å; I114-F135 HydrophobicContact CD1-CZ 4.19Å; I114-F135 HydrophobicContact CG2-CE2 4.12Å; I114-F135 HydrophobicContact CG2-CZ 4.09Å; I114-A426 HydrophobicContact CG2-CB 4.13Å; I114-Y427 HydrophobicContact CD1-CD2 4.01Å; I114-F430 HydrophobicContact CB-CB 4.43Å; I114-F430 HydrophobicContact CB-CG 4.47Å; I114-F430 HydrophobicContact CG1-CB 3.81Å; I114-F430 HydrophobicContact CG1-CD1 3.89Å; I114-F430 HydrophobicContact CG1-CD2 4.14Å; I114-F430 HydrophobicContact CG1-CG 3.67Å; I114-F430 HydrophobicContact CG2-CB 4.43Å |
| 115 | L | 90.1 | Very high | 80 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 179.7 | -70.4 | 176.5 | 0 | 0 | 0 | 112.4 | V111 L117 A118 D119 A131 F135 L159 S182 L186 | V111-L115 HydrophobicContact CG1-CD1 3.92Å; V111-L115 HydrophobicContact CG1-CG 4.41Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.39Å; L115-A118 PolarHBondContact O-N 3.47Å; L115-D119 PolarHBondContact O-N 3.35Å; L115-D119 VanDerWaalsContact O-N 3.1Å; L115-A131 HydrophobicContact CD2-CB 3.86Å; L115-F135 HydrophobicContact CD2-CD2 3.79Å; L115-F135 HydrophobicContact CD2-CE2 4.25Å; L115-F135 HydrophobicContact CG-CD2 4.24Å; L115-L159 HydrophobicContact CB-CD2 4.38Å; L115-S182 PolarHBondContact O-OG 3.33Å; L115-L186 HydrophobicContact CD1-CD1 3.48Å; L115-L186 VanDerWaalsContact CD1-CD1 3.48Å; L115-L186 HydrophobicContact CD1-CG 4.4Å |
| 116 | H | 87 | Confident | 78.6 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 22% | 0.222 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 172.3 | 177.1 | 28.8 | 0 | 0 | 0 | 112.5 | A112 I114 D119 T120 L159 L162 | A112-H116 WeakPolarHBondContact O-CB 3.33Å; A112-H116 PolarHBondContact O-N 3.36Å; I114-H116 PolarHBondContact O-N 3.09Å; H116-D119 PolarHBondContact O-N 3.25Å; H116-T120 PolarHBondContact O-N 3.49Å; H116-L159 HydrophobicContact CB-CD2 4.27Å; H116-L162 HydrophobicContact CB-CB 4.49Å; H116-L162 HydrophobicContact CB-CD1 4.13Å |
| 117 | L | 84.4 | Confident | 78.1 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 173.4 | 179.1 | 68.6 | 0 | 0 | 0 | 111.1 | N113 I114 L115 D119 T120 L121 F430 V433 | N113-L117 PolarHBondContact O-N 3.18Å; I114-L117 WeakPolarHBondContact O-CB 3.32Å; I114-L117 PolarHBondContact O-N 3.26Å; I114-L117 VanDerWaalsContact O-N 3.16Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.39Å; L117-D119 PolarHBondContact O-N 3.21Å; L117-T120 WeakPolarHBondContact O-CA 3.46Å; L117-T120 PolarHBondContact O-N 2.89Å; L117-T120 PolarHBondContact O-OG1 3.22Å; L117-L121 HydrophobicContact CD1-CG 4.47Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 HydrophobicContact CG-CG 4.44Å; L117-L121 PolarHBondContact O-N 2.73Å; L117-F430 HydrophobicContact CB-CD2 4.24Å; L117-F430 HydrophobicContact CD2-CB 4.08Å; L117-F430 HydrophobicContact CD2-CD2 3.94Å; L117-F430 HydrophobicContact CD2-CG 4.49Å; L117-V433 HydrophobicContact CD1-CB 4.44Å; L117-V433 HydrophobicContact CD1-CG1 3.89Å; L117-V433 HydrophobicContact CD2-CB 3.9Å; L117-V433 HydrophobicContact CD2-CG1 4.25Å; L117-V433 HydrophobicContact CD2-CG2 4.17Å |
| 118 | A | 82.7 | Confident | 77.7 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -31.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I114 L115 T120 | I114-A118 PolarHBondContact O-N 3.37Å; L115-A118 PolarHBondContact O-N 3.47Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 3.26Å |
| 119 | D | 81.8 | Confident | 77.3 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.1 | 171.7 | -74 | -40.4 | 0 | 0 | 0 | 114.6 | L115 H116 L117 S128 Q163 S182 | L115-D119 PolarHBondContact O-N 3.35Å; L115-D119 VanDerWaalsContact O-N 3.1Å; H116-D119 PolarHBondContact O-N 3.25Å; L117-D119 PolarHBondContact O-N 3.21Å; D119-S128 VanDerWaalsContact OD1-CB 3.26Å; D119-S128 WeakPolarHBondContact OD1-CB 3.28Å; D119-S128 PolarHBondContact OD1-OG 2.63Å; D119-Q163 PolarHBondContact OD2-NE2 3.18Å; D119-S182 VanDerWaalsContact CG-OG 3.26Å; D119-S182 PolarHBondContact OD1-N 3.21Å; D119-S182 PolarHBondContact OD1-OG 2.91Å; D119-S182 WeakPolarHBondContact OD2-CB 3.4Å; D119-S182 PolarHBondContact OD2-N 2.98Å; D119-S182 PolarHBondContact OD2-OG 3.32Å |
| 120 | T | 79.4 | Confident | 77.1 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -3.4 | -179.2 | 60.1 | 0 | 0 | 0 | 0 | 114 | H116 L117 A118 | H116-T120 PolarHBondContact O-N 3.49Å; L117-T120 WeakPolarHBondContact O-CA 3.46Å; L117-T120 PolarHBondContact O-N 2.89Å; L117-T120 PolarHBondContact O-OG1 3.22Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 3.26Å |
| 121 | L | 74.8 | Confident | 77.1 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -100.4 | 130.4 | 175.5 | -64.4 | 172.8 | 0 | 0 | 0 | 109.4 | L117 T429 | L117-L121 HydrophobicContact CD1-CG 4.47Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 HydrophobicContact CG-CG 4.44Å; L117-L121 PolarHBondContact O-N 2.73Å; L121-T429 HydrophobicContact CD1-CG2 3.93Å |
| 122 | D | 58 | Low | 77.1 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 75% | 0.749 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 146.8 | 173.5 | -77.8 | -54.9 | 0 | 0 | 0 | 111 | ||
| 123 | P | 57.6 | Low | 77.1 | Confident | 109 Ų | 109 | 54.3 Ų | 54.3 | 71% | 0.708 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 136.2 | 168.3 | -23.1 | 33.8 | 0 | 0 | 0 | 110.1 | ||
| 124 | P | 51.3 | Low | 77.3 | Confident | 111 Ų | 111 | 53 Ų | 53 | 72% | 0.721 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -106.3 | -1 | 39.8 | 38 | -38.5 | 0 | 0 | 0 | 116.7 | S126 | P124-S126 PolarHBondContact O-N 3.44Š|
| 125 | Y | 52.4 | Low | 77.5 | Confident | 171 Ų | 171 | 52.9 Ų | 52.9 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -69.3 | -24.4 | -158.1 | -67.1 | -76.5 | 0 | 0 | 0 | 116.5 | ||
| 126 | S | 55.6 | Low | 77.7 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | trans | -166.9 | 142.9 | 165.4 | -77.2 | 0 | 0 | 0 | 0 | 109 | P124 S128 | P124-S126 PolarHBondContact O-N 3.44Å; S126-S128 PolarHBondContact O-N 3.2Å | ||
| 127 | S | 72 | Confident | 77.9 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | trans | -76 | 116.5 | 162.6 | 174.5 | 0 | 0 | 0 | 0 | 108.4 | D129 E130 A131 | S127-D129 PolarHBondContact O-N 3.41Å; S127-D129 VanDerWaalsContact O-N 3.12Å; S127-E130 WeakPolarHBondContact O-CB 3.4Å; S127-E130 PolarHBondContact O-N 2.9Å; S127-A131 PolarHBondContact O-N 3.19Å | ||
| 128 | S | 78.5 | Confident | 78.1 | Confident | 18 Ų | 18 | 50 Ų | 50 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.3 | -10.3 | 178.8 | 77.4 | 0 | 0 | 0 | 0 | 113.3 | D119 S126 C132 K185 | D119-S128 VanDerWaalsContact OD1-CB 3.26Å; D119-S128 WeakPolarHBondContact OD1-CB 3.28Å; D119-S128 PolarHBondContact OD1-OG 2.63Å; S126-S128 PolarHBondContact O-N 3.2Å; S128-C132 PolarHBondContact O-N 3.12Å; S128-C132 PolarHBondContact O-SG 2.86Å; S128-K185 PolarHBondContact OG-NZ 2.96Å |
| 129 | D | 82.4 | Confident | 78.3 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.4 | -46.1 | 167.2 | -156.3 | 73.9 | 0 | 0 | 0 | 111.2 | S127 C132 R133 K185 | S127-D129 PolarHBondContact O-N 3.41Å; S127-D129 VanDerWaalsContact O-N 3.12Å; D129-C132 WeakPolarHBondContact O-CB 2.97Å; D129-C132 PolarHBondContact O-N 2.91Å; D129-R133 WeakPolarHBondContact O-CD 3.26Å; D129-R133 WeakPolarHBondContact O-CG 3.3Å; D129-R133 PolarHBondContact O-N 3.35Å; D129-R133 IonicContact OD2-CZ 2.75Å; D129-R133 VanDerWaalsContact OD2-CZ 3.27Å; D129-R133 IonicContact OD2-NE 3.86Å; D129-R133 PolarHBondContact OD2-NE 3.27Å; D129-R133 IonicContact OD2-NH2 3.21Å; D129-R133 PolarHBondContact OD2-NH2 2.66Å; D129-K185 HydrophobicContact CB-CD 4.36Å; D129-K185 WeakPolarHBondContact OD1-CE 3.27Å; D129-K185 WeakPolarHBondContact OD1-CG 3.48Å |
| 130 | E | 84.4 | Confident | 78.8 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.6 | -172.5 | 173.4 | -152.3 | 0 | 0 | 111.7 | S127 C132 R133 I134 K422 | S127-E130 WeakPolarHBondContact O-CB 3.4Å; S127-E130 PolarHBondContact O-N 2.9Å; E130-C132 PolarHBondContact O-N 2.92Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 3.38Å; E130-I134 HydrophobicContact CG-CD1 3.93Å; E130-I134 VanDerWaalsContact O-CG1 3.29Å; E130-I134 WeakPolarHBondContact O-CG1 3.48Å; E130-I134 PolarHBondContact O-N 3.44Å; E130-K422 HydrophobicContact CG-CD 4.45Å; E130-K422 WeakPolarHBondContact OE1-CE 3.22Å; E130-K422 IonicContact OE1-NZ 2.65Å; E130-K422 PolarHBondContact OE1-NZ 2.91Å |
| 131 | A | 88.2 | Confident | 79.2 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L115 S127 R133 I134 F135 | L115-A131 HydrophobicContact CD2-CB 3.86Å; S127-A131 PolarHBondContact O-N 3.19Å; A131-R133 VanDerWaalsContact C-N 3.3Å; A131-R133 PolarHBondContact O-N 3.16Å; A131-I134 PolarHBondContact O-N 3.14Å; A131-F135 WeakPolarHBondContact O-CD2 3.14Å; A131-F135 PolarHBondContact O-N 3.15Å |
| 132 | C | 91.8 | Very high | 80 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 176.2 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | S128 D129 E130 F136 S182 K185 L186 L189 | S128-C132 PolarHBondContact O-N 3.12Å; S128-C132 PolarHBondContact O-SG 2.86Å; D129-C132 WeakPolarHBondContact O-CB 2.97Å; D129-C132 PolarHBondContact O-N 2.91Å; E130-C132 PolarHBondContact O-N 2.92Å; C132-F136 WeakPolarHBondContact O-CB 3.33Å; C132-F136 PolarHBondContact O-N 3.32Å; C132-S182 VanDerWaalsContact SG-CB 3.52Å; C132-K185 HydrophobicContact CB-CB 4.07Å; C132-L186 HydrophobicContact CB-CD2 4.14Å; C132-L186 HydrophobicContact CB-CG 4.2Å; C132-L186 WeakPolarHBondContact O-CD2 3.35Å; C132-L189 HydrophobicContact CB-CD1 4.47Å |
| 133 | R | 89.9 | Confident | 81.5 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.8 | -68.3 | 157.1 | -177.4 | -68.1 | -5 | 112.1 | E54 D129 E130 A131 F135 F136 S137 L189 | E54-R133 VanDerWaalsContact CD-CZ 3.42Å; E54-R133 VanDerWaalsContact CG-NH1 3.34Å; E54-R133 WeakPolarHBondContact OE1-CD 3.37Å; E54-R133 IonicContact OE1-CZ 3.58Å; E54-R133 VanDerWaalsContact OE1-CZ 3.22Å; E54-R133 IonicContact OE1-NE 2.7Å; E54-R133 PolarHBondContact OE1-NE 3Å; E54-R133 IonicContact OE1-NH1 2.78Å; E54-R133 PolarHBondContact OE1-NH1 2.81Å; E54-R133 IonicContact OE1-NH2 2.98Å; E54-R133 VanDerWaalsContact OE2-CD 3.26Å; E54-R133 WeakPolarHBondContact OE2-CD 3.38Å; E54-R133 IonicContact OE2-CZ 3.92Å; E54-R133 IonicContact OE2-NE 2.78Å; E54-R133 IonicContact OE2-NH1 2.76Å; E54-R133 PolarHBondContact OE2-NH1 2.7Å; D129-R133 WeakPolarHBondContact O-CD 3.26Å; D129-R133 WeakPolarHBondContact O-CG 3.3Å; D129-R133 PolarHBondContact O-N 3.35Å; D129-R133 IonicContact OD2-CZ 2.75Å; D129-R133 VanDerWaalsContact OD2-CZ 3.27Å; D129-R133 IonicContact OD2-NE 3.86Å; D129-R133 PolarHBondContact OD2-NE 3.27Å; D129-R133 IonicContact OD2-NH2 3.21Å; D129-R133 PolarHBondContact OD2-NH2 2.66Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 3.38Å; A131-R133 VanDerWaalsContact C-N 3.3Å; A131-R133 PolarHBondContact O-N 3.16Å; R133-F135 PolarHBondContact O-N 3.18Å; R133-F136 CarbonylContact O-C 3.56Å; R133-F136 WeakPolarHBondContact O-CA 3.41Å; R133-F136 WeakPolarHBondContact O-CB 3.48Å; R133-F136 PolarHBondContact O-N 3.26Å; R133-F136 VanDerWaalsContact O-N 3.09Å; R133-S137 PolarHBondContact O-N 2.94Å; R133-S137 PolarHBondContact O-OG 3.05Å; R133-L189 HydrophobicContact CG-CD1 4.34Å |
| 134 | I | 91.7 | Very high | 83 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.046 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | -178.6 | -69.5 | 171.3 | 0 | 0 | 0 | 111.9 | E130 A131 S137 G138 M415 E419 K422 L423 | E130-I134 HydrophobicContact CG-CD1 3.93Å; E130-I134 VanDerWaalsContact O-CG1 3.29Å; E130-I134 WeakPolarHBondContact O-CG1 3.48Å; E130-I134 PolarHBondContact O-N 3.44Å; A131-I134 PolarHBondContact O-N 3.14Å; I134-S137 PolarHBondContact O-OG 3.29Å; I134-G138 PolarHBondContact O-N 2.97Å; I134-M415 HydrophobicContact CG2-CE 3.52Å; I134-E419 HydrophobicContact CD1-CB 4.48Å; I134-E419 HydrophobicContact CG1-CB 4.28Å; I134-E419 HydrophobicContact CG1-CG 4.14Å; I134-E419 HydrophobicContact CG2-CB 4.32Å; I134-E419 WeakPolarHBondContact CG2-O 3.28Å; I134-K422 HydrophobicContact CD1-CB 3.63Å; I134-K422 HydrophobicContact CD1-CD 3.7Å; I134-K422 HydrophobicContact CD1-CG 4.31Å; I134-L423 HydrophobicContact CG2-CB 3.89Å; I134-L423 HydrophobicContact CG2-CD1 4.37Å |
| 135 | F | 93.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -67.6 | -36.8 | 171.4 | -85 | -80 | 0 | 0 | 0 | 111.8 | L104 V111 I114 L115 A131 R133 A139 F140 L423 | L104-F135 HydrophobicContact CD1-CE1 4.01Å; L104-F135 HydrophobicContact CD2-CE1 4.11Å; L104-F135 HydrophobicContact CG-CE1 4.49Å; V111-F135 HydrophobicContact CB-CD1 4.4Å; V111-F135 HydrophobicContact CB-CE1 4.43Å; V111-F135 HydrophobicContact CG1-CB 4.37Å; V111-F135 HydrophobicContact CG1-CD1 3.49Å; V111-F135 VanDerWaalsContact CG1-CD1 3.49Å; V111-F135 HydrophobicContact CG1-CE1 3.89Å; V111-F135 HydrophobicContact CG1-CG 3.95Å; V111-F135 HydrophobicContact CG2-CD1 4.09Å; V111-F135 HydrophobicContact CG2-CE1 3.98Å; I114-F135 HydrophobicContact CD1-CZ 4.19Å; I114-F135 HydrophobicContact CG2-CE2 4.12Å; I114-F135 HydrophobicContact CG2-CZ 4.09Å; L115-F135 HydrophobicContact CD2-CD2 3.79Å; L115-F135 HydrophobicContact CD2-CE2 4.25Å; L115-F135 HydrophobicContact CG-CD2 4.24Å; A131-F135 WeakPolarHBondContact O-CD2 3.14Å; A131-F135 PolarHBondContact O-N 3.15Å; R133-F135 PolarHBondContact O-N 3.18Å; F135-A139 HydrophobicContact CD1-CB 3.88Å; F135-A139 CarbonylContact O-C 3.56Å; F135-A139 WeakPolarHBondContact O-CA 3.28Å; F135-A139 VanDerWaalsContact O-CB 3.27Å; F135-A139 WeakPolarHBondContact O-CB 3.28Å; F135-A139 PolarHBondContact O-N 3.3Å; F135-F140 VanDerWaalsContact O-CD2 3.26Å; F135-F140 WeakPolarHBondContact O-CD2 3.09Å; F135-F140 PolarHBondContact O-N 3.33Å; F135-L423 HydrophobicContact CE1-CD1 4.45Å; F135-L423 HydrophobicContact CZ-CG 4.39Å |
| 136 | F | 93.6 | Very high | 86.3 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -69.1 | -46 | 178 | 177.2 | -99 | 0 | 0 | 0 | 113.5 | C132 R133 F140 G141 C142 C143 L152 L186 L189 | C132-F136 WeakPolarHBondContact O-CB 3.33Å; C132-F136 PolarHBondContact O-N 3.32Å; R133-F136 CarbonylContact O-C 3.56Å; R133-F136 WeakPolarHBondContact O-CA 3.41Å; R133-F136 WeakPolarHBondContact O-CB 3.48Å; R133-F136 PolarHBondContact O-N 3.26Å; R133-F136 VanDerWaalsContact O-N 3.09Å; F136-F140 CarbonylContact O-C 3.48Å; F136-G141 PolarHBondContact O-N 3.35Å; F136-C142 HydrophobicContact CE1-CB 4.01Å; F136-C142 HydrophobicContact CZ-CB 4.17Å; F136-C142 WeakPolarHBondContact CZ-O 3.4Å; F136-C142 PolarHBondContact O-N 2.97Å; F136-C143 HydrophobicContact CE2-CB 4.49Å; F136-L152 HydrophobicContact CD2-CD2 3.79Å; F136-L152 HydrophobicContact CE2-CD2 3.97Å; F136-L186 HydrophobicContact CB-CD2 4.07Å; F136-L189 HydrophobicContact CB-CD1 4.03Å; F136-L189 HydrophobicContact CD1-CB 4.28Å; F136-L189 HydrophobicContact CD1-CD1 4.38Å; F136-L189 HydrophobicContact CD1-CD2 4.4Å; F136-L189 HydrophobicContact CD2-CB 3.93Å; F136-L189 HydrophobicContact CE1-CB 4.35Å; F136-L189 HydrophobicContact CE2-CB 4.02Å; F136-L189 HydrophobicContact CG-CB 4.07Å; F136-L189 HydrophobicContact CG-CD1 4.1Å; F136-L189 HydrophobicContact CZ-CB 4.23Å |
| 137 | S | 91.5 | Very high | 87.7 | Confident | 10 Ų | 10 | 20 Ų | 20 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -71 | -59 | -177.8 | 61.1 | 0 | 0 | 0 | 0 | 112 | R133 I134 G141 E419 | R133-S137 PolarHBondContact O-N 2.94Å; R133-S137 PolarHBondContact O-OG 3.05Å; I134-S137 PolarHBondContact O-OG 3.29Å; S137-G141 VanDerWaalsContact O-CA 3.25Å; S137-G141 WeakPolarHBondContact O-CA 3.34Å; S137-G141 PolarHBondContact O-N 3.29Å; S137-E419 PolarHBondContact OG-OE1 2.86Å |
| 138 | G | 88.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -85.6 | -53.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | I134 R410 S413 | I134-G138 PolarHBondContact O-N 2.97Å; G138-R410 PolarHBondContact O-NH1 2.88Å; G138-R410 VanDerWaalsContact O-NH1 3.08Å; G138-S413 PolarHBondContact O-OG 3.44Å |
| 139 | A | 87.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -70.7 | -37.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L105 F135 R410 | L105-A139 WeakPolarHBondContact CD1-O 3.49Å; F135-A139 HydrophobicContact CD1-CB 3.88Å; F135-A139 CarbonylContact O-C 3.56Å; F135-A139 WeakPolarHBondContact O-CA 3.28Å; F135-A139 VanDerWaalsContact O-CB 3.27Å; F135-A139 WeakPolarHBondContact O-CB 3.28Å; F135-A139 PolarHBondContact O-N 3.3Å; A139-R410 PolarHBondContact O-NH2 3.28Å |
| 140 | F | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -111.4 | 14.9 | 178.6 | -57.4 | -60 | 0 | 0 | 0 | 115.3 | L105 V111 F135 F136 C142 C143 D148 C151 L152 A155 | L105-F140 HydrophobicContact CD1-CD1 4.29Å; V111-F140 HydrophobicContact CB-CZ 4.19Å; V111-F140 HydrophobicContact CG1-CE2 3.87Å; V111-F140 HydrophobicContact CG1-CZ 3.94Å; V111-F140 HydrophobicContact CG2-CZ 4.09Å; F135-F140 VanDerWaalsContact O-CD2 3.26Å; F135-F140 WeakPolarHBondContact O-CD2 3.09Å; F135-F140 PolarHBondContact O-N 3.33Å; F136-F140 CarbonylContact O-C 3.48Å; F140-C142 PolarHBondContact O-N 2.83Å; F140-C143 PolarHBondContact O-N 3.32Å; F140-D148 VanDerWaalsContact O-CB 3.23Å; F140-D148 WeakPolarHBondContact O-CB 3.37Å; F140-C151 HydrophobicContact CD1-CB 4.09Å; F140-C151 HydrophobicContact CE1-CB 3.76Å; F140-L152 HydrophobicContact CD1-CB 4.48Å; F140-L152 HydrophobicContact CD2-CB 4.35Å; F140-L152 HydrophobicContact CD2-CD1 3.89Å; F140-L152 HydrophobicContact CE2-CD1 3.89Å; F140-L152 HydrophobicContact CG-CB 4.26Å; F140-A155 HydrophobicContact CZ-CB 4.17Å |
| 141 | G | 89.1 | Confident | 89.9 | Confident | 9 Ų | 9 | 14.6 Ų | 14.6 | 9% | 0.093 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | 54.4 | 31.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F136 S137 C143 | F136-G141 PolarHBondContact O-N 3.35Å; S137-G141 VanDerWaalsContact O-CA 3.25Å; S137-G141 WeakPolarHBondContact O-CA 3.34Å; S137-G141 PolarHBondContact O-N 3.29Å; G141-C143 PolarHBondContact O-N 3.49Å; G141-C143 VanDerWaalsContact O-N 3.08Å |
| 142 | C | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | 59.3 | 12.5 | -173 | -50.2 | 0 | 0 | 0 | 0 | 115.3 | C46 F136 F140 Q144 S193 | C46-C142 HydrophobicContact CB-CB 4.4Å; F136-C142 HydrophobicContact CE1-CB 4.01Å; F136-C142 HydrophobicContact CZ-CB 4.17Å; F136-C142 WeakPolarHBondContact CZ-O 3.4Å; F136-C142 PolarHBondContact O-N 2.97Å; F140-C142 PolarHBondContact O-N 2.83Å; C142-Q144 VanDerWaalsContact C-N 3.33Å; C142-Q144 PolarHBondContact O-N 2.87Å; C142-S193 WeakPolarHBondContact O-CB 3.25Å; C142-S193 PolarHBondContact O-OG 2.83Å |
| 143 | C | 89.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 5% | 0.047 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | 57.7 | 34 | -176.4 | -66.3 | 0 | 0 | 0 | 0 | 115.4 | F136 F140 G141 L152 | F136-C143 HydrophobicContact CE2-CB 4.49Å; F140-C143 PolarHBondContact O-N 3.32Å; G141-C143 PolarHBondContact O-N 3.49Å; G141-C143 VanDerWaalsContact O-N 3.08Å; C143-L152 VanDerWaalsContact SG-CB 3.58Å; C143-L152 WeakPolarHBondContact SG-CD2 3.49Å |
| 144 | Q | 89.3 | Confident | 90.3 | Very high | 27 Ų | 27 | 15.6 Ų | 15.6 | 13% | 0.126 | 9% | 0.089 | C | C | . | . | trans | -78.4 | -26.3 | 172.5 | -64.5 | -65.4 | -17.4 | 0 | 0 | 112.8 | C142 M1231 V1235 | C142-Q144 VanDerWaalsContact C-N 3.33Å; C142-Q144 PolarHBondContact O-N 2.87Å; Q144-M1231 HydrophobicContact CB-CE 4.15Å; Q144-M1231 WeakPolarHBondContact O-CE 3.44Å; Q144-V1235 HydrophobicContact CG-CG2 4.34Å | ||
| 145 | F | 87.9 | Confident | 90.4 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 4% | 0.035 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -97 | 139.7 | 175.4 | -56.9 | -104.2 | 0 | 0 | 0 | 110.6 | L42 V43 G147 D148 E149 L408 R410 | L42-F145 HydrophobicContact CD2-CE1 4.32Å; L42-F145 HydrophobicContact CD2-CE2 4.12Å; L42-F145 HydrophobicContact CD2-CZ 3.74Å; V43-F145 HydrophobicContact CG2-CE2 4.3Å; V43-F145 HydrophobicContact CG2-CZ 4.38Å; F145-G147 PolarHBondContact O-N 3.26Å; F145-D148 WeakPolarHBondContact O-CB 3.45Å; F145-D148 PolarHBondContact O-N 3.1Å; F145-E149 PolarHBondContact O-N 3.32Å; F145-E149 VanDerWaalsContact O-N 3.09Å; F145-L408 HydrophobicContact CD1-CD2 4.15Å; F145-L408 HydrophobicContact CD1-CG 4.43Å; F145-L408 HydrophobicContact CE1-CD2 3.69Å; F145-L408 HydrophobicContact CE1-CG 4.1Å; F145-R410 HydrophobicContact CB-CB 4.32Å; F145-R410 HydrophobicContact CD1-CB 3.99Å; F145-R410 HydrophobicContact CD2-CB 3.67Å; F145-R410 HydrophobicContact CD2-CG 4.02Å; F145-R410 HydrophobicContact CE1-CB 4.14Å; F145-R410 HydrophobicContact CE2-CB 3.85Å; F145-R410 HydrophobicContact CE2-CG 3.82Å; F145-R410 HydrophobicContact CG-CB 3.75Å; F145-R410 HydrophobicContact CZ-CB 4.08Å; F145-R410 HydrophobicContact CZ-CG 4.19Å |
| 146 | L | 85 | Confident | 90.5 | Very high | 70 Ų | 70 | 15.1 Ų | 15.1 | 37% | 0.366 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -60.2 | -30.4 | -175.1 | -64 | 172.4 | 0 | 0 | 0 | 113.9 | E149 K150 Y402 K407 | L146-E149 PolarHBondContact O-N 3.14Å; L146-K150 PolarHBondContact O-N 3.19Å; L146-Y402 HydrophobicContact CB-CD1 4.27Å; L146-Y402 HydrophobicContact CD2-CD1 4.3Å; L146-Y402 HydrophobicContact CD2-CE1 4.41Å; L146-K407 HydrophobicContact CD1-CD 4.04Å |
| 147 | G | 85.2 | Confident | 90.4 | Very high | 30 Ų | 30 | 15 Ų | 15 | 31% | 0.309 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F145 K150 C151 | F145-G147 PolarHBondContact O-N 3.26Å; G147-K150 PolarHBondContact O-N 3.05Å; G147-C151 PolarHBondContact O-N 3.04Å; G147-C151 PolarHBondContact O-SG 3.12Å |
| 148 | D | 89.7 | Confident | 90.4 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 3% | 0.032 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | 175.7 | -63.1 | -46.1 | 0 | 0 | 0 | 111.4 | L105 F140 F145 K150 C151 L152 R410 | L105-D148 WeakPolarHBondContact CD1-OD1 3.33Å; F140-D148 VanDerWaalsContact O-CB 3.23Å; F140-D148 WeakPolarHBondContact O-CB 3.37Å; F145-D148 WeakPolarHBondContact O-CB 3.45Å; F145-D148 PolarHBondContact O-N 3.1Å; D148-K150 VanDerWaalsContact C-N 3.35Å; D148-K150 PolarHBondContact O-N 3.47Å; D148-C151 PolarHBondContact O-N 3.49Å; D148-L152 PolarHBondContact O-N 3.03Å; D148-R410 IonicContact OD1-CZ 2.99Å; D148-R410 IonicContact OD1-NE 2.83Å; D148-R410 PolarHBondContact OD1-NE 3.31Å; D148-R410 IonicContact OD1-NH2 2.86Å; D148-R410 PolarHBondContact OD1-NH2 3.42Å; D148-R410 WeakPolarHBondContact OD2-CD 3.44Å; D148-R410 IonicContact OD2-CZ 2.68Å; D148-R410 IonicContact OD2-NE 3.58Å; D148-R410 PolarHBondContact OD2-NE 2.91Å; D148-R410 IonicContact OD2-NH2 2.67Å |
| 149 | E | 90.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 15.4 Ų | 15.4 | 8% | 0.084 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 175.4 | -165.7 | -168.1 | 161.7 | 0 | 0 | 111 | F145 L146 C151 L152 V153 L194 S284 Y402 | F145-E149 PolarHBondContact O-N 3.32Å; F145-E149 VanDerWaalsContact O-N 3.09Å; L146-E149 PolarHBondContact O-N 3.14Å; E149-C151 PolarHBondContact O-N 2.85Å; E149-L152 PolarHBondContact O-N 3.48Å; E149-V153 HydrophobicContact CG-CG2 4.39Å; E149-V153 WeakPolarHBondContact O-CB 3.25Å; E149-V153 VanDerWaalsContact O-CG2 3.23Å; E149-V153 WeakPolarHBondContact O-CG2 3.35Å; E149-V153 PolarHBondContact O-N 2.91Å; E149-L194 VanDerWaalsContact CD-CD2 3.48Å; E149-L194 HydrophobicContact CG-CD2 3.9Å; E149-L194 WeakPolarHBondContact OE1-CD2 3.48Å; E149-S284 WeakPolarHBondContact OE1-CB 3.26Å; E149-S284 PolarHBondContact OE1-OG 2.87Å; E149-Y402 HydrophobicContact CB-CE1 4.26Å; E149-Y402 HydrophobicContact CG-CE1 4.25Å; E149-Y402 WeakPolarHBondContact CG-OH 3.24Å; E149-Y402 PolarHBondContact OE1-OH 3.2Å; E149-Y402 VanDerWaalsContact OE1-OH 3.05Å |
| 150 | K | 90.2 | Very high | 90.6 | Very high | 38 Ų | 38 | 15.4 Ų | 15.4 | 17% | 0.165 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.3 | -52.9 | 174.7 | -174.7 | -174 | 177.8 | -173.3 | 0 | 111.1 | L146 G147 D148 L152 V153 E154 L398 E399 Y402 | L146-K150 PolarHBondContact O-N 3.19Å; G147-K150 PolarHBondContact O-N 3.05Å; D148-K150 VanDerWaalsContact C-N 3.35Å; D148-K150 PolarHBondContact O-N 3.47Å; K150-L152 PolarHBondContact O-N 2.9Å; K150-V153 PolarHBondContact O-N 3.4Å; K150-E154 VanDerWaalsContact CE-OE1 3.24Å; K150-E154 WeakPolarHBondContact CE-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.46Å; K150-E154 PolarHBondContact O-N 3.15Å; K150-L398 HydrophobicContact CG-CD2 4.03Å; K150-L398 HydrophobicContact CG-CG 4.38Å; K150-E399 IonicContact NZ-OE1 3.6Å; K150-E399 PolarHBondContact NZ-OE1 3.24Å; K150-Y402 HydrophobicContact CB-CD2 3.72Å; K150-Y402 HydrophobicContact CB-CE2 3.79Å; K150-Y402 HydrophobicContact CB-CG 4.29Å; K150-Y402 HydrophobicContact CD-CD2 4.31Å; K150-Y402 HydrophobicContact CG-CD2 3.84Å; K150-Y402 HydrophobicContact CG-CE2 4.08Å |
| 151 | C | 90.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 21 Ų | 21 | 14% | 0.135 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | -177.1 | -65 | 0 | 0 | 0 | 0 | 112.8 | L105 S108 F140 G147 D148 E149 E154 A155 | L105-C151 PolarHBondContact O-SG 2.59Å; S108-C151 WeakPolarHBondContact CB-O 3.45Å; S108-C151 PolarHBondContact OG-O 3.28Å; F140-C151 HydrophobicContact CD1-CB 4.09Å; F140-C151 HydrophobicContact CE1-CB 3.76Å; G147-C151 PolarHBondContact O-N 3.04Å; G147-C151 PolarHBondContact O-SG 3.12Å; D148-C151 PolarHBondContact O-N 3.49Å; E149-C151 PolarHBondContact O-N 2.85Å; C151-E154 PolarHBondContact O-N 3.03Å; C151-A155 WeakPolarHBondContact O-CB 3.38Å; C151-A155 PolarHBondContact O-N 3.25Å |
| 152 | L | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.9 | -39.6 | 175 | -178.7 | 57.7 | 0 | 0 | 0 | 112.1 | F136 F140 C143 D148 E149 K150 E154 A155 L156 L186 L190 | F136-L152 HydrophobicContact CD2-CD2 3.79Å; F136-L152 HydrophobicContact CE2-CD2 3.97Å; F140-L152 HydrophobicContact CD1-CB 4.48Å; F140-L152 HydrophobicContact CD2-CB 4.35Å; F140-L152 HydrophobicContact CD2-CD1 3.89Å; F140-L152 HydrophobicContact CE2-CD1 3.89Å; F140-L152 HydrophobicContact CG-CB 4.26Å; C143-L152 VanDerWaalsContact SG-CB 3.58Å; C143-L152 WeakPolarHBondContact SG-CD2 3.49Å; D148-L152 PolarHBondContact O-N 3.03Å; E149-L152 PolarHBondContact O-N 3.48Å; K150-L152 PolarHBondContact O-N 2.9Å; L152-E154 VanDerWaalsContact C-N 3.33Å; L152-E154 PolarHBondContact O-N 3.26Å; L152-A155 PolarHBondContact O-N 2.96Å; L152-L156 HydrophobicContact CD1-CG 4.43Å; L152-L156 HydrophobicContact CG-CD1 4.28Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 WeakPolarHBondContact O-CG 3.37Å; L152-L156 PolarHBondContact O-N 3.34Å; L152-L186 HydrophobicContact CD1-CB 4.28Å; L152-L186 HydrophobicContact CD1-CD1 3.88Å; L152-L186 HydrophobicContact CD1-CD2 4.03Å; L152-L186 HydrophobicContact CD1-CG 4.3Å; L152-L190 HydrophobicContact CD2-CB 4.21Å; L152-L190 HydrophobicContact CD2-CD1 4.04Å |
| 153 | V | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | E149 K150 S157 L190 W287 L288 L398 | E149-V153 HydrophobicContact CG-CG2 4.39Å; E149-V153 WeakPolarHBondContact O-CB 3.25Å; E149-V153 VanDerWaalsContact O-CG2 3.23Å; E149-V153 WeakPolarHBondContact O-CG2 3.35Å; E149-V153 PolarHBondContact O-N 2.91Å; K150-V153 PolarHBondContact O-N 3.4Å; V153-S157 WeakPolarHBondContact O-CB 3.26Å; V153-S157 PolarHBondContact O-N 3.33Å; V153-L190 HydrophobicContact CG2-CD2 4.19Å; V153-W287 HydrophobicContact CG1-CE3 3.76Å; V153-W287 HydrophobicContact CG1-CZ3 3.69Å; V153-L288 HydrophobicContact CG1-CD1 4.07Å; V153-L288 HydrophobicContact CG1-CG 4.08Å; V153-L288 HydrophobicContact CG2-CD1 4.21Å; V153-L398 HydrophobicContact CG1-CD1 3.88Å; V153-L398 HydrophobicContact CG1-CD2 4.26Å |
| 154 | E | 92 | Very high | 89.4 | Confident | 62 Ų | 62 | 22.9 Ų | 22.9 | 29% | 0.29 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 170.5 | -72.6 | 177.2 | -177.9 | 0 | 0 | 112.9 | S108 K150 C151 L152 S157 C158 L398 | S108-E154 VanDerWaalsContact CB-CB 3.47Å; S108-E154 WeakPolarHBondContact CB-OE2 3.39Å; S108-E154 PolarHBondContact OG-OE2 3.3Å; K150-E154 VanDerWaalsContact CE-OE1 3.24Å; K150-E154 WeakPolarHBondContact CE-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.46Å; K150-E154 PolarHBondContact O-N 3.15Å; C151-E154 PolarHBondContact O-N 3.03Å; L152-E154 VanDerWaalsContact C-N 3.33Å; L152-E154 PolarHBondContact O-N 3.26Å; E154-S157 WeakPolarHBondContact O-CB 3.49Å; E154-S157 PolarHBondContact O-N 3.22Å; E154-C158 WeakPolarHBondContact O-CB 3.31Å; E154-C158 PolarHBondContact O-N 3.33Å; E154-C158 PolarHBondContact O-SG 3.5Å; E154-L398 HydrophobicContact CG-CD2 3.53Å |
| 155 | A | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S108 F140 C151 L152 C158 L159 | S108-A155 WeakPolarHBondContact O-CA 3.49Å; S108-A155 WeakPolarHBondContact O-CB 3.48Å; F140-A155 HydrophobicContact CZ-CB 4.17Å; C151-A155 WeakPolarHBondContact O-CB 3.38Å; C151-A155 PolarHBondContact O-N 3.25Å; L152-A155 PolarHBondContact O-N 2.96Å; A155-C158 WeakPolarHBondContact O-CB 3.29Å; A155-C158 PolarHBondContact O-N 3.24Å; A155-L159 WeakPolarHBondContact O-CG 3.39Å; A155-L159 PolarHBondContact O-N 3.47Å |
| 156 | L | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 171 | -77.8 | 167.9 | 0 | 0 | 0 | 111.7 | L152 C158 L159 M160 F183 L186 L190 L288 | L152-L156 HydrophobicContact CD1-CG 4.43Å; L152-L156 HydrophobicContact CG-CD1 4.28Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 WeakPolarHBondContact O-CG 3.37Å; L152-L156 PolarHBondContact O-N 3.34Å; L156-C158 VanDerWaalsContact C-N 3.27Å; L156-C158 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 2.97Å; L156-L159 VanDerWaalsContact O-N 3.1Å; L156-M160 VanDerWaalsContact O-CG 3.24Å; L156-M160 WeakPolarHBondContact O-CG 3.42Å; L156-M160 PolarHBondContact O-N 2.88Å; L156-M160 VanDerWaalsContact O-SD 3.33Å; L156-F183 HydrophobicContact CD2-CD2 3.66Å; L156-F183 HydrophobicContact CD2-CE2 3.97Å; L156-L186 HydrophobicContact CD2-CB 3.69Å; L156-L186 HydrophobicContact CG-CB 4.36Å; L156-L190 HydrophobicContact CD1-CB 4.39Å; L156-L190 HydrophobicContact CD1-CD2 3.61Å; L156-L288 HydrophobicContact CB-CD1 4.49Å; L156-L288 HydrophobicContact CB-CD2 4.1Å; L156-L288 HydrophobicContact CD1-CD1 4.18Å |
| 157 | S | 92.2 | Very high | 87.1 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.7 | -42.9 | 174 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | V153 E154 M160 R161 | V153-S157 WeakPolarHBondContact O-CB 3.26Å; V153-S157 PolarHBondContact O-N 3.33Å; E154-S157 WeakPolarHBondContact O-CB 3.49Å; E154-S157 PolarHBondContact O-N 3.22Å; S157-M160 PolarHBondContact O-N 3.08Å; S157-R161 WeakPolarHBondContact O-CG 3.37Å; S157-R161 PolarHBondContact O-N 3.43Å |
| 158 | C | 91.8 | Very high | 85.6 | Confident | 19 Ų | 19 | 29.6 Ų | 29.6 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 174.3 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | R109 A112 E154 A155 L156 M160 R161 L162 | R109-C158 HydrophobicContact CG-CB 4.47Å; A112-C158 HydrophobicContact CB-CB 3.42Å; A112-C158 VanDerWaalsContact CB-CB 3.42Å; E154-C158 WeakPolarHBondContact O-CB 3.31Å; E154-C158 PolarHBondContact O-N 3.33Å; E154-C158 PolarHBondContact O-SG 3.5Å; A155-C158 WeakPolarHBondContact O-CB 3.29Å; A155-C158 PolarHBondContact O-N 3.24Å; L156-C158 VanDerWaalsContact C-N 3.27Å; L156-C158 PolarHBondContact O-N 2.97Å; C158-M160 VanDerWaalsContact C-N 3.32Å; C158-M160 PolarHBondContact O-N 2.65Å; C158-R161 WeakPolarHBondContact O-CB 3.5Å; C158-R161 PolarHBondContact O-N 3.45Å; C158-L162 WeakPolarHBondContact O-CG 3.32Å; C158-L162 PolarHBondContact O-N 2.77Å; C158-L162 VanDerWaalsContact O-N 3.11Å |
| 159 | L | 91.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.4 | -76.3 | 168.7 | 0 | 0 | 0 | 112 | A112 L115 H116 A155 L156 R161 L162 Q163 F183 L186 | A112-L159 HydrophobicContact CB-CD2 4.13Å; A112-L159 HydrophobicContact CB-CG 3.81Å; A112-L159 VanDerWaalsContact O-CD2 3.24Å; A112-L159 WeakPolarHBondContact O-CD2 3.35Å; L115-L159 HydrophobicContact CB-CD2 4.38Å; H116-L159 HydrophobicContact CB-CD2 4.27Å; A155-L159 WeakPolarHBondContact O-CG 3.39Å; A155-L159 PolarHBondContact O-N 3.47Å; L156-L159 PolarHBondContact O-N 2.97Å; L156-L159 VanDerWaalsContact O-N 3.1Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 3.4Å; L159-L162 PolarHBondContact O-N 3.49Å; L159-Q163 HydrophobicContact CD2-CG 4.35Å; L159-Q163 VanDerWaalsContact O-CB 3.29Å; L159-Q163 WeakPolarHBondContact O-CB 3.23Å; L159-Q163 WeakPolarHBondContact O-CG 3.21Å; L159-Q163 PolarHBondContact O-N 3.25Å; L159-F183 HydrophobicContact CB-CB 4.14Å; L159-L186 HydrophobicContact CD1-CD1 3.81Å |
| 160 | M | 89 | Confident | 82.2 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -63.7 | -38.2 | 174.3 | -63.5 | 147.9 | 73 | 0 | 0 | 111.6 | L156 S157 C158 L164 V165 F183 L288 L292 | L156-M160 VanDerWaalsContact O-CG 3.24Å; L156-M160 WeakPolarHBondContact O-CG 3.42Å; L156-M160 PolarHBondContact O-N 2.88Å; L156-M160 VanDerWaalsContact O-SD 3.33Å; S157-M160 PolarHBondContact O-N 3.08Å; C158-M160 VanDerWaalsContact C-N 3.32Å; C158-M160 PolarHBondContact O-N 2.65Å; M160-L164 HydrophobicContact CB-CD1 4.2Å; M160-L164 HydrophobicContact CG-CD1 4.06Å; M160-L164 WeakPolarHBondContact O-CB 3.45Å; M160-L164 PolarHBondContact O-N 3.5Å; M160-L164 VanDerWaalsContact O-N 3.13Å; M160-V165 PolarHBondContact O-N 2.95Å; M160-V165 VanDerWaalsContact O-N 3.12Å; M160-F183 HydrophobicContact CG-CD2 3.48Å; M160-F183 VanDerWaalsContact CG-CD2 3.48Å; M160-F183 HydrophobicContact CG-CE2 3.28Å; M160-F183 HydrophobicContact CG-CG 4.23Å; M160-F183 HydrophobicContact CG-CZ 3.87Å; M160-F183 HydrophobicContact SD-CD2 4.24Å; M160-F183 HydrophobicContact SD-CE2 3.58Å; M160-F183 VanDerWaalsContact SD-CE2 3.58Å; M160-F183 HydrophobicContact SD-CZ 4.24Å; M160-L288 HydrophobicContact CE-CD2 3.98Å; M160-L288 HydrophobicContact SD-CD2 3.36Å; M160-L288 WeakPolarHBondContact SD-CD2 3.18Å; M160-L292 HydrophobicContact CE-CB 3.47Å; M160-L292 VanDerWaalsContact CE-CB 3.47Å; M160-L292 HydrophobicContact CE-CD1 3.78Å; M160-L292 HydrophobicContact CE-CD2 4.49Å; M160-L292 HydrophobicContact CE-CG 4.08Å |
| 161 | R | 86.2 | Confident | 81.1 | Confident | 117 Ų | 117 | 45.1 Ų | 45.1 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -62.2 | -45.6 | 175 | -43.3 | -137.9 | 160 | 121 | -1.8 | 111 | S157 C158 L159 S166 M295 | S157-R161 WeakPolarHBondContact O-CG 3.37Å; S157-R161 PolarHBondContact O-N 3.43Å; C158-R161 WeakPolarHBondContact O-CB 3.5Å; C158-R161 PolarHBondContact O-N 3.45Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 3.4Å; R161-S166 PolarHBondContact O-N 2.9Å; R161-S166 PolarHBondContact O-OG 2.63Å; R161-M295 HydrophobicContact CB-CE 3.77Å; R161-M295 HydrophobicContact CG-CE 3.47Å; R161-M295 VanDerWaalsContact CG-CE 3.47Å; R161-M295 HydrophobicContact CG-SD 3.69Å; R161-M295 PolarHBondContact NE-SD 3.49Å |
| 162 | L | 85.1 | Confident | 80.3 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -76.1 | -47 | -175.4 | -67.2 | 172.2 | 0 | 0 | 0 | 113.3 | A112 H116 C158 L159 S166 | A112-L162 HydrophobicContact CB-CD1 4.35Å; H116-L162 HydrophobicContact CB-CB 4.49Å; H116-L162 HydrophobicContact CB-CD1 4.13Å; C158-L162 WeakPolarHBondContact O-CG 3.32Å; C158-L162 PolarHBondContact O-N 2.77Å; C158-L162 VanDerWaalsContact O-N 3.11Å; L159-L162 PolarHBondContact O-N 3.49Å; L162-S166 WeakPolarHBondContact O-CB 3.2Å |
| 163 | Q | 85.1 | Confident | 79.4 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -92.2 | -38.9 | -169.6 | -57.4 | -165.1 | -18.4 | 0 | 0 | 113 | D119 L159 N167 F183 | D119-Q163 PolarHBondContact OD2-NE2 3.18Å; L159-Q163 HydrophobicContact CD2-CG 4.35Å; L159-Q163 VanDerWaalsContact O-CB 3.29Å; L159-Q163 WeakPolarHBondContact O-CB 3.23Å; L159-Q163 WeakPolarHBondContact O-CG 3.21Å; L159-Q163 PolarHBondContact O-N 3.25Å; Q163-N167 PolarHBondContact O-ND2 2.84Å; Q163-F183 VanDerWaalsContact OE1-N 3.1Å |
| 164 | L | 79.4 | Confident | 78.4 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -92.9 | -56.8 | -174.6 | -56.7 | 179.4 | 0 | 0 | 0 | 111.4 | M160 L172 L176 F183 L292 | M160-L164 HydrophobicContact CB-CD1 4.2Å; M160-L164 HydrophobicContact CG-CD1 4.06Å; M160-L164 WeakPolarHBondContact O-CB 3.45Å; M160-L164 PolarHBondContact O-N 3.5Å; M160-L164 VanDerWaalsContact O-N 3.13Å; L164-L172 HydrophobicContact CB-CD1 4.01Å; L164-L172 HydrophobicContact CD2-CD1 4.29Å; L164-L172 HydrophobicContact CD2-CG 4.35Å; L164-L172 WeakPolarHBondContact O-CD1 3.3Å; L164-L176 HydrophobicContact CD2-CD2 4.23Å; L164-F183 HydrophobicContact CD1-CD1 4.04Å; L164-F183 HydrophobicContact CD1-CE1 4.01Å; L164-L292 HydrophobicContact CD1-CD1 3.86Å |
| 165 | V | 76.8 | Confident | 77.4 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.127 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -75.8 | -37.4 | -173.5 | 169.7 | 0 | 0 | 0 | 0 | 113.5 | M160 N167 M295 L296 A299 A300 | M160-V165 PolarHBondContact O-N 2.95Å; M160-V165 VanDerWaalsContact O-N 3.12Å; V165-N167 VanDerWaalsContact C-N 3.27Å; V165-N167 PolarHBondContact O-N 2.89Å; V165-M295 HydrophobicContact CB-CE 4.03Å; V165-M295 HydrophobicContact CG1-CE 4.37Å; V165-M295 HydrophobicContact CG2-CB 4.13Å; V165-M295 HydrophobicContact CG2-CE 3.61Å; V165-L296 HydrophobicContact CG2-CD2 4.2Å; V165-A299 HydrophobicContact CG1-CB 3.78Å; V165-A300 HydrophobicContact CG1-CB 4.25Å; V165-A300 HydrophobicContact CG2-CB 4.35Å |
| 166 | S | 72.9 | Confident | 76.5 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 57% | 0.566 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -70.8 | -23.3 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 113 | R161 L162 S168 | R161-S166 PolarHBondContact O-N 2.9Å; R161-S166 PolarHBondContact O-OG 2.63Å; L162-S166 WeakPolarHBondContact O-CB 3.2Å; S166-S168 VanDerWaalsContact C-N 3.3Å; S166-S168 PolarHBondContact O-N 2.63Å |
| 167 | N | 65.1 | Low | 75.5 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | trans | -90.7 | 52.9 | 178 | -71.1 | -53.7 | 0 | 0 | 0 | 112 | Q163 V165 Q169 L170 | Q163-N167 PolarHBondContact O-ND2 2.84Å; V165-N167 VanDerWaalsContact C-N 3.27Å; V165-N167 PolarHBondContact O-N 2.89Å; N167-Q169 PolarHBondContact O-N 3.45Å; N167-L170 HydrophobicContact CB-CB 4.08Å; N167-L170 WeakPolarHBondContact O-CB 3.43Å; N167-L170 PolarHBondContact O-N 2.79Å | ||
| 168 | S | 53.2 | Low | 74.6 | Confident | 100 Ų | 100 | 66.2 Ų | 66.2 | 70% | 0.699 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -6.3 | -172.7 | 59.5 | 0 | 0 | 0 | 0 | 116.5 | S166 | S166-S168 VanDerWaalsContact C-N 3.3Å; S166-S168 PolarHBondContact O-N 2.63Å |
| 169 | Q | 52.7 | Low | 73.6 | Confident | 197 Ų | 197 | 66.3 Ų | 66.3 | 92% | 0.921 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -7.1 | 171.9 | -66.7 | -171.9 | -35.1 | 0 | 0 | 113.9 | N167 | N167-Q169 PolarHBondContact O-N 3.45Š|
| 170 | L | 57 | Low | 72.7 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -98.3 | 127.5 | -174 | -149.8 | 72.6 | 0 | 0 | 0 | 110.6 | N167 L172 T175 | N167-L170 HydrophobicContact CB-CB 4.08Å; N167-L170 WeakPolarHBondContact O-CB 3.43Å; N167-L170 PolarHBondContact O-N 2.79Å; L170-L172 PolarHBondContact O-N 2.78Å; L170-T175 WeakPolarHBondContact CD2-OG1 3.5Å |
| 171 | D | 66.6 | Low | 72.3 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | trans | -53.5 | 106.7 | 175 | 175.1 | -2.8 | 0 | 0 | 0 | 110.3 | R173 R174 T175 | D171-R173 PolarHBondContact O-N 3.45Å; D171-R174 HydrophobicContact CB-CB 3.89Å; D171-R174 VanDerWaalsContact CG-CB 3.43Å; D171-R174 WeakPolarHBondContact O-CB 3.27Å; D171-R174 PolarHBondContact O-N 3.17Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 PolarHBondContact OD1-N 3.21Å; D171-R174 WeakPolarHBondContact OD2-CB 3.48Å; D171-T175 PolarHBondContact O-N 2.82Å; D171-T175 PolarHBondContact O-OG1 3.32Å; D171-T175 VanDerWaalsContact O-OG1 3.08Å | ||
| 172 | L | 73.6 | Confident | 72.5 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | -165.8 | -149.3 | 86.7 | 0 | 0 | 0 | 111.4 | L164 L170 R174 T175 L176 L296 V310 | L164-L172 HydrophobicContact CB-CD1 4.01Å; L164-L172 HydrophobicContact CD2-CD1 4.29Å; L164-L172 HydrophobicContact CD2-CG 4.35Å; L164-L172 WeakPolarHBondContact O-CD1 3.3Å; L170-L172 PolarHBondContact O-N 2.78Å; L172-R174 VanDerWaalsContact C-N 3.26Å; L172-R174 PolarHBondContact O-N 2.88Å; L172-T175 WeakPolarHBondContact O-CA 3.33Å; L172-T175 WeakPolarHBondContact O-CB 3.45Å; L172-T175 PolarHBondContact O-N 3.15Å; L172-L176 PolarHBondContact O-N 3.1Å; L172-L296 HydrophobicContact CD2-CD1 4.09Å; L172-L296 HydrophobicContact CD2-CD2 3.64Å; L172-V310 HydrophobicContact CD2-CG1 3.93Å; L172-V310 HydrophobicContact CD2-CG2 3.92Å |
| 173 | R | 75.8 | Confident | 72.8 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 174.2 | -60.1 | 179 | 70.5 | -168.5 | 6.7 | 110.1 | D171 T175 L176 R177 V310 E313 V358 D362 | D171-R173 PolarHBondContact O-N 3.45Å; R173-T175 VanDerWaalsContact C-N 3.28Å; R173-T175 PolarHBondContact O-N 3.16Å; R173-L176 PolarHBondContact O-N 3.2Å; R173-R177 VanDerWaalsContact O-CB 3.23Å; R173-R177 WeakPolarHBondContact O-CB 3.48Å; R173-R177 WeakPolarHBondContact O-CG 3.48Å; R173-R177 PolarHBondContact O-N 2.98Å; R173-V310 HydrophobicContact CG-CG2 4.41Å; R173-E313 IonicContact CZ-OE1 3.54Å; R173-E313 IonicContact NE-OE1 2.95Å; R173-E313 PolarHBondContact NE-OE1 3.46Å; R173-E313 IonicContact NE-OE2 3.47Å; R173-E313 PolarHBondContact NE-OE2 3.21Å; R173-E313 IonicContact NH2-OE1 3.24Å; R173-E313 PolarHBondContact NH2-OE1 2.72Å; R173-V358 VanDerWaalsContact NH2-CG1 3.32Å; R173-D362 IonicContact CZ-OD1 3.52Å; R173-D362 IonicContact CZ-OD2 2.79Å; R173-D362 IonicContact NH1-OD1 2.88Å; R173-D362 PolarHBondContact NH1-OD1 3.38Å; R173-D362 IonicContact NH1-OD2 3.27Å; R173-D362 PolarHBondContact NH1-OD2 3.5Å; R173-D362 IonicContact NH2-OD1 3.97Å; R173-D362 IonicContact NH2-OD2 3.61Å; R173-D362 PolarHBondContact NH2-OD2 3.2Å |
| 174 | R | 71.3 | Confident | 72.9 | Confident | 160 Ų | 160 | 68.8 Ų | 68.8 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.9 | -20.8 | 176.6 | -164.6 | 175.4 | -170 | -170.3 | 5.1 | 114.1 | D171 L172 K178 | D171-R174 HydrophobicContact CB-CB 3.89Å; D171-R174 VanDerWaalsContact CG-CB 3.43Å; D171-R174 WeakPolarHBondContact O-CB 3.27Å; D171-R174 PolarHBondContact O-N 3.17Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 PolarHBondContact OD1-N 3.21Å; D171-R174 WeakPolarHBondContact OD2-CB 3.48Å; L172-R174 VanDerWaalsContact C-N 3.26Å; L172-R174 PolarHBondContact O-N 2.88Å; R174-K178 WeakPolarHBondContact O-CD 3.38Å; R174-K178 VanDerWaalsContact O-CG 3.26Å; R174-K178 WeakPolarHBondContact O-CG 3.35Å; R174-K178 PolarHBondContact O-N 2.95Å |
| 175 | T | 70.9 | Confident | 73.3 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 20% | 0.202 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.6 | -48.6 | 173 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | L170 D171 L172 R173 K178 | L170-T175 WeakPolarHBondContact CD2-OG1 3.5Å; D171-T175 PolarHBondContact O-N 2.82Å; D171-T175 PolarHBondContact O-OG1 3.32Å; D171-T175 VanDerWaalsContact O-OG1 3.08Å; L172-T175 WeakPolarHBondContact O-CA 3.33Å; L172-T175 WeakPolarHBondContact O-CB 3.45Å; L172-T175 PolarHBondContact O-N 3.15Å; R173-T175 VanDerWaalsContact C-N 3.28Å; R173-T175 PolarHBondContact O-N 3.16Å; T175-K178 PolarHBondContact O-N 3.48Å |
| 176 | L | 76.6 | Confident | 74.1 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.7 | -63 | 173.3 | 0 | 0 | 0 | 111.5 | L164 L172 R173 K178 G179 F183 V310 L314 Y318 | L164-L176 HydrophobicContact CD2-CD2 4.23Å; L172-L176 PolarHBondContact O-N 3.1Å; R173-L176 PolarHBondContact O-N 3.2Å; L176-K178 PolarHBondContact O-N 3.4Å; L176-K178 VanDerWaalsContact O-N 3.12Å; L176-G179 WeakPolarHBondContact O-CA 3.49Å; L176-G179 PolarHBondContact O-N 2.82Å; L176-F183 HydrophobicContact CD2-CD1 4.2Å; L176-F183 HydrophobicContact CD2-CE1 3.98Å; L176-V310 HydrophobicContact CD1-CG1 4.01Å; L176-L314 HydrophobicContact CD2-CD1 4.36Å; L176-Y318 HydrophobicContact CB-CE2 3.96Å; L176-Y318 WeakPolarHBondContact O-CE1 3.45Å; L176-Y318 PolarHBondContact O-OH 3.18Å |
| 177 | R | 72.6 | Confident | 75.1 | Confident | 135 Ų | 135 | 65 Ų | 65 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18 | -179.3 | -72.3 | 173.4 | 178.7 | -154.3 | -4.8 | 114 | R173 E313 Y318 D362 | R173-R177 VanDerWaalsContact O-CB 3.23Å; R173-R177 WeakPolarHBondContact O-CB 3.48Å; R173-R177 WeakPolarHBondContact O-CG 3.48Å; R173-R177 PolarHBondContact O-N 2.98Å; R177-E313 IonicContact CZ-OE1 3.22Å; R177-E313 IonicContact NE-OE1 2.77Å; R177-E313 PolarHBondContact NE-OE1 2.81Å; R177-E313 IonicContact NE-OE2 3.81Å; R177-E313 IonicContact NH2-OE1 3.69Å; R177-E313 PolarHBondContact NH2-OE1 2.85Å; R177-Y318 WeakPolarHBondContact CA-OH 3.32Å; R177-Y318 VanDerWaalsContact CG-OH 3.25Å; R177-Y318 WeakPolarHBondContact CG-OH 3.45Å; R177-Y318 PolarHBondContact N-OH 3.09Å; R177-D362 IonicContact NH2-OD2 3.22Å |
| 178 | K | 72.8 | Confident | 76.2 | Confident | 128 Ų | 128 | 64.7 Ų | 64.7 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.7 | 170 | -80.2 | 172.2 | -179.6 | 178.1 | 0 | 112.7 | R174 T175 L176 R180 | R174-K178 WeakPolarHBondContact O-CD 3.38Å; R174-K178 VanDerWaalsContact O-CG 3.26Å; R174-K178 WeakPolarHBondContact O-CG 3.35Å; R174-K178 PolarHBondContact O-N 2.95Å; T175-K178 PolarHBondContact O-N 3.48Å; L176-K178 PolarHBondContact O-N 3.4Å; L176-K178 VanDerWaalsContact O-N 3.12Å; K178-R180 HydrophobicContact CB-CG 4.32Å; K178-R180 WeakPolarHBondContact O-CG 3.42Å; K178-R180 PolarHBondContact O-N 3.39Å |
| 179 | G | 72.6 | Confident | 78 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | trans | 62.3 | 9 | -180 | 0 | 0 | 0 | 0 | 0 | 116.1 | L176 | L176-G179 WeakPolarHBondContact O-CA 3.49Å; L176-G179 PolarHBondContact O-N 2.82Å | ||
| 180 | R | 72 | Confident | 79.9 | Confident | 191 Ų | 191 | 51.3 Ų | 51.3 | 72% | 0.721 | 23% | 0.233 | S | C | * | . | trans | -83.4 | -29.7 | -167 | -68.7 | -170 | -177.7 | -162.6 | -4.3 | 115.1 | K178 K185 | K178-R180 HydrophobicContact CB-CG 4.32Å; K178-R180 WeakPolarHBondContact O-CG 3.42Å; K178-R180 PolarHBondContact O-N 3.39Å; R180-K185 WeakPolarHBondContact O-CE 3.46Å; R180-K185 PolarHBondContact O-NZ 3.2Å | ||
| 181 | G | 81 | Confident | 81.6 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -75.7 | 150.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F183 C184 K185 | G181-F183 PolarHBondContact O-N 2.92Å; G181-F183 VanDerWaalsContact O-N 3.16Å; G181-C184 WeakPolarHBondContact O-CB 3.25Å; G181-C184 PolarHBondContact O-N 2.89Å; G181-K185 PolarHBondContact O-N 3Å |
| 182 | S | 89.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.9 | -32.4 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 113.5 | L115 D119 C132 C184 K185 L186 | L115-S182 PolarHBondContact O-OG 3.33Å; D119-S182 VanDerWaalsContact CG-OG 3.26Å; D119-S182 PolarHBondContact OD1-N 3.21Å; D119-S182 PolarHBondContact OD1-OG 2.91Å; D119-S182 WeakPolarHBondContact OD2-CB 3.4Å; D119-S182 PolarHBondContact OD2-N 2.98Å; D119-S182 PolarHBondContact OD2-OG 3.32Å; C132-S182 VanDerWaalsContact SG-CB 3.52Å; S182-C184 PolarHBondContact O-N 3.43Å; S182-K185 PolarHBondContact O-N 3.07Å; S182-L186 WeakPolarHBondContact O-CB 3.44Å; S182-L186 PolarHBondContact O-N 3.49Å |
| 183 | F | 91.2 | Very high | 83.3 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.9 | -51.4 | 170.2 | 171.8 | -106.8 | 0 | 0 | 0 | 111.7 | L156 L159 M160 Q163 L164 L176 G181 K185 Y187 L314 | L156-F183 HydrophobicContact CD2-CD2 3.66Å; L156-F183 HydrophobicContact CD2-CE2 3.97Å; L159-F183 HydrophobicContact CB-CB 4.14Å; M160-F183 HydrophobicContact CG-CD2 3.48Å; M160-F183 VanDerWaalsContact CG-CD2 3.48Å; M160-F183 HydrophobicContact CG-CE2 3.28Å; M160-F183 HydrophobicContact CG-CG 4.23Å; M160-F183 HydrophobicContact CG-CZ 3.87Å; M160-F183 HydrophobicContact SD-CD2 4.24Å; M160-F183 HydrophobicContact SD-CE2 3.58Å; M160-F183 VanDerWaalsContact SD-CE2 3.58Å; M160-F183 HydrophobicContact SD-CZ 4.24Å; Q163-F183 VanDerWaalsContact OE1-N 3.1Å; L164-F183 HydrophobicContact CD1-CD1 4.04Å; L164-F183 HydrophobicContact CD1-CE1 4.01Å; L176-F183 HydrophobicContact CD2-CD1 4.2Å; L176-F183 HydrophobicContact CD2-CE1 3.98Å; G181-F183 PolarHBondContact O-N 2.92Å; G181-F183 VanDerWaalsContact O-N 3.16Å; F183-K185 PolarHBondContact O-N 2.85Å; F183-Y187 HydrophobicContact CZ-CD2 4.33Å; F183-Y187 HydrophobicContact CZ-CG 4.33Å; F183-Y187 WeakPolarHBondContact O-CB 3.34Å; F183-Y187 PolarHBondContact O-N 3.4Å; F183-L314 HydrophobicContact CE1-CD1 4.08Å; F183-L314 HydrophobicContact CZ-CD1 4.28Å |
| 184 | C | 88 | Confident | 84 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 11% | 0.108 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -28.1 | -177.1 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | G181 S182 R188 | G181-C184 WeakPolarHBondContact O-CB 3.25Å; G181-C184 PolarHBondContact O-N 2.89Å; S182-C184 PolarHBondContact O-N 3.43Å; C184-R188 WeakPolarHBondContact O-CB 3.41Å; C184-R188 PolarHBondContact O-N 3.12Å |
| 185 | K | 88.2 | Confident | 84.8 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -78 | -52.7 | 179.8 | -69.6 | 162.9 | 163.8 | 168.8 | 0 | 111.8 | S128 D129 C132 R180 G181 S182 F183 Y187 R188 L189 | S128-K185 PolarHBondContact OG-NZ 2.96Å; D129-K185 HydrophobicContact CB-CD 4.36Å; D129-K185 WeakPolarHBondContact OD1-CE 3.27Å; D129-K185 WeakPolarHBondContact OD1-CG 3.48Å; C132-K185 HydrophobicContact CB-CB 4.07Å; R180-K185 WeakPolarHBondContact O-CE 3.46Å; R180-K185 PolarHBondContact O-NZ 3.2Å; G181-K185 PolarHBondContact O-N 3Å; S182-K185 PolarHBondContact O-N 3.07Å; F183-K185 PolarHBondContact O-N 2.85Å; K185-Y187 VanDerWaalsContact C-N 3.33Å; K185-Y187 PolarHBondContact O-N 3.22Å; K185-R188 WeakPolarHBondContact O-CB 3.32Å; K185-R188 PolarHBondContact O-N 2.63Å; K185-L189 WeakPolarHBondContact O-CG 3.19Å; K185-L189 PolarHBondContact O-N 3.31Å |
| 186 | L | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 176.3 | -76.6 | 178.9 | 0 | 0 | 0 | 112.5 | L115 C132 F136 L152 L156 L159 S182 R188 L189 L190 | L115-L186 HydrophobicContact CD1-CD1 3.48Å; L115-L186 VanDerWaalsContact CD1-CD1 3.48Å; L115-L186 HydrophobicContact CD1-CG 4.4Å; C132-L186 HydrophobicContact CB-CD2 4.14Å; C132-L186 HydrophobicContact CB-CG 4.2Å; C132-L186 WeakPolarHBondContact O-CD2 3.35Å; F136-L186 HydrophobicContact CB-CD2 4.07Å; L152-L186 HydrophobicContact CD1-CB 4.28Å; L152-L186 HydrophobicContact CD1-CD1 3.88Å; L152-L186 HydrophobicContact CD1-CD2 4.03Å; L152-L186 HydrophobicContact CD1-CG 4.3Å; L156-L186 HydrophobicContact CD2-CB 3.69Å; L156-L186 HydrophobicContact CG-CB 4.36Å; L159-L186 HydrophobicContact CD1-CD1 3.81Å; S182-L186 WeakPolarHBondContact O-CB 3.44Å; S182-L186 PolarHBondContact O-N 3.49Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 2.88Å; L186-L189 HydrophobicContact CD2-CD1 4.25Å; L186-L189 PolarHBondContact O-N 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 PolarHBondContact O-N 3.01Å |
| 187 | Y | 92.9 | Very high | 86.5 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 174.1 | -179.4 | -106 | 0 | 0 | 0 | 111.4 | F183 K185 I191 L285 L314 | F183-Y187 HydrophobicContact CZ-CD2 4.33Å; F183-Y187 HydrophobicContact CZ-CG 4.33Å; F183-Y187 WeakPolarHBondContact O-CB 3.34Å; F183-Y187 PolarHBondContact O-N 3.4Å; K185-Y187 VanDerWaalsContact C-N 3.33Å; K185-Y187 PolarHBondContact O-N 3.22Å; Y187-I191 HydrophobicContact CD1-CD1 3.84Å; Y187-I191 HydrophobicContact CE1-CD1 3.36Å; Y187-I191 HydrophobicContact CE2-CD1 4.13Å; Y187-I191 HydrophobicContact CG-CD1 4.4Å; Y187-I191 WeakPolarHBondContact O-CG1 3.34Å; Y187-I191 PolarHBondContact O-N 2.8Å; Y187-I191 VanDerWaalsContact O-N 3.12Å; Y187-L285 HydrophobicContact CE2-CD2 4.14Å; Y187-L314 HydrophobicContact CD1-CD1 4.38Å; Y187-L314 HydrophobicContact CE1-CD1 3.95Å; Y187-L314 HydrophobicContact CE1-CD2 4.23Å; Y187-L314 HydrophobicContact CE1-CG 3.78Å; Y187-L314 HydrophobicContact CE2-CD2 3.9Å; Y187-L314 HydrophobicContact CE2-CG 4.37Å; Y187-L314 WeakPolarHBondContact OH-CG 3.28Å; Y187-L314 PolarHBondContact OH-O 3.43Å |
| 188 | R | 89.8 | Confident | 87.4 | Confident | 67 Ų | 67 | 30.7 Ų | 30.7 | 25% | 0.253 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.4 | -50.2 | 174.2 | -161.9 | -161.9 | -53.1 | 115.3 | 7.5 | 111.7 | C184 K185 L186 L190 I191 E192 | C184-R188 WeakPolarHBondContact O-CB 3.41Å; C184-R188 PolarHBondContact O-N 3.12Å; K185-R188 WeakPolarHBondContact O-CB 3.32Å; K185-R188 PolarHBondContact O-N 2.63Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 2.88Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 3.03Å; R188-I191 PolarHBondContact O-N 3.48Å; R188-I191 VanDerWaalsContact O-N 3.09Å; R188-E192 WeakPolarHBondContact CD-OE1 3.28Å; R188-E192 HydrophobicContact CG-CG 4.43Å; R188-E192 VanDerWaalsContact CG-OE1 3.23Å; R188-E192 WeakPolarHBondContact CG-OE1 3.4Å; R188-E192 WeakPolarHBondContact O-CB 3.48Å; R188-E192 WeakPolarHBondContact O-CG 3.27Å; R188-E192 PolarHBondContact O-N 3.28Å |
| 189 | L | 91.1 | Very high | 88.3 | Confident | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.089 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 178.6 | -69.5 | 167.5 | 0 | 0 | 0 | 112.2 | C132 R133 F136 K185 L186 E192 S193 | C132-L189 HydrophobicContact CB-CD1 4.47Å; R133-L189 HydrophobicContact CG-CD1 4.34Å; F136-L189 HydrophobicContact CB-CD1 4.03Å; F136-L189 HydrophobicContact CD1-CB 4.28Å; F136-L189 HydrophobicContact CD1-CD1 4.38Å; F136-L189 HydrophobicContact CD1-CD2 4.4Å; F136-L189 HydrophobicContact CD2-CB 3.93Å; F136-L189 HydrophobicContact CE1-CB 4.35Å; F136-L189 HydrophobicContact CE2-CB 4.02Å; F136-L189 HydrophobicContact CG-CB 4.07Å; F136-L189 HydrophobicContact CG-CD1 4.1Å; F136-L189 HydrophobicContact CZ-CB 4.23Å; K185-L189 WeakPolarHBondContact O-CG 3.19Å; K185-L189 PolarHBondContact O-N 3.31Å; L186-L189 HydrophobicContact CD2-CD1 4.25Å; L186-L189 PolarHBondContact O-N 3.31Å; L189-E192 PolarHBondContact O-N 3.46Å; L189-S193 PolarHBondContact O-N 2.96Å |
| 190 | L | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 173 | 179.1 | 71.2 | 0 | 0 | 0 | 111.7 | L152 V153 L156 L186 R188 S193 L194 L285 L288 | L152-L190 HydrophobicContact CD2-CB 4.21Å; L152-L190 HydrophobicContact CD2-CD1 4.04Å; V153-L190 HydrophobicContact CG2-CD2 4.19Å; L156-L190 HydrophobicContact CD1-CB 4.39Å; L156-L190 HydrophobicContact CD1-CD2 3.61Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 PolarHBondContact O-N 3.01Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 3.03Å; L190-S193 PolarHBondContact O-N 3.44Å; L190-L194 HydrophobicContact CD1-CD1 3.77Å; L190-L194 HydrophobicContact CD1-CD2 4.14Å; L190-L194 HydrophobicContact CD1-CG 3.73Å; L190-L194 HydrophobicContact CD2-CD1 4.29Å; L190-L194 HydrophobicContact CG-CD1 3.71Å; L190-L194 HydrophobicContact CG-CG 4.04Å; L190-L194 VanDerWaalsContact O-CB 3.32Å; L190-L194 WeakPolarHBondContact O-CB 3.34Å; L190-L194 VanDerWaalsContact O-CG 3.22Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 2.88Å; L190-L285 HydrophobicContact CD2-CD2 3.8Å; L190-L288 HydrophobicContact CD2-CD1 4.19Å |
| 191 | I | 92.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 178 | -69.8 | 172.3 | 0 | 0 | 0 | 111.1 | Y187 R188 S193 V197 L285 F319 F330 | Y187-I191 HydrophobicContact CD1-CD1 3.84Å; Y187-I191 HydrophobicContact CE1-CD1 3.36Å; Y187-I191 HydrophobicContact CE2-CD1 4.13Å; Y187-I191 HydrophobicContact CG-CD1 4.4Å; Y187-I191 WeakPolarHBondContact O-CG1 3.34Å; Y187-I191 PolarHBondContact O-N 2.8Å; Y187-I191 VanDerWaalsContact O-N 3.12Å; R188-I191 PolarHBondContact O-N 3.48Å; R188-I191 VanDerWaalsContact O-N 3.09Å; I191-S193 VanDerWaalsContact C-N 3.31Å; I191-S193 PolarHBondContact O-N 3Å; I191-V197 HydrophobicContact CG2-CG1 3.92Å; I191-V197 VanDerWaalsContact O-CG1 3.3Å; I191-V197 WeakPolarHBondContact O-CG1 3.49Å; I191-L285 HydrophobicContact CG1-CD1 4.16Å; I191-F319 HydrophobicContact CD1-CB 3.97Å; I191-F319 HydrophobicContact CD1-CD2 4.15Å; I191-F319 HydrophobicContact CD1-CG 4.11Å; I191-F319 HydrophobicContact CG2-CD2 3.49Å; I191-F319 VanDerWaalsContact CG2-CD2 3.49Å; I191-F319 HydrophobicContact CG2-CE2 3.72Å; I191-F319 HydrophobicContact CG2-CG 4.44Å; I191-F330 HydrophobicContact CG2-CD1 4.45Å; I191-F330 HydrophobicContact CG2-CE1 3.84Å |
| 192 | E | 87.3 | Confident | 91.1 | Very high | 26 Ų | 26 | 20.7 Ų | 20.7 | 12% | 0.121 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68 | -27 | -179.3 | -72.4 | 164.9 | 173.1 | 0 | 0 | 112.5 | H53 R188 L189 K198 F330 | H53-E192 VanDerWaalsContact CE1-CB 3.48Å; H53-E192 WeakPolarHBondContact CE1-CB 3.47Å; H53-E192 WeakPolarHBondContact CE1-CG 3.26Å; H53-E192 IonicContact CE1-OE1 3.43Å; H53-E192 IonicContact CE1-OE2 2.69Å; H53-E192 PolarHBondContact CE1-OE2 3.3Å; R188-E192 WeakPolarHBondContact CD-OE1 3.28Å; R188-E192 HydrophobicContact CG-CG 4.43Å; R188-E192 VanDerWaalsContact CG-OE1 3.23Å; R188-E192 WeakPolarHBondContact CG-OE1 3.4Å; R188-E192 WeakPolarHBondContact O-CB 3.48Å; R188-E192 WeakPolarHBondContact O-CG 3.27Å; R188-E192 PolarHBondContact O-N 3.28Å; L189-E192 PolarHBondContact O-N 3.46Å; E192-K198 WeakPolarHBondContact O-CE 3.44Å; E192-K198 PolarHBondContact O-NZ 3.31Å; E192-F330 HydrophobicContact CG-CE1 4.14Å |
| 193 | S | 87.8 | Confident | 91.3 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 4% | 0.035 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -95.7 | -35.9 | 177.4 | 82.8 | 0 | 0 | 0 | 0 | 115.6 | C142 L189 L190 I191 F195 K198 | C142-S193 WeakPolarHBondContact O-CB 3.25Å; C142-S193 PolarHBondContact O-OG 2.83Å; L189-S193 PolarHBondContact O-N 2.96Å; L190-S193 PolarHBondContact O-N 3.44Å; I191-S193 VanDerWaalsContact C-N 3.31Å; I191-S193 PolarHBondContact O-N 3Å; S193-F195 PolarHBondContact O-N 3.32Å; S193-K198 PolarHBondContact O-NZ 3.2Å |
| 194 | L | 89.9 | Confident | 91.5 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | trans | -55.7 | 122.4 | -171.2 | -86.1 | 179 | 0 | 0 | 0 | 113.8 | E149 L190 S196 V197 K198 L285 | E149-L194 VanDerWaalsContact CD-CD2 3.48Å; E149-L194 HydrophobicContact CG-CD2 3.9Å; E149-L194 WeakPolarHBondContact OE1-CD2 3.48Å; L190-L194 HydrophobicContact CD1-CD1 3.77Å; L190-L194 HydrophobicContact CD1-CD2 4.14Å; L190-L194 HydrophobicContact CD1-CG 3.73Å; L190-L194 HydrophobicContact CD2-CD1 4.29Å; L190-L194 HydrophobicContact CG-CD1 3.71Å; L190-L194 HydrophobicContact CG-CG 4.04Å; L190-L194 VanDerWaalsContact O-CB 3.32Å; L190-L194 WeakPolarHBondContact O-CB 3.34Å; L190-L194 VanDerWaalsContact O-CG 3.22Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 2.88Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.96Å; L194-V197 HydrophobicContact CB-CB 3.82Å; L194-V197 HydrophobicContact CB-CG2 3.72Å; L194-V197 HydrophobicContact CD1-CG2 3.93Å; L194-V197 HydrophobicContact CG-CG2 4.5Å; L194-V197 WeakPolarHBondContact O-CB 3.36Å; L194-V197 PolarHBondContact O-N 3.49Å; L194-K198 PolarHBondContact O-N 3.22Å; L194-K198 VanDerWaalsContact O-N 3.15Å; L194-L285 HydrophobicContact CD1-CD2 4.38Å; L194-L285 HydrophobicContact CD1-CG 4.38Å | ||
| 195 | F | 89.1 | Confident | 91.9 | Very high | 68 Ų | 68 | 22.3 Ų | 22.3 | 30% | 0.298 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -65 | -34.2 | 173.5 | -177.5 | -107.6 | 0 | 0 | 0 | 112.6 | S193 V197 K198 L199 R1234 | S193-F195 PolarHBondContact O-N 3.32Å; F195-V197 VanDerWaalsContact C-N 3.32Å; F195-V197 PolarHBondContact O-N 3.46Å; F195-K198 PolarHBondContact O-N 3Å; F195-L199 HydrophobicContact CD1-CD1 3.98Å; F195-L199 HydrophobicContact CD1-CG 4.25Å; F195-L199 HydrophobicContact CE1-CD1 3.56Å; F195-L199 HydrophobicContact CE1-CD2 4.1Å; F195-L199 HydrophobicContact CE1-CG 3.78Å; F195-L199 HydrophobicContact CZ-CD1 4.2Å; F195-L199 HydrophobicContact CZ-CD2 3.88Å; F195-L199 HydrophobicContact CZ-CG 3.93Å; F195-L199 PolarHBondContact O-N 3.04Å; F195-R1234 HydrophobicContact CD2-CG 4.39Å; F195-R1234 HydrophobicContact CE2-CG 4.12Å |
| 196 | S | 90.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 24.9 Ų | 24.9 | 22% | 0.217 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 174.1 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | L194 F200 | L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.96Å; S196-F200 PolarHBondContact O-N 2.95Å; S196-F200 VanDerWaalsContact O-N 3.17Å |
| 197 | V | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 171.7 | 161.5 | 0 | 0 | 0 | 0 | 110.8 | I191 L194 F195 L199 F200 L201 P282 L285 F319 | I191-V197 HydrophobicContact CG2-CG1 3.92Å; I191-V197 VanDerWaalsContact O-CG1 3.3Å; I191-V197 WeakPolarHBondContact O-CG1 3.49Å; L194-V197 HydrophobicContact CB-CB 3.82Å; L194-V197 HydrophobicContact CB-CG2 3.72Å; L194-V197 HydrophobicContact CD1-CG2 3.93Å; L194-V197 HydrophobicContact CG-CG2 4.5Å; L194-V197 WeakPolarHBondContact O-CB 3.36Å; L194-V197 PolarHBondContact O-N 3.49Å; F195-V197 VanDerWaalsContact C-N 3.32Å; F195-V197 PolarHBondContact O-N 3.46Å; V197-L199 PolarHBondContact O-N 2.93Å; V197-F200 PolarHBondContact O-N 3.09Å; V197-L201 HydrophobicContact CG1-CD1 3.72Å; V197-L201 HydrophobicContact CG1-CG 4.08Å; V197-L201 WeakPolarHBondContact O-CB 3.46Å; V197-L201 WeakPolarHBondContact O-CG 3.37Å; V197-L201 PolarHBondContact O-N 3.09Å; V197-P282 HydrophobicContact CB-CG 4.4Å; V197-P282 HydrophobicContact CG2-CB 4.38Å; V197-P282 HydrophobicContact CG2-CG 3.7Å; V197-L285 HydrophobicContact CG2-CD1 3.62Å; V197-F319 HydrophobicContact CG1-CE2 3.56Å; V197-F319 HydrophobicContact CG1-CZ 3.93Å; V197-F319 HydrophobicContact CG2-CE2 4.39Å; V197-F319 HydrophobicContact CG2-CZ 4.19Å |
| 198 | K | 91.1 | Very high | 92 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | -177.8 | -68.6 | 162.8 | -177.1 | 158.6 | 0 | 112.3 | E192 S193 L194 F195 T202 E1238 | E192-K198 WeakPolarHBondContact O-CE 3.44Å; E192-K198 PolarHBondContact O-NZ 3.31Å; S193-K198 PolarHBondContact O-NZ 3.2Å; L194-K198 PolarHBondContact O-N 3.22Å; L194-K198 VanDerWaalsContact O-N 3.15Å; F195-K198 PolarHBondContact O-N 3Å; K198-T202 VanDerWaalsContact O-CB 3.27Å; K198-T202 WeakPolarHBondContact O-CB 3.48Å; K198-T202 PolarHBondContact O-N 3.38Å; K198-T202 PolarHBondContact O-OG1 3.41Å; K198-E1238 WeakPolarHBondContact CD-OE1 3.47Å; K198-E1238 WeakPolarHBondContact CE-OE1 3.31Å; K198-E1238 IonicContact NZ-OE1 2.79Å; K198-E1238 PolarHBondContact NZ-OE1 3.06Å; K198-E1238 IonicContact NZ-OE2 2.66Å; K198-E1238 PolarHBondContact NZ-OE2 3.43Å |
| 199 | L | 91.9 | Very high | 92.1 | Very high | 91 Ų | 91 | 24.2 Ų | 24.2 | 48% | 0.476 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 169.5 | -74.7 | 173.5 | 0 | 0 | 0 | 111.7 | F195 V197 T202 S203 | F195-L199 HydrophobicContact CD1-CD1 3.98Å; F195-L199 HydrophobicContact CD1-CG 4.25Å; F195-L199 HydrophobicContact CE1-CD1 3.56Å; F195-L199 HydrophobicContact CE1-CD2 4.1Å; F195-L199 HydrophobicContact CE1-CG 3.78Å; F195-L199 HydrophobicContact CZ-CD1 4.2Å; F195-L199 HydrophobicContact CZ-CD2 3.88Å; F195-L199 HydrophobicContact CZ-CG 3.93Å; F195-L199 PolarHBondContact O-N 3.04Å; V197-L199 PolarHBondContact O-N 2.93Å; L199-T202 PolarHBondContact O-N 2.78Å; L199-S203 PolarHBondContact O-N 2.87Å; L199-S203 PolarHBondContact O-OG 2.84Å |
| 200 | F | 95.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | -179.4 | 170.5 | -105.7 | 0 | 0 | 0 | 112 | S196 V197 T202 S203 A204 S277 L278 F281 P282 F319 L320 | S196-F200 PolarHBondContact O-N 2.95Å; S196-F200 VanDerWaalsContact O-N 3.17Å; V197-F200 PolarHBondContact O-N 3.09Å; F200-T202 PolarHBondContact O-N 3.11Å; F200-S203 PolarHBondContact O-N 3.44Å; F200-S203 PolarHBondContact O-OG 3.42Å; F200-A204 HydrophobicContact CE2-CB 4.33Å; F200-A204 HydrophobicContact CZ-CB 4.36Å; F200-A204 WeakPolarHBondContact O-CB 3.2Å; F200-A204 PolarHBondContact O-N 2.82Å; F200-S277 WeakPolarHBondContact CD2-O 3.38Å; F200-S277 WeakPolarHBondContact CE2-O 3.37Å; F200-L278 HydrophobicContact CE2-CD2 4.26Å; F200-L278 HydrophobicContact CZ-CD2 4.38Å; F200-F281 HydrophobicContact CD1-CD2 4.22Å; F200-F281 HydrophobicContact CD2-CB 4.28Å; F200-F281 HydrophobicContact CD2-CD2 4.35Å; F200-F281 AromaticContact CE1-CD2 3.8Å; F200-F281 HydrophobicContact CE1-CD2 3.8Å; F200-F281 HydrophobicContact CE1-CE2 4.11Å; F200-F281 HydrophobicContact CE2-CB 4.32Å; F200-F281 AromaticContact CE2-CD2 3.97Å; F200-F281 HydrophobicContact CE2-CD2 3.97Å; F200-F281 HydrophobicContact CG-CD2 4.48Å; F200-F281 AromaticContact CZ-CD2 3.68Å; F200-F281 HydrophobicContact CZ-CD2 3.68Å; F200-F281 HydrophobicContact CZ-CE2 4.3Å; F200-P282 HydrophobicContact CB-CG 4.49Å; F200-F319 HydrophobicContact CD1-CE1 4.09Å; F200-F319 AromaticContact CD1-CZ 3.81Å; F200-F319 HydrophobicContact CD1-CZ 3.81Å; F200-F319 AromaticContact CE1-CE1 3.98Å; F200-F319 HydrophobicContact CE1-CE1 3.98Å; F200-F319 HydrophobicContact CE1-CZ 4.08Å; F200-L320 HydrophobicContact CE1-CD2 3.93Å; F200-L320 HydrophobicContact CZ-CD2 4.45Å |
| 201 | L | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 177.9 | -72.2 | -178.7 | 0 | 0 | 0 | 112.4 | V197 L205 F319 L320 A323 F330 I332 | V197-L201 HydrophobicContact CG1-CD1 3.72Å; V197-L201 HydrophobicContact CG1-CG 4.08Å; V197-L201 WeakPolarHBondContact O-CB 3.46Å; V197-L201 WeakPolarHBondContact O-CG 3.37Å; V197-L201 PolarHBondContact O-N 3.09Å; L201-L205 HydrophobicContact CD2-CD1 3.87Å; L201-L205 VanDerWaalsContact O-CB 3.24Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 PolarHBondContact O-N 2.87Å; L201-F319 HydrophobicContact CD1-CE2 3.89Å; L201-F319 HydrophobicContact CD2-CD2 4.36Å; L201-F319 HydrophobicContact CD2-CE2 3.64Å; L201-F319 HydrophobicContact CD2-CZ 4Å; L201-F319 HydrophobicContact CG-CE2 3.81Å; L201-F319 HydrophobicContact CG-CZ 4.19Å; L201-L320 HydrophobicContact CD2-CD2 4.09Å; L201-A323 HydrophobicContact CD1-CB 3.82Å; L201-A323 HydrophobicContact CD2-CB 3.68Å; L201-A323 HydrophobicContact CG-CB 4.39Å; L201-F330 HydrophobicContact CD1-CB 3.79Å; L201-F330 HydrophobicContact CD1-CD1 3.7Å; L201-F330 HydrophobicContact CD1-CG 3.89Å; L201-I332 HydrophobicContact CB-CD1 3.95Å; L201-I332 HydrophobicContact CB-CG1 4Å; L201-I332 HydrophobicContact CD1-CD1 4.37Å |
| 202 | T | 92.7 | Very high | 91.2 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 33% | 0.331 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.7 | -51.3 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | K198 L199 F200 A204 H206 | K198-T202 VanDerWaalsContact O-CB 3.27Å; K198-T202 WeakPolarHBondContact O-CB 3.48Å; K198-T202 PolarHBondContact O-N 3.38Å; K198-T202 PolarHBondContact O-OG1 3.41Å; L199-T202 PolarHBondContact O-N 2.78Å; F200-T202 PolarHBondContact O-N 3.11Å; T202-A204 VanDerWaalsContact C-N 3.33Å; T202-A204 PolarHBondContact O-N 3.35Å; T202-H206 HydrophobicContact CG2-CB 4.07Å; T202-H206 WeakPolarHBondContact O-CB 3.48Å; T202-H206 PolarHBondContact O-N 3.26Å |
| 203 | S | 93.7 | Very high | 90.9 | Very high | 52 Ų | 52 | 33 Ų | 33 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 179.4 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | L199 F200 S277 C280 | L199-S203 PolarHBondContact O-N 2.87Å; L199-S203 PolarHBondContact O-OG 2.84Å; F200-S203 PolarHBondContact O-N 3.44Å; F200-S203 PolarHBondContact O-OG 3.42Å; S203-S277 VanDerWaalsContact C-OG 3.22Å; S203-S277 WeakPolarHBondContact CB-OG 3.44Å; S203-S277 PolarHBondContact O-OG 3.03Å; S203-S277 WeakPolarHBondContact OG-CB 3.45Å; S203-S277 PolarHBondContact OG-OG 3.22Å; S203-C280 PolarHBondContact OG-SG 3.43Å; S203-C280 VanDerWaalsContact OG-SG 3.35Å |
| 204 | A | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -78.1 | -34 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F200 T202 S273 I274 S277 | F200-A204 HydrophobicContact CE2-CB 4.33Å; F200-A204 HydrophobicContact CZ-CB 4.36Å; F200-A204 WeakPolarHBondContact O-CB 3.2Å; F200-A204 PolarHBondContact O-N 2.82Å; T202-A204 VanDerWaalsContact C-N 3.33Å; T202-A204 PolarHBondContact O-N 3.35Å; A204-S273 WeakPolarHBondContact O-CB 3.4Å; A204-S273 PolarHBondContact O-OG 3.46Å; A204-I274 HydrophobicContact CB-CG1 4.16Å; A204-S277 WeakPolarHBondContact CA-OG 3.39Å; A204-S277 PolarHBondContact N-OG 3.31Å |
| 205 | L | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -119.3 | -21.2 | -166.9 | -53.7 | -179.2 | 0 | 0 | 0 | 114.9 | L201 A207 P208 V209 F270 I274 A323 I324 I332 | L201-L205 HydrophobicContact CD2-CD1 3.87Å; L201-L205 VanDerWaalsContact O-CB 3.24Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 PolarHBondContact O-N 2.87Å; L205-A207 PolarHBondContact O-N 3.25Å; L205-P208 WeakPolarHBondContact O-CD 3.12Å; L205-V209 HydrophobicContact CB-CG2 4.2Å; L205-V209 VanDerWaalsContact O-CB 3.24Å; L205-V209 WeakPolarHBondContact O-CB 3.39Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 3.42Å; L205-F270 HydrophobicContact CD2-CD1 3.83Å; L205-F270 HydrophobicContact CD2-CE1 4.12Å; L205-I274 HydrophobicContact CD2-CD1 4.1Å; L205-I274 HydrophobicContact CD2-CG1 4.01Å; L205-A323 HydrophobicContact CD1-CB 4.02Å; L205-I324 HydrophobicContact CD1-CG1 3.79Å; L205-I324 HydrophobicContact CD2-CD1 4.11Å; L205-I324 HydrophobicContact CD2-CG1 3.84Å; L205-I324 HydrophobicContact CG-CG1 4.46Å; L205-I332 HydrophobicContact CB-CD1 4.31Å; L205-I332 HydrophobicContact CB-CG2 4.44Å; L205-I332 HydrophobicContact CD1-CD1 3.88Å |
| 206 | H | 92.6 | Very high | 88.2 | Confident | 74 Ų | 74 | 42.5 Ų | 42.5 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.7 | -53.8 | -174.3 | 179.1 | -101.4 | 0 | 0 | 0 | 112.6 | T202 V209 L210 I332 | T202-H206 HydrophobicContact CG2-CB 4.07Å; T202-H206 WeakPolarHBondContact O-CB 3.48Å; T202-H206 PolarHBondContact O-N 3.26Å; H206-V209 PolarHBondContact O-N 3.5Å; H206-L210 WeakPolarHBondContact O-CB 3.29Å; H206-L210 PolarHBondContact O-N 3.27Å; H206-I332 HydrophobicContact CB-CG2 4.35Å; H206-I332 PolarHBondContact CD2-O 3.48Å |
| 207 | A | 89.8 | Confident | 87.1 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L205 R211 | L205-A207 PolarHBondContact O-N 3.25Å; A207-R211 WeakPolarHBondContact O-CB 3.38Å; A207-R211 PolarHBondContact O-N 3.18Å |
| 208 | P | 93 | Very high | 86.4 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 172.9 | -25.6 | 34 | 0 | 0 | 0 | 114.4 | L205 L212 F270 S273 | L205-P208 WeakPolarHBondContact O-CD 3.12Å; P208-L212 PolarHBondContact O-N 3.06Å; P208-L212 VanDerWaalsContact O-N 3.16Å; P208-F270 HydrophobicContact CB-CD1 4.01Å; P208-F270 HydrophobicContact CB-CD2 3.53Å; P208-F270 HydrophobicContact CB-CE1 3.97Å; P208-F270 HydrophobicContact CB-CE2 3.49Å; P208-F270 VanDerWaalsContact CB-CE2 3.49Å; P208-F270 HydrophobicContact CB-CG 3.8Å; P208-F270 HydrophobicContact CB-CZ 3.73Å; P208-S273 WeakPolarHBondContact CG-OG 3.28Å |
| 209 | V | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -47.2 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | L205 H206 R211 L212 I213 F270 P327 L333 L346 | L205-V209 HydrophobicContact CB-CG2 4.2Å; L205-V209 VanDerWaalsContact O-CB 3.24Å; L205-V209 WeakPolarHBondContact O-CB 3.39Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 3.42Å; H206-V209 PolarHBondContact O-N 3.5Å; V209-R211 VanDerWaalsContact C-N 3.34Å; V209-R211 PolarHBondContact O-N 3.5Å; V209-L212 PolarHBondContact O-N 3.21Å; V209-I213 HydrophobicContact CG1-CD1 3.81Å; V209-I213 WeakPolarHBondContact O-CG1 3.16Å; V209-I213 PolarHBondContact O-N 3.43Å; V209-F270 HydrophobicContact CB-CZ 4.45Å; V209-F270 HydrophobicContact CG2-CE1 3.69Å; V209-F270 HydrophobicContact CG2-CZ 3.64Å; V209-P327 HydrophobicContact CG1-CG 4.11Å; V209-L333 HydrophobicContact CG1-CD1 3.8Å; V209-L346 HydrophobicContact CB-CD2 4.5Å; V209-L346 HydrophobicContact CG1-CD1 4.17Å; V209-L346 HydrophobicContact CG1-CD2 4.23Å; V209-L346 HydrophobicContact CG2-CD2 4.03Å |
| 210 | L | 85.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 50 Ų | 50 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 180 | -174.9 | 63.2 | 0 | 0 | 0 | 111.6 | H206 I213 S214 T336 | H206-L210 WeakPolarHBondContact O-CB 3.29Å; H206-L210 PolarHBondContact O-N 3.27Å; L210-I213 PolarHBondContact O-N 3.13Å; L210-S214 PolarHBondContact O-N 3.48Å; L210-T336 HydrophobicContact CD1-CG2 4.2Å |
| 211 | R | 85.6 | Confident | 85.2 | Confident | 115 Ų | 115 | 50.7 Ų | 50.7 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 173.5 | -178.3 | 178.2 | -66.5 | 136.1 | 4.7 | 111.5 | A207 V209 I213 S214 E215 Q269 | A207-R211 WeakPolarHBondContact O-CB 3.38Å; A207-R211 PolarHBondContact O-N 3.18Å; V209-R211 VanDerWaalsContact C-N 3.34Å; V209-R211 PolarHBondContact O-N 3.5Å; R211-I213 PolarHBondContact O-N 3.05Å; R211-S214 WeakPolarHBondContact CA-OG 3.14Å; R211-S214 CarbonylContact O-C 3.56Å; R211-S214 PolarHBondContact O-N 3.14Å; R211-S214 PolarHBondContact O-OG 3.46Å; R211-E215 WeakPolarHBondContact CD-OE1 3.41Å; R211-E215 HydrophobicContact CG-CG 4.36Å; R211-E215 VanDerWaalsContact CG-OE1 3.26Å; R211-E215 WeakPolarHBondContact CG-OE1 3.45Å; R211-E215 WeakPolarHBondContact O-CG 3.18Å; R211-E215 PolarHBondContact O-N 3.28Å; R211-Q269 VanDerWaalsContact CD-OE1 3.28Å |
| 212 | L | 87.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -26.7 | 178 | 179.5 | 151.2 | 0 | 0 | 0 | 113.2 | P208 V209 A342 N345 L346 I349 | P208-L212 PolarHBondContact O-N 3.06Å; P208-L212 VanDerWaalsContact O-N 3.16Å; V209-L212 PolarHBondContact O-N 3.21Å; L212-A342 HydrophobicContact CD2-CB 4.3Å; L212-N345 HydrophobicContact CD1-CB 4.32Å; L212-N345 HydrophobicContact CD2-CB 4.02Å; L212-N345 HydrophobicContact CG-CB 4.49Å; L212-L346 HydrophobicContact CD1-CD2 4.34Å; L212-L346 HydrophobicContact CD2-CD2 3.88Å; L212-L346 HydrophobicContact CD2-CG 3.78Å; L212-I349 HydrophobicContact CD1-CD1 3.33Å; L212-I349 HydrophobicContact CD1-CG1 4.46Å |
| 213 | I | 81.3 | Confident | 83.7 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74 | -32.7 | 171.5 | -68.1 | 164.5 | 0 | 0 | 0 | 111.5 | V209 L210 R211 L333 T336 I338 A342 | V209-I213 HydrophobicContact CG1-CD1 3.81Å; V209-I213 WeakPolarHBondContact O-CG1 3.16Å; V209-I213 PolarHBondContact O-N 3.43Å; L210-I213 PolarHBondContact O-N 3.13Å; R211-I213 PolarHBondContact O-N 3.05Å; I213-L333 HydrophobicContact CD1-CD1 3.5Å; I213-T336 HydrophobicContact CG2-CG2 4.11Å; I213-I338 HydrophobicContact CD1-CD1 4.1Å; I213-I338 HydrophobicContact CD1-CG1 3.94Å; I213-I338 HydrophobicContact CD1-CG2 4.45Å; I213-I338 HydrophobicContact CG1-CG2 4.48Å; I213-A342 HydrophobicContact CG1-CB 4.04Å |
| 214 | S | 75.6 | Confident | 82.8 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -76.8 | -23.4 | 174.3 | 67 | 0 | 0 | 0 | 0 | 114.1 | L210 R211 N216 | L210-S214 PolarHBondContact O-N 3.48Å; R211-S214 WeakPolarHBondContact CA-OG 3.14Å; R211-S214 CarbonylContact O-C 3.56Å; R211-S214 PolarHBondContact O-N 3.14Å; R211-S214 PolarHBondContact O-OG 3.46Å; S214-N216 PolarHBondContact O-N 3.11Å |
| 215 | E | 74.1 | Confident | 81.7 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -84.4 | 108.8 | 179.7 | -74.5 | 174.3 | -174.4 | 0 | 0 | 111.5 | R211 | R211-E215 WeakPolarHBondContact CD-OE1 3.41Å; R211-E215 HydrophobicContact CG-CG 4.36Å; R211-E215 VanDerWaalsContact CG-OE1 3.26Å; R211-E215 WeakPolarHBondContact CG-OE1 3.45Å; R211-E215 WeakPolarHBondContact O-CG 3.18Å; R211-E215 PolarHBondContact O-N 3.28Å |
| 216 | N | 58.5 | Low | 80.9 | Confident | 132 Ų | 132 | 64 Ų | 64 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | trans | 33.9 | 133.2 | 160.3 | -67.2 | -60.1 | 0 | 0 | 0 | 120 | S214 L218 | S214-N216 PolarHBondContact O-N 3.11Å; N216-L218 PolarHBondContact O-N 3.47Å | ||
| 217 | E | 67.9 | Low | 80 | Confident | 165 Ų | 165 | 60.7 Ų | 60.7 | 77% | 0.771 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -67.8 | 30.5 | 175.1 | -57 | -165.3 | 150.7 | 0 | 0 | 115.9 | ||
| 218 | L | 79.3 | Confident | 79.1 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | -87.5 | 128.3 | 176.8 | -164.5 | 70.6 | 0 | 0 | 0 | 111.4 | N216 L220 Y255 I259 V341 N345 | N216-L218 PolarHBondContact O-N 3.47Å; L218-L220 PolarHBondContact O-N 2.97Å; L218-Y255 HydrophobicContact CD1-CE2 4.36Å; L218-I259 HydrophobicContact CD2-CD1 3.61Å; L218-I259 HydrophobicContact CG-CD1 4.22Å; L218-V341 WeakPolarHBondContact O-CG1 3.42Å; L218-N345 PolarHBondContact O-ND2 2.69Å | ||
| 219 | F | 83.9 | Confident | 78.2 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 26% | 0.263 | 32% | 0.318 | S | S | . | . | trans | -74.2 | 115.6 | 171.8 | -72.8 | -79.1 | 0 | 0 | 0 | 111.2 | D221 V341 F344 | F219-D221 PolarHBondContact O-N 2.67Å; F219-V341 HydrophobicContact CD1-CB 4.45Å; F219-V341 HydrophobicContact CD1-CG1 3.94Å; F219-V341 HydrophobicContact CD2-CG1 4.43Å; F219-V341 HydrophobicContact CE1-CB 4.22Å; F219-V341 HydrophobicContact CE1-CG1 4.2Å; F219-V341 HydrophobicContact CE1-CG2 4.02Å; F219-V341 HydrophobicContact CE2-CG2 4.01Å; F219-V341 HydrophobicContact CG-CG1 4.08Å; F219-V341 HydrophobicContact CZ-CB 4.45Å; F219-V341 HydrophobicContact CZ-CG2 3.74Å; F219-F344 HydrophobicContact CB-CD1 4.43Å; F219-F344 HydrophobicContact CD1-CB 4.09Å; F219-F344 AromaticContact CD1-CD1 3.72Å; F219-F344 HydrophobicContact CD1-CD1 3.72Å; F219-F344 HydrophobicContact CD1-CE1 4.39Å; F219-F344 AromaticContact CD1-CG 3.94Å; F219-F344 HydrophobicContact CD1-CG 3.94Å; F219-F344 HydrophobicContact CE1-CB 4.2Å; F219-F344 HydrophobicContact CE1-CG 4.38Å | ||
| 220 | L | 85.9 | Confident | 77.2 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | trans | -79.9 | 61.6 | 177.5 | -58.5 | -179.9 | 0 | 0 | 0 | 111.9 | L218 I259 Q262 L263 N345 Q348 | L218-L220 PolarHBondContact O-N 2.97Å; L220-I259 HydrophobicContact CB-CG2 4.24Å; L220-I259 HydrophobicContact CD2-CD1 3.8Å; L220-I259 HydrophobicContact CD2-CG2 4.26Å; L220-Q262 HydrophobicContact CD2-CB 4.13Å; L220-L263 HydrophobicContact CB-CD1 4.28Å; L220-L263 HydrophobicContact CB-CD2 3.72Å; L220-L263 HydrophobicContact CB-CG 3.95Å; L220-L263 HydrophobicContact CD1-CD2 3.83Å; L220-L263 HydrophobicContact CD1-CG 4.23Å; L220-L263 HydrophobicContact CG-CD2 4.41Å; L220-N345 WeakPolarHBondContact CB-OD1 3.34Å; L220-N345 HydrophobicContact CD1-CB 4.22Å; L220-N345 HydrophobicContact CG-CB 4.46Å; L220-N345 PolarHBondContact N-OD1 3.06Å; L220-Q348 PolarHBondContact O-NE2 3.36Å; L220-Q348 VanDerWaalsContact O-NE2 3.08Å | ||
| 221 | D | 83.9 | Confident | 76.5 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.08 | 33% | 0.331 | C | S | . | . | trans | -76.2 | 125.5 | 178.2 | -122.5 | -40.8 | 0 | 0 | 0 | 111.6 | F219 D223 A227 R230 F344 | F219-D221 PolarHBondContact O-N 2.67Å; D221-D223 VanDerWaalsContact C-N 3.25Å; D221-D223 PolarHBondContact O-N 3.34Å; D221-A227 HydrophobicContact CB-CB 3.81Å; D221-R230 IonicContact OD2-CZ 3.42Å; D221-R230 IonicContact OD2-NE 3.17Å; D221-R230 IonicContact OD2-NH1 3.74Å; D221-R230 PolarHBondContact OD2-NH1 2.96Å; D221-F344 HydrophobicContact CB-CE1 4.48Å | ||
| 222 | L | 77.8 | Confident | 75.7 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73.6 | -18.4 | 174.4 | -76 | 169.9 | 0 | 0 | 0 | 113 | L263 I352 L368 L371 | L222-L263 HydrophobicContact CD2-CD1 3.52Å; L222-L263 HydrophobicContact CG-CD1 3.84Å; L222-I352 HydrophobicContact CD1-CD1 4.4Å; L222-I352 HydrophobicContact CD1-CG1 4.45Å; L222-L368 HydrophobicContact CB-CD2 4.41Å; L222-L368 HydrophobicContact CD1-CD2 4.48Å; L222-L368 HydrophobicContact CD2-CD2 4.49Å; L222-L371 HydrophobicContact CD1-CD2 4.12Å; L222-L371 HydrophobicContact CD2-CD1 4.04Å; L222-L371 HydrophobicContact CD2-CD2 3.76Å; L222-L371 HydrophobicContact CD2-CG 4.42Å |
| 223 | D | 79.3 | Confident | 74.6 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | trans | -100.7 | 106.4 | 178 | -176.8 | -13.2 | 0 | 0 | 0 | 109.4 | D221 D225 R226 A227 | D221-D223 VanDerWaalsContact C-N 3.25Å; D221-D223 PolarHBondContact O-N 3.34Å; D223-D225 VanDerWaalsContact C-N 3.26Å; D223-D225 PolarHBondContact O-N 2.97Å; D223-D225 PolarHBondContact OD1-N 3.06Å; D223-D225 VanDerWaalsContact OD1-N 3.17Å; D223-R226 HydrophobicContact CB-CB 4.04Å; D223-R226 HydrophobicContact CB-CG 4.08Å; D223-R226 PolarHBondContact O-N 2.93Å; D223-R226 VanDerWaalsContact O-N 3.17Å; D223-R226 VanDerWaalsContact OD2-CD 3.28Å; D223-R226 WeakPolarHBondContact OD2-CD 3.39Å; D223-R226 WeakPolarHBondContact OD2-CG 3.43Å; D223-R226 IonicContact OD2-NE 2.7Å; D223-R226 PolarHBondContact OD2-NE 3.32Å; D223-A227 PolarHBondContact O-N 3.33Å | ||
| 224 | P | 72.8 | Confident | 73.7 | Confident | 23 Ų | 23 | 71 Ų | 71 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -27.2 | -174.8 | 27.6 | -35.1 | 0 | 0 | 0 | 113 | R226 A227 A228 V252 R256 | P224-R226 VanDerWaalsContact C-N 3.33Å; P224-A227 PolarHBondContact O-N 3.38Å; P224-A228 WeakPolarHBondContact O-CB 3.3Å; P224-A228 PolarHBondContact O-N 2.85Å; P224-V252 HydrophobicContact CB-CG1 3.78Å; P224-R256 HydrophobicContact CB-CB 4.45Å |
| 225 | D | 73.5 | Confident | 73.4 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.1 | -33.5 | 178.1 | -64.6 | -32.3 | 0 | 0 | 0 | 110.2 | D223 M229 | D223-D225 VanDerWaalsContact C-N 3.26Å; D223-D225 PolarHBondContact O-N 2.97Å; D223-D225 PolarHBondContact OD1-N 3.06Å; D223-D225 VanDerWaalsContact OD1-N 3.17Å; D225-M229 WeakPolarHBondContact O-CG 3.38Å; D225-M229 PolarHBondContact O-N 3.43Å |
| 226 | R | 79.4 | Confident | 73.2 | Confident | 154 Ų | 154 | 70.1 Ų | 70.1 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -73 | -42.3 | 171.2 | -70.3 | 179.6 | 175.8 | -154.2 | -5.5 | 113 | D223 P224 A228 M229 R230 | D223-R226 HydrophobicContact CB-CB 4.04Å; D223-R226 HydrophobicContact CB-CG 4.08Å; D223-R226 PolarHBondContact O-N 2.93Å; D223-R226 VanDerWaalsContact O-N 3.17Å; D223-R226 VanDerWaalsContact OD2-CD 3.28Å; D223-R226 WeakPolarHBondContact OD2-CD 3.39Å; D223-R226 WeakPolarHBondContact OD2-CG 3.43Å; D223-R226 IonicContact OD2-NE 2.7Å; D223-R226 PolarHBondContact OD2-NE 3.32Å; P224-R226 VanDerWaalsContact C-N 3.33Å; R226-A228 VanDerWaalsContact C-N 3.3Å; R226-A228 PolarHBondContact O-N 3.28Å; R226-M229 HydrophobicContact CB-CE 4.48Å; R226-M229 HydrophobicContact CG-CE 4.02Å; R226-M229 PolarHBondContact O-N 3.37Å; R226-M229 VanDerWaalsContact O-N 3.14Å; R226-R230 PolarHBondContact O-N 2.96Å |
| 227 | A | 73.3 | Confident | 73.8 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | D221 D223 P224 M229 R230 Y255 | D221-A227 HydrophobicContact CB-CB 3.81Å; D223-A227 PolarHBondContact O-N 3.33Å; P224-A227 PolarHBondContact O-N 3.38Å; A227-M229 VanDerWaalsContact C-N 3.3Å; A227-M229 PolarHBondContact O-N 3.35Å; A227-R230 WeakPolarHBondContact O-CB 3.26Å; A227-R230 PolarHBondContact O-N 3.17Å; A227-R230 VanDerWaalsContact O-N 3.07Å; A227-Y255 HydrophobicContact CB-CE1 3.74Å |
| 228 | A | 71.9 | Confident | 74 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P224 R226 R230 L231 K236 Y240 | P224-A228 WeakPolarHBondContact O-CB 3.3Å; P224-A228 PolarHBondContact O-N 2.85Å; R226-A228 VanDerWaalsContact C-N 3.3Å; R226-A228 PolarHBondContact O-N 3.28Å; A228-R230 PolarHBondContact O-N 3.42Å; A228-L231 PolarHBondContact O-N 3.12Å; A228-K236 WeakPolarHBondContact O-CE 3.44Å; A228-Y240 HydrophobicContact CB-CE2 4.37Å |
| 229 | M | 73.6 | Confident | 73.5 | Confident | 138 Ų | 138 | 70 Ų | 70 | 68% | 0.68 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.1 | -15.8 | 175.5 | -76.1 | -170.1 | -66 | 0 | 0 | 114.7 | D225 R226 A227 | D225-M229 WeakPolarHBondContact O-CG 3.38Å; D225-M229 PolarHBondContact O-N 3.43Å; R226-M229 HydrophobicContact CB-CE 4.48Å; R226-M229 HydrophobicContact CG-CE 4.02Å; R226-M229 PolarHBondContact O-N 3.37Å; R226-M229 VanDerWaalsContact O-N 3.14Å; A227-M229 VanDerWaalsContact C-N 3.3Å; A227-M229 PolarHBondContact O-N 3.35Å |
| 230 | R | 71.4 | Confident | 73.1 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -83.8 | -17.1 | 175.7 | -71.2 | 174.6 | 160.4 | 170 | -13.9 | 113.4 | D221 R226 A227 A228 | D221-R230 IonicContact OD2-CZ 3.42Å; D221-R230 IonicContact OD2-NE 3.17Å; D221-R230 IonicContact OD2-NH1 3.74Å; D221-R230 PolarHBondContact OD2-NH1 2.96Å; R226-R230 PolarHBondContact O-N 2.96Å; A227-R230 WeakPolarHBondContact O-CB 3.26Å; A227-R230 PolarHBondContact O-N 3.17Å; A227-R230 VanDerWaalsContact O-N 3.07Å; A228-R230 PolarHBondContact O-N 3.42Å |
| 231 | L | 69.5 | Low | 72.9 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -91.6 | 143 | 178.5 | -69.9 | 157.7 | 0 | 0 | 0 | 111.1 | A228 E235 K236 Y240 | A228-L231 PolarHBondContact O-N 3.12Å; L231-E235 HydrophobicContact CB-CB 4.22Å; L231-E235 HydrophobicContact CD2-CB 4.02Å; L231-K236 HydrophobicContact CB-CG 4.07Å; L231-Y240 HydrophobicContact CD1-CE2 3.64Å; L231-Y240 WeakPolarHBondContact CD1-OH 3.19Å |
| 232 | S | 68.8 | Low | 72.6 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | trans | -63.7 | 160 | 174.8 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | S234 E235 K236 | S232-S234 PolarHBondContact O-N 3.23Å; S232-S234 PolarHBondContact OG-OG 2.75Å; S232-E235 WeakPolarHBondContact CB-OE2 3.38Å; S232-E235 PolarHBondContact N-OE2 3.07Å; S232-E235 PolarHBondContact O-N 3.48Å; S232-E235 VanDerWaalsContact O-N 3.09Å; S232-E235 VanDerWaalsContact OG-CD 3.24Å; S232-E235 VanDerWaalsContact OG-CG 3.28Å; S232-E235 WeakPolarHBondContact OG-CG 3.47Å; S232-E235 PolarHBondContact OG-N 3.05Å; S232-E235 PolarHBondContact OG-OE2 3.38Å; S232-K236 WeakPolarHBondContact O-CB 3.44Å; S232-K236 WeakPolarHBondContact O-CG 2.76Å; S232-K236 PolarHBondContact O-N 3.49Å | ||
| 233 | A | 65 | Low | 72.6 | Confident | 82 Ų | 82 | 74 Ų | 74 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57 | -34.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L237 | A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 PolarHBondContact O-N 2.85Å |
| 234 | S | 62.5 | Low | 72.7 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 61% | 0.608 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.5 | -47.5 | 172.5 | 27.7 | 0 | 0 | 0 | 0 | 113 | S232 L237 A238 | S232-S234 PolarHBondContact O-N 3.23Å; S232-S234 PolarHBondContact OG-OG 2.75Å; S234-L237 PolarHBondContact O-N 3.45Å; S234-A238 PolarHBondContact O-N 3.41Å |
| 235 | E | 68.4 | Low | 73.3 | Confident | 90 Ų | 90 | 75 Ų | 75 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | -179.7 | -69.6 | 158.7 | 131.1 | 0 | 0 | 111.5 | L231 S232 L237 A238 Y239 | L231-E235 HydrophobicContact CB-CB 4.22Å; L231-E235 HydrophobicContact CD2-CB 4.02Å; S232-E235 WeakPolarHBondContact CB-OE2 3.38Å; S232-E235 PolarHBondContact N-OE2 3.07Å; S232-E235 PolarHBondContact O-N 3.48Å; S232-E235 VanDerWaalsContact O-N 3.09Å; S232-E235 VanDerWaalsContact OG-CD 3.24Å; S232-E235 VanDerWaalsContact OG-CG 3.28Å; S232-E235 WeakPolarHBondContact OG-CG 3.47Å; S232-E235 PolarHBondContact OG-N 3.05Å; S232-E235 PolarHBondContact OG-OE2 3.38Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3Å; E235-A238 PolarHBondContact O-N 3.2Å; E235-Y239 HydrophobicContact CB-CD2 4.43Å; E235-Y239 WeakPolarHBondContact O-CB 3.31Å; E235-Y239 WeakPolarHBondContact O-CD2 3.22Å; E235-Y239 PolarHBondContact O-N 3.29Å |
| 236 | K | 69.9 | Low | 73.9 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 16% | 0.161 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -52.5 | -48 | 170.6 | -77.4 | 177.4 | 161.6 | -162.3 | 0 | 111.6 | A228 L231 S232 A238 Y240 G241 E243 | A228-K236 WeakPolarHBondContact O-CE 3.44Å; L231-K236 HydrophobicContact CB-CG 4.07Å; S232-K236 WeakPolarHBondContact O-CB 3.44Å; S232-K236 WeakPolarHBondContact O-CG 2.76Å; S232-K236 PolarHBondContact O-N 3.49Å; K236-A238 VanDerWaalsContact C-N 3.32Å; K236-A238 PolarHBondContact O-N 2.81Å; K236-Y240 HydrophobicContact CB-CD2 4.33Å; K236-Y240 HydrophobicContact CG-CD2 4.44Å; K236-Y240 WeakPolarHBondContact O-CA 3.04Å; K236-Y240 WeakPolarHBondContact O-CB 3.37Å; K236-Y240 PolarHBondContact O-N 3.01Å; K236-G241 PolarHBondContact O-N 3.39Å; K236-E243 WeakPolarHBondContact CD-OE1 3.25Å; K236-E243 IonicContact NZ-OE1 3.83Å; K236-E243 PolarHBondContact NZ-OE1 2.98Å |
| 237 | L | 71.6 | Confident | 74.1 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 60% | 0.602 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.9 | -31.2 | -176.9 | -158.5 | 152.1 | 0 | 0 | 0 | 111.6 | A233 S234 E235 G241 | A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 PolarHBondContact O-N 2.85Å; S234-L237 PolarHBondContact O-N 3.45Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3Å; L237-G241 WeakPolarHBondContact O-CA 3.42Å; L237-G241 PolarHBondContact O-N 3.49Å; L237-G241 VanDerWaalsContact O-N 3.13Å |
| 238 | A | 72.4 | Confident | 74.6 | Confident | 86 Ų | 86 | 73.8 Ų | 73.8 | 71% | 0.711 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -74.6 | -45.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S234 E235 K236 | S234-A238 PolarHBondContact O-N 3.41Å; E235-A238 PolarHBondContact O-N 3.2Å; K236-A238 VanDerWaalsContact C-N 3.32Å; K236-A238 PolarHBondContact O-N 2.81Å |
| 239 | Y | 68.6 | Low | 75.1 | Confident | 158 Ų | 158 | 80.9 Ų | 80.9 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -79.4 | -36.2 | -176.4 | -87.7 | -76.9 | 0 | 0 | 0 | 113.9 | E235 | E235-Y239 HydrophobicContact CB-CD2 4.43Å; E235-Y239 WeakPolarHBondContact O-CB 3.31Å; E235-Y239 WeakPolarHBondContact O-CD2 3.22Å; E235-Y239 PolarHBondContact O-N 3.29Å |
| 240 | Y | 76.7 | Confident | 75.8 | Confident | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.016 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -28.7 | -173.6 | -49.1 | -52.6 | 0 | 0 | 0 | 112.8 | A228 L231 K236 Y248 N251 V252 Y255 | A228-Y240 HydrophobicContact CB-CE2 4.37Å; L231-Y240 HydrophobicContact CD1-CE2 3.64Å; L231-Y240 WeakPolarHBondContact CD1-OH 3.19Å; K236-Y240 HydrophobicContact CB-CD2 4.33Å; K236-Y240 HydrophobicContact CG-CD2 4.44Å; K236-Y240 WeakPolarHBondContact O-CA 3.04Å; K236-Y240 WeakPolarHBondContact O-CB 3.37Å; K236-Y240 PolarHBondContact O-N 3.01Å; Y240-Y248 VanDerWaalsContact CB-CE2 3.47Å; Y240-Y248 AromaticContact CD2-CE2 3.96Å; Y240-Y248 HydrophobicContact CD2-CE2 3.96Å; Y240-Y248 HydrophobicContact CG-CD2 4.37Å; Y240-Y248 HydrophobicContact CG-CE2 4.07Å; Y240-Y248 VanDerWaalsContact O-CA 3.24Å; Y240-Y248 WeakPolarHBondContact O-CA 3.25Å; Y240-Y248 PolarHBondContact O-N 3.34Å; Y240-N251 HydrophobicContact CD1-CB 4.11Å; Y240-N251 PolarHBondContact O-ND2 2.84Å; Y240-V252 HydrophobicContact CD1-CG2 3.7Å; Y240-V252 HydrophobicContact CD2-CG2 4.25Å; Y240-V252 HydrophobicContact CE1-CG2 4.09Å; Y240-V252 HydrophobicContact CG-CG2 3.8Å; Y240-Y255 HydrophobicContact CE1-CD2 4.22Å; Y240-Y255 HydrophobicContact CE1-CG 4.01Å |
| 241 | G | 79.7 | Confident | 76.5 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 19% | 0.186 | 46% | 0.455 | C | S | . | . | trans | 96.6 | -166.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K236 L237 E243 | K236-G241 PolarHBondContact O-N 3.39Å; L237-G241 WeakPolarHBondContact O-CA 3.42Å; L237-G241 PolarHBondContact O-N 3.49Å; L237-G241 VanDerWaalsContact O-N 3.13Å; G241-E243 PolarHBondContact O-N 3.01Å | ||
| 242 | A | 79.2 | Confident | 77.1 | Confident | 60 Ų | 60 | 76.9 Ų | 76.9 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -65.4 | 128.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G244 S245 Y248 | A242-G244 PolarHBondContact O-N 3.15Å; A242-S245 VanDerWaalsContact O-CB 3.25Å; A242-S245 WeakPolarHBondContact O-CB 3.17Å; A242-S245 PolarHBondContact O-N 3Å; A242-S245 VanDerWaalsContact O-N 3.12Å; A242-S245 PolarHBondContact O-OG 3.05Å; A242-Y248 WeakPolarHBondContact O-CB 3.23Å |
| 243 | E | 78.1 | Confident | 77.8 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 135.5 | 179.5 | -68.7 | -169.7 | 152.1 | 0 | 0 | 111.5 | K236 G241 S245 Y248 | K236-E243 WeakPolarHBondContact CD-OE1 3.25Å; K236-E243 IonicContact NZ-OE1 3.83Å; K236-E243 PolarHBondContact NZ-OE1 2.98Å; G241-E243 PolarHBondContact O-N 3.01Å; E243-S245 VanDerWaalsContact C-N 3.3Å; E243-S245 PolarHBondContact O-N 3.29Å; E243-Y248 HydrophobicContact CB-CE2 4.39Å; E243-Y248 HydrophobicContact CG-CD2 4.26Å; E243-Y248 HydrophobicContact CG-CE2 3.7Å |
| 244 | G | 80.1 | Confident | 78.9 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 68% | 0.68 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -11.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A242 | A242-G244 PolarHBondContact O-N 3.15Š|
| 245 | S | 85.5 | Confident | 79.9 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -65.9 | 159.6 | 173.3 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | A242 E243 Q247 Y248 K249 | A242-S245 VanDerWaalsContact O-CB 3.25Å; A242-S245 WeakPolarHBondContact O-CB 3.17Å; A242-S245 PolarHBondContact O-N 3Å; A242-S245 VanDerWaalsContact O-N 3.12Å; A242-S245 PolarHBondContact O-OG 3.05Å; E243-S245 VanDerWaalsContact C-N 3.3Å; E243-S245 PolarHBondContact O-N 3.29Å; S245-Q247 VanDerWaalsContact C-N 3.28Å; S245-Q247 PolarHBondContact O-N 3.37Å; S245-Y248 WeakPolarHBondContact O-CB 3.35Å; S245-Y248 PolarHBondContact O-N 2.62Å; S245-Y248 WeakPolarHBondContact OG-CB 3.23Å; S245-Y248 PolarHBondContact OG-N 3.08Å; S245-K249 PolarHBondContact O-N 3.46Å |
| 246 | A | 85.6 | Confident | 80.7 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 71% | 0.711 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y248 K249 E250 | A246-Y248 VanDerWaalsContact C-N 3.33Å; A246-Y248 PolarHBondContact O-N 3.13Å; A246-K249 PolarHBondContact O-N 3.32Å; A246-K249 VanDerWaalsContact O-N 3.16Å; A246-E250 PolarHBondContact O-N 3.32Å; A246-E250 VanDerWaalsContact O-N 3.07Å |
| 247 | Q | 83.7 | Confident | 81.5 | Confident | 129 Ų | 129 | 81.1 Ų | 81.1 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.5 | -36.5 | 178.9 | -153.8 | 169.4 | 15.1 | 0 | 0 | 111.9 | S245 K249 E250 N251 | S245-Q247 VanDerWaalsContact C-N 3.28Å; S245-Q247 PolarHBondContact O-N 3.37Å; Q247-K249 PolarHBondContact O-N 2.93Å; Q247-E250 PolarHBondContact O-N 2.77Å; Q247-N251 WeakPolarHBondContact O-CB 3.23Å; Q247-N251 VanDerWaalsContact O-CG 3.3Å; Q247-N251 PolarHBondContact O-N 2.92Å; Q247-N251 PolarHBondContact O-ND2 3.05Å |
| 248 | Y | 84 | Confident | 82.3 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 12% | 0.122 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 171.4 | -174.3 | -84.1 | 0 | 0 | 0 | 112.1 | Y240 A242 E243 S245 A246 E250 N251 V252 | Y240-Y248 VanDerWaalsContact CB-CE2 3.47Å; Y240-Y248 AromaticContact CD2-CE2 3.96Å; Y240-Y248 HydrophobicContact CD2-CE2 3.96Å; Y240-Y248 HydrophobicContact CG-CD2 4.37Å; Y240-Y248 HydrophobicContact CG-CE2 4.07Å; Y240-Y248 VanDerWaalsContact O-CA 3.24Å; Y240-Y248 WeakPolarHBondContact O-CA 3.25Å; Y240-Y248 PolarHBondContact O-N 3.34Å; A242-Y248 WeakPolarHBondContact O-CB 3.23Å; E243-Y248 HydrophobicContact CB-CE2 4.39Å; E243-Y248 HydrophobicContact CG-CD2 4.26Å; E243-Y248 HydrophobicContact CG-CE2 3.7Å; S245-Y248 WeakPolarHBondContact O-CB 3.35Å; S245-Y248 PolarHBondContact O-N 2.62Å; S245-Y248 WeakPolarHBondContact OG-CB 3.23Å; S245-Y248 PolarHBondContact OG-N 3.08Å; A246-Y248 VanDerWaalsContact C-N 3.33Å; A246-Y248 PolarHBondContact O-N 3.13Å; Y248-E250 PolarHBondContact O-N 2.9Å; Y248-N251 PolarHBondContact O-N 3.48Å; Y248-V252 HydrophobicContact CD1-CG2 4Å; Y248-V252 HydrophobicContact CE1-CG2 3.69Å; Y248-V252 WeakPolarHBondContact O-CB 3.35Å; Y248-V252 VanDerWaalsContact O-CG2 3.26Å; Y248-V252 WeakPolarHBondContact O-CG2 3.46Å; Y248-V252 PolarHBondContact O-N 3.02Å |
| 249 | K | 83.4 | Confident | 83 | Confident | 155 Ų | 155 | 74.8 Ų | 74.8 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 177.3 | -70.8 | -176.9 | 175.8 | 179 | 0 | 112.5 | S245 A246 Q247 A253 | S245-K249 PolarHBondContact O-N 3.46Å; A246-K249 PolarHBondContact O-N 3.32Å; A246-K249 VanDerWaalsContact O-N 3.16Å; Q247-K249 PolarHBondContact O-N 2.93Å; K249-A253 WeakPolarHBondContact O-CB 3.28Å; K249-A253 PolarHBondContact O-N 3.22Å |
| 250 | E | 87.2 | Confident | 84.1 | Confident | 139 Ų | 139 | 67.5 Ų | 67.5 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.7 | -47.1 | 176.7 | -172.6 | 176.6 | -175.9 | 0 | 0 | 111.8 | A246 Q247 Y248 A253 K254 | A246-E250 PolarHBondContact O-N 3.32Å; A246-E250 VanDerWaalsContact O-N 3.07Å; Q247-E250 PolarHBondContact O-N 2.77Å; Y248-E250 PolarHBondContact O-N 2.9Å; E250-A253 PolarHBondContact O-N 3.29Å; E250-K254 WeakPolarHBondContact O-CB 3.48Å; E250-K254 PolarHBondContact O-N 3.04Å |
| 251 | N | 85.8 | Confident | 84.8 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 178.8 | -73 | -31.7 | 0 | 0 | 0 | 112.4 | Y240 Q247 Y248 K254 Y255 | Y240-N251 HydrophobicContact CD1-CB 4.11Å; Y240-N251 PolarHBondContact O-ND2 2.84Å; Q247-N251 WeakPolarHBondContact O-CB 3.23Å; Q247-N251 VanDerWaalsContact O-CG 3.3Å; Q247-N251 PolarHBondContact O-N 2.92Å; Q247-N251 PolarHBondContact O-ND2 3.05Å; Y248-N251 PolarHBondContact O-N 3.48Å; N251-K254 PolarHBondContact O-N 2.94Å; N251-Y255 WeakPolarHBondContact O-CB 3.49Å; N251-Y255 PolarHBondContact O-N 3.09Å |
| 252 | V | 83 | Confident | 85.3 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | P224 Y240 Y248 Y255 R256 | P224-V252 HydrophobicContact CB-CG1 3.78Å; Y240-V252 HydrophobicContact CD1-CG2 3.7Å; Y240-V252 HydrophobicContact CD2-CG2 4.25Å; Y240-V252 HydrophobicContact CE1-CG2 4.09Å; Y240-V252 HydrophobicContact CG-CG2 3.8Å; Y248-V252 HydrophobicContact CD1-CG2 4Å; Y248-V252 HydrophobicContact CE1-CG2 3.69Å; Y248-V252 WeakPolarHBondContact O-CB 3.35Å; Y248-V252 VanDerWaalsContact O-CG2 3.26Å; Y248-V252 WeakPolarHBondContact O-CG2 3.46Å; Y248-V252 PolarHBondContact O-N 3.02Å; V252-Y255 PolarHBondContact O-N 3.18Å; V252-R256 WeakPolarHBondContact O-CB 3Å; V252-R256 PolarHBondContact O-N 2.71Å |
| 253 | A | 84.3 | Confident | 85.9 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | K249 E250 R256 K257 | K249-A253 WeakPolarHBondContact O-CB 3.28Å; K249-A253 PolarHBondContact O-N 3.22Å; E250-A253 PolarHBondContact O-N 3.29Å; A253-R256 PolarHBondContact O-N 3.17Å; A253-K257 PolarHBondContact O-N 3.49Å |
| 254 | K | 86.4 | Confident | 86.7 | Confident | 149 Ų | 149 | 66.5 Ų | 66.5 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 174.7 | -170.4 | 179.8 | -179.5 | -176 | 0 | 111.8 | E250 N251 K257 T258 | E250-K254 WeakPolarHBondContact O-CB 3.48Å; E250-K254 PolarHBondContact O-N 3.04Å; N251-K254 PolarHBondContact O-N 2.94Å; K254-K257 PolarHBondContact O-N 3.47Å; K254-T258 PolarHBondContact O-N 3.31Å; K254-T258 VanDerWaalsContact O-N 3.1Å; K254-T258 PolarHBondContact O-OG1 3.03Å |
| 255 | Y | 83.7 | Confident | 87.3 | Confident | 37 Ų | 37 | 66 Ų | 66 | 15% | 0.145 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -51.2 | 174.3 | 177.2 | -91 | 0 | 0 | 0 | 111.7 | L218 A227 Y240 N251 V252 K257 T258 I259 | L218-Y255 HydrophobicContact CD1-CE2 4.36Å; A227-Y255 HydrophobicContact CB-CE1 3.74Å; Y240-Y255 HydrophobicContact CE1-CD2 4.22Å; Y240-Y255 HydrophobicContact CE1-CG 4.01Å; N251-Y255 WeakPolarHBondContact O-CB 3.49Å; N251-Y255 PolarHBondContact O-N 3.09Å; V252-Y255 PolarHBondContact O-N 3.18Å; Y255-K257 PolarHBondContact O-N 2.66Å; Y255-T258 WeakPolarHBondContact O-CB 3.23Å; Y255-T258 PolarHBondContact O-N 2.92Å; Y255-I259 HydrophobicContact CD1-CG1 4.01Å; Y255-I259 HydrophobicContact CE1-CD1 4.06Å; Y255-I259 HydrophobicContact CE1-CG1 3.56Å; Y255-I259 HydrophobicContact CE2-CD1 4.22Å; Y255-I259 HydrophobicContact CE2-CG1 4.36Å; Y255-I259 WeakPolarHBondContact O-CG1 3.11Å; Y255-I259 PolarHBondContact O-N 2.84Å |
| 256 | R | 85.8 | Confident | 87.6 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.4 | -42.6 | 175.6 | 172.7 | 177.4 | 157.9 | 132.9 | -0.6 | 111.6 | P224 V252 A253 I259 I260 K367 E370 | P224-R256 HydrophobicContact CB-CB 4.45Å; V252-R256 WeakPolarHBondContact O-CB 3Å; V252-R256 PolarHBondContact O-N 2.71Å; A253-R256 PolarHBondContact O-N 3.17Å; R256-I259 PolarHBondContact O-N 3.47Å; R256-I260 HydrophobicContact CG-CD1 3.82Å; R256-I260 HydrophobicContact CG-CG1 4.46Å; R256-I260 WeakPolarHBondContact O-CB 3.35Å; R256-I260 WeakPolarHBondContact O-CG1 3.38Å; R256-I260 PolarHBondContact O-N 2.87Å; R256-K367 PolarHBondContact NH2-O 2.89Å; R256-E370 IonicContact CZ-OE2 3.66Å; R256-E370 IonicContact NE-OE2 2.7Å; R256-E370 PolarHBondContact NE-OE2 3.04Å; R256-E370 IonicContact NH2-OE2 3.73Å; R256-E370 PolarHBondContact NH2-OE2 3.48Å |
| 257 | K | 87 | Confident | 88.1 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 52% | 0.522 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.1 | -173.9 | 172.3 | -179.9 | 174.6 | 0 | 112.3 | A253 K254 Y255 I260 Q261 | A253-K257 PolarHBondContact O-N 3.49Å; K254-K257 PolarHBondContact O-N 3.47Å; Y255-K257 PolarHBondContact O-N 2.66Å; K257-I260 PolarHBondContact O-N 3.06Å; K257-Q261 WeakPolarHBondContact O-CG 3.45Å; K257-Q261 PolarHBondContact O-N 3.12Å |
| 258 | T | 87.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.5 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | K254 Y255 I260 Q261 Q262 | K254-T258 PolarHBondContact O-N 3.31Å; K254-T258 VanDerWaalsContact O-N 3.1Å; K254-T258 PolarHBondContact O-OG1 3.03Å; Y255-T258 WeakPolarHBondContact O-CB 3.23Å; Y255-T258 PolarHBondContact O-N 2.92Å; T258-I260 VanDerWaalsContact C-N 3.35Å; T258-I260 PolarHBondContact O-N 3.21Å; T258-Q261 PolarHBondContact O-N 3.46Å; T258-Q262 PolarHBondContact O-N 3.21Å |
| 259 | I | 88.6 | Confident | 89 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.9 | -60.8 | -64.2 | 0 | 0 | 0 | 111.4 | L218 L220 Y255 R256 Q261 Q262 L263 | L218-I259 HydrophobicContact CD2-CD1 3.61Å; L218-I259 HydrophobicContact CG-CD1 4.22Å; L220-I259 HydrophobicContact CB-CG2 4.24Å; L220-I259 HydrophobicContact CD2-CD1 3.8Å; L220-I259 HydrophobicContact CD2-CG2 4.26Å; Y255-I259 HydrophobicContact CD1-CG1 4.01Å; Y255-I259 HydrophobicContact CE1-CD1 4.06Å; Y255-I259 HydrophobicContact CE1-CG1 3.56Å; Y255-I259 HydrophobicContact CE2-CD1 4.22Å; Y255-I259 HydrophobicContact CE2-CG1 4.36Å; Y255-I259 WeakPolarHBondContact O-CG1 3.11Å; Y255-I259 PolarHBondContact O-N 2.84Å; R256-I259 PolarHBondContact O-N 3.47Å; I259-Q261 PolarHBondContact O-N 2.88Å; I259-Q262 PolarHBondContact O-N 3.25Å; I259-L263 HydrophobicContact CG2-CD1 3.87Å; I259-L263 HydrophobicContact CG2-CG 4.41Å; I259-L263 WeakPolarHBondContact O-CB 3.44Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.49Å |
| 260 | I | 90.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 174.9 | -75.6 | 172 | 0 | 0 | 0 | 110.8 | R256 K257 T258 Q262 L263 V264 E370 L371 | R256-I260 HydrophobicContact CG-CD1 3.82Å; R256-I260 HydrophobicContact CG-CG1 4.46Å; R256-I260 WeakPolarHBondContact O-CB 3.35Å; R256-I260 WeakPolarHBondContact O-CG1 3.38Å; R256-I260 PolarHBondContact O-N 2.87Å; K257-I260 PolarHBondContact O-N 3.06Å; T258-I260 VanDerWaalsContact C-N 3.35Å; T258-I260 PolarHBondContact O-N 3.21Å; I260-Q262 PolarHBondContact O-N 3.37Å; I260-L263 PolarHBondContact O-N 3.06Å; I260-V264 HydrophobicContact CG2-CG2 4.45Å; I260-V264 WeakPolarHBondContact O-CB 3.06Å; I260-V264 VanDerWaalsContact O-CG2 3.24Å; I260-V264 WeakPolarHBondContact O-CG2 3.35Å; I260-V264 PolarHBondContact O-N 3.36Å; I260-E370 HydrophobicContact CD1-CG 4.44Å; I260-L371 HydrophobicContact CB-CD1 4.47Å; I260-L371 HydrophobicContact CG1-CD1 4.31Å; I260-L371 HydrophobicContact CG2-CD1 4.08Å |
| 261 | Q | 91.3 | Very high | 90 | Very high | 103 Ų | 103 | 45 Ų | 45 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 179.5 | -71.7 | -179.7 | -56.2 | 0 | 0 | 112.7 | K257 T258 I259 S265 | K257-Q261 WeakPolarHBondContact O-CG 3.45Å; K257-Q261 PolarHBondContact O-N 3.12Å; T258-Q261 PolarHBondContact O-N 3.46Å; I259-Q261 PolarHBondContact O-N 2.88Å; Q261-S265 WeakPolarHBondContact O-CB 3.44Å; Q261-S265 PolarHBondContact O-N 3.34Å |
| 262 | Q | 90.6 | Very high | 90.3 | Very high | 72 Ų | 72 | 49 Ų | 49 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.9 | -51 | 173 | -73.9 | 177.2 | -44.5 | 0 | 0 | 111.4 | L220 T258 I259 I260 V264 S265 S266 | L220-Q262 HydrophobicContact CD2-CB 4.13Å; T258-Q262 PolarHBondContact O-N 3.21Å; I259-Q262 PolarHBondContact O-N 3.25Å; I260-Q262 PolarHBondContact O-N 3.37Å; Q262-V264 VanDerWaalsContact C-N 3.31Å; Q262-V264 PolarHBondContact O-N 3.37Å; Q262-S265 PolarHBondContact O-N 3.24Å; Q262-S265 VanDerWaalsContact O-N 3.16Å; Q262-S266 PolarHBondContact O-N 3.19Å; Q262-S266 PolarHBondContact O-OG 3.13Å; Q262-S266 VanDerWaalsContact O-OG 3.12Å |
| 263 | L | 92 | Very high | 91 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -40.2 | 177.8 | -77.2 | 169.4 | 0 | 0 | 0 | 112.8 | L220 L222 I259 I260 T267 Q348 I349 I352 L371 | L220-L263 HydrophobicContact CB-CD1 4.28Å; L220-L263 HydrophobicContact CB-CD2 3.72Å; L220-L263 HydrophobicContact CB-CG 3.95Å; L220-L263 HydrophobicContact CD1-CD2 3.83Å; L220-L263 HydrophobicContact CD1-CG 4.23Å; L220-L263 HydrophobicContact CG-CD2 4.41Å; L222-L263 HydrophobicContact CD2-CD1 3.52Å; L222-L263 HydrophobicContact CG-CD1 3.84Å; I259-L263 HydrophobicContact CG2-CD1 3.87Å; I259-L263 HydrophobicContact CG2-CG 4.41Å; I259-L263 WeakPolarHBondContact O-CB 3.44Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.49Å; I260-L263 PolarHBondContact O-N 3.06Å; L263-T267 WeakPolarHBondContact O-CB 3.37Å; L263-T267 PolarHBondContact O-N 3.41Å; L263-T267 PolarHBondContact O-OG1 2.87Å; L263-Q348 HydrophobicContact CD2-CB 4.24Å; L263-I349 HydrophobicContact CD2-CG1 4.25Å; L263-I352 HydrophobicContact CB-CD1 4.09Å; L263-I352 HydrophobicContact CD1-CD1 4.22Å; L263-I352 HydrophobicContact CD2-CD1 3.99Å; L263-I352 HydrophobicContact CG-CD1 4.34Å; L263-L371 HydrophobicContact CB-CD1 4.41Å |
| 264 | V | 93.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -50.2 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | I260 Q262 T267 Q268 L371 Q374 F375 | I260-V264 HydrophobicContact CG2-CG2 4.45Å; I260-V264 WeakPolarHBondContact O-CB 3.06Å; I260-V264 VanDerWaalsContact O-CG2 3.24Å; I260-V264 WeakPolarHBondContact O-CG2 3.35Å; I260-V264 PolarHBondContact O-N 3.36Å; Q262-V264 VanDerWaalsContact C-N 3.31Å; Q262-V264 PolarHBondContact O-N 3.37Å; V264-T267 PolarHBondContact O-N 2.99Å; V264-Q268 HydrophobicContact CG1-CG 4.36Å; V264-Q268 WeakPolarHBondContact O-CB 3.34Å; V264-Q268 VanDerWaalsContact O-CG 3.29Å; V264-Q268 WeakPolarHBondContact O-CG 3.33Å; V264-Q268 PolarHBondContact O-N 3.06Å; V264-L371 HydrophobicContact CG2-CD1 4.02Å; V264-Q374 HydrophobicContact CG1-CB 4.24Å; V264-Q374 HydrophobicContact CG2-CB 3.99Å; V264-F375 HydrophobicContact CB-CZ 4.23Å; V264-F375 HydrophobicContact CG1-CE1 4.33Å; V264-F375 HydrophobicContact CG1-CZ 4.3Å; V264-F375 HydrophobicContact CG2-CE2 3.83Å; V264-F375 HydrophobicContact CG2-CZ 3.96Å |
| 265 | S | 93.1 | Very high | 91.8 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.3 | -54.3 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | Q261 Q262 T267 Q268 Q269 | Q261-S265 WeakPolarHBondContact O-CB 3.44Å; Q261-S265 PolarHBondContact O-N 3.34Å; Q262-S265 PolarHBondContact O-N 3.24Å; Q262-S265 VanDerWaalsContact O-N 3.16Å; S265-T267 PolarHBondContact O-N 2.8Å; S265-Q268 PolarHBondContact O-N 3.31Å; S265-Q269 WeakPolarHBondContact O-CG 3.44Å; S265-Q269 PolarHBondContact O-N 3.36Å; S265-Q269 VanDerWaalsContact O-N 3.1Å; S265-Q269 PolarHBondContact OG-NE2 3.03Å |
| 266 | S | 92.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 179.9 | -50.1 | 0 | 0 | 0 | 0 | 110.9 | Q262 Q268 Q269 F270 | Q262-S266 PolarHBondContact O-N 3.19Å; Q262-S266 PolarHBondContact O-OG 3.13Å; Q262-S266 VanDerWaalsContact O-OG 3.12Å; S266-Q268 PolarHBondContact O-N 2.79Å; S266-Q269 WeakPolarHBondContact O-CB 3.48Å; S266-Q269 PolarHBondContact O-N 3.04Å; S266-Q269 VanDerWaalsContact O-N 3.16Å; S266-F270 WeakPolarHBondContact O-CD2 3.47Å; S266-F270 PolarHBondContact O-N 3.46Å; S266-F270 VanDerWaalsContact O-N 3.1Å |
| 267 | T | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | L263 V264 S265 Q269 F270 V271 I352 L353 L356 F375 | L263-T267 WeakPolarHBondContact O-CB 3.37Å; L263-T267 PolarHBondContact O-N 3.41Å; L263-T267 PolarHBondContact O-OG1 2.87Å; V264-T267 PolarHBondContact O-N 2.99Å; S265-T267 PolarHBondContact O-N 2.8Å; T267-Q269 VanDerWaalsContact C-N 3.33Å; T267-Q269 PolarHBondContact O-N 3.46Å; T267-F270 PolarHBondContact O-N 2.96Å; T267-V271 WeakPolarHBondContact O-CG2 3.36Å; T267-V271 PolarHBondContact O-N 3.37Å; T267-I352 HydrophobicContact CG2-CG2 3.96Å; T267-L353 HydrophobicContact CG2-CG 4.06Å; T267-L356 HydrophobicContact CG2-CD1 4.2Å; T267-F375 HydrophobicContact CG2-CE1 3.71Å; T267-F375 HydrophobicContact CG2-CZ 3.91Å |
| 268 | Q | 93.9 | Very high | 92.9 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 174.6 | -75.8 | 176.2 | -3 | 0 | 0 | 112 | V264 S265 S266 V271 Q272 F375 | V264-Q268 HydrophobicContact CG1-CG 4.36Å; V264-Q268 WeakPolarHBondContact O-CB 3.34Å; V264-Q268 VanDerWaalsContact O-CG 3.29Å; V264-Q268 WeakPolarHBondContact O-CG 3.33Å; V264-Q268 PolarHBondContact O-N 3.06Å; S265-Q268 PolarHBondContact O-N 3.31Å; S266-Q268 PolarHBondContact O-N 2.79Å; Q268-V271 PolarHBondContact O-N 2.95Å; Q268-Q272 WeakPolarHBondContact O-CG 3.48Å; Q268-Q272 PolarHBondContact O-N 3.11Å; Q268-F375 HydrophobicContact CG-CD1 4.07Å; Q268-F375 HydrophobicContact CG-CE1 4.02Å |
| 269 | Q | 93.8 | Very high | 93 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 175.1 | -64.4 | 170.9 | 38.4 | 0 | 0 | 112.1 | R211 S265 S266 T267 Q272 S273 | R211-Q269 VanDerWaalsContact CD-OE1 3.28Å; S265-Q269 WeakPolarHBondContact O-CG 3.44Å; S265-Q269 PolarHBondContact O-N 3.36Å; S265-Q269 VanDerWaalsContact O-N 3.1Å; S265-Q269 PolarHBondContact OG-NE2 3.03Å; S266-Q269 WeakPolarHBondContact O-CB 3.48Å; S266-Q269 PolarHBondContact O-N 3.04Å; S266-Q269 VanDerWaalsContact O-N 3.16Å; T267-Q269 VanDerWaalsContact C-N 3.33Å; T267-Q269 PolarHBondContact O-N 3.46Å; Q269-Q272 PolarHBondContact O-N 3.34Å; Q269-S273 VanDerWaalsContact O-CB 3.29Å; Q269-S273 WeakPolarHBondContact O-CB 3.4Å; Q269-S273 PolarHBondContact O-N 3.2Å |
| 270 | F | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 172.1 | -86.5 | -102.4 | 0 | 0 | 0 | 111.4 | L205 P208 V209 S266 T267 Q272 S273 I274 I324 L346 I349 L353 | L205-F270 HydrophobicContact CD2-CD1 3.83Å; L205-F270 HydrophobicContact CD2-CE1 4.12Å; P208-F270 HydrophobicContact CB-CD1 4.01Å; P208-F270 HydrophobicContact CB-CD2 3.53Å; P208-F270 HydrophobicContact CB-CE1 3.97Å; P208-F270 HydrophobicContact CB-CE2 3.49Å; P208-F270 VanDerWaalsContact CB-CE2 3.49Å; P208-F270 HydrophobicContact CB-CG 3.8Å; P208-F270 HydrophobicContact CB-CZ 3.73Å; V209-F270 HydrophobicContact CB-CZ 4.45Å; V209-F270 HydrophobicContact CG2-CE1 3.69Å; V209-F270 HydrophobicContact CG2-CZ 3.64Å; S266-F270 WeakPolarHBondContact O-CD2 3.47Å; S266-F270 PolarHBondContact O-N 3.46Å; S266-F270 VanDerWaalsContact O-N 3.1Å; T267-F270 PolarHBondContact O-N 2.96Å; F270-Q272 PolarHBondContact O-N 3.32Å; F270-S273 PolarHBondContact O-N 3.26Å; F270-I274 WeakPolarHBondContact O-CB 3.43Å; F270-I274 WeakPolarHBondContact O-CD1 3.48Å; F270-I274 WeakPolarHBondContact O-CG1 3.42Å; F270-I274 PolarHBondContact O-N 3.42Å; F270-I324 HydrophobicContact CD1-CD1 3.83Å; F270-I324 HydrophobicContact CD1-CG1 4.05Å; F270-I324 HydrophobicContact CD1-CG2 4.45Å; F270-I324 HydrophobicContact CE1-CD1 4.21Å; F270-I324 HydrophobicContact CE1-CG1 3.94Å; F270-I324 HydrophobicContact CE1-CG2 3.9Å; F270-I324 HydrophobicContact CZ-CG2 4.45Å; F270-L346 HydrophobicContact CZ-CD2 3.94Å; F270-I349 HydrophobicContact CD2-CD1 4.34Å; F270-I349 HydrophobicContact CD2-CG2 4.16Å; F270-I349 HydrophobicContact CE2-CD1 4.1Å; F270-I349 HydrophobicContact CE2-CG2 4.44Å; F270-I349 HydrophobicContact CG-CG2 4.25Å; F270-L353 HydrophobicContact CB-CD1 4.17Å |
| 271 | V | 94.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 177.2 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | T267 Q268 K275 L353 P379 V380 | T267-V271 WeakPolarHBondContact O-CG2 3.36Å; T267-V271 PolarHBondContact O-N 3.37Å; Q268-V271 PolarHBondContact O-N 2.95Å; V271-K275 HydrophobicContact CG1-CD 4.07Å; V271-K275 WeakPolarHBondContact O-CB 3.36Å; V271-K275 WeakPolarHBondContact O-CG 3.38Å; V271-K275 PolarHBondContact O-N 3.43Å; V271-L353 HydrophobicContact CG2-CD2 3.72Å; V271-P379 WeakPolarHBondContact CG1-O 3.11Å; V271-V380 HydrophobicContact CG2-CG2 4.39Å |
| 272 | Q | 93.9 | Very high | 93.2 | Very high | 128 Ų | 128 | 39.4 Ų | 39.4 | 60% | 0.598 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.1 | -44.3 | 178.5 | -73.8 | 173.1 | -6.9 | 0 | 0 | 112 | Q268 Q269 F270 K275 A276 | Q268-Q272 WeakPolarHBondContact O-CG 3.48Å; Q268-Q272 PolarHBondContact O-N 3.11Å; Q269-Q272 PolarHBondContact O-N 3.34Å; F270-Q272 PolarHBondContact O-N 3.32Å; Q272-K275 PolarHBondContact O-N 3.22Å; Q272-A276 PolarHBondContact O-N 2.84Å |
| 273 | S | 95.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.2 | -166 | 0 | 0 | 0 | 0 | 111.9 | A204 P208 Q269 F270 K275 A276 S277 | A204-S273 WeakPolarHBondContact O-CB 3.4Å; A204-S273 PolarHBondContact O-OG 3.46Å; P208-S273 WeakPolarHBondContact CG-OG 3.28Å; Q269-S273 VanDerWaalsContact O-CB 3.29Å; Q269-S273 WeakPolarHBondContact O-CB 3.4Å; Q269-S273 PolarHBondContact O-N 3.2Å; F270-S273 PolarHBondContact O-N 3.26Å; S273-K275 PolarHBondContact O-N 3.02Å; S273-A276 PolarHBondContact O-N 3.16Å; S273-S277 PolarHBondContact O-N 2.89Å; S273-S277 VanDerWaalsContact O-N 3.1Å; S273-S277 PolarHBondContact O-OG 3.35Å |
| 274 | I | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.4 | -66.2 | 161.3 | 0 | 0 | 0 | 111.2 | A204 L205 F270 S277 L278 L320 I383 | A204-I274 HydrophobicContact CB-CG1 4.16Å; L205-I274 HydrophobicContact CD2-CD1 4.1Å; L205-I274 HydrophobicContact CD2-CG1 4.01Å; F270-I274 WeakPolarHBondContact O-CB 3.43Å; F270-I274 WeakPolarHBondContact O-CD1 3.48Å; F270-I274 WeakPolarHBondContact O-CG1 3.42Å; F270-I274 PolarHBondContact O-N 3.42Å; I274-S277 PolarHBondContact O-N 3.19Å; I274-L278 HydrophobicContact CG2-CD2 4.37Å; I274-L278 VanDerWaalsContact O-CD2 3.32Å; I274-L278 WeakPolarHBondContact O-CD2 3.25Å; I274-L278 WeakPolarHBondContact O-CG 3.24Å; I274-L278 PolarHBondContact O-N 3.17Å; I274-L320 HydrophobicContact CD1-CD1 4.42Å; I274-L320 HydrophobicContact CG2-CD1 4.22Å; I274-I383 HydrophobicContact CG2-CD1 4.01Å; I274-I383 HydrophobicContact CG2-CG2 4.45Å |
| 275 | K | 93.1 | Very high | 92.9 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.3 | -40 | 177.3 | -79.9 | 174 | 174.7 | 175.6 | 0 | 112.6 | V271 Q272 S273 L278 P379 I383 | V271-K275 HydrophobicContact CG1-CD 4.07Å; V271-K275 WeakPolarHBondContact O-CB 3.36Å; V271-K275 WeakPolarHBondContact O-CG 3.38Å; V271-K275 PolarHBondContact O-N 3.43Å; Q272-K275 PolarHBondContact O-N 3.22Å; S273-K275 PolarHBondContact O-N 3.02Å; K275-L278 WeakPolarHBondContact O-CG 3.33Å; K275-P379 VanDerWaalsContact CE-O 3.25Å; K275-P379 WeakPolarHBondContact CE-O 3.17Å; K275-P379 PolarHBondContact NZ-O 3.42Å; K275-I383 HydrophobicContact CD-CG1 4.41Å; K275-I383 HydrophobicContact CG-CD1 3.9Å; K275-I383 HydrophobicContact CG-CG1 3.65Å |
| 276 | A | 93.5 | Very high | 92.8 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 59% | 0.587 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -66.3 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q272 S273 L278 H279 | Q272-A276 PolarHBondContact O-N 2.84Å; S273-A276 PolarHBondContact O-N 3.16Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 3.18Å; A276-H279 PolarHBondContact O-ND1 3.48Å |
| 277 | S | 94.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -78.2 | 0.2 | -178.2 | -72.9 | 0 | 0 | 0 | 0 | 115.9 | F200 S203 A204 S273 I274 H279 C280 | F200-S277 WeakPolarHBondContact CD2-O 3.38Å; F200-S277 WeakPolarHBondContact CE2-O 3.37Å; S203-S277 VanDerWaalsContact C-OG 3.22Å; S203-S277 WeakPolarHBondContact CB-OG 3.44Å; S203-S277 PolarHBondContact O-OG 3.03Å; S203-S277 WeakPolarHBondContact OG-CB 3.45Å; S203-S277 PolarHBondContact OG-OG 3.22Å; A204-S277 WeakPolarHBondContact CA-OG 3.39Å; A204-S277 PolarHBondContact N-OG 3.31Å; S273-S277 PolarHBondContact O-N 2.89Å; S273-S277 VanDerWaalsContact O-N 3.1Å; S273-S277 PolarHBondContact O-OG 3.35Å; I274-S277 PolarHBondContact O-N 3.19Å; S277-H279 PolarHBondContact O-N 2.98Å; S277-C280 PolarHBondContact O-N 2.91Å; S277-C280 VanDerWaalsContact O-N 3.15Å; S277-C280 PolarHBondContact O-SG 3.37Å |
| 278 | L | 91.7 | Very high | 92.6 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.141 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.1 | -17.7 | -176.9 | -61.1 | -177.8 | 0 | 0 | 0 | 114.3 | F200 I274 K275 A276 C280 F281 I383 I387 | F200-L278 HydrophobicContact CE2-CD2 4.26Å; F200-L278 HydrophobicContact CZ-CD2 4.38Å; I274-L278 HydrophobicContact CG2-CD2 4.37Å; I274-L278 VanDerWaalsContact O-CD2 3.32Å; I274-L278 WeakPolarHBondContact O-CD2 3.25Å; I274-L278 WeakPolarHBondContact O-CG 3.24Å; I274-L278 PolarHBondContact O-N 3.17Å; K275-L278 WeakPolarHBondContact O-CG 3.33Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 3.18Å; L278-C280 PolarHBondContact O-N 2.74Å; L278-F281 WeakPolarHBondContact O-CB 3.35Å; L278-F281 PolarHBondContact O-N 3.14Å; L278-I383 HydrophobicContact CD1-CB 4.43Å; L278-I383 HydrophobicContact CD1-CG1 4.4Å; L278-I383 HydrophobicContact CD1-CG2 4Å; L278-I383 HydrophobicContact CD2-CG2 3.69Å; L278-I383 HydrophobicContact CG-CG2 4.49Å; L278-I387 HydrophobicContact CD2-CD1 4.49Å |
| 279 | H | 88.8 | Confident | 92.5 | Very high | 159 Ų | 159 | 34.4 Ų | 34.4 | 74% | 0.736 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -63.4 | -26.5 | 176.1 | 67.9 | -91.7 | 0 | 0 | 0 | 113.4 | A276 S277 | A276-H279 PolarHBondContact O-ND1 3.48Å; S277-H279 PolarHBondContact O-N 2.98Å |
| 280 | C | 90.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 35 Ų | 35 | 28% | 0.277 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -107.2 | 13.1 | 178.9 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | S203 S277 L278 | S203-C280 PolarHBondContact OG-SG 3.43Å; S203-C280 VanDerWaalsContact OG-SG 3.35Å; S277-C280 PolarHBondContact O-N 2.91Å; S277-C280 VanDerWaalsContact O-N 3.15Å; S277-C280 PolarHBondContact O-SG 3.37Å; L278-C280 PolarHBondContact O-N 2.74Å |
| 281 | F | 92.6 | Very high | 92 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | trans | -58.8 | 135.6 | 178.7 | -173.4 | -84.3 | 0 | 0 | 0 | 111.5 | F200 L278 P283 L285 A286 L289 F319 I387 | F200-F281 HydrophobicContact CD1-CD2 4.22Å; F200-F281 HydrophobicContact CD2-CB 4.28Å; F200-F281 HydrophobicContact CD2-CD2 4.35Å; F200-F281 AromaticContact CE1-CD2 3.8Å; F200-F281 HydrophobicContact CE1-CD2 3.8Å; F200-F281 HydrophobicContact CE1-CE2 4.11Å; F200-F281 HydrophobicContact CE2-CB 4.32Å; F200-F281 AromaticContact CE2-CD2 3.97Å; F200-F281 HydrophobicContact CE2-CD2 3.97Å; F200-F281 HydrophobicContact CG-CD2 4.48Å; F200-F281 AromaticContact CZ-CD2 3.68Å; F200-F281 HydrophobicContact CZ-CD2 3.68Å; F200-F281 HydrophobicContact CZ-CE2 4.3Å; L278-F281 WeakPolarHBondContact O-CB 3.35Å; L278-F281 PolarHBondContact O-N 3.14Å; F281-P283 WeakPolarHBondContact O-CD 3.46Å; F281-L285 HydrophobicContact CE1-CB 4.05Å; F281-L285 HydrophobicContact CZ-CB 4.42Å; F281-A286 HydrophobicContact CD1-CB 4Å; F281-A286 HydrophobicContact CE1-CB 4.05Å; F281-L289 HydrophobicContact CE1-CD1 4.24Å; F281-L289 HydrophobicContact CZ-CD1 4.07Å; F281-F319 HydrophobicContact CE2-CD1 4.49Å; F281-F319 AromaticContact CE2-CE1 3.9Å; F281-F319 HydrophobicContact CE2-CE1 3.9Å; F281-F319 HydrophobicContact CZ-CE1 4.29Å; F281-I387 HydrophobicContact CD1-CG1 4.39Å; F281-I387 HydrophobicContact CD1-CG2 4.09Å; F281-I387 HydrophobicContact CD2-CD1 3.86Å; F281-I387 HydrophobicContact CD2-CG1 4.27Å; F281-I387 HydrophobicContact CE1-CD1 4.4Å; F281-I387 HydrophobicContact CE1-CG2 3.75Å; F281-I387 HydrophobicContact CE2-CD1 3.62Å; F281-I387 HydrophobicContact CE2-CG1 4.39Å; F281-I387 HydrophobicContact CG-CD1 4.34Å; F281-I387 HydrophobicContact CG-CG1 4.28Å; F281-I387 HydrophobicContact CZ-CD1 3.92Å; F281-I387 HydrophobicContact CZ-CG2 4.17Å | ||
| 282 | P | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -56.5 | 118.9 | -171.3 | -28.5 | 36.2 | 0 | 0 | 0 | 114.2 | V197 F200 S284 L285 A286 | V197-P282 HydrophobicContact CB-CG 4.4Å; V197-P282 HydrophobicContact CG2-CB 4.38Å; V197-P282 HydrophobicContact CG2-CG 3.7Å; F200-P282 HydrophobicContact CB-CG 4.49Å; P282-S284 VanDerWaalsContact C-N 3.31Å; P282-S284 PolarHBondContact O-N 3.32Å; P282-L285 HydrophobicContact CB-CB 4.11Å; P282-L285 HydrophobicContact CB-CD1 4.04Å; P282-L285 HydrophobicContact CB-CG 3.93Å; P282-L285 HydrophobicContact CG-CD1 4.11Å; P282-L285 PolarHBondContact O-N 3.44Å; P282-L285 VanDerWaalsContact O-N 3.17Å; P282-A286 PolarHBondContact O-N 2.94Å | ||
| 283 | P | 88.3 | Confident | 91.5 | Very high | 68 Ų | 68 | 32.4 Ų | 32.4 | 44% | 0.442 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.3 | -36.8 | -175.7 | -27.6 | 35.8 | 0 | 0 | 0 | 114.1 | F281 A286 W287 I401 | F281-P283 WeakPolarHBondContact O-CD 3.46Å; P283-A286 PolarHBondContact O-N 2.91Å; P283-W287 WeakPolarHBondContact O-CB 3.35Å; P283-W287 PolarHBondContact O-N 3.29Å; P283-I401 HydrophobicContact CB-CD1 4.43Å; P283-I401 HydrophobicContact CB-CG2 4.21Å |
| 284 | S | 88.8 | Confident | 91.1 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -38.4 | 177.9 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | E149 P282 W287 L288 Y402 | E149-S284 WeakPolarHBondContact OE1-CB 3.26Å; E149-S284 PolarHBondContact OE1-OG 2.87Å; P282-S284 VanDerWaalsContact C-N 3.31Å; P282-S284 PolarHBondContact O-N 3.32Å; S284-W287 PolarHBondContact O-N 3.11Å; S284-L288 WeakPolarHBondContact O-CB 3.32Å; S284-L288 PolarHBondContact O-N 2.91Å; S284-Y402 VanDerWaalsContact CB-OH 3.3Å; S284-Y402 WeakPolarHBondContact CB-OH 3.44Å |
| 285 | L | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.1 | -39.4 | 171.4 | -59.7 | -173.8 | 0 | 0 | 0 | 112.1 | Y187 L190 I191 L194 V197 F281 P282 W287 L288 L289 F319 | Y187-L285 HydrophobicContact CE2-CD2 4.14Å; L190-L285 HydrophobicContact CD2-CD2 3.8Å; I191-L285 HydrophobicContact CG1-CD1 4.16Å; L194-L285 HydrophobicContact CD1-CD2 4.38Å; L194-L285 HydrophobicContact CD1-CG 4.38Å; V197-L285 HydrophobicContact CG2-CD1 3.62Å; F281-L285 HydrophobicContact CE1-CB 4.05Å; F281-L285 HydrophobicContact CZ-CB 4.42Å; P282-L285 HydrophobicContact CB-CB 4.11Å; P282-L285 HydrophobicContact CB-CD1 4.04Å; P282-L285 HydrophobicContact CB-CG 3.93Å; P282-L285 HydrophobicContact CG-CD1 4.11Å; P282-L285 PolarHBondContact O-N 3.44Å; P282-L285 VanDerWaalsContact O-N 3.17Å; L285-W287 VanDerWaalsContact C-N 3.3Å; L285-W287 PolarHBondContact O-N 3.36Å; L285-L288 HydrophobicContact CD2-CD1 4.31Å; L285-L288 WeakPolarHBondContact O-CB 3.41Å; L285-L288 PolarHBondContact O-N 3.46Å; L285-L289 WeakPolarHBondContact O-CB 3.44Å; L285-L289 WeakPolarHBondContact O-CG 3.45Å; L285-L289 PolarHBondContact O-N 2.88Å; L285-F319 HydrophobicContact CD1-CE1 4.34Å |
| 286 | A | 91.3 | Very high | 90.3 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F281 P282 P283 R290 I387 | F281-A286 HydrophobicContact CD1-CB 4Å; F281-A286 HydrophobicContact CE1-CB 4.05Å; P282-A286 PolarHBondContact O-N 2.94Å; P283-A286 PolarHBondContact O-N 2.91Å; A286-R290 WeakPolarHBondContact O-CG 3.37Å; A286-R290 PolarHBondContact O-N 2.89Å; A286-R290 PolarHBondContact O-NE 2.98Å; A286-I387 HydrophobicContact CB-CG2 4.09Å |
| 287 | W | 91.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 11% | 0.106 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -48.1 | 169.9 | -176.7 | 93.7 | 0 | 0 | 0 | 111.3 | V153 P283 S284 L285 L289 R290 Q291 L398 I401 | V153-W287 HydrophobicContact CG1-CE3 3.76Å; V153-W287 HydrophobicContact CG1-CZ3 3.69Å; P283-W287 WeakPolarHBondContact O-CB 3.35Å; P283-W287 PolarHBondContact O-N 3.29Å; S284-W287 PolarHBondContact O-N 3.11Å; L285-W287 VanDerWaalsContact C-N 3.3Å; L285-W287 PolarHBondContact O-N 3.36Å; W287-L289 VanDerWaalsContact C-N 3.33Å; W287-L289 PolarHBondContact O-N 3.48Å; W287-R290 PolarHBondContact O-N 2.94Å; W287-Q291 HydrophobicContact CD2-CG 3.73Å; W287-Q291 HydrophobicContact CE3-CG 3.8Å; W287-Q291 HydrophobicContact CG-CG 4.5Å; W287-Q291 HydrophobicContact CH2-CG 3.76Å; W287-Q291 HydrophobicContact CZ2-CG 3.66Å; W287-Q291 HydrophobicContact CZ3-CG 3.82Å; W287-Q291 WeakPolarHBondContact O-CG 3.46Å; W287-Q291 PolarHBondContact O-N 2.93Å; W287-L398 HydrophobicContact CD2-CD1 3.81Å; W287-L398 HydrophobicContact CE3-CD1 3.86Å; W287-L398 HydrophobicContact CG-CD1 4.26Å; W287-L398 HydrophobicContact CH2-CB 4.44Å; W287-L398 HydrophobicContact CH2-CD1 4.38Å; W287-L398 HydrophobicContact CH2-CD2 4.09Å; W287-L398 HydrophobicContact CZ2-CB 3.93Å; W287-L398 HydrophobicContact CZ2-CD1 4.35Å; W287-L398 HydrophobicContact CZ2-CD2 4.41Å; W287-L398 HydrophobicContact CZ2-CG 4.47Å; W287-L398 HydrophobicContact CZ3-CD1 4.15Å; W287-L398 HydrophobicContact CZ3-CD2 4.31Å; W287-I401 HydrophobicContact CB-CD1 4.04Å; W287-I401 HydrophobicContact CG-CD1 4.38Å |
| 288 | L | 91.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -43.8 | 176.5 | -98.8 | 163.7 | 0 | 0 | 0 | 112.9 | V153 L156 M160 L190 S284 L285 Q291 L292 | V153-L288 HydrophobicContact CG1-CD1 4.07Å; V153-L288 HydrophobicContact CG1-CG 4.08Å; V153-L288 HydrophobicContact CG2-CD1 4.21Å; L156-L288 HydrophobicContact CB-CD1 4.49Å; L156-L288 HydrophobicContact CB-CD2 4.1Å; L156-L288 HydrophobicContact CD1-CD1 4.18Å; M160-L288 HydrophobicContact CE-CD2 3.98Å; M160-L288 HydrophobicContact SD-CD2 3.36Å; M160-L288 WeakPolarHBondContact SD-CD2 3.18Å; L190-L288 HydrophobicContact CD2-CD1 4.19Å; S284-L288 WeakPolarHBondContact O-CB 3.32Å; S284-L288 PolarHBondContact O-N 2.91Å; L285-L288 HydrophobicContact CD2-CD1 4.31Å; L285-L288 WeakPolarHBondContact O-CB 3.41Å; L285-L288 PolarHBondContact O-N 3.46Å; L288-Q291 PolarHBondContact O-N 3.35Å; L288-L292 PolarHBondContact O-N 2.89Å |
| 289 | L | 91.7 | Very high | 89 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 176 | -76.1 | 162.5 | 0 | 0 | 0 | 112.2 | F281 L285 W287 Q291 L292 H293 C311 L314 V315 I387 L388 | F281-L289 HydrophobicContact CE1-CD1 4.24Å; F281-L289 HydrophobicContact CZ-CD1 4.07Å; L285-L289 WeakPolarHBondContact O-CB 3.44Å; L285-L289 WeakPolarHBondContact O-CG 3.45Å; L285-L289 PolarHBondContact O-N 2.88Å; W287-L289 VanDerWaalsContact C-N 3.33Å; W287-L289 PolarHBondContact O-N 3.48Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 2.94Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.09Å; L289-H293 PolarHBondContact O-N 3.5Å; L289-C311 HydrophobicContact CD2-CB 4.16Å; L289-L314 HydrophobicContact CD2-CB 4.16Å; L289-L314 HydrophobicContact CD2-CD2 3.72Å; L289-L314 HydrophobicContact CD2-CG 4.5Å; L289-V315 HydrophobicContact CD1-CG2 3.63Å; L289-V315 HydrophobicContact CD2-CG2 3.95Å; L289-V315 HydrophobicContact CG-CG2 4.47Å; L289-I387 HydrophobicContact CD1-CG2 3.82Å; L289-L388 HydrophobicContact CB-CD2 4.22Å |
| 290 | R | 89.9 | Confident | 88.5 | Confident | 58 Ų | 58 | 35 Ų | 35 | 22% | 0.219 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 176.5 | -73.4 | 176.7 | -70.4 | 168.6 | -1.7 | 112 | A286 W287 G294 L388 | A286-R290 WeakPolarHBondContact O-CG 3.37Å; A286-R290 PolarHBondContact O-N 2.89Å; A286-R290 PolarHBondContact O-NE 2.98Å; W287-R290 PolarHBondContact O-N 2.94Å; R290-G294 PolarHBondContact O-N 3.38Å; R290-G294 VanDerWaalsContact O-N 3.1Å; R290-L388 WeakPolarHBondContact CD-O 3.28Å; R290-L388 HydrophobicContact CG-CD2 3.99Å |
| 291 | Q | 89.4 | Confident | 88.2 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 27% | 0.271 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 171.1 | -67.3 | -61.6 | -37.9 | 0 | 0 | 111.8 | W287 L288 L289 M295 | W287-Q291 HydrophobicContact CD2-CG 3.73Å; W287-Q291 HydrophobicContact CE3-CG 3.8Å; W287-Q291 HydrophobicContact CG-CG 4.5Å; W287-Q291 HydrophobicContact CH2-CG 3.76Å; W287-Q291 HydrophobicContact CZ2-CG 3.66Å; W287-Q291 HydrophobicContact CZ3-CG 3.82Å; W287-Q291 WeakPolarHBondContact O-CG 3.46Å; W287-Q291 PolarHBondContact O-N 2.93Å; L288-Q291 PolarHBondContact O-N 3.35Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 2.94Å; Q291-M295 WeakPolarHBondContact O-CB 3.26Å; Q291-M295 VanDerWaalsContact O-CG 3.24Å; Q291-M295 WeakPolarHBondContact O-CG 3.25Å; Q291-M295 PolarHBondContact O-N 3.07Å |
| 292 | L | 88.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -51.7 | 176.2 | -173.8 | 53.7 | 0 | 0 | 0 | 111 | M160 L164 L288 L289 M295 L296 V310 L314 | M160-L292 HydrophobicContact CE-CB 3.47Å; M160-L292 VanDerWaalsContact CE-CB 3.47Å; M160-L292 HydrophobicContact CE-CD1 3.78Å; M160-L292 HydrophobicContact CE-CD2 4.49Å; M160-L292 HydrophobicContact CE-CG 4.08Å; L164-L292 HydrophobicContact CD1-CD1 3.86Å; L288-L292 PolarHBondContact O-N 2.89Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.09Å; L292-M295 PolarHBondContact O-N 3.16Å; L292-L296 HydrophobicContact CD1-CD1 3.82Å; L292-L296 HydrophobicContact CD1-CD2 4.35Å; L292-L296 HydrophobicContact CD1-CG 3.94Å; L292-L296 HydrophobicContact CG-CD1 3.87Å; L292-L296 HydrophobicContact CG-CG 4.35Å; L292-L296 VanDerWaalsContact O-CG 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.31Å; L292-V310 HydrophobicContact CD2-CG1 4.04Å; L292-L314 HydrophobicContact CD2-CD2 3.98Å |
| 293 | H | 89.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 46 Ų | 46 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -51.5 | -177.7 | -164.9 | -86.3 | 0 | 0 | 0 | 112.2 | L289 M295 L296 R297 D308 L388 | L289-H293 PolarHBondContact O-N 3.5Å; H293-M295 VanDerWaalsContact C-N 3.31Å; H293-M295 PolarHBondContact O-N 3.45Å; H293-L296 PolarHBondContact O-N 3.33Å; H293-R297 VanDerWaalsContact O-CB 3.22Å; H293-R297 WeakPolarHBondContact O-CB 3.23Å; H293-R297 PolarHBondContact O-N 2.95Å; H293-D308 IonicContact CD2-OD1 3.19Å; H293-D308 IonicContact CE1-OD1 2.8Å; H293-D308 IonicContact NE2-OD1 2.7Å; H293-D308 PolarHBondContact NE2-OD1 3.28Å; H293-L388 HydrophobicContact CB-CD2 4.07Å |
| 294 | G | 88.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R290 Y298 | R290-G294 PolarHBondContact O-N 3.38Å; R290-G294 VanDerWaalsContact O-N 3.1Å; G294-Y298 WeakPolarHBondContact O-CB 3.49Å; G294-Y298 WeakPolarHBondContact O-CD2 3.3Å; G294-Y298 PolarHBondContact O-N 3.37Å |
| 295 | M | 86.1 | Confident | 87.3 | Confident | 22 Ų | 22 | 48 Ų | 48 | 11% | 0.108 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.7 | -43.8 | 178.4 | -81.2 | -160.1 | 58.9 | 0 | 0 | 113.7 | R161 V165 Q291 L292 H293 A299 A300 | R161-M295 HydrophobicContact CB-CE 3.77Å; R161-M295 HydrophobicContact CG-CE 3.47Å; R161-M295 VanDerWaalsContact CG-CE 3.47Å; R161-M295 HydrophobicContact CG-SD 3.69Å; R161-M295 PolarHBondContact NE-SD 3.49Å; V165-M295 HydrophobicContact CB-CE 4.03Å; V165-M295 HydrophobicContact CG1-CE 4.37Å; V165-M295 HydrophobicContact CG2-CB 4.13Å; V165-M295 HydrophobicContact CG2-CE 3.61Å; Q291-M295 WeakPolarHBondContact O-CB 3.26Å; Q291-M295 VanDerWaalsContact O-CG 3.24Å; Q291-M295 WeakPolarHBondContact O-CG 3.25Å; Q291-M295 PolarHBondContact O-N 3.07Å; L292-M295 PolarHBondContact O-N 3.16Å; H293-M295 VanDerWaalsContact C-N 3.31Å; H293-M295 PolarHBondContact O-N 3.45Å; M295-A299 WeakPolarHBondContact O-CA 3.43Å; M295-A299 VanDerWaalsContact O-CB 3.31Å; M295-A299 WeakPolarHBondContact O-CB 3.5Å; M295-A299 PolarHBondContact O-N 3.45Å; M295-A300 PolarHBondContact O-N 3.38Å; M295-A300 VanDerWaalsContact O-N 3.14Å |
| 296 | L | 85.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -64.9 | -42.4 | 176.2 | -65.3 | 175.5 | 0 | 0 | 0 | 110.8 | V165 L172 L292 H293 A300 K301 L302 C307 V310 | V165-L296 HydrophobicContact CG2-CD2 4.2Å; L172-L296 HydrophobicContact CD2-CD1 4.09Å; L172-L296 HydrophobicContact CD2-CD2 3.64Å; L292-L296 HydrophobicContact CD1-CD1 3.82Å; L292-L296 HydrophobicContact CD1-CD2 4.35Å; L292-L296 HydrophobicContact CD1-CG 3.94Å; L292-L296 HydrophobicContact CG-CD1 3.87Å; L292-L296 HydrophobicContact CG-CG 4.35Å; L292-L296 VanDerWaalsContact O-CG 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.31Å; H293-L296 PolarHBondContact O-N 3.33Å; L296-A300 HydrophobicContact CD2-CB 4.46Å; L296-A300 CarbonylContact O-C 3.58Å; L296-A300 WeakPolarHBondContact O-CB 3.15Å; L296-A300 PolarHBondContact O-N 3.35Å; L296-K301 PolarHBondContact O-N 3.17Å; L296-L302 HydrophobicContact CB-CD1 3.92Å; L296-L302 HydrophobicContact CD2-CD1 3.73Å; L296-L302 HydrophobicContact CG-CD1 4.26Å; L296-L302 PolarHBondContact O-N 3.04Å; L296-C307 HydrophobicContact CB-CB 4.41Å; L296-C307 VanDerWaalsContact CB-SG 3.51Å; L296-V310 HydrophobicContact CD1-CB 4Å; L296-V310 HydrophobicContact CD1-CG1 3.68Å; L296-V310 HydrophobicContact CD1-CG2 4.49Å |
| 297 | R | 85.8 | Confident | 86.7 | Confident | 112 Ų | 112 | 50.3 Ų | 50.3 | 42% | 0.423 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -67 | -46.2 | 179.7 | -172.7 | 175.9 | -175.4 | 146.9 | 2.3 | 113.5 | H293 K301 | H293-R297 VanDerWaalsContact O-CB 3.22Å; H293-R297 WeakPolarHBondContact O-CB 3.23Å; H293-R297 PolarHBondContact O-N 2.95Å; R297-K301 WeakPolarHBondContact O-CA 3.26Å |
| 298 | Y | 86.1 | Confident | 86.6 | Confident | 171 Ų | 171 | 51.5 Ų | 51.5 | 67% | 0.671 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -98 | -37 | -171.3 | -58.7 | -55.3 | 0 | 0 | 0 | 114.2 | G294 | G294-Y298 WeakPolarHBondContact O-CB 3.49Å; G294-Y298 WeakPolarHBondContact O-CD2 3.3Å; G294-Y298 PolarHBondContact O-N 3.37Å |
| 299 | A | 80 | Confident | 86.4 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -94.3 | -45.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V165 M295 | V165-A299 HydrophobicContact CG1-CB 3.78Å; M295-A299 WeakPolarHBondContact O-CA 3.43Å; M295-A299 VanDerWaalsContact O-CB 3.31Å; M295-A299 WeakPolarHBondContact O-CB 3.5Å; M295-A299 PolarHBondContact O-N 3.45Å |
| 300 | A | 79.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -81 | -18 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V165 M295 L296 L302 | V165-A300 HydrophobicContact CG1-CB 4.25Å; V165-A300 HydrophobicContact CG2-CB 4.35Å; M295-A300 PolarHBondContact O-N 3.38Å; M295-A300 VanDerWaalsContact O-N 3.14Å; L296-A300 HydrophobicContact CD2-CB 4.46Å; L296-A300 CarbonylContact O-C 3.58Å; L296-A300 WeakPolarHBondContact O-CB 3.15Å; L296-A300 PolarHBondContact O-N 3.35Å; A300-L302 VanDerWaalsContact C-N 3.29Å; A300-L302 HydrophobicContact CB-CD1 4.08Å; A300-L302 HydrophobicContact CB-CG 4.4Å; A300-L302 PolarHBondContact O-N 3.1Å |
| 301 | K | 83.9 | Confident | 86.3 | Confident | 177 Ų | 177 | 49.3 Ų | 49.3 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | trans | 60 | 32.7 | -178.4 | -55.6 | -177.8 | -179.5 | 180 | 0 | 114.2 | L296 R297 | L296-K301 PolarHBondContact O-N 3.17Å; R297-K301 WeakPolarHBondContact O-CA 3.26Å | ||
| 302 | L | 83.7 | Confident | 86.3 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | trans | -68.2 | 147.3 | 170.4 | -77.1 | 155.5 | 0 | 0 | 0 | 110.6 | L296 A300 D306 | L296-L302 HydrophobicContact CB-CD1 3.92Å; L296-L302 HydrophobicContact CD2-CD1 3.73Å; L296-L302 HydrophobicContact CG-CD1 4.26Å; L296-L302 PolarHBondContact O-N 3.04Å; A300-L302 VanDerWaalsContact C-N 3.29Å; A300-L302 HydrophobicContact CB-CD1 4.08Å; A300-L302 HydrophobicContact CB-CG 4.4Å; A300-L302 PolarHBondContact O-N 3.1Å; L302-D306 HydrophobicContact CD2-CB 4.21Å | ||
| 303 | P | 85.6 | Confident | 86.4 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | trans | -66.7 | 155.2 | 173.1 | 32.1 | -35.9 | 0 | 0 | 0 | 110.1 | S305 D306 C307 | P303-S305 VanDerWaalsContact C-N 3.27Å; P303-S305 PolarHBondContact O-N 3.22Å; P303-D306 HydrophobicContact CG-CB 4Å; P303-D306 WeakPolarHBondContact CG-OD2 3.09Å; P303-D306 PolarHBondContact O-N 3.35Å; P303-C307 PolarHBondContact O-N 3.42Å; P303-C307 PolarHBondContact O-SG 3.49Å | ||
| 304 | P | 85.6 | Confident | 86.4 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.9 | -39.5 | -174.1 | 22.6 | -33.2 | 0 | 0 | 0 | 112.6 | D306 C307 D308 | P304-D306 PolarHBondContact O-N 2.84Å; P304-D306 VanDerWaalsContact O-N 3.15Å; P304-C307 WeakPolarHBondContact O-CB 3.4Å; P304-C307 PolarHBondContact O-N 2.92Å; P304-C307 VanDerWaalsContact O-N 3.11Å; P304-D308 PolarHBondContact O-N 2.93Å |
| 305 | S | 86.9 | Confident | 86.7 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -47.9 | -42 | 174.2 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | P303 L309 W361 | P303-S305 VanDerWaalsContact C-N 3.27Å; P303-S305 PolarHBondContact O-N 3.22Å; S305-L309 VanDerWaalsContact O-CB 3.25Å; S305-L309 WeakPolarHBondContact O-CB 3.42Å; S305-L309 PolarHBondContact O-N 3.47Å; S305-W361 PolarHBondContact O-NE1 2.88Å |
| 306 | D | 85.3 | Confident | 87 | Confident | 61 Ų | 61 | 43.5 Ų | 43.5 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -84.8 | -30.4 | -172.1 | -59.5 | 16.3 | 0 | 0 | 0 | 109.9 | L302 P303 P304 V310 | L302-D306 HydrophobicContact CD2-CB 4.21Å; P303-D306 HydrophobicContact CG-CB 4Å; P303-D306 WeakPolarHBondContact CG-OD2 3.09Å; P303-D306 PolarHBondContact O-N 3.35Å; P304-D306 PolarHBondContact O-N 2.84Å; P304-D306 VanDerWaalsContact O-N 3.15Å; D306-V310 WeakPolarHBondContact O-CB 3.39Å; D306-V310 VanDerWaalsContact O-CG2 3.25Å; D306-V310 WeakPolarHBondContact O-CG2 3.49Å; D306-V310 PolarHBondContact O-N 2.86Å |
| 307 | C | 87.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 168.9 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | L296 P303 P304 V310 C311 | L296-C307 HydrophobicContact CB-CB 4.41Å; L296-C307 VanDerWaalsContact CB-SG 3.51Å; P303-C307 PolarHBondContact O-N 3.42Å; P303-C307 PolarHBondContact O-SG 3.49Å; P304-C307 WeakPolarHBondContact O-CB 3.4Å; P304-C307 PolarHBondContact O-N 2.92Å; P304-C307 VanDerWaalsContact O-N 3.11Å; C307-V310 PolarHBondContact O-N 3.45Å; C307-C311 PolarHBondContact O-N 3.07Å; C307-C311 PolarHBondContact O-SG 3.13Å |
| 308 | D | 88.3 | Confident | 87.2 | Confident | 53 Ų | 53 | 41.7 Ų | 41.7 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -47 | 177.2 | -63.5 | -34.8 | 0 | 0 | 0 | 110.5 | H293 P304 V310 C311 T312 W361 | H293-D308 IonicContact CD2-OD1 3.19Å; H293-D308 IonicContact CE1-OD1 2.8Å; H293-D308 IonicContact NE2-OD1 2.7Å; H293-D308 PolarHBondContact NE2-OD1 3.28Å; P304-D308 PolarHBondContact O-N 2.93Å; D308-V310 PolarHBondContact O-N 3.39Å; D308-C311 PolarHBondContact O-N 3.45Å; D308-T312 WeakPolarHBondContact O-CB 3.42Å; D308-T312 PolarHBondContact O-N 2.72Å; D308-T312 PolarHBondContact O-OG1 2.94Å; D308-W361 HydrophobicContact CB-CZ2 3.98Å |
| 309 | L | 87.9 | Confident | 87.6 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 174.7 | 173.3 | 58.3 | 0 | 0 | 0 | 112.7 | S305 T312 E313 V358 W361 | S305-L309 VanDerWaalsContact O-CB 3.25Å; S305-L309 WeakPolarHBondContact O-CB 3.42Å; S305-L309 PolarHBondContact O-N 3.47Å; L309-T312 PolarHBondContact O-N 2.66Å; L309-E313 HydrophobicContact CD1-CG 4.41Å; L309-E313 PolarHBondContact O-N 3.45Å; L309-V358 HydrophobicContact CD1-CG1 4.06Å; L309-W361 HydrophobicContact CB-CD2 3.93Å; L309-W361 HydrophobicContact CB-CE3 4.4Å; L309-W361 HydrophobicContact CB-CG 4.16Å; L309-W361 HydrophobicContact CB-CZ2 4.26Å; L309-W361 HydrophobicContact CD1-CB 4.12Å; L309-W361 HydrophobicContact CD1-CD2 3.86Å; L309-W361 HydrophobicContact CD1-CE3 3.75Å; L309-W361 HydrophobicContact CD1-CG 4.05Å; L309-W361 HydrophobicContact CD1-CZ3 4.43Å; L309-W361 HydrophobicContact CD2-CB 3.86Å; L309-W361 HydrophobicContact CD2-CD2 4.41Å; L309-W361 HydrophobicContact CD2-CG 3.86Å; L309-W361 HydrophobicContact CG-CD2 4.28Å; L309-W361 HydrophobicContact CG-CG 4.25Å |
| 310 | V | 88.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.2 | 165.4 | 0 | 0 | 0 | 0 | 111.7 | L172 R173 L176 L292 L296 D306 C307 D308 T312 E313 L314 | L172-V310 HydrophobicContact CD2-CG1 3.93Å; L172-V310 HydrophobicContact CD2-CG2 3.92Å; R173-V310 HydrophobicContact CG-CG2 4.41Å; L176-V310 HydrophobicContact CD1-CG1 4.01Å; L292-V310 HydrophobicContact CD2-CG1 4.04Å; L296-V310 HydrophobicContact CD1-CB 4Å; L296-V310 HydrophobicContact CD1-CG1 3.68Å; L296-V310 HydrophobicContact CD1-CG2 4.49Å; D306-V310 WeakPolarHBondContact O-CB 3.39Å; D306-V310 VanDerWaalsContact O-CG2 3.25Å; D306-V310 WeakPolarHBondContact O-CG2 3.49Å; D306-V310 PolarHBondContact O-N 2.86Å; C307-V310 PolarHBondContact O-N 3.45Å; D308-V310 PolarHBondContact O-N 3.39Å; V310-T312 VanDerWaalsContact C-N 3.3Å; V310-T312 PolarHBondContact O-N 3.03Å; V310-E313 PolarHBondContact O-N 3.19Å; V310-L314 PolarHBondContact O-N 3.37Å |
| 311 | C | 90.2 | Very high | 89 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | L289 C307 D308 L314 V315 V384 L388 | L289-C311 HydrophobicContact CD2-CB 4.16Å; C307-C311 PolarHBondContact O-N 3.07Å; C307-C311 PolarHBondContact O-SG 3.13Å; D308-C311 PolarHBondContact O-N 3.45Å; C311-L314 WeakPolarHBondContact O-CB 3.49Å; C311-L314 PolarHBondContact O-N 3.13Å; C311-V315 WeakPolarHBondContact O-CG2 3.32Å; C311-V315 PolarHBondContact O-N 3.34Å; C311-V384 HydrophobicContact CB-CG1 4.06Å; C311-L388 HydrophobicContact CB-CD1 4.47Å |
| 312 | T | 90.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.4 | -40.8 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 112 | D308 L309 V310 L314 V315 F316 A357 V384 | D308-T312 WeakPolarHBondContact O-CB 3.42Å; D308-T312 PolarHBondContact O-N 2.72Å; D308-T312 PolarHBondContact O-OG1 2.94Å; L309-T312 PolarHBondContact O-N 2.66Å; V310-T312 VanDerWaalsContact C-N 3.3Å; V310-T312 PolarHBondContact O-N 3.03Å; T312-L314 VanDerWaalsContact C-N 3.35Å; T312-V315 PolarHBondContact O-N 2.98Å; T312-F316 HydrophobicContact CG2-CD2 4.17Å; T312-F316 WeakPolarHBondContact O-CB 3.34Å; T312-F316 PolarHBondContact O-N 3.31Å; T312-A357 HydrophobicContact CG2-CB 3.92Å; T312-A357 WeakPolarHBondContact CG2-O 3.41Å; T312-V384 HydrophobicContact CG2-CG2 4.07Å |
| 313 | E | 89.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 168.5 | -72.5 | -164.8 | 156.1 | 0 | 0 | 111 | R173 R177 L309 V310 V315 T317 Y318 V358 | R173-E313 IonicContact CZ-OE1 3.54Å; R173-E313 IonicContact NE-OE1 2.95Å; R173-E313 PolarHBondContact NE-OE1 3.46Å; R173-E313 IonicContact NE-OE2 3.47Å; R173-E313 PolarHBondContact NE-OE2 3.21Å; R173-E313 IonicContact NH2-OE1 3.24Å; R173-E313 PolarHBondContact NH2-OE1 2.72Å; R177-E313 IonicContact CZ-OE1 3.22Å; R177-E313 IonicContact NE-OE1 2.77Å; R177-E313 PolarHBondContact NE-OE1 2.81Å; R177-E313 IonicContact NE-OE2 3.81Å; R177-E313 IonicContact NH2-OE1 3.69Å; R177-E313 PolarHBondContact NH2-OE1 2.85Å; L309-E313 HydrophobicContact CD1-CG 4.41Å; L309-E313 PolarHBondContact O-N 3.45Å; V310-E313 PolarHBondContact O-N 3.19Å; E313-V315 VanDerWaalsContact C-N 3.33Å; E313-V315 PolarHBondContact O-N 3.48Å; E313-T317 WeakPolarHBondContact O-CA 3.5Å; E313-T317 VanDerWaalsContact O-CB 3.24Å; E313-T317 WeakPolarHBondContact O-CB 3.28Å; E313-T317 PolarHBondContact O-N 3.2Å; E313-Y318 HydrophobicContact CB-CE2 4.22Å; E313-Y318 WeakPolarHBondContact O-CD2 3.47Å; E313-Y318 PolarHBondContact O-N 3.33Å; E313-V358 HydrophobicContact CG-CG2 4.24Å |
| 314 | L | 90.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -37.6 | 178.9 | -152.6 | 80 | 0 | 0 | 0 | 113.6 | L176 F183 Y187 L289 L292 V310 C311 T312 | L176-L314 HydrophobicContact CD2-CD1 4.36Å; F183-L314 HydrophobicContact CE1-CD1 4.08Å; F183-L314 HydrophobicContact CZ-CD1 4.28Å; Y187-L314 HydrophobicContact CD1-CD1 4.38Å; Y187-L314 HydrophobicContact CE1-CD1 3.95Å; Y187-L314 HydrophobicContact CE1-CD2 4.23Å; Y187-L314 HydrophobicContact CE1-CG 3.78Å; Y187-L314 HydrophobicContact CE2-CD2 3.9Å; Y187-L314 HydrophobicContact CE2-CG 4.37Å; Y187-L314 WeakPolarHBondContact OH-CG 3.28Å; Y187-L314 PolarHBondContact OH-O 3.43Å; L289-L314 HydrophobicContact CD2-CB 4.16Å; L289-L314 HydrophobicContact CD2-CD2 3.72Å; L289-L314 HydrophobicContact CD2-CG 4.5Å; L292-L314 HydrophobicContact CD2-CD2 3.98Å; V310-L314 PolarHBondContact O-N 3.37Å; C311-L314 WeakPolarHBondContact O-CB 3.49Å; C311-L314 PolarHBondContact O-N 3.13Å; T312-L314 VanDerWaalsContact C-N 3.35Å |
| 315 | V | 93 | Very high | 90.3 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -81.6 | -44.6 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | L289 C311 T312 E313 F319 L320 I387 | L289-V315 HydrophobicContact CD1-CG2 3.63Å; L289-V315 HydrophobicContact CD2-CG2 3.95Å; L289-V315 HydrophobicContact CG-CG2 4.47Å; C311-V315 WeakPolarHBondContact O-CG2 3.32Å; C311-V315 PolarHBondContact O-N 3.34Å; T312-V315 PolarHBondContact O-N 2.98Å; E313-V315 VanDerWaalsContact C-N 3.33Å; E313-V315 PolarHBondContact O-N 3.48Å; V315-F319 WeakPolarHBondContact O-CB 3.46Å; V315-L320 HydrophobicContact CG1-CD1 3.86Å; V315-L320 HydrophobicContact CG1-CG 4.49Å; V315-L320 PolarHBondContact O-N 3.02Å; V315-I387 HydrophobicContact CG1-CD1 4.49Å |
| 316 | F | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -91.2 | -47.9 | -174.2 | -75.5 | -87.9 | 0 | 0 | 0 | 113.3 | T312 L320 C321 L353 A357 V380 I383 V384 | T312-F316 HydrophobicContact CG2-CD2 4.17Å; T312-F316 WeakPolarHBondContact O-CB 3.34Å; T312-F316 PolarHBondContact O-N 3.31Å; F316-L320 HydrophobicContact CD1-CB 4.29Å; F316-L320 HydrophobicContact CD1-CD1 3.92Å; F316-L320 HydrophobicContact CE1-CD1 3.43Å; F316-L320 VanDerWaalsContact CE1-CD1 3.43Å; F316-L320 HydrophobicContact CE2-CD1 4.21Å; F316-L320 HydrophobicContact CG-CD1 4.48Å; F316-L320 HydrophobicContact CZ-CD1 3.56Å; F316-C321 WeakPolarHBondContact O-CB 3.33Å; F316-C321 PolarHBondContact O-N 3.3Å; F316-C321 PolarHBondContact O-SG 3.06Å; F316-L353 HydrophobicContact CE1-CD2 4.27Å; F316-A357 HydrophobicContact CB-CB 3.83Å; F316-A357 HydrophobicContact CD1-CB 4.26Å; F316-A357 HydrophobicContact CD2-CB 4.08Å; F316-A357 HydrophobicContact CG-CB 3.75Å; F316-V380 HydrophobicContact CD1-CG1 4.01Å; F316-V380 HydrophobicContact CD2-CG1 3.92Å; F316-V380 HydrophobicContact CE1-CG1 3.53Å; F316-V380 HydrophobicContact CE2-CG1 3.43Å; F316-V380 VanDerWaalsContact CE2-CG1 3.43Å; F316-V380 HydrophobicContact CG-CG1 4.21Å; F316-V380 HydrophobicContact CZ-CG1 3.24Å; F316-I383 HydrophobicContact CZ-CB 4.47Å; F316-I383 HydrophobicContact CZ-CD1 4Å; F316-I383 HydrophobicContact CZ-CG2 4.32Å; F316-V384 HydrophobicContact CD2-CG2 4.21Å; F316-V384 HydrophobicContact CE2-CG2 3.79Å |
| 317 | T | 89.1 | Confident | 90.1 | Very high | 21 Ų | 21 | 12.9 Ų | 12.9 | 13% | 0.129 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -74.3 | -35.3 | -176.4 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | E313 P322 Q354 | E313-T317 WeakPolarHBondContact O-CA 3.5Å; E313-T317 VanDerWaalsContact O-CB 3.24Å; E313-T317 WeakPolarHBondContact O-CB 3.28Å; E313-T317 PolarHBondContact O-N 3.2Å; T317-P322 WeakPolarHBondContact O-CD 3.43Å; T317-P322 VanDerWaalsContact O-CG 3.31Å; T317-P322 WeakPolarHBondContact O-CG 3.33Å; T317-Q354 PolarHBondContact OG1-NE2 3.09Å |
| 318 | Y | 87.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 14.7 Ų | 14.7 | 21% | 0.208 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -109.5 | -2.5 | -173 | -54.2 | -80.9 | 0 | 0 | 0 | 115 | L176 R177 E313 | L176-Y318 HydrophobicContact CB-CE2 3.96Å; L176-Y318 WeakPolarHBondContact O-CE1 3.45Å; L176-Y318 PolarHBondContact O-OH 3.18Å; R177-Y318 WeakPolarHBondContact CA-OH 3.32Å; R177-Y318 VanDerWaalsContact CG-OH 3.25Å; R177-Y318 WeakPolarHBondContact CG-OH 3.45Å; R177-Y318 PolarHBondContact N-OH 3.09Å; E313-Y318 HydrophobicContact CB-CE2 4.22Å; E313-Y318 WeakPolarHBondContact O-CD2 3.47Å; E313-Y318 PolarHBondContact O-N 3.33Å |
| 319 | F | 93.2 | Very high | 89 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -130.4 | -71 | -179.5 | 176 | -149.9 | 0 | 0 | 0 | 112 | I191 V197 F200 L201 F281 L285 V315 A323 | I191-F319 HydrophobicContact CD1-CB 3.97Å; I191-F319 HydrophobicContact CD1-CD2 4.15Å; I191-F319 HydrophobicContact CD1-CG 4.11Å; I191-F319 HydrophobicContact CG2-CD2 3.49Å; I191-F319 VanDerWaalsContact CG2-CD2 3.49Å; I191-F319 HydrophobicContact CG2-CE2 3.72Å; I191-F319 HydrophobicContact CG2-CG 4.44Å; V197-F319 HydrophobicContact CG1-CE2 3.56Å; V197-F319 HydrophobicContact CG1-CZ 3.93Å; V197-F319 HydrophobicContact CG2-CE2 4.39Å; V197-F319 HydrophobicContact CG2-CZ 4.19Å; F200-F319 HydrophobicContact CD1-CE1 4.09Å; F200-F319 AromaticContact CD1-CZ 3.81Å; F200-F319 HydrophobicContact CD1-CZ 3.81Å; F200-F319 AromaticContact CE1-CE1 3.98Å; F200-F319 HydrophobicContact CE1-CE1 3.98Å; F200-F319 HydrophobicContact CE1-CZ 4.08Å; L201-F319 HydrophobicContact CD1-CE2 3.89Å; L201-F319 HydrophobicContact CD2-CD2 4.36Å; L201-F319 HydrophobicContact CD2-CE2 3.64Å; L201-F319 HydrophobicContact CD2-CZ 4Å; L201-F319 HydrophobicContact CG-CE2 3.81Å; L201-F319 HydrophobicContact CG-CZ 4.19Å; F281-F319 HydrophobicContact CE2-CD1 4.49Å; F281-F319 AromaticContact CE2-CE1 3.9Å; F281-F319 HydrophobicContact CE2-CE1 3.9Å; F281-F319 HydrophobicContact CZ-CE1 4.29Å; L285-F319 HydrophobicContact CD1-CE1 4.34Å; V315-F319 WeakPolarHBondContact O-CB 3.46Å; F319-A323 WeakPolarHBondContact O-CB 3.34Å; F319-A323 PolarHBondContact O-N 3.13Å |
| 320 | L | 94.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -68.5 | -49.1 | -173.2 | -73.5 | 170.9 | 0 | 0 | 0 | 114.2 | F200 L201 I274 V315 F316 A323 I324 | F200-L320 HydrophobicContact CE1-CD2 3.93Å; F200-L320 HydrophobicContact CZ-CD2 4.45Å; L201-L320 HydrophobicContact CD2-CD2 4.09Å; I274-L320 HydrophobicContact CD1-CD1 4.42Å; I274-L320 HydrophobicContact CG2-CD1 4.22Å; V315-L320 HydrophobicContact CG1-CD1 3.86Å; V315-L320 HydrophobicContact CG1-CG 4.49Å; V315-L320 PolarHBondContact O-N 3.02Å; F316-L320 HydrophobicContact CD1-CB 4.29Å; F316-L320 HydrophobicContact CD1-CD1 3.92Å; F316-L320 HydrophobicContact CE1-CD1 3.43Å; F316-L320 VanDerWaalsContact CE1-CD1 3.43Å; F316-L320 HydrophobicContact CE2-CD1 4.21Å; F316-L320 HydrophobicContact CG-CD1 4.48Å; F316-L320 HydrophobicContact CZ-CD1 3.56Å; L320-A323 PolarHBondContact O-N 2.92Å; L320-I324 WeakPolarHBondContact O-CG1 3.32Å; L320-I324 PolarHBondContact O-N 3.41Å |
| 321 | C | 93.9 | Very high | 88.1 | Confident | 9 Ų | 9 | 13.9 Ų | 13.9 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.9 | -37.5 | -175.7 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | F316 I324 A325 G350 | F316-C321 WeakPolarHBondContact O-CB 3.33Å; F316-C321 PolarHBondContact O-N 3.3Å; F316-C321 PolarHBondContact O-SG 3.06Å; C321-I324 PolarHBondContact O-N 2.92Å; C321-A325 WeakPolarHBondContact O-CB 3.41Å; C321-A325 PolarHBondContact O-N 3.2Å; C321-G350 PolarHBondContact SG-O 3.32Å; C321-G350 VanDerWaalsContact SG-O 3.39Å |
| 322 | P | 90.8 | Very high | 87.8 | Confident | 44 Ų | 44 | 14.1 Ų | 14.1 | 29% | 0.286 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 167.1 | -27.1 | 36.1 | 0 | 0 | 0 | 113.2 | T317 I324 A325 T326 F330 | T317-P322 WeakPolarHBondContact O-CD 3.43Å; T317-P322 VanDerWaalsContact O-CG 3.31Å; T317-P322 WeakPolarHBondContact O-CG 3.33Å; P322-I324 VanDerWaalsContact C-N 3.32Å; P322-I324 PolarHBondContact O-N 2.73Å; P322-A325 PolarHBondContact O-N 2.69Å; P322-T326 PolarHBondContact O-N 2.9Å; P322-T326 PolarHBondContact O-OG1 2.56Å; P322-F330 HydrophobicContact CB-CE2 4.37Å; P322-F330 HydrophobicContact CB-CZ 4.34Å |
| 323 | A | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.9 | -32.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L201 L205 F319 L320 P327 F330 I332 | L201-A323 HydrophobicContact CD1-CB 3.82Å; L201-A323 HydrophobicContact CD2-CB 3.68Å; L201-A323 HydrophobicContact CG-CB 4.39Å; L205-A323 HydrophobicContact CD1-CB 4.02Å; F319-A323 WeakPolarHBondContact O-CB 3.34Å; F319-A323 PolarHBondContact O-N 3.13Å; L320-A323 PolarHBondContact O-N 2.92Å; A323-P327 WeakPolarHBondContact O-CA 3.4Å; A323-P327 WeakPolarHBondContact O-CB 3.43Å; A323-F330 HydrophobicContact CB-CD2 3.85Å; A323-F330 HydrophobicContact CB-CE2 4.05Å; A323-F330 HydrophobicContact CB-CG 4.1Å; A323-F330 HydrophobicContact CB-CZ 4.47Å; A323-I332 HydrophobicContact CB-CD1 4.25Å |
| 324 | I | 94.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.3 | -41 | 172.7 | -66.7 | 168.8 | 0 | 0 | 0 | 111.2 | L205 F270 L320 C321 P322 L346 I349 L353 | L205-I324 HydrophobicContact CD1-CG1 3.79Å; L205-I324 HydrophobicContact CD2-CD1 4.11Å; L205-I324 HydrophobicContact CD2-CG1 3.84Å; L205-I324 HydrophobicContact CG-CG1 4.46Å; F270-I324 HydrophobicContact CD1-CD1 3.83Å; F270-I324 HydrophobicContact CD1-CG1 4.05Å; F270-I324 HydrophobicContact CD1-CG2 4.45Å; F270-I324 HydrophobicContact CE1-CD1 4.21Å; F270-I324 HydrophobicContact CE1-CG1 3.94Å; F270-I324 HydrophobicContact CE1-CG2 3.9Å; F270-I324 HydrophobicContact CZ-CG2 4.45Å; L320-I324 WeakPolarHBondContact O-CG1 3.32Å; L320-I324 PolarHBondContact O-N 3.41Å; C321-I324 PolarHBondContact O-N 2.92Å; P322-I324 VanDerWaalsContact C-N 3.32Å; P322-I324 PolarHBondContact O-N 2.73Å; I324-L346 HydrophobicContact CG2-CD2 4.3Å; I324-L346 WeakPolarHBondContact O-CB 3.33Å; I324-I349 HydrophobicContact CG2-CG2 4.45Å; I324-L353 HydrophobicContact CD1-CD1 3.46Å; I324-L353 VanDerWaalsContact CD1-CD1 3.46Å |
| 325 | A | 89.5 | Confident | 84.6 | Confident | 21 Ų | 21 | 20.8 Ų | 20.8 | 17% | 0.174 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.3 | -34.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C321 P322 I347 | C321-A325 WeakPolarHBondContact O-CB 3.41Å; C321-A325 PolarHBondContact O-N 3.2Å; P322-A325 PolarHBondContact O-N 2.69Å; A325-I347 HydrophobicContact CB-CG1 4.04Å |
| 326 | T | 81.9 | Confident | 83.2 | Confident | 43 Ų | 43 | 23.4 Ų | 23.4 | 26% | 0.264 | 14% | 0.14 | S | C | . | . | trans | -134.9 | 67.9 | 179.3 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | V60 P322 E328 A329 | V60-T326 HydrophobicContact CG1-CG2 4.16Å; P322-T326 PolarHBondContact O-N 2.9Å; P322-T326 PolarHBondContact O-OG1 2.56Å; T326-E328 VanDerWaalsContact C-N 3.25Å; T326-E328 PolarHBondContact O-N 3.1Å; T326-A329 WeakPolarHBondContact O-CB 3.22Å; T326-A329 PolarHBondContact O-N 3.41Å; T326-A329 VanDerWaalsContact O-N 3.1Å | ||
| 327 | P | 86.3 | Confident | 82 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -66.8 | -23.9 | -172.9 | 27.2 | -35.9 | 0 | 0 | 0 | 113.8 | V209 A323 A329 F330 G331 I332 I338 L346 | V209-P327 HydrophobicContact CG1-CG 4.11Å; A323-P327 WeakPolarHBondContact O-CA 3.4Å; A323-P327 WeakPolarHBondContact O-CB 3.43Å; P327-A329 VanDerWaalsContact C-N 3.33Å; P327-A329 PolarHBondContact O-N 3.3Å; P327-F330 PolarHBondContact O-N 3.46Å; P327-G331 PolarHBondContact O-N 3.47Å; P327-I332 HydrophobicContact CB-CB 3.99Å; P327-I332 HydrophobicContact CB-CD1 3.87Å; P327-I332 HydrophobicContact CB-CG1 4.43Å; P327-I332 HydrophobicContact CB-CG2 4.42Å; P327-I332 PolarHBondContact O-N 3.3Å; P327-I332 VanDerWaalsContact O-N 3.09Å; P327-I338 HydrophobicContact CG-CD1 3.43Å; P327-I338 VanDerWaalsContact CG-CD1 3.43Å; P327-L346 HydrophobicContact CG-CD1 4.21Å |
| 328 | E | 76.5 | Confident | 81.2 | Confident | 38 Ų | 38 | 25 Ų | 25 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -56.4 | -43.1 | 170.2 | -67.6 | 151 | -116.7 | 0 | 0 | 112.1 | T326 F330 G331 I338 R343 | T326-E328 VanDerWaalsContact C-N 3.25Å; T326-E328 PolarHBondContact O-N 3.1Å; E328-F330 PolarHBondContact O-N 3.4Å; E328-G331 PolarHBondContact O-N 3.31Å; E328-I338 HydrophobicContact CG-CD1 4.18Å; E328-I338 HydrophobicContact CG-CG1 4.45Å; E328-I338 VanDerWaalsContact OE1-CD1 3.27Å; E328-I338 WeakPolarHBondContact OE1-CD1 3.29Å; E328-I338 WeakPolarHBondContact OE1-CG1 3.35Å; E328-R343 IonicContact OE1-CZ 2.66Å; E328-R343 IonicContact OE1-NE 3.49Å; E328-R343 IonicContact OE1-NH2 2.9Å; E328-R343 PolarHBondContact OE1-NH2 3.33Å; E328-R343 IonicContact OE2-NH2 3.8Å; E328-R343 PolarHBondContact OE2-NH2 3.27Å |
| 329 | A | 75.6 | Confident | 80.4 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 13% | 0.132 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -68.1 | -20 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H53 T326 P327 | H53-A329 PolarHBondContact NE2-O 3.49Å; T326-A329 WeakPolarHBondContact O-CB 3.22Å; T326-A329 PolarHBondContact O-N 3.41Å; T326-A329 VanDerWaalsContact O-N 3.1Å; P327-A329 VanDerWaalsContact C-N 3.33Å; P327-A329 PolarHBondContact O-N 3.3Å |
| 330 | F | 80.6 | Confident | 79.5 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -102.9 | 2.6 | 175 | -63.6 | -88.5 | 0 | 0 | 0 | 112.8 | I191 E192 L201 P322 A323 P327 E328 I332 | I191-F330 HydrophobicContact CG2-CD1 4.45Å; I191-F330 HydrophobicContact CG2-CE1 3.84Å; E192-F330 HydrophobicContact CG-CE1 4.14Å; L201-F330 HydrophobicContact CD1-CB 3.79Å; L201-F330 HydrophobicContact CD1-CD1 3.7Å; L201-F330 HydrophobicContact CD1-CG 3.89Å; P322-F330 HydrophobicContact CB-CE2 4.37Å; P322-F330 HydrophobicContact CB-CZ 4.34Å; A323-F330 HydrophobicContact CB-CD2 3.85Å; A323-F330 HydrophobicContact CB-CE2 4.05Å; A323-F330 HydrophobicContact CB-CG 4.1Å; A323-F330 HydrophobicContact CB-CZ 4.47Å; P327-F330 PolarHBondContact O-N 3.46Å; E328-F330 PolarHBondContact O-N 3.4Å; F330-I332 VanDerWaalsContact C-N 3.29Å; F330-I332 HydrophobicContact CB-CD1 4.2Å; F330-I332 HydrophobicContact CB-CG1 4.14Å; F330-I332 PolarHBondContact O-N 3.45Å |
| 331 | G | 76.4 | Confident | 78.9 | Confident | 22 Ų | 22 | 29 Ų | 29 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 17.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P327 E328 L333 | P327-G331 PolarHBondContact O-N 3.47Å; E328-G331 PolarHBondContact O-N 3.31Å; G331-L333 VanDerWaalsContact C-N 3.28Å; G331-L333 PolarHBondContact O-N 2.95Å |
| 332 | I | 84.7 | Confident | 78.4 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -64.2 | -35.4 | -178 | -62 | 169.2 | 0 | 0 | 0 | 111 | L201 L205 H206 A323 P327 F330 | L201-I332 HydrophobicContact CB-CD1 3.95Å; L201-I332 HydrophobicContact CB-CG1 4Å; L201-I332 HydrophobicContact CD1-CD1 4.37Å; L205-I332 HydrophobicContact CB-CD1 4.31Å; L205-I332 HydrophobicContact CB-CG2 4.44Å; L205-I332 HydrophobicContact CD1-CD1 3.88Å; H206-I332 HydrophobicContact CB-CG2 4.35Å; H206-I332 PolarHBondContact CD2-O 3.48Å; A323-I332 HydrophobicContact CB-CD1 4.25Å; P327-I332 HydrophobicContact CB-CB 3.99Å; P327-I332 HydrophobicContact CB-CD1 3.87Å; P327-I332 HydrophobicContact CB-CG1 4.43Å; P327-I332 HydrophobicContact CB-CG2 4.42Å; P327-I332 PolarHBondContact O-N 3.3Å; P327-I332 VanDerWaalsContact O-N 3.09Å; F330-I332 VanDerWaalsContact C-N 3.29Å; F330-I332 HydrophobicContact CB-CD1 4.2Å; F330-I332 HydrophobicContact CB-CG1 4.14Å; F330-I332 PolarHBondContact O-N 3.45Å |
| 333 | L | 75.7 | Confident | 78.2 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -117.8 | 137.6 | 171.2 | -66.2 | 170.4 | 0 | 0 | 0 | 108.6 | V209 I213 G331 I338 | V209-L333 HydrophobicContact CG1-CD1 3.8Å; I213-L333 HydrophobicContact CD1-CD1 3.5Å; G331-L333 VanDerWaalsContact C-N 3.28Å; G331-L333 PolarHBondContact O-N 2.95Å; L333-I338 HydrophobicContact CD1-CD1 3.94Å; L333-I338 HydrophobicContact CD1-CG1 4.3Å | ||
| 334 | S | 63.8 | Low | 78 | Confident | 34 Ų | 34 | 31.5 Ų | 31.5 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -107.9 | -31.1 | -178 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | R1237 L1241 R1244 | S334-R1237 PolarHBondContact OG-NH2 2.84Å; S334-L1241 WeakPolarHBondContact O-CD2 3.4Å; S334-R1244 PolarHBondContact O-NH1 3.22Å |
| 335 | D | 62.5 | Low | 77.9 | Confident | 102 Ų | 102 | 31.8 Ų | 31.8 | 55% | 0.545 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -138.4 | 5.5 | -169.2 | -55.4 | -87.5 | 0 | 0 | 0 | 113 | R1244 | D335-R1244 IonicContact OD1-CZ 3.03Å; D335-R1244 IonicContact OD1-NH1 3.33Å; D335-R1244 PolarHBondContact OD1-NH1 3.01Å; D335-R1244 IonicContact OD1-NH2 3.19Å |
| 336 | T | 65.4 | Low | 78 | Confident | 57 Ų | 57 | 30.8 Ų | 30.8 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | trans | -105.2 | 117.5 | 176.2 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | L210 I213 | L210-T336 HydrophobicContact CD1-CG2 4.2Å; I213-T336 HydrophobicContact CG2-CG2 4.11Å | ||
| 337 | T | 66 | Low | 78.5 | Confident | 49 Ų | 49 | 31.8 Ų | 31.8 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | trans | -93.4 | 124.7 | -172.1 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | G339 E1248 R1317 | T337-G339 PolarHBondContact O-N 2.92Å; T337-E1248 WeakPolarHBondContact CB-OE1 3.47Å; T337-R1317 VanDerWaalsContact CG2-CZ 3.48Å; T337-R1317 PolarHBondContact OG1-NH1 3.42Å | ||
| 338 | I | 73.3 | Confident | 78.8 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | trans | -86.6 | 106.6 | -167.3 | -48.2 | -171.8 | 0 | 0 | 0 | 111.2 | I213 P327 E328 L333 A342 R343 L346 | I213-I338 HydrophobicContact CD1-CD1 4.1Å; I213-I338 HydrophobicContact CD1-CG1 3.94Å; I213-I338 HydrophobicContact CD1-CG2 4.45Å; I213-I338 HydrophobicContact CG1-CG2 4.48Å; P327-I338 HydrophobicContact CG-CD1 3.43Å; P327-I338 VanDerWaalsContact CG-CD1 3.43Å; E328-I338 HydrophobicContact CG-CD1 4.18Å; E328-I338 HydrophobicContact CG-CG1 4.45Å; E328-I338 VanDerWaalsContact OE1-CD1 3.27Å; E328-I338 WeakPolarHBondContact OE1-CD1 3.29Å; E328-I338 WeakPolarHBondContact OE1-CG1 3.35Å; L333-I338 HydrophobicContact CD1-CD1 3.94Å; L333-I338 HydrophobicContact CD1-CG1 4.3Å; I338-A342 HydrophobicContact CG2-CB 3.83Å; I338-R343 HydrophobicContact CG2-CB 3.95Å; I338-L346 HydrophobicContact CD1-CD1 4.26Å; I338-L346 HydrophobicContact CG2-CD1 4.23Å | ||
| 339 | G | 70.8 | Confident | 79.7 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 41% | 0.412 | 18% | 0.183 | S | C | . | . | trans | -60.4 | 152.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T337 V341 A342 R343 | T337-G339 PolarHBondContact O-N 2.92Å; G339-V341 PolarHBondContact O-N 3.44Å; G339-A342 PolarHBondContact O-N 3.38Å; G339-R343 PolarHBondContact O-N 3.46Å | ||
| 340 | N | 74.9 | Confident | 80.5 | Confident | 74 Ų | 74 | 30.3 Ų | 30.3 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.8 | -29.5 | -175.3 | -69.6 | -12.1 | 0 | 0 | 0 | 113.9 | F344 E1256 | N340-F344 WeakPolarHBondContact O-CB 3.47Å; N340-F344 PolarHBondContact O-N 2.99Å; N340-F344 VanDerWaalsContact O-N 3.13Å; N340-E1256 PolarHBondContact ND2-OE1 3.27Å |
| 341 | V | 81 | Confident | 81.1 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.5 | -52.6 | 174.6 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | L218 F219 G339 R343 F344 N345 | L218-V341 WeakPolarHBondContact O-CG1 3.42Å; F219-V341 HydrophobicContact CD1-CB 4.45Å; F219-V341 HydrophobicContact CD1-CG1 3.94Å; F219-V341 HydrophobicContact CD2-CG1 4.43Å; F219-V341 HydrophobicContact CE1-CB 4.22Å; F219-V341 HydrophobicContact CE1-CG1 4.2Å; F219-V341 HydrophobicContact CE1-CG2 4.02Å; F219-V341 HydrophobicContact CE2-CG2 4.01Å; F219-V341 HydrophobicContact CG-CG1 4.08Å; F219-V341 HydrophobicContact CZ-CB 4.45Å; F219-V341 HydrophobicContact CZ-CG2 3.74Å; G339-V341 PolarHBondContact O-N 3.44Å; V341-R343 VanDerWaalsContact C-N 3.31Å; V341-R343 PolarHBondContact O-N 3Å; V341-F344 WeakPolarHBondContact O-CB 3.24Å; V341-F344 PolarHBondContact O-N 3.38Å; V341-F344 VanDerWaalsContact O-N 3.1Å; V341-N345 PolarHBondContact O-N 3.48Å |
| 342 | A | 84.6 | Confident | 81.9 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L212 I213 I338 G339 F344 N345 L346 | L212-A342 HydrophobicContact CD2-CB 4.3Å; I213-A342 HydrophobicContact CG1-CB 4.04Å; I338-A342 HydrophobicContact CG2-CB 3.83Å; G339-A342 PolarHBondContact O-N 3.38Å; A342-F344 VanDerWaalsContact C-N 3.35Å; A342-F344 PolarHBondContact O-N 3.48Å; A342-N345 PolarHBondContact O-N 3.38Å; A342-L346 WeakPolarHBondContact O-CB 3.48Å; A342-L346 WeakPolarHBondContact O-CG 3.29Å; A342-L346 PolarHBondContact O-N 2.75Å |
| 343 | R | 86.5 | Confident | 82.3 | Confident | 54 Ų | 54 | 33.1 Ų | 33.1 | 20% | 0.204 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 174.9 | -167.1 | 175.4 | -74.6 | 151.2 | -9.9 | 112.2 | E328 I338 G339 V341 I347 | E328-R343 IonicContact OE1-CZ 2.66Å; E328-R343 IonicContact OE1-NE 3.49Å; E328-R343 IonicContact OE1-NH2 2.9Å; E328-R343 PolarHBondContact OE1-NH2 3.33Å; E328-R343 IonicContact OE2-NH2 3.8Å; E328-R343 PolarHBondContact OE2-NH2 3.27Å; I338-R343 HydrophobicContact CG2-CB 3.95Å; G339-R343 PolarHBondContact O-N 3.46Å; V341-R343 VanDerWaalsContact C-N 3.31Å; V341-R343 PolarHBondContact O-N 3Å; R343-I347 HydrophobicContact CG-CD1 4.35Å; R343-I347 WeakPolarHBondContact O-CD1 3.36Å; R343-I347 VanDerWaalsContact O-CG1 3.26Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 2.83Å; R343-I347 VanDerWaalsContact O-N 3.12Å |
| 344 | F | 87.9 | Confident | 83 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 171.2 | 178.3 | -92.7 | 0 | 0 | 0 | 111.5 | F219 D221 N340 V341 A342 L346 I347 Q348 | F219-F344 HydrophobicContact CB-CD1 4.43Å; F219-F344 HydrophobicContact CD1-CB 4.09Å; F219-F344 AromaticContact CD1-CD1 3.72Å; F219-F344 HydrophobicContact CD1-CD1 3.72Å; F219-F344 HydrophobicContact CD1-CE1 4.39Å; F219-F344 AromaticContact CD1-CG 3.94Å; F219-F344 HydrophobicContact CD1-CG 3.94Å; F219-F344 HydrophobicContact CE1-CB 4.2Å; F219-F344 HydrophobicContact CE1-CG 4.38Å; D221-F344 HydrophobicContact CB-CE1 4.48Å; N340-F344 WeakPolarHBondContact O-CB 3.47Å; N340-F344 PolarHBondContact O-N 2.99Å; N340-F344 VanDerWaalsContact O-N 3.13Å; V341-F344 WeakPolarHBondContact O-CB 3.24Å; V341-F344 PolarHBondContact O-N 3.38Å; V341-F344 VanDerWaalsContact O-N 3.1Å; A342-F344 VanDerWaalsContact C-N 3.35Å; A342-F344 PolarHBondContact O-N 3.48Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 2.89Å; F344-I347 WeakPolarHBondContact O-CB 3.32Å; F344-I347 PolarHBondContact O-N 2.69Å; F344-I347 VanDerWaalsContact O-N 3.17Å; F344-Q348 HydrophobicContact CD1-CG 4Å; F344-Q348 HydrophobicContact CE1-CG 3.61Å; F344-Q348 HydrophobicContact CE2-CG 4.49Å; F344-Q348 HydrophobicContact CZ-CG 3.87Å; F344-Q348 VanDerWaalsContact O-CG 3.29Å; F344-Q348 WeakPolarHBondContact O-CG 3.16Å; F344-Q348 PolarHBondContact O-N 3.06Å |
| 345 | N | 91.8 | Very high | 84.3 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -39.1 | -179.4 | -67.5 | -8.6 | 0 | 0 | 0 | 112.2 | L212 L218 L220 V341 A342 Q348 I349 | L212-N345 HydrophobicContact CD1-CB 4.32Å; L212-N345 HydrophobicContact CD2-CB 4.02Å; L212-N345 HydrophobicContact CG-CB 4.49Å; L218-N345 PolarHBondContact O-ND2 2.69Å; L220-N345 WeakPolarHBondContact CB-OD1 3.34Å; L220-N345 HydrophobicContact CD1-CB 4.22Å; L220-N345 HydrophobicContact CG-CB 4.46Å; L220-N345 PolarHBondContact N-OD1 3.06Å; V341-N345 PolarHBondContact O-N 3.48Å; A342-N345 PolarHBondContact O-N 3.38Å; N345-Q348 WeakPolarHBondContact O-CB 3.45Å; N345-Q348 PolarHBondContact O-N 3.24Å; N345-I349 PolarHBondContact O-N 3.04Å |
| 346 | L | 92.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 172.5 | -73.8 | 172.7 | 0 | 0 | 0 | 112.7 | V209 L212 F270 I324 P327 I338 A342 F344 Q348 I349 G350 | V209-L346 HydrophobicContact CB-CD2 4.5Å; V209-L346 HydrophobicContact CG1-CD1 4.17Å; V209-L346 HydrophobicContact CG1-CD2 4.23Å; V209-L346 HydrophobicContact CG2-CD2 4.03Å; L212-L346 HydrophobicContact CD1-CD2 4.34Å; L212-L346 HydrophobicContact CD2-CD2 3.88Å; L212-L346 HydrophobicContact CD2-CG 3.78Å; F270-L346 HydrophobicContact CZ-CD2 3.94Å; I324-L346 HydrophobicContact CG2-CD2 4.3Å; I324-L346 WeakPolarHBondContact O-CB 3.33Å; P327-L346 HydrophobicContact CG-CD1 4.21Å; I338-L346 HydrophobicContact CD1-CD1 4.26Å; I338-L346 HydrophobicContact CG2-CD1 4.23Å; A342-L346 WeakPolarHBondContact O-CB 3.48Å; A342-L346 WeakPolarHBondContact O-CG 3.29Å; A342-L346 PolarHBondContact O-N 2.75Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 2.89Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-Q348 PolarHBondContact O-N 2.83Å; L346-I349 PolarHBondContact O-N 3.33Å; L346-G350 PolarHBondContact O-N 3.07Å |
| 347 | I | 92 | Very high | 86.8 | Confident | 65 Ų | 65 | 29.2 Ų | 29.2 | 33% | 0.333 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 175.5 | -71.5 | 163.9 | 0 | 0 | 0 | 110.8 | A325 R343 F344 G350 Q351 | A325-I347 HydrophobicContact CB-CG1 4.04Å; R343-I347 HydrophobicContact CG-CD1 4.35Å; R343-I347 WeakPolarHBondContact O-CD1 3.36Å; R343-I347 VanDerWaalsContact O-CG1 3.26Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 2.83Å; R343-I347 VanDerWaalsContact O-N 3.12Å; F344-I347 WeakPolarHBondContact O-CB 3.32Å; F344-I347 PolarHBondContact O-N 2.69Å; F344-I347 VanDerWaalsContact O-N 3.17Å; I347-G350 PolarHBondContact O-N 2.75Å; I347-Q351 VanDerWaalsContact CG2-NE2 3.33Å; I347-Q351 WeakPolarHBondContact O-CG 3.22Å; I347-Q351 PolarHBondContact O-N 2.93Å |
| 348 | Q | 92.3 | Very high | 87.8 | Confident | 18 Ų | 18 | 27.4 Ų | 27.4 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 176.4 | -63.2 | -77.6 | 96.7 | 0 | 0 | 111.3 | L220 L263 F344 N345 L346 G350 Q351 I352 | L220-Q348 PolarHBondContact O-NE2 3.36Å; L220-Q348 VanDerWaalsContact O-NE2 3.08Å; L263-Q348 HydrophobicContact CD2-CB 4.24Å; F344-Q348 HydrophobicContact CD1-CG 4Å; F344-Q348 HydrophobicContact CE1-CG 3.61Å; F344-Q348 HydrophobicContact CE2-CG 4.49Å; F344-Q348 HydrophobicContact CZ-CG 3.87Å; F344-Q348 VanDerWaalsContact O-CG 3.29Å; F344-Q348 WeakPolarHBondContact O-CG 3.16Å; F344-Q348 PolarHBondContact O-N 3.06Å; N345-Q348 WeakPolarHBondContact O-CB 3.45Å; N345-Q348 PolarHBondContact O-N 3.24Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-Q348 PolarHBondContact O-N 2.83Å; Q348-G350 PolarHBondContact O-N 3.2Å; Q348-Q351 PolarHBondContact O-N 3.17Å; Q348-I352 VanDerWaalsContact O-CG1 3.32Å; Q348-I352 WeakPolarHBondContact O-CG1 3.43Å; Q348-I352 PolarHBondContact O-N 2.79Å |
| 349 | I | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 176 | -69.2 | -177.8 | 0 | 0 | 0 | 111.4 | L212 L263 F270 I324 N345 L346 Q351 I352 L353 | L212-I349 HydrophobicContact CD1-CD1 3.33Å; L212-I349 HydrophobicContact CD1-CG1 4.46Å; L263-I349 HydrophobicContact CD2-CG1 4.25Å; F270-I349 HydrophobicContact CD2-CD1 4.34Å; F270-I349 HydrophobicContact CD2-CG2 4.16Å; F270-I349 HydrophobicContact CE2-CD1 4.1Å; F270-I349 HydrophobicContact CE2-CG2 4.44Å; F270-I349 HydrophobicContact CG-CG2 4.25Å; I324-I349 HydrophobicContact CG2-CG2 4.45Å; N345-I349 PolarHBondContact O-N 3.04Å; L346-I349 PolarHBondContact O-N 3.33Å; I349-Q351 VanDerWaalsContact C-N 3.33Å; I349-Q351 PolarHBondContact O-N 3.21Å; I349-I352 PolarHBondContact O-N 3.29Å; I349-L353 HydrophobicContact CG2-CD1 4.12Å; I349-L353 WeakPolarHBondContact O-CB 3.46Å; I349-L353 PolarHBondContact O-N 2.9Å |
| 350 | G | 93.5 | Very high | 88.9 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C321 L346 I347 Q348 Q354 | C321-G350 PolarHBondContact SG-O 3.32Å; C321-G350 VanDerWaalsContact SG-O 3.39Å; L346-G350 PolarHBondContact O-N 3.07Å; I347-G350 PolarHBondContact O-N 2.75Å; Q348-G350 PolarHBondContact O-N 3.2Å; G350-Q354 VanDerWaalsContact O-CB 3.3Å; G350-Q354 WeakPolarHBondContact O-CB 3.43Å; G350-Q354 PolarHBondContact O-N 2.88Å |
| 351 | Q | 92.4 | Very high | 89.3 | Confident | 98 Ų | 98 | 31.6 Ų | 31.6 | 46% | 0.458 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.3 | -37.8 | 175.8 | -70.8 | 175.3 | 31.8 | 0 | 0 | 113 | I347 Q348 I349 T355 | I347-Q351 VanDerWaalsContact CG2-NE2 3.33Å; I347-Q351 WeakPolarHBondContact O-CG 3.22Å; I347-Q351 PolarHBondContact O-N 2.93Å; Q348-Q351 PolarHBondContact O-N 3.17Å; I349-Q351 VanDerWaalsContact C-N 3.33Å; I349-Q351 PolarHBondContact O-N 3.21Å; Q351-T355 WeakPolarHBondContact O-CB 3.26Å; Q351-T355 PolarHBondContact O-N 3.47Å; Q351-T355 PolarHBondContact O-OG1 2.84Å |
| 352 | I | 92.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -48 | 175.9 | -65.9 | 167.9 | 0 | 0 | 0 | 109.9 | L222 L263 T267 Q348 I349 Q354 T355 L356 L371 Y372 F375 | L222-I352 HydrophobicContact CD1-CD1 4.4Å; L222-I352 HydrophobicContact CD1-CG1 4.45Å; L263-I352 HydrophobicContact CB-CD1 4.09Å; L263-I352 HydrophobicContact CD1-CD1 4.22Å; L263-I352 HydrophobicContact CD2-CD1 3.99Å; L263-I352 HydrophobicContact CG-CD1 4.34Å; T267-I352 HydrophobicContact CG2-CG2 3.96Å; Q348-I352 VanDerWaalsContact O-CG1 3.32Å; Q348-I352 WeakPolarHBondContact O-CG1 3.43Å; Q348-I352 PolarHBondContact O-N 2.79Å; I349-I352 PolarHBondContact O-N 3.29Å; I352-Q354 PolarHBondContact O-N 3.34Å; I352-T355 PolarHBondContact O-N 3.48Å; I352-L356 HydrophobicContact CG2-CD1 3.91Å; I352-L356 HydrophobicContact CG2-CG 4.32Å; I352-L356 WeakPolarHBondContact O-CB 3.35Å; I352-L356 WeakPolarHBondContact O-CG 3.41Å; I352-L356 PolarHBondContact O-N 3.3Å; I352-L371 HydrophobicContact CD1-CD2 4.16Å; I352-L371 HydrophobicContact CG1-CD2 4.16Å; I352-Y372 HydrophobicContact CG2-CE1 4.14Å; I352-F375 HydrophobicContact CG2-CE2 4.13Å; I352-F375 HydrophobicContact CG2-CZ 3.93Å |
| 353 | L | 93.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 175 | -96.8 | 164 | 0 | 0 | 0 | 112.3 | T267 F270 V271 F316 I324 I349 T355 L356 A357 V380 | T267-L353 HydrophobicContact CG2-CG 4.06Å; F270-L353 HydrophobicContact CB-CD1 4.17Å; V271-L353 HydrophobicContact CG2-CD2 3.72Å; F316-L353 HydrophobicContact CE1-CD2 4.27Å; I324-L353 HydrophobicContact CD1-CD1 3.46Å; I324-L353 VanDerWaalsContact CD1-CD1 3.46Å; I349-L353 HydrophobicContact CG2-CD1 4.12Å; I349-L353 WeakPolarHBondContact O-CB 3.46Å; I349-L353 PolarHBondContact O-N 2.9Å; L353-T355 VanDerWaalsContact C-N 3.3Å; L353-T355 PolarHBondContact O-N 3.45Å; L353-L356 PolarHBondContact O-N 3.01Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.47Å; L353-A357 PolarHBondContact O-N 3.19Å; L353-V380 HydrophobicContact CD2-CG2 4.21Å |
| 354 | Q | 91.6 | Very high | 88.7 | Confident | 67 Ų | 67 | 38.2 Ų | 38.2 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60 | -40.9 | 176.4 | -170.7 | -177.4 | 16.7 | 0 | 0 | 111.9 | T317 G350 I352 V358 | T317-Q354 PolarHBondContact OG1-NE2 3.09Å; G350-Q354 VanDerWaalsContact O-CB 3.3Å; G350-Q354 WeakPolarHBondContact O-CB 3.43Å; G350-Q354 PolarHBondContact O-N 2.88Å; I352-Q354 PolarHBondContact O-N 3.34Å; Q354-V358 WeakPolarHBondContact O-CG2 3.24Å; Q354-V358 PolarHBondContact O-N 3.33Å |
| 355 | T | 90.4 | Very high | 88.3 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.9 | -43.3 | 179.6 | -54 | 0 | 0 | 0 | 0 | 111.5 | Q351 I352 L353 A357 V358 S359 T364 Y372 | Q351-T355 WeakPolarHBondContact O-CB 3.26Å; Q351-T355 PolarHBondContact O-N 3.47Å; Q351-T355 PolarHBondContact O-OG1 2.84Å; I352-T355 PolarHBondContact O-N 3.48Å; L353-T355 VanDerWaalsContact C-N 3.3Å; L353-T355 PolarHBondContact O-N 3.45Å; T355-A357 VanDerWaalsContact C-N 3.34Å; T355-A357 PolarHBondContact O-N 2.96Å; T355-V358 PolarHBondContact O-N 3.22Å; T355-S359 WeakPolarHBondContact O-CB 3.48Å; T355-S359 PolarHBondContact O-N 3.41Å; T355-T364 HydrophobicContact CG2-CG2 4.15Å; T355-Y372 WeakPolarHBondContact CB-OH 3.42Å; T355-Y372 HydrophobicContact CG2-CE1 3.93Å; T355-Y372 HydrophobicContact CG2-CE2 4.03Å; T355-Y372 WeakPolarHBondContact CG2-OH 3.48Å; T355-Y372 PolarHBondContact OG1-OH 3.1Å |
| 356 | L | 90.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 174.3 | -75.6 | 172.7 | 0 | 0 | 0 | 111.3 | T267 I352 L353 V358 S359 Y372 F375 P379 V380 | T267-L356 HydrophobicContact CG2-CD1 4.2Å; I352-L356 HydrophobicContact CG2-CD1 3.91Å; I352-L356 HydrophobicContact CG2-CG 4.32Å; I352-L356 WeakPolarHBondContact O-CB 3.35Å; I352-L356 WeakPolarHBondContact O-CG 3.41Å; I352-L356 PolarHBondContact O-N 3.3Å; L353-L356 PolarHBondContact O-N 3.01Å; L356-V358 PolarHBondContact O-N 3.26Å; L356-V358 VanDerWaalsContact O-N 3.16Å; L356-S359 WeakPolarHBondContact O-CB 3.48Å; L356-S359 PolarHBondContact O-N 2.82Å; L356-S359 PolarHBondContact O-OG 3.19Å; L356-Y372 HydrophobicContact CD2-CD1 3.79Å; L356-Y372 HydrophobicContact CD2-CE1 4.45Å; L356-Y372 HydrophobicContact CG-CD1 4.16Å; L356-Y372 HydrophobicContact CG-CE1 4.34Å; L356-F375 HydrophobicContact CD1-CD1 3.75Å; L356-F375 HydrophobicContact CD1-CD2 4.06Å; L356-F375 HydrophobicContact CD1-CE1 3.79Å; L356-F375 HydrophobicContact CD1-CE2 4.09Å; L356-F375 HydrophobicContact CD1-CG 3.88Å; L356-F375 HydrophobicContact CD1-CZ 3.95Å; L356-F375 HydrophobicContact CD2-CB 4.03Å; L356-F375 HydrophobicContact CD2-CD2 3.9Å; L356-F375 HydrophobicContact CD2-CG 3.93Å; L356-P379 HydrophobicContact CB-CG 4.39Å; L356-P379 HydrophobicContact CD2-CG 4.11Å; L356-V380 HydrophobicContact CB-CG2 4.19Å |
| 357 | A | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -23.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | T312 F316 L353 T355 W361 V380 | T312-A357 HydrophobicContact CG2-CB 3.92Å; T312-A357 WeakPolarHBondContact CG2-O 3.41Å; F316-A357 HydrophobicContact CB-CB 3.83Å; F316-A357 HydrophobicContact CD1-CB 4.26Å; F316-A357 HydrophobicContact CD2-CB 4.08Å; F316-A357 HydrophobicContact CG-CB 3.75Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.47Å; L353-A357 PolarHBondContact O-N 3.19Å; T355-A357 VanDerWaalsContact C-N 3.34Å; T355-A357 PolarHBondContact O-N 2.96Å; A357-W361 WeakPolarHBondContact O-CZ3 3.22Å; A357-V380 HydrophobicContact CB-CB 4.47Å; A357-V380 HydrophobicContact CB-CG1 3.81Å |
| 358 | V | 87.6 | Confident | 86.4 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -109.3 | -9.4 | -177.1 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | R173 L309 E313 Q354 T355 L356 Q360 W361 D362 | R173-V358 VanDerWaalsContact NH2-CG1 3.32Å; L309-V358 HydrophobicContact CD1-CG1 4.06Å; E313-V358 HydrophobicContact CG-CG2 4.24Å; Q354-V358 WeakPolarHBondContact O-CG2 3.24Å; Q354-V358 PolarHBondContact O-N 3.33Å; T355-V358 PolarHBondContact O-N 3.22Å; L356-V358 PolarHBondContact O-N 3.26Å; L356-V358 VanDerWaalsContact O-N 3.16Å; V358-Q360 PolarHBondContact O-N 2.91Å; V358-W361 PolarHBondContact O-N 2.89Å; V358-D362 HydrophobicContact CG1-CB 3.92Å; V358-D362 WeakPolarHBondContact CG1-OD2 3.15Å; V358-D362 PolarHBondContact O-N 3.47Å |
| 359 | S | 85.3 | Confident | 85.9 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.7 | -173.4 | 65.1 | 0 | 0 | 0 | 0 | 116 | T355 L356 W361 | T355-S359 WeakPolarHBondContact O-CB 3.48Å; T355-S359 PolarHBondContact O-N 3.41Å; L356-S359 WeakPolarHBondContact O-CB 3.48Å; L356-S359 PolarHBondContact O-N 2.82Å; L356-S359 PolarHBondContact O-OG 3.19Å; S359-W361 PolarHBondContact O-N 3.16Å |
| 360 | Q | 82.7 | Confident | 85.4 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 41% | 0.407 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.8 | 174.7 | -68.3 | 169.8 | 1.7 | 0 | 0 | 113 | V358 D378 S381 | V358-Q360 PolarHBondContact O-N 2.91Å; Q360-D378 PolarHBondContact NE2-OD1 3.27Å; Q360-S381 PolarHBondContact NE2-OG 3.4Å; Q360-S381 PolarHBondContact OE1-OG 3.26Å |
| 361 | W | 82.2 | Confident | 85.1 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 28% | 0.284 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -39.5 | -176.6 | -59.6 | -90.9 | 0 | 0 | 0 | 114 | S305 D308 L309 A357 V358 S359 | S305-W361 PolarHBondContact O-NE1 2.88Å; D308-W361 HydrophobicContact CB-CZ2 3.98Å; L309-W361 HydrophobicContact CB-CD2 3.93Å; L309-W361 HydrophobicContact CB-CE3 4.4Å; L309-W361 HydrophobicContact CB-CG 4.16Å; L309-W361 HydrophobicContact CB-CZ2 4.26Å; L309-W361 HydrophobicContact CD1-CB 4.12Å; L309-W361 HydrophobicContact CD1-CD2 3.86Å; L309-W361 HydrophobicContact CD1-CE3 3.75Å; L309-W361 HydrophobicContact CD1-CG 4.05Å; L309-W361 HydrophobicContact CD1-CZ3 4.43Å; L309-W361 HydrophobicContact CD2-CB 3.86Å; L309-W361 HydrophobicContact CD2-CD2 4.41Å; L309-W361 HydrophobicContact CD2-CG 3.86Å; L309-W361 HydrophobicContact CG-CD2 4.28Å; L309-W361 HydrophobicContact CG-CG 4.25Å; A357-W361 WeakPolarHBondContact O-CZ3 3.22Å; V358-W361 PolarHBondContact O-N 2.89Å; S359-W361 PolarHBondContact O-N 3.16Å |
| 362 | D | 82 | Confident | 84.9 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -103.6 | 140.4 | 176.4 | -64.7 | -18.9 | 0 | 0 | 0 | 111.2 | R173 R177 V358 T364 | R173-D362 IonicContact CZ-OD1 3.52Å; R173-D362 IonicContact CZ-OD2 2.79Å; R173-D362 IonicContact NH1-OD1 2.88Å; R173-D362 PolarHBondContact NH1-OD1 3.38Å; R173-D362 IonicContact NH1-OD2 3.27Å; R173-D362 PolarHBondContact NH1-OD2 3.5Å; R173-D362 IonicContact NH2-OD1 3.97Å; R173-D362 IonicContact NH2-OD2 3.61Å; R173-D362 PolarHBondContact NH2-OD2 3.2Å; R177-D362 IonicContact NH2-OD2 3.22Å; V358-D362 HydrophobicContact CG1-CB 3.92Å; V358-D362 WeakPolarHBondContact CG1-OD2 3.15Å; V358-D362 PolarHBondContact O-N 3.47Å; D362-T364 PolarHBondContact O-N 3.02Å |
| 363 | S | 75.7 | Confident | 84.5 | Confident | 121 Ų | 121 | 58.9 Ų | 58.9 | 85% | 0.846 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 126 | 178.1 | 59.9 | 0 | 0 | 0 | 0 | 113 | ||
| 364 | T | 81.4 | Confident | 84.3 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -69 | 155.2 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | T355 D362 Y372 | T355-T364 HydrophobicContact CG2-CG2 4.15Å; D362-T364 PolarHBondContact O-N 3.02Å; T364-Y372 HydrophobicContact CG2-CD2 4.02Å; T364-Y372 HydrophobicContact CG2-CE2 4.4Å; T364-Y372 HydrophobicContact CG2-CG 4.36Å |
| 365 | D | 79.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 125.1 | 175.9 | -174.5 | -28.9 | 0 | 0 | 0 | 111.1 | K367 L368 | D365-K367 PolarHBondContact O-N 3.4Å; D365-K367 VanDerWaalsContact OD1-CB 3.32Å; D365-K367 WeakPolarHBondContact OD1-CB 3Å; D365-K367 WeakPolarHBondContact OD1-CG 3.22Å; D365-K367 PolarHBondContact OD1-N 3.48Å; D365-L368 HydrophobicContact CB-CD1 4.36Å; D365-L368 HydrophobicContact CB-CG 4.43Å; D365-L368 PolarHBondContact O-N 2.92Å |
| 366 | P | 76.6 | Confident | 83.5 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 74% | 0.74 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -55.9 | -23.1 | 178.1 | 21.4 | -33.1 | 0 | 0 | 0 | 114.6 | L368 | P366-L368 VanDerWaalsContact C-N 3.28Å; P366-L368 PolarHBondContact O-N 3.25Å |
| 367 | K | 78.5 | Confident | 82.6 | Confident | 159 Ų | 159 | 69.5 Ų | 69.5 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -71.7 | -18.7 | 175.2 | -65.1 | 178.7 | 176.1 | -177 | 0 | 114.3 | R256 D365 | R256-K367 PolarHBondContact NH2-O 2.89Å; D365-K367 PolarHBondContact O-N 3.4Å; D365-K367 VanDerWaalsContact OD1-CB 3.32Å; D365-K367 WeakPolarHBondContact OD1-CB 3Å; D365-K367 WeakPolarHBondContact OD1-CG 3.22Å; D365-K367 PolarHBondContact OD1-N 3.48Å |
| 368 | L | 82.1 | Confident | 82 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 18% | 0.183 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -113.3 | 5.3 | -173.4 | -62 | 178.8 | 0 | 0 | 0 | 113.3 | L222 D365 P366 E370 L371 Y372 | L222-L368 HydrophobicContact CB-CD2 4.41Å; L222-L368 HydrophobicContact CD1-CD2 4.48Å; L222-L368 HydrophobicContact CD2-CD2 4.49Å; D365-L368 HydrophobicContact CB-CD1 4.36Å; D365-L368 HydrophobicContact CB-CG 4.43Å; D365-L368 PolarHBondContact O-N 2.92Å; P366-L368 VanDerWaalsContact C-N 3.28Å; P366-L368 PolarHBondContact O-N 3.25Å; L368-E370 PolarHBondContact O-N 3.29Å; L368-L371 WeakPolarHBondContact O-CB 3.36Å; L368-L371 PolarHBondContact O-N 3.02Å; L368-Y372 HydrophobicContact CB-CD2 3.83Å; L368-Y372 HydrophobicContact CB-CE2 3.57Å; L368-Y372 HydrophobicContact CD1-CE2 4Å; L368-Y372 HydrophobicContact CG-CE2 4.45Å; L368-Y372 VanDerWaalsContact O-CD2 3.31Å; L368-Y372 WeakPolarHBondContact O-CD2 3.45Å; L368-Y372 PolarHBondContact O-N 3.39Å |
| 369 | V | 81 | Confident | 81.2 | Confident | 81 Ų | 81 | 72.1 Ų | 72.1 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.8 | -32.5 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | L371 G373 | V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 2.92Å; V369-G373 PolarHBondContact O-N 3.34Å |
| 370 | E | 85.3 | Confident | 81.2 | Confident | 98 Ų | 98 | 70 Ų | 70 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 173.2 | -178.4 | -174.5 | -156.1 | 0 | 0 | 113.4 | R256 I260 L368 Q374 | R256-E370 IonicContact CZ-OE2 3.66Å; R256-E370 IonicContact NE-OE2 2.7Å; R256-E370 PolarHBondContact NE-OE2 3.04Å; R256-E370 IonicContact NH2-OE2 3.73Å; R256-E370 PolarHBondContact NH2-OE2 3.48Å; I260-E370 HydrophobicContact CD1-CG 4.44Å; L368-E370 PolarHBondContact O-N 3.29Å; E370-Q374 PolarHBondContact O-NE2 3.4Å |
| 371 | L | 87.3 | Confident | 81 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.9 | -54.9 | 176.1 | 173.9 | 81.7 | 0 | 0 | 0 | 109.9 | L222 I260 L263 V264 I352 L368 V369 G373 Q374 F375 | L222-L371 HydrophobicContact CD1-CD2 4.12Å; L222-L371 HydrophobicContact CD2-CD1 4.04Å; L222-L371 HydrophobicContact CD2-CD2 3.76Å; L222-L371 HydrophobicContact CD2-CG 4.42Å; I260-L371 HydrophobicContact CB-CD1 4.47Å; I260-L371 HydrophobicContact CG1-CD1 4.31Å; I260-L371 HydrophobicContact CG2-CD1 4.08Å; L263-L371 HydrophobicContact CB-CD1 4.41Å; V264-L371 HydrophobicContact CG2-CD1 4.02Å; I352-L371 HydrophobicContact CD1-CD2 4.16Å; I352-L371 HydrophobicContact CG1-CD2 4.16Å; L368-L371 WeakPolarHBondContact O-CB 3.36Å; L368-L371 PolarHBondContact O-N 3.02Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 2.92Å; L371-G373 VanDerWaalsContact C-N 3.3Å; L371-G373 PolarHBondContact O-N 2.69Å; L371-Q374 PolarHBondContact O-N 3.45Å; L371-F375 HydrophobicContact CG-CE2 4.5Å |
| 372 | Y | 87.4 | Confident | 81.1 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 13% | 0.129 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.4 | -30.6 | -173.9 | -65.8 | -59.5 | 0 | 0 | 0 | 112.8 | I352 T355 L356 T364 L368 Q374 F375 | I352-Y372 HydrophobicContact CG2-CE1 4.14Å; T355-Y372 WeakPolarHBondContact CB-OH 3.42Å; T355-Y372 HydrophobicContact CG2-CE1 3.93Å; T355-Y372 HydrophobicContact CG2-CE2 4.03Å; T355-Y372 WeakPolarHBondContact CG2-OH 3.48Å; T355-Y372 PolarHBondContact OG1-OH 3.1Å; L356-Y372 HydrophobicContact CD2-CD1 3.79Å; L356-Y372 HydrophobicContact CD2-CE1 4.45Å; L356-Y372 HydrophobicContact CG-CD1 4.16Å; L356-Y372 HydrophobicContact CG-CE1 4.34Å; T364-Y372 HydrophobicContact CG2-CD2 4.02Å; T364-Y372 HydrophobicContact CG2-CE2 4.4Å; T364-Y372 HydrophobicContact CG2-CG 4.36Å; L368-Y372 HydrophobicContact CB-CD2 3.83Å; L368-Y372 HydrophobicContact CB-CE2 3.57Å; L368-Y372 HydrophobicContact CD1-CE2 4Å; L368-Y372 HydrophobicContact CG-CE2 4.45Å; L368-Y372 VanDerWaalsContact O-CD2 3.31Å; L368-Y372 WeakPolarHBondContact O-CD2 3.45Å; L368-Y372 PolarHBondContact O-N 3.39Å; Y372-Q374 PolarHBondContact O-N 2.95Å; Y372-F375 PolarHBondContact O-N 3.1Å |
| 373 | G | 85.5 | Confident | 81.5 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116 | V369 L371 | V369-G373 PolarHBondContact O-N 3.34Å; L371-G373 VanDerWaalsContact C-N 3.3Å; L371-G373 PolarHBondContact O-N 2.69Å |
| 374 | Q | 88.9 | Confident | 82.2 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -1.6 | 172.3 | -73.2 | 174.1 | 72.2 | 0 | 0 | 113.4 | V264 E370 L371 Y372 | V264-Q374 HydrophobicContact CG1-CB 4.24Å; V264-Q374 HydrophobicContact CG2-CB 3.99Å; E370-Q374 PolarHBondContact O-NE2 3.4Å; L371-Q374 PolarHBondContact O-N 3.45Å; Y372-Q374 PolarHBondContact O-N 2.95Å |
| 375 | F | 86.6 | Confident | 82.5 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -93.8 | 159.9 | 172 | -65.6 | -88.6 | 0 | 0 | 0 | 111.4 | V264 T267 Q268 I352 L356 L371 Y372 P379 | V264-F375 HydrophobicContact CB-CZ 4.23Å; V264-F375 HydrophobicContact CG1-CE1 4.33Å; V264-F375 HydrophobicContact CG1-CZ 4.3Å; V264-F375 HydrophobicContact CG2-CE2 3.83Å; V264-F375 HydrophobicContact CG2-CZ 3.96Å; T267-F375 HydrophobicContact CG2-CE1 3.71Å; T267-F375 HydrophobicContact CG2-CZ 3.91Å; Q268-F375 HydrophobicContact CG-CD1 4.07Å; Q268-F375 HydrophobicContact CG-CE1 4.02Å; I352-F375 HydrophobicContact CG2-CE2 4.13Å; I352-F375 HydrophobicContact CG2-CZ 3.93Å; L356-F375 HydrophobicContact CD1-CD1 3.75Å; L356-F375 HydrophobicContact CD1-CD2 4.06Å; L356-F375 HydrophobicContact CD1-CE1 3.79Å; L356-F375 HydrophobicContact CD1-CE2 4.09Å; L356-F375 HydrophobicContact CD1-CG 3.88Å; L356-F375 HydrophobicContact CD1-CZ 3.95Å; L356-F375 HydrophobicContact CD2-CB 4.03Å; L356-F375 HydrophobicContact CD2-CD2 3.9Å; L356-F375 HydrophobicContact CD2-CG 3.93Å; L371-F375 HydrophobicContact CG-CE2 4.5Å; Y372-F375 PolarHBondContact O-N 3.1Å; F375-P379 HydrophobicContact CB-CG 4.4Å |
| 376 | E | 78.6 | Confident | 82.9 | Confident | 138 Ų | 138 | 60 Ų | 60 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | trans | -61.7 | 156.4 | 171.7 | -61.3 | -180 | 153.5 | 0 | 0 | 111.4 | D378 P379 | E376-D378 VanDerWaalsContact C-N 3.3Å; E376-D378 PolarHBondContact O-N 3.31Å; E376-P379 WeakPolarHBondContact O-CD 3.41Å; E376-P379 WeakPolarHBondContact O-CG 3.04Å | ||
| 377 | A | 71.7 | Confident | 83.5 | Confident | 104 Ų | 104 | 55 Ų | 55 | 86% | 0.86 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -67.8 | -24 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 378 | D | 76 | Confident | 83.8 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -132.9 | 80.4 | 164.8 | -178.8 | 30.6 | 0 | 0 | 0 | 111 | Q360 E376 V380 S381 S382 | Q360-D378 PolarHBondContact NE2-OD1 3.27Å; E376-D378 VanDerWaalsContact C-N 3.3Å; E376-D378 PolarHBondContact O-N 3.31Å; D378-V380 VanDerWaalsContact C-N 3.29Å; D378-V380 PolarHBondContact O-N 3.16Å; D378-S381 WeakPolarHBondContact OD1-CA 3.36Å; D378-S381 WeakPolarHBondContact OD1-CB 3.33Å; D378-S381 PolarHBondContact OD1-N 3Å; D378-S381 PolarHBondContact OD1-OG 2.89Å; D378-S382 VanDerWaalsContact OD2-CB 3.32Å; D378-S382 WeakPolarHBondContact OD2-CB 3.43Å; D378-S382 PolarHBondContact OD2-N 3.1Å; D378-S382 PolarHBondContact OD2-OG 3.48Å |
| 379 | P | 71.3 | Confident | 83.7 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -75.7 | -23.7 | -176.8 | 24.6 | -17.8 | 0 | 0 | 0 | 111.3 | V271 K275 L356 F375 E376 | V271-P379 WeakPolarHBondContact CG1-O 3.11Å; K275-P379 VanDerWaalsContact CE-O 3.25Å; K275-P379 WeakPolarHBondContact CE-O 3.17Å; K275-P379 PolarHBondContact NZ-O 3.42Å; L356-P379 HydrophobicContact CB-CG 4.39Å; L356-P379 HydrophobicContact CD2-CG 4.11Å; F375-P379 HydrophobicContact CB-CG 4.4Å; E376-P379 WeakPolarHBondContact O-CD 3.41Å; E376-P379 WeakPolarHBondContact O-CG 3.04Å |
| 380 | V | 83.8 | Confident | 83 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -134.3 | -36.7 | -161.5 | -175.7 | 0 | 0 | 0 | 0 | 114.8 | V271 F316 L353 L356 A357 D378 S382 I383 | V271-V380 HydrophobicContact CG2-CG2 4.39Å; F316-V380 HydrophobicContact CD1-CG1 4.01Å; F316-V380 HydrophobicContact CD2-CG1 3.92Å; F316-V380 HydrophobicContact CE1-CG1 3.53Å; F316-V380 HydrophobicContact CE2-CG1 3.43Å; F316-V380 VanDerWaalsContact CE2-CG1 3.43Å; F316-V380 HydrophobicContact CG-CG1 4.21Å; F316-V380 HydrophobicContact CZ-CG1 3.24Å; L353-V380 HydrophobicContact CD2-CG2 4.21Å; L356-V380 HydrophobicContact CB-CG2 4.19Å; A357-V380 HydrophobicContact CB-CB 4.47Å; A357-V380 HydrophobicContact CB-CG1 3.81Å; D378-V380 VanDerWaalsContact C-N 3.29Å; D378-V380 PolarHBondContact O-N 3.16Å; V380-S382 VanDerWaalsContact C-N 3.29Å; V380-S382 PolarHBondContact O-N 3.32Å; V380-I383 HydrophobicContact CG1-CD1 4.43Å; V380-I383 VanDerWaalsContact O-CB 3.24Å; V380-I383 WeakPolarHBondContact O-CB 3.4Å; V380-I383 PolarHBondContact O-N 2.65Å |
| 381 | S | 79.1 | Confident | 81.4 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.8 | -32.4 | -173.3 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | Q360 D378 I383 V384 Y385 | Q360-S381 PolarHBondContact NE2-OG 3.4Å; Q360-S381 PolarHBondContact OE1-OG 3.26Å; D378-S381 WeakPolarHBondContact OD1-CA 3.36Å; D378-S381 WeakPolarHBondContact OD1-CB 3.33Å; D378-S381 PolarHBondContact OD1-N 3Å; D378-S381 PolarHBondContact OD1-OG 2.89Å; S381-I383 PolarHBondContact O-N 3.12Å; S381-I383 VanDerWaalsContact O-N 3.12Å; S381-V384 PolarHBondContact O-N 2.91Å; S381-Y385 PolarHBondContact O-N 2.96Å |
| 382 | S | 85 | Confident | 79.6 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -47.6 | -31.5 | 166.4 | 46 | 0 | 0 | 0 | 0 | 114.6 | D378 V380 S386 | D378-S382 VanDerWaalsContact OD2-CB 3.32Å; D378-S382 WeakPolarHBondContact OD2-CB 3.43Å; D378-S382 PolarHBondContact OD2-N 3.1Å; D378-S382 PolarHBondContact OD2-OG 3.48Å; V380-S382 VanDerWaalsContact C-N 3.29Å; V380-S382 PolarHBondContact O-N 3.32Å; S382-S386 WeakPolarHBondContact O-CB 3.19Å; S382-S386 PolarHBondContact O-N 2.93Å; S382-S386 PolarHBondContact O-OG 3.45Å |
| 383 | I | 90.3 | Very high | 77.4 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.1 | -49.3 | 174.7 | -63.8 | 163.5 | 0 | 0 | 0 | 110.6 | I274 K275 L278 F316 V380 S381 S386 I387 | I274-I383 HydrophobicContact CG2-CD1 4.01Å; I274-I383 HydrophobicContact CG2-CG2 4.45Å; K275-I383 HydrophobicContact CD-CG1 4.41Å; K275-I383 HydrophobicContact CG-CD1 3.9Å; K275-I383 HydrophobicContact CG-CG1 3.65Å; L278-I383 HydrophobicContact CD1-CB 4.43Å; L278-I383 HydrophobicContact CD1-CG1 4.4Å; L278-I383 HydrophobicContact CD1-CG2 4Å; L278-I383 HydrophobicContact CD2-CG2 3.69Å; L278-I383 HydrophobicContact CG-CG2 4.49Å; F316-I383 HydrophobicContact CZ-CB 4.47Å; F316-I383 HydrophobicContact CZ-CD1 4Å; F316-I383 HydrophobicContact CZ-CG2 4.32Å; V380-I383 HydrophobicContact CG1-CD1 4.43Å; V380-I383 VanDerWaalsContact O-CB 3.24Å; V380-I383 WeakPolarHBondContact O-CB 3.4Å; V380-I383 PolarHBondContact O-N 2.65Å; S381-I383 PolarHBondContact O-N 3.12Å; S381-I383 VanDerWaalsContact O-N 3.12Å; I383-S386 WeakPolarHBondContact O-CB 3.35Å; I383-S386 PolarHBondContact O-N 3.35Å; I383-I387 HydrophobicContact CG2-CD1 3.95Å; I383-I387 WeakPolarHBondContact O-CG1 3.49Å; I383-I387 PolarHBondContact O-N 2.92Å |
| 384 | V | 89.9 | Confident | 75.5 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | -178.9 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | C311 T312 F316 S381 S386 I387 L388 | C311-V384 HydrophobicContact CB-CG1 4.06Å; T312-V384 HydrophobicContact CG2-CG2 4.07Å; F316-V384 HydrophobicContact CD2-CG2 4.21Å; F316-V384 HydrophobicContact CE2-CG2 3.79Å; S381-V384 PolarHBondContact O-N 2.91Å; V384-S386 VanDerWaalsContact C-N 3.32Å; V384-S386 PolarHBondContact O-N 3.41Å; V384-I387 PolarHBondContact O-N 3.48Å; V384-L388 HydrophobicContact CG1-CD1 4.14Å; V384-L388 WeakPolarHBondContact O-CG 3.08Å; V384-L388 PolarHBondContact O-N 2.99Å |
| 385 | Y | 88.4 | Confident | 73.8 | Confident | 163 Ų | 163 | 59 Ų | 59 | 64% | 0.639 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | 172.5 | -173.5 | -97.5 | 0 | 0 | 0 | 111.7 | S381 L388 C389 | S381-Y385 PolarHBondContact O-N 2.96Å; Y385-L388 PolarHBondContact O-N 3.39Å; Y385-C389 HydrophobicContact CE1-CB 4.38Å; Y385-C389 VanDerWaalsContact CE1-SG 3.59Å; Y385-C389 VanDerWaalsContact O-CB 3.26Å; Y385-C389 WeakPolarHBondContact O-CB 3.35Å; Y385-C389 PolarHBondContact O-N 3Å; Y385-C389 PolarHBondContact O-SG 3.43Å |
| 386 | S | 87.6 | Confident | 72.3 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 30% | 0.301 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | S382 I383 V384 L388 C389 N390 | S382-S386 WeakPolarHBondContact O-CB 3.19Å; S382-S386 PolarHBondContact O-N 2.93Å; S382-S386 PolarHBondContact O-OG 3.45Å; I383-S386 WeakPolarHBondContact O-CB 3.35Å; I383-S386 PolarHBondContact O-N 3.35Å; V384-S386 VanDerWaalsContact C-N 3.32Å; V384-S386 PolarHBondContact O-N 3.41Å; S386-L388 VanDerWaalsContact C-N 3.34Å; S386-L388 PolarHBondContact O-N 3.12Å; S386-C389 PolarHBondContact O-N 3.03Å; S386-N390 WeakPolarHBondContact O-CB 3.36Å; S386-N390 PolarHBondContact O-N 3.16Å |
| 387 | I | 88.4 | Confident | 71.9 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 176.8 | -65.1 | 160.2 | 0 | 0 | 0 | 111.7 | L278 F281 A286 L289 V315 I383 V384 | L278-I387 HydrophobicContact CD2-CD1 4.49Å; F281-I387 HydrophobicContact CD1-CG1 4.39Å; F281-I387 HydrophobicContact CD1-CG2 4.09Å; F281-I387 HydrophobicContact CD2-CD1 3.86Å; F281-I387 HydrophobicContact CD2-CG1 4.27Å; F281-I387 HydrophobicContact CE1-CD1 4.4Å; F281-I387 HydrophobicContact CE1-CG2 3.75Å; F281-I387 HydrophobicContact CE2-CD1 3.62Å; F281-I387 HydrophobicContact CE2-CG1 4.39Å; F281-I387 HydrophobicContact CG-CD1 4.34Å; F281-I387 HydrophobicContact CG-CG1 4.28Å; F281-I387 HydrophobicContact CZ-CD1 3.92Å; F281-I387 HydrophobicContact CZ-CG2 4.17Å; A286-I387 HydrophobicContact CB-CG2 4.09Å; L289-I387 HydrophobicContact CD1-CG2 3.82Å; V315-I387 HydrophobicContact CG1-CD1 4.49Å; I383-I387 HydrophobicContact CG2-CD1 3.95Å; I383-I387 WeakPolarHBondContact O-CG1 3.49Å; I383-I387 PolarHBondContact O-N 2.92Å; V384-I387 PolarHBondContact O-N 3.48Å |
| 388 | L | 86.2 | Confident | 72.2 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.4 | -32 | 177.4 | -69.7 | 172.6 | 0 | 0 | 0 | 113 | L289 R290 H293 C311 V384 Y385 S386 | L289-L388 HydrophobicContact CB-CD2 4.22Å; R290-L388 WeakPolarHBondContact CD-O 3.28Å; R290-L388 HydrophobicContact CG-CD2 3.99Å; H293-L388 HydrophobicContact CB-CD2 4.07Å; C311-L388 HydrophobicContact CB-CD1 4.47Å; V384-L388 HydrophobicContact CG1-CD1 4.14Å; V384-L388 WeakPolarHBondContact O-CG 3.08Å; V384-L388 PolarHBondContact O-N 2.99Å; Y385-L388 PolarHBondContact O-N 3.39Å; S386-L388 VanDerWaalsContact C-N 3.34Å; S386-L388 PolarHBondContact O-N 3.12Å |
| 389 | C | 80.1 | Confident | 72.3 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -92.9 | -21.1 | -176.4 | -63.2 | 0 | 0 | 0 | 0 | 114.3 | Y385 S386 S391 | Y385-C389 HydrophobicContact CE1-CB 4.38Å; Y385-C389 VanDerWaalsContact CE1-SG 3.59Å; Y385-C389 VanDerWaalsContact O-CB 3.26Å; Y385-C389 WeakPolarHBondContact O-CB 3.35Å; Y385-C389 PolarHBondContact O-N 3Å; Y385-C389 PolarHBondContact O-SG 3.43Å; S386-C389 PolarHBondContact O-N 3.03Å; C389-S391 PolarHBondContact O-N 2.86Å |
| 390 | N | 66 | Low | 72.5 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | trans | -69.6 | 75.8 | 175.9 | -81.8 | -4.2 | 0 | 0 | 0 | 111.9 | S386 S392 | S386-N390 WeakPolarHBondContact O-CB 3.36Å; S386-N390 PolarHBondContact O-N 3.16Å; N390-S392 PolarHBondContact O-N 3.37Å; N390-S392 VanDerWaalsContact O-N 3.16Å | ||
| 391 | S | 52.2 | Low | 72.2 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | trans | -80.7 | 76.1 | 158 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | C389 G393 | C389-S391 PolarHBondContact O-N 2.86Å; S391-G393 PolarHBondContact O-N 2.91Å | ||
| 392 | S | 48.3 | Very low | 72.1 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | trans | -47.1 | 126.1 | 164 | -56 | 0 | 0 | 0 | 0 | 108.6 | N390 | N390-S392 PolarHBondContact O-N 3.37Å; N390-S392 VanDerWaalsContact O-N 3.16Å | ||
| 393 | G | 42 | Very low | 71.2 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 141.7 | -155.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S391 L395 | S391-G393 PolarHBondContact O-N 2.91Å; G393-L395 PolarHBondContact O-N 3.45Å; G393-L395 VanDerWaalsContact O-N 3.09Å |
| 394 | N | 46.1 | Very low | 69.6 | Low | 153 Ų | 153 | 68.8 Ų | 68.8 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -16.1 | 174.8 | -50.6 | -29.3 | 0 | 0 | 0 | 117.7 | T396 | N394-T396 PolarHBondContact O-N 3.11Š|
| 395 | L | 52.5 | Low | 67.6 | Low | 75 Ų | 75 | 76 Ų | 76 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | trans | -75.4 | 84 | 179.1 | -55.4 | -177.7 | 0 | 0 | 0 | 111.6 | G393 D400 | G393-L395 PolarHBondContact O-N 3.45Å; G393-L395 VanDerWaalsContact O-N 3.09Å; L395-D400 HydrophobicContact CB-CB 4.37Å; L395-D400 HydrophobicContact CD2-CB 3.62Å | ||
| 396 | T | 55.8 | Low | 66 | Low | 122 Ų | 122 | 71 Ų | 71 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | trans | -106.8 | -33.4 | -176.1 | 61.6 | 0 | 0 | 0 | 0 | 113 | N394 D400 | N394-T396 PolarHBondContact O-N 3.11Å; T396-D400 PolarHBondContact N-OD2 2.91Å | ||
| 397 | G | 68.9 | Low | 64.9 | Low | 27 Ų | 27 | 73.8 Ų | 73.8 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -88.3 | 157.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E399 D400 | G397-E399 PolarHBondContact O-N 3.42Å; G397-D400 PolarHBondContact N-OD2 3.29Å; G397-D400 PolarHBondContact O-N 2.88Å |
| 398 | L | 78.5 | Confident | 64.4 | Low | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.068 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -28.2 | 166.9 | -172 | 63 | 0 | 0 | 0 | 111 | K150 V153 E154 W287 D400 I401 Y402 | K150-L398 HydrophobicContact CG-CD2 4.03Å; K150-L398 HydrophobicContact CG-CG 4.38Å; V153-L398 HydrophobicContact CG1-CD1 3.88Å; V153-L398 HydrophobicContact CG1-CD2 4.26Å; E154-L398 HydrophobicContact CG-CD2 3.53Å; W287-L398 HydrophobicContact CD2-CD1 3.81Å; W287-L398 HydrophobicContact CE3-CD1 3.86Å; W287-L398 HydrophobicContact CG-CD1 4.26Å; W287-L398 HydrophobicContact CH2-CB 4.44Å; W287-L398 HydrophobicContact CH2-CD1 4.38Å; W287-L398 HydrophobicContact CH2-CD2 4.09Å; W287-L398 HydrophobicContact CZ2-CB 3.93Å; W287-L398 HydrophobicContact CZ2-CD1 4.35Å; W287-L398 HydrophobicContact CZ2-CD2 4.41Å; W287-L398 HydrophobicContact CZ2-CG 4.47Å; W287-L398 HydrophobicContact CZ3-CD1 4.15Å; W287-L398 HydrophobicContact CZ3-CD2 4.31Å; L398-D400 VanDerWaalsContact C-N 3.34Å; L398-I401 HydrophobicContact CD1-CD1 4.39Å; L398-I401 WeakPolarHBondContact O-CB 3.29Å; L398-I401 PolarHBondContact O-N 2.56Å; L398-Y402 HydrophobicContact CD1-CD2 4.32Å; L398-Y402 HydrophobicContact CD1-CE2 3.68Å; L398-Y402 HydrophobicContact CG-CD2 4.15Å; L398-Y402 HydrophobicContact CG-CE2 3.91Å; L398-Y402 VanDerWaalsContact O-CD2 3.26Å; L398-Y402 WeakPolarHBondContact O-CD2 3.47Å |
| 399 | E | 77.9 | Confident | 64.2 | Low | 127 Ų | 127 | 76.6 Ų | 76.6 | 59% | 0.593 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.7 | -28.1 | -178.2 | -46.6 | -152.6 | 114.6 | 0 | 0 | 112.7 | K150 G397 I401 Y402 Q403 | K150-E399 IonicContact NZ-OE1 3.6Å; K150-E399 PolarHBondContact NZ-OE1 3.24Å; G397-E399 PolarHBondContact O-N 3.42Å; E399-I401 PolarHBondContact O-N 2.83Å; E399-Y402 CarbonylContact O-C 3.6Å; E399-Y402 PolarHBondContact O-N 2.93Å; E399-Y402 VanDerWaalsContact O-N 3.11Å; E399-Q403 WeakPolarHBondContact O-CG 3.38Å; E399-Q403 PolarHBondContact O-N 2.99Å; E399-Q403 VanDerWaalsContact O-N 3.12Å |
| 400 | D | 74.9 | Confident | 64.5 | Low | 49 Ų | 49 | 74.5 Ų | 74.5 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -29.4 | 175.4 | -56.6 | -40 | 0 | 0 | 0 | 111.8 | L395 T396 G397 L398 | L395-D400 HydrophobicContact CB-CB 4.37Å; L395-D400 HydrophobicContact CD2-CB 3.62Å; T396-D400 PolarHBondContact N-OD2 2.91Å; G397-D400 PolarHBondContact N-OD2 3.29Å; G397-D400 PolarHBondContact O-N 2.88Å; L398-D400 VanDerWaalsContact C-N 3.34Å |
| 401 | I | 77.3 | Confident | 65.5 | Low | 45 Ų | 45 | 70.9 Ų | 70.9 | 23% | 0.231 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.9 | -31.4 | 176.7 | -55.5 | 179.9 | 0 | 0 | 0 | 111 | P283 W287 L398 E399 | P283-I401 HydrophobicContact CB-CD1 4.43Å; P283-I401 HydrophobicContact CB-CG2 4.21Å; W287-I401 HydrophobicContact CB-CD1 4.04Å; W287-I401 HydrophobicContact CG-CD1 4.38Å; L398-I401 HydrophobicContact CD1-CD1 4.39Å; L398-I401 WeakPolarHBondContact O-CB 3.29Å; L398-I401 PolarHBondContact O-N 2.56Å; E399-I401 PolarHBondContact O-N 2.83Å |
| 402 | Y | 78 | Confident | 67.4 | Low | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 35.4 | -172.1 | -54.3 | -66.5 | 0 | 0 | 0 | 113.4 | L146 E149 K150 S284 L398 E399 L404 | L146-Y402 HydrophobicContact CB-CD1 4.27Å; L146-Y402 HydrophobicContact CD2-CD1 4.3Å; L146-Y402 HydrophobicContact CD2-CE1 4.41Å; E149-Y402 HydrophobicContact CB-CE1 4.26Å; E149-Y402 HydrophobicContact CG-CE1 4.25Å; E149-Y402 WeakPolarHBondContact CG-OH 3.24Å; E149-Y402 PolarHBondContact OE1-OH 3.2Å; E149-Y402 VanDerWaalsContact OE1-OH 3.05Å; K150-Y402 HydrophobicContact CB-CD2 3.72Å; K150-Y402 HydrophobicContact CB-CE2 3.79Å; K150-Y402 HydrophobicContact CB-CG 4.29Å; K150-Y402 HydrophobicContact CD-CD2 4.31Å; K150-Y402 HydrophobicContact CG-CD2 3.84Å; K150-Y402 HydrophobicContact CG-CE2 4.08Å; S284-Y402 VanDerWaalsContact CB-OH 3.3Å; S284-Y402 WeakPolarHBondContact CB-OH 3.44Å; L398-Y402 HydrophobicContact CD1-CD2 4.32Å; L398-Y402 HydrophobicContact CD1-CE2 3.68Å; L398-Y402 HydrophobicContact CG-CD2 4.15Å; L398-Y402 HydrophobicContact CG-CE2 3.91Å; L398-Y402 VanDerWaalsContact O-CD2 3.26Å; L398-Y402 WeakPolarHBondContact O-CD2 3.47Å; E399-Y402 CarbonylContact O-C 3.6Å; E399-Y402 PolarHBondContact O-N 2.93Å; E399-Y402 VanDerWaalsContact O-N 3.11Å; Y402-L404 WeakPolarHBondContact O-CB 3.42Å; Y402-L404 VanDerWaalsContact O-CG 3.29Å; Y402-L404 WeakPolarHBondContact O-CG 3.34Å; Y402-L404 PolarHBondContact O-N 3.16Å; Y402-L404 VanDerWaalsContact O-N 3.12Å |
| 403 | Q | 66.4 | Low | 69.5 | Low | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 37% | 0.367 | S | S | * | . | trans | -56.7 | 121 | 174.3 | -65.8 | -173.9 | -3.3 | 0 | 0 | 109.6 | E399 K407 | E399-Q403 WeakPolarHBondContact O-CG 3.38Å; E399-Q403 PolarHBondContact O-N 2.99Å; E399-Q403 VanDerWaalsContact O-N 3.12Å; Q403-K407 PolarHBondContact O-NZ 2.98Å | ||
| 404 | L | 55.5 | Low | 71.9 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | -109 | -2.5 | -146.9 | -114.8 | 159.3 | 0 | 0 | 0 | 114.9 | Y402 G406 K407 | Y402-L404 WeakPolarHBondContact O-CB 3.42Å; Y402-L404 VanDerWaalsContact O-CG 3.29Å; Y402-L404 WeakPolarHBondContact O-CG 3.34Å; Y402-L404 PolarHBondContact O-N 3.16Å; Y402-L404 VanDerWaalsContact O-N 3.12Å; L404-G406 PolarHBondContact O-N 2.76Å; L404-K407 HydrophobicContact CD2-CB 4.34Å; L404-K407 PolarHBondContact O-N 3.33Å | ||
| 405 | D | 48.7 | Very low | 74.1 | Confident | 157 Ų | 157 | 54.1 Ų | 54.1 | 84% | 0.84 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 123.4 | -172.6 | -66.5 | -19.4 | 0 | 0 | 0 | 113.1 | K407 | D405-K407 VanDerWaalsContact C-N 3.28Å; D405-K407 PolarHBondContact O-N 3.5Å |
| 406 | G | 54.4 | Low | 76 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 2.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L404 Q1224 | L404-G406 PolarHBondContact O-N 2.76Å; G406-Q1224 PolarHBondContact O-NE2 2.99Å |
| 407 | K | 64.4 | Low | 77.3 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | trans | -88.1 | 150.6 | -171.6 | -66.5 | 172.7 | -173.1 | 168.3 | 0 | 113.7 | L146 Q403 L404 D405 T409 | L146-K407 HydrophobicContact CD1-CD 4.04Å; Q403-K407 PolarHBondContact O-NZ 2.98Å; L404-K407 HydrophobicContact CD2-CB 4.34Å; L404-K407 PolarHBondContact O-N 3.33Å; D405-K407 VanDerWaalsContact C-N 3.28Å; D405-K407 PolarHBondContact O-N 3.5Å; K407-T409 PolarHBondContact O-N 2.94Å | ||
| 408 | L | 79.4 | Confident | 78.1 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | trans | -59.5 | 126 | -179.8 | -171.5 | 83 | 0 | 0 | 0 | 112.2 | V35 T39 F145 L1228 | V35-L408 HydrophobicContact CG1-CD1 4.07Å; T39-L408 HydrophobicContact CG2-CD1 3.81Å; T39-L408 HydrophobicContact CG2-CD2 4.29Å; T39-L408 HydrophobicContact CG2-CG 4.28Å; F145-L408 HydrophobicContact CD1-CD2 4.15Å; F145-L408 HydrophobicContact CD1-CG 4.43Å; F145-L408 HydrophobicContact CE1-CD2 3.69Å; F145-L408 HydrophobicContact CE1-CG 4.1Å; L408-L1228 HydrophobicContact CD1-CD1 4.08Å; L408-L1228 HydrophobicContact CD1-CG 4.28Å; L408-L1228 HydrophobicContact CD2-CD1 4.43Å; L408-L1228 HydrophobicContact CD2-CD2 3.57Å; L408-L1228 HydrophobicContact CD2-CG 3.77Å | ||
| 409 | T | 80.6 | Confident | 78.6 | Confident | 73 Ų | 73 | 54 Ų | 54 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | trans | -111.6 | 143.3 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | K407 H411 | K407-T409 PolarHBondContact O-N 2.94Å; T409-H411 PolarHBondContact O-N 3.33Å | ||
| 410 | R | 86.3 | Confident | 79 | Confident | 19 Ų | 19 | 48 Ų | 48 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | trans | -75.9 | 121.7 | 173.9 | -170.8 | 173.6 | 59.7 | 107.8 | -4.1 | 110.1 | V43 G138 A139 F145 D148 L412 I536 | V43-R410 HydrophobicContact CG2-CG 4.44Å; G138-R410 PolarHBondContact O-NH1 2.88Å; G138-R410 VanDerWaalsContact O-NH1 3.08Å; A139-R410 PolarHBondContact O-NH2 3.28Å; F145-R410 HydrophobicContact CB-CB 4.32Å; F145-R410 HydrophobicContact CD1-CB 3.99Å; F145-R410 HydrophobicContact CD2-CB 3.67Å; F145-R410 HydrophobicContact CD2-CG 4.02Å; F145-R410 HydrophobicContact CE1-CB 4.14Å; F145-R410 HydrophobicContact CE2-CB 3.85Å; F145-R410 HydrophobicContact CE2-CG 3.82Å; F145-R410 HydrophobicContact CG-CB 3.75Å; F145-R410 HydrophobicContact CZ-CB 4.08Å; F145-R410 HydrophobicContact CZ-CG 4.19Å; D148-R410 IonicContact OD1-CZ 2.99Å; D148-R410 IonicContact OD1-NE 2.83Å; D148-R410 PolarHBondContact OD1-NE 3.31Å; D148-R410 IonicContact OD1-NH2 2.86Å; D148-R410 PolarHBondContact OD1-NH2 3.42Å; D148-R410 WeakPolarHBondContact OD2-CD 3.44Å; D148-R410 IonicContact OD2-CZ 2.68Å; D148-R410 IonicContact OD2-NE 3.58Å; D148-R410 PolarHBondContact OD2-NE 2.91Å; D148-R410 IonicContact OD2-NH2 2.67Å; R410-L412 VanDerWaalsContact CD-O 3.26Å; R410-L412 WeakPolarHBondContact CD-O 3.46Å; R410-L412 WeakPolarHBondContact CG-O 3.44Å; R410-L412 PolarHBondContact NH1-O 3.46Å; R410-L412 VanDerWaalsContact NH1-O 3.12Å; R410-I536 HydrophobicContact CG-CD1 4.24Å | ||
| 411 | H | 87.7 | Confident | 79.2 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 7% | 0.069 | 26% | 0.258 | C | S | . | . | trans | -111.9 | -1 | 177.2 | 58.7 | -91.4 | 0 | 0 | 0 | 113.4 | T39 T409 P535 I536 S537 | T39-H411 PolarHBondContact OG1-CE1 3.42Å; T409-H411 PolarHBondContact O-N 3.33Å; H411-P535 CarbonylContact O-C 3.6Å; H411-P535 WeakPolarHBondContact O-CA 3.48Å; H411-I536 VanDerWaalsContact C-CG1 3.44Å; H411-I536 WeakPolarHBondContact O-CG1 3.33Å; H411-I536 PolarHBondContact O-N 3.04Å; H411-S537 WeakPolarHBondContact CA-OG 3.19Å; H411-S537 WeakPolarHBondContact CB-OG 3.25Å | ||
| 412 | L | 91.5 | Very high | 79.5 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.1 | 179.1 | -71.4 | 164.6 | 0 | 0 | 0 | 112.8 | V40 R410 L533 I534 | V40-L412 HydrophobicContact CG2-CD1 3.65Å; R410-L412 VanDerWaalsContact CD-O 3.26Å; R410-L412 WeakPolarHBondContact CD-O 3.46Å; R410-L412 WeakPolarHBondContact CG-O 3.44Å; R410-L412 PolarHBondContact NH1-O 3.46Å; R410-L412 VanDerWaalsContact NH1-O 3.12Å; L412-L533 HydrophobicContact CD2-CB 4.42Å; L412-I534 CarbonylContact C-O 3.59Å |
| 413 | S | 91.8 | Very high | 80 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.8 | 165.7 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | G138 L533 I534 | G138-S413 PolarHBondContact O-OG 3.44Å; S413-L533 CarbonylContact O-C 3.47Å; S413-L533 WeakPolarHBondContact O-CA 3.49Å; S413-I534 PolarHBondContact N-O 2.89Å; S413-I534 PolarHBondContact O-N 2.96Å |
| 414 | A | 94 | Very high | 80.6 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | V43 W47 V531 L532 L533 | V43-A414 HydrophobicContact CG1-CB 3.81Å; W47-A414 HydrophobicContact CB-CB 4.01Å; W47-A414 HydrophobicContact CG-CB 4.18Å; A414-V531 HydrophobicContact CB-CG1 3.96Å; A414-L532 WeakPolarHBondContact CA-O 3.48Å; A414-L533 HydrophobicContact CB-CD2 4.09Å |
| 415 | M | 91.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140 | 178.2 | -56.4 | -173.8 | 88.1 | 0 | 0 | 110.6 | L101 I134 E419 L420 L423 L532 | L101-M415 HydrophobicContact CD2-SD 4.21Å; I134-M415 HydrophobicContact CG2-CE 3.52Å; M415-E419 HydrophobicContact CB-CB 4.36Å; M415-E419 HydrophobicContact CE-CB 4.11Å; M415-L420 HydrophobicContact SD-CD1 4.11Å; M415-L423 HydrophobicContact CE-CB 4.34Å; M415-L423 HydrophobicContact CE-CD1 3.7Å; M415-L423 HydrophobicContact SD-CD1 4.19Å; M415-L532 PolarHBondContact N-O 3.37Å; M415-L532 VanDerWaalsContact N-O 3.09Å; M415-L532 WeakPolarHBondContact O-CB 3.28Å; M415-L532 PolarHBondContact O-N 3.44Å |
| 416 | T | 91.5 | Very high | 83.3 | Confident | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 161.6 | 164.8 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | W47 E418 E419 L420 P529 V531 | W47-T416 HydrophobicContact CH2-CG2 4.21Å; W47-T416 HydrophobicContact CZ2-CG2 3.62Å; T416-E418 PolarHBondContact O-N 2.7Å; T416-E419 WeakPolarHBondContact CB-OE2 3.4Å; T416-E419 WeakPolarHBondContact CG2-OE2 3.46Å; T416-E419 PolarHBondContact N-OE2 2.75Å; T416-E419 PolarHBondContact O-N 2.92Å; T416-E419 VanDerWaalsContact OG1-CG 3.25Å; T416-E419 WeakPolarHBondContact OG1-CG 3.25Å; T416-E419 PolarHBondContact OG1-N 3.48Å; T416-E419 PolarHBondContact OG1-OE2 3.04Å; T416-L420 WeakPolarHBondContact O-CB 3.37Å; T416-L420 PolarHBondContact O-N 3.04Å; T416-P529 HydrophobicContact CG2-CB 4.39Å; T416-V531 HydrophobicContact CG2-CG2 4.03Å |
| 417 | I | 84 | Confident | 84.5 | Confident | 76 Ų | 76 | 31.2 Ų | 31.2 | 39% | 0.39 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.5 | -32.7 | 175.5 | -63.8 | 170.1 | 0 | 0 | 0 | 111.2 | D421 L532 | I417-D421 WeakPolarHBondContact O-CB 3.42Å; I417-D421 PolarHBondContact O-N 2.7Å; I417-L532 HydrophobicContact CG1-CD1 3.81Å; I417-L532 HydrophobicContact CG1-CG 4.27Å |
| 418 | E | 85.4 | Confident | 85 | Confident | 123 Ų | 123 | 26.8 Ų | 26.8 | 58% | 0.575 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -75.5 | -41.6 | 179.3 | -169.2 | -177.1 | 157.4 | 0 | 0 | 112.8 | T416 L420 D421 K422 | T416-E418 PolarHBondContact O-N 2.7Å; E418-L420 VanDerWaalsContact C-N 3.28Å; E418-L420 PolarHBondContact O-N 3.46Å; E418-D421 PolarHBondContact O-N 3.46Å; E418-K422 HydrophobicContact CG-CD 4.42Å; E418-K422 WeakPolarHBondContact O-CG 3.33Å; E418-K422 PolarHBondContact O-N 2.9Å; E418-K422 VanDerWaalsContact O-N 3.1Å; E418-K422 WeakPolarHBondContact OE1-CE 3.46Å; E418-K422 IonicContact OE1-NZ 3.18Å; E418-K422 PolarHBondContact OE1-NZ 3.15Å |
| 419 | E | 89.9 | Confident | 84.8 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 170.6 | -72 | 167.9 | 96.4 | 0 | 0 | 111.1 | W47 H51 I134 S137 M415 T416 K422 L423 | W47-E419 PolarHBondContact NE1-OE1 3.18Å; W47-E419 PolarHBondContact NE1-OE2 3.1Å; H51-E419 IonicContact CE1-OE1 3.81Å; H51-E419 PolarHBondContact CE1-OE1 3.38Å; H51-E419 IonicContact NE2-OE1 3.68Å; I134-E419 HydrophobicContact CD1-CB 4.48Å; I134-E419 HydrophobicContact CG1-CB 4.28Å; I134-E419 HydrophobicContact CG1-CG 4.14Å; I134-E419 HydrophobicContact CG2-CB 4.32Å; I134-E419 WeakPolarHBondContact CG2-O 3.28Å; S137-E419 PolarHBondContact OG-OE1 2.86Å; M415-E419 HydrophobicContact CB-CB 4.36Å; M415-E419 HydrophobicContact CE-CB 4.11Å; T416-E419 WeakPolarHBondContact CB-OE2 3.4Å; T416-E419 WeakPolarHBondContact CG2-OE2 3.46Å; T416-E419 PolarHBondContact N-OE2 2.75Å; T416-E419 PolarHBondContact O-N 2.92Å; T416-E419 VanDerWaalsContact OG1-CG 3.25Å; T416-E419 WeakPolarHBondContact OG1-CG 3.25Å; T416-E419 PolarHBondContact OG1-N 3.48Å; T416-E419 PolarHBondContact OG1-OE2 3.04Å; E419-K422 PolarHBondContact O-N 3.34Å; E419-L423 WeakPolarHBondContact O-CB 3.48Å; E419-L423 PolarHBondContact O-N 2.9Å |
| 420 | L | 85.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | -179.4 | -171.4 | 67.1 | 0 | 0 | 0 | 112.4 | L97 M415 T416 E418 L423 V424 I534 | L97-L420 HydrophobicContact CD1-CD2 3.9Å; L97-L420 HydrophobicContact CD2-CD1 4.2Å; L97-L420 HydrophobicContact CD2-CD2 4.05Å; L97-L420 HydrophobicContact CD2-CG 4.25Å; M415-L420 HydrophobicContact SD-CD1 4.11Å; T416-L420 WeakPolarHBondContact O-CB 3.37Å; T416-L420 PolarHBondContact O-N 3.04Å; E418-L420 VanDerWaalsContact C-N 3.28Å; E418-L420 PolarHBondContact O-N 3.46Å; L420-L423 PolarHBondContact O-N 2.97Å; L420-V424 WeakPolarHBondContact O-CB 3.25Å; L420-V424 WeakPolarHBondContact O-CG2 3.21Å; L420-V424 PolarHBondContact O-N 2.8Å; L420-I534 HydrophobicContact CD1-CD1 3.91Å; L420-I534 HydrophobicContact CD2-CD1 4.17Å |
| 421 | D | 78.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 25.2 Ų | 25.2 | 28% | 0.278 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.3 | -45 | 174.7 | -173.9 | 21.3 | 0 | 0 | 0 | 111.5 | I417 E418 L423 V424 S425 F478 | I417-D421 WeakPolarHBondContact O-CB 3.42Å; I417-D421 PolarHBondContact O-N 2.7Å; E418-D421 PolarHBondContact O-N 3.46Å; D421-L423 PolarHBondContact O-N 3.14Å; D421-V424 PolarHBondContact O-N 3.05Å; D421-S425 WeakPolarHBondContact O-CB 3.2Å; D421-S425 PolarHBondContact O-N 3Å; D421-F478 HydrophobicContact CB-CD1 3.77Å; D421-F478 HydrophobicContact CB-CE1 4.09Å; D421-F478 WeakPolarHBondContact OD1-CA 3.4Å; D421-F478 VanDerWaalsContact OD1-CB 3.3Å; D421-F478 WeakPolarHBondContact OD1-CB 3.41Å; D421-F478 WeakPolarHBondContact OD1-CD1 3.42Å |
| 422 | K | 84.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 29.4 Ų | 29.4 | 26% | 0.261 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.4 | -70.7 | 167.3 | -173.1 | 171.2 | 0 | 112.6 | E130 I134 E418 E419 A426 | E130-K422 HydrophobicContact CG-CD 4.45Å; E130-K422 WeakPolarHBondContact OE1-CE 3.22Å; E130-K422 IonicContact OE1-NZ 2.65Å; E130-K422 PolarHBondContact OE1-NZ 2.91Å; I134-K422 HydrophobicContact CD1-CB 3.63Å; I134-K422 HydrophobicContact CD1-CD 3.7Å; I134-K422 HydrophobicContact CD1-CG 4.31Å; E418-K422 HydrophobicContact CG-CD 4.42Å; E418-K422 WeakPolarHBondContact O-CG 3.33Å; E418-K422 PolarHBondContact O-N 2.9Å; E418-K422 VanDerWaalsContact O-N 3.1Å; E418-K422 WeakPolarHBondContact OE1-CE 3.46Å; E418-K422 IonicContact OE1-NZ 3.18Å; E418-K422 PolarHBondContact OE1-NZ 3.15Å; E419-K422 PolarHBondContact O-N 3.34Å; K422-A426 WeakPolarHBondContact O-CB 3.47Å; K422-A426 PolarHBondContact O-N 3.35Å |
| 423 | L | 86.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 174.5 | -179.7 | 150.5 | 0 | 0 | 0 | 111.7 | L100 L101 L104 I134 F135 M415 E419 L420 D421 A426 Y427 | L100-L423 HydrophobicContact CD2-CD2 4.01Å; L100-L423 HydrophobicContact CG-CD2 4.48Å; L101-L423 HydrophobicContact CD2-CD1 4.08Å; L104-L423 HydrophobicContact CD1-CD1 4.36Å; L104-L423 HydrophobicContact CD1-CD2 3.81Å; L104-L423 HydrophobicContact CD1-CG 4.35Å; I134-L423 HydrophobicContact CG2-CB 3.89Å; I134-L423 HydrophobicContact CG2-CD1 4.37Å; F135-L423 HydrophobicContact CE1-CD1 4.45Å; F135-L423 HydrophobicContact CZ-CG 4.39Å; M415-L423 HydrophobicContact CE-CB 4.34Å; M415-L423 HydrophobicContact CE-CD1 3.7Å; M415-L423 HydrophobicContact SD-CD1 4.19Å; E419-L423 WeakPolarHBondContact O-CB 3.48Å; E419-L423 PolarHBondContact O-N 2.9Å; L420-L423 PolarHBondContact O-N 2.97Å; D421-L423 PolarHBondContact O-N 3.14Å; L423-A426 PolarHBondContact O-N 2.98Å; L423-Y427 WeakPolarHBondContact O-CB 3.31Å; L423-Y427 PolarHBondContact O-N 3.25Å |
| 424 | V | 80.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.4 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | L97 L100 L420 D421 A426 Y427 C428 L474 F478 | L97-V424 HydrophobicContact CD2-CG2 4.3Å; L100-V424 HydrophobicContact CD2-CG2 3.88Å; L420-V424 WeakPolarHBondContact O-CB 3.25Å; L420-V424 WeakPolarHBondContact O-CG2 3.21Å; L420-V424 PolarHBondContact O-N 2.8Å; D421-V424 PolarHBondContact O-N 3.05Å; V424-A426 PolarHBondContact O-N 3.46Å; V424-Y427 PolarHBondContact O-N 2.87Å; V424-C428 WeakPolarHBondContact O-CB 3.37Å; V424-C428 PolarHBondContact O-N 2.94Å; V424-C428 PolarHBondContact O-SG 2.89Å; V424-C428 VanDerWaalsContact O-SG 3.35Å; V424-L474 HydrophobicContact CG1-CD1 3.91Å; V424-L474 HydrophobicContact CG1-CD2 4.24Å; V424-L474 HydrophobicContact CG1-CG 4.5Å; V424-L474 HydrophobicContact CG2-CD2 4.23Å; V424-F478 HydrophobicContact CG1-CB 4.45Å |
| 425 | S | 78 | Confident | 79.7 | Confident | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | D421 C428 T429 | D421-S425 WeakPolarHBondContact O-CB 3.2Å; D421-S425 PolarHBondContact O-N 3Å; S425-C428 PolarHBondContact O-N 3.32Å; S425-T429 VanDerWaalsContact O-CB 3.24Å; S425-T429 WeakPolarHBondContact O-CB 3.47Å; S425-T429 PolarHBondContact O-N 3.12Å; S425-T429 PolarHBondContact O-OG1 3.45Å |
| 426 | A | 81.6 | Confident | 78 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I114 K422 L423 V424 F430 | I114-A426 HydrophobicContact CG2-CB 4.13Å; K422-A426 WeakPolarHBondContact O-CB 3.47Å; K422-A426 PolarHBondContact O-N 3.35Å; L423-A426 PolarHBondContact O-N 2.98Å; V424-A426 PolarHBondContact O-N 3.46Å; A426-F430 PolarHBondContact O-N 3.48Å |
| 427 | Y | 80.9 | Confident | 76 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -49 | 175 | 170.3 | -98.6 | 0 | 0 | 0 | 112.3 | L100 L104 L110 I114 L423 V424 T429 F430 V431 M467 V471 | L100-Y427 HydrophobicContact CD1-CD1 3.87Å; L100-Y427 HydrophobicContact CD1-CD2 4.08Å; L100-Y427 HydrophobicContact CD1-CE1 3.93Å; L100-Y427 HydrophobicContact CD1-CE2 4.15Å; L100-Y427 HydrophobicContact CD1-CG 3.96Å; L104-Y427 HydrophobicContact CD2-CD2 4.4Å; L110-Y427 HydrophobicContact CD2-CE2 4.4Å; I114-Y427 HydrophobicContact CD1-CD2 4.01Å; L423-Y427 WeakPolarHBondContact O-CB 3.31Å; L423-Y427 PolarHBondContact O-N 3.25Å; V424-Y427 PolarHBondContact O-N 2.87Å; Y427-T429 VanDerWaalsContact C-N 3.34Å; Y427-T429 PolarHBondContact O-N 3.4Å; Y427-F430 WeakPolarHBondContact O-CB 3.45Å; Y427-F430 PolarHBondContact O-N 3.21Å; Y427-F430 VanDerWaalsContact O-N 3.15Å; Y427-V431 HydrophobicContact CE1-CG2 4.06Å; Y427-V431 HydrophobicContact CE2-CG2 4.05Å; Y427-V431 WeakPolarHBondContact O-CG2 3.43Å; Y427-V431 PolarHBondContact O-N 3.38Å; Y427-M467 HydrophobicContact CE2-CE 4.25Å; Y427-M467 WeakPolarHBondContact OH-CG 3.41Å; Y427-V471 HydrophobicContact CE1-CG2 3.86Å |
| 428 | C | 74.2 | Confident | 73.9 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.6 | -74.3 | 0 | 0 | 0 | 0 | 111.8 | V424 S425 F430 V431 I432 | V424-C428 WeakPolarHBondContact O-CB 3.37Å; V424-C428 PolarHBondContact O-N 2.94Å; V424-C428 PolarHBondContact O-SG 2.89Å; V424-C428 VanDerWaalsContact O-SG 3.35Å; S425-C428 PolarHBondContact O-N 3.32Å; C428-F430 VanDerWaalsContact C-N 3.32Å; C428-F430 PolarHBondContact O-N 2.97Å; C428-V431 PolarHBondContact O-N 3.16Å; C428-I432 WeakPolarHBondContact O-CB 3.43Å; C428-I432 VanDerWaalsContact O-CG1 3.24Å; C428-I432 WeakPolarHBondContact O-CG1 3.33Å; C428-I432 PolarHBondContact O-N 3.4Å |
| 429 | T | 75.4 | Confident | 71.6 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | L121 S425 Y427 I432 V433 | L121-T429 HydrophobicContact CD1-CG2 3.93Å; S425-T429 VanDerWaalsContact O-CB 3.24Å; S425-T429 WeakPolarHBondContact O-CB 3.47Å; S425-T429 PolarHBondContact O-N 3.12Å; S425-T429 PolarHBondContact O-OG1 3.45Å; Y427-T429 VanDerWaalsContact C-N 3.34Å; Y427-T429 PolarHBondContact O-N 3.4Å; T429-I432 PolarHBondContact O-N 3.38Å; T429-V433 HydrophobicContact CG2-CG2 4.37Å; T429-V433 WeakPolarHBondContact O-CB 3.45Å; T429-V433 WeakPolarHBondContact O-CG2 3.37Å; T429-V433 PolarHBondContact O-N 3.44Å |
| 430 | F | 80 | Confident | 69.1 | Low | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.7 | 174.7 | -97.6 | 0 | 0 | 0 | 112.8 | L110 N113 I114 L117 A426 Y427 C428 K434 | L110-F430 HydrophobicContact CD1-CD1 3.97Å; L110-F430 HydrophobicContact CD1-CE1 3.45Å; L110-F430 VanDerWaalsContact CD1-CE1 3.45Å; L110-F430 HydrophobicContact CD1-CZ 4.13Å; N113-F430 HydrophobicContact CB-CE2 3.61Å; N113-F430 HydrophobicContact CB-CZ 3.7Å; I114-F430 HydrophobicContact CB-CB 4.43Å; I114-F430 HydrophobicContact CB-CG 4.47Å; I114-F430 HydrophobicContact CG1-CB 3.81Å; I114-F430 HydrophobicContact CG1-CD1 3.89Å; I114-F430 HydrophobicContact CG1-CD2 4.14Å; I114-F430 HydrophobicContact CG1-CG 3.67Å; I114-F430 HydrophobicContact CG2-CB 4.43Å; L117-F430 HydrophobicContact CB-CD2 4.24Å; L117-F430 HydrophobicContact CD2-CB 4.08Å; L117-F430 HydrophobicContact CD2-CD2 3.94Å; L117-F430 HydrophobicContact CD2-CG 4.49Å; A426-F430 PolarHBondContact O-N 3.48Å; Y427-F430 WeakPolarHBondContact O-CB 3.45Å; Y427-F430 PolarHBondContact O-N 3.21Å; Y427-F430 VanDerWaalsContact O-N 3.15Å; C428-F430 VanDerWaalsContact C-N 3.32Å; C428-F430 PolarHBondContact O-N 2.97Å; F430-K434 HydrophobicContact CD1-CG 4.47Å; F430-K434 HydrophobicContact CD2-CG 4.2Å; F430-K434 HydrophobicContact CE1-CG 4.06Å; F430-K434 HydrophobicContact CE2-CD 4.21Å; F430-K434 HydrophobicContact CE2-CG 3.76Å; F430-K434 HydrophobicContact CZ-CD 4.24Å; F430-K434 HydrophobicContact CZ-CG 3.69Å; F430-K434 WeakPolarHBondContact O-CB 3.36Å; F430-K434 WeakPolarHBondContact O-CG 3.42Å; F430-K434 PolarHBondContact O-N 2.72Å |
| 431 | V | 73 | Confident | 66.8 | Low | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.085 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | Y427 C428 K434 L435 | Y427-V431 HydrophobicContact CE1-CG2 4.06Å; Y427-V431 HydrophobicContact CE2-CG2 4.05Å; Y427-V431 WeakPolarHBondContact O-CG2 3.43Å; Y427-V431 PolarHBondContact O-N 3.38Å; C428-V431 PolarHBondContact O-N 3.16Å; V431-K434 PolarHBondContact O-N 3.48Å; V431-L435 HydrophobicContact CG1-CD1 3.81Å; V431-L435 HydrophobicContact CG1-CG 4.48Å; V431-L435 WeakPolarHBondContact O-CB 3.48Å; V431-L435 VanDerWaalsContact O-CG 3.26Å; V431-L435 WeakPolarHBondContact O-CG 3.38Å; V431-L435 PolarHBondContact O-N 3.4Å |
| 432 | I | 71.9 | Confident | 64.8 | Low | 102 Ų | 102 | 63.8 Ų | 63.8 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 179.5 | -69 | 165.1 | 0 | 0 | 0 | 111.3 | C428 T429 K434 L435 A436 | C428-I432 WeakPolarHBondContact O-CB 3.43Å; C428-I432 VanDerWaalsContact O-CG1 3.24Å; C428-I432 WeakPolarHBondContact O-CG1 3.33Å; C428-I432 PolarHBondContact O-N 3.4Å; T429-I432 PolarHBondContact O-N 3.38Å; I432-K434 PolarHBondContact O-N 3.34Å; I432-L435 PolarHBondContact O-N 2.87Å; I432-A436 WeakPolarHBondContact O-CB 3.49Å; I432-A436 PolarHBondContact O-N 3.15Å |
| 433 | V | 72.3 | Confident | 62.7 | Low | 51 Ų | 51 | 65.9 Ų | 65.9 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L117 T429 L435 A436 A437 | L117-V433 HydrophobicContact CD1-CB 4.44Å; L117-V433 HydrophobicContact CD1-CG1 3.89Å; L117-V433 HydrophobicContact CD2-CB 3.9Å; L117-V433 HydrophobicContact CD2-CG1 4.25Å; L117-V433 HydrophobicContact CD2-CG2 4.17Å; T429-V433 HydrophobicContact CG2-CG2 4.37Å; T429-V433 WeakPolarHBondContact O-CB 3.45Å; T429-V433 WeakPolarHBondContact O-CG2 3.37Å; T429-V433 PolarHBondContact O-N 3.44Å; V433-L435 VanDerWaalsContact C-N 3.33Å; V433-L435 PolarHBondContact O-N 3.02Å; V433-A436 PolarHBondContact O-N 2.79Å; V433-A437 WeakPolarHBondContact O-CB 3.22Å; V433-A437 PolarHBondContact O-N 3.49Å |
| 434 | K | 68.7 | Low | 60.3 | Low | 106 Ų | 106 | 70.8 Ų | 70.8 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 174.8 | -73.8 | -66.6 | -174.5 | -178 | 0 | 113.2 | F430 V431 I432 | F430-K434 HydrophobicContact CD1-CG 4.47Å; F430-K434 HydrophobicContact CD2-CG 4.2Å; F430-K434 HydrophobicContact CE1-CG 4.06Å; F430-K434 HydrophobicContact CE2-CD 4.21Å; F430-K434 HydrophobicContact CE2-CG 3.76Å; F430-K434 HydrophobicContact CZ-CD 4.24Å; F430-K434 HydrophobicContact CZ-CG 3.69Å; F430-K434 WeakPolarHBondContact O-CB 3.36Å; F430-K434 WeakPolarHBondContact O-CG 3.42Å; F430-K434 PolarHBondContact O-N 2.72Å; V431-K434 PolarHBondContact O-N 3.48Å; I432-K434 PolarHBondContact O-N 3.34Å |
| 435 | L | 58.8 | Low | 58.2 | Low | 92 Ų | 92 | 75.1 Ų | 75.1 | 48% | 0.482 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.8 | -45.1 | 171.8 | -70.5 | 167.1 | 0 | 0 | 0 | 111.6 | V431 I432 V433 W464 | V431-L435 HydrophobicContact CG1-CD1 3.81Å; V431-L435 HydrophobicContact CG1-CG 4.48Å; V431-L435 WeakPolarHBondContact O-CB 3.48Å; V431-L435 VanDerWaalsContact O-CG 3.26Å; V431-L435 WeakPolarHBondContact O-CG 3.38Å; V431-L435 PolarHBondContact O-N 3.4Å; I432-L435 PolarHBondContact O-N 2.87Å; V433-L435 VanDerWaalsContact C-N 3.33Å; V433-L435 PolarHBondContact O-N 3.02Å; L435-W464 HydrophobicContact CD2-CH2 4.22Å; L435-W464 HydrophobicContact CD2-CZ2 3.94Å |
| 436 | A | 56.1 | Low | 56.2 | Low | 82 Ų | 82 | 78.3 Ų | 78.3 | 68% | 0.678 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -71.6 | -30.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I432 V433 V438 | I432-A436 WeakPolarHBondContact O-CB 3.49Å; I432-A436 PolarHBondContact O-N 3.15Å; V433-A436 PolarHBondContact O-N 2.79Å; A436-V438 PolarHBondContact O-N 2.84Å; A436-V438 VanDerWaalsContact O-N 3.11Å |
| 437 | A | 50.1 | Low | 54 | Low | 75 Ų | 75 | 84.5 Ų | 84.5 | 62% | 0.62 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 4.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | V433 P439 | V433-A437 WeakPolarHBondContact O-CB 3.22Å; V433-A437 PolarHBondContact O-N 3.49Å; A437-P439 WeakPolarHBondContact O-CD 3.47Å |
| 438 | V | 37.9 | Very low | 51.7 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 19% | 0.194 | 47% | 0.471 | C | S | . | . | trans | -108.6 | 103.3 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | A436 F440 K442 L443 I446 | A436-V438 PolarHBondContact O-N 2.84Å; A436-V438 VanDerWaalsContact O-N 3.11Å; V438-F440 PolarHBondContact O-N 3.2Å; V438-K442 HydrophobicContact CG1-CB 3.93Å; V438-L443 HydrophobicContact CG1-CG 4.05Å; V438-I446 HydrophobicContact CG2-CD1 4.16Å | ||
| 439 | P | 37.1 | Very low | 49.9 | Very low | 89 Ų | 89 | 97.4 Ų | 97.4 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | trans | -54.4 | 135.2 | 159.4 | -19.8 | 31.5 | 0 | 0 | 0 | 108.2 | A437 F441 K442 | A437-P439 WeakPolarHBondContact O-CD 3.47Å; P439-F441 PolarHBondContact O-N 2.95Å; P439-K442 PolarHBondContact O-N 3.11Å | ||
| 440 | F | 38.5 | Very low | 48 | Very low | 198 Ų | 198 | 98.2 Ų | 98.2 | 87% | 0.868 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -46.7 | -27.3 | -166.2 | -156.8 | -99.5 | 0 | 0 | 0 | 115.4 | V438 | V438-F440 PolarHBondContact O-N 3.2Š|
| 441 | F | 37.3 | Very low | 45.7 | Very low | 193 Ų | 193 | 101.7 Ų | 101.7 | 85% | 0.846 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -75.4 | -13.7 | 177.6 | -136.9 | -99.8 | 0 | 0 | 0 | 116 | P439 | P439-F441 PolarHBondContact O-N 2.95Š|
| 442 | K | 37.7 | Very low | 43.6 | Very low | 121 Ų | 121 | 105.8 Ų | 105.8 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -99.3 | -4.6 | -170.9 | -112.2 | -177 | 179.9 | -178.9 | 0 | 115.9 | V438 P439 N444 L445 | V438-K442 HydrophobicContact CG1-CB 3.93Å; P439-K442 PolarHBondContact O-N 3.11Å; K442-N444 PolarHBondContact O-N 3.46Å; K442-L445 HydrophobicContact CG-CB 4.32Å; K442-L445 HydrophobicContact CG-CD2 4.44Å; K442-L445 WeakPolarHBondContact O-CB 3.2Å; K442-L445 PolarHBondContact O-N 3.22Å |
| 443 | L | 38.9 | Very low | 41.5 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -52 | -40.9 | 169.1 | -90 | 162.1 | 0 | 0 | 0 | 111.2 | V438 L445 I446 R447 | V438-L443 HydrophobicContact CG1-CG 4.05Å; L443-L445 PolarHBondContact O-N 3.38Å; L443-L445 VanDerWaalsContact O-N 3.14Å; L443-I446 PolarHBondContact O-N 3.07Å; L443-R447 WeakPolarHBondContact O-CB 3.24Å; L443-R447 PolarHBondContact O-N 3.34Å |
| 444 | N | 37.1 | Very low | 39.5 | Very low | 104 Ų | 104 | 106.9 Ų | 106.9 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -12.6 | 177 | -69 | -23.1 | 0 | 0 | 0 | 114.8 | K442 R448 | K442-N444 PolarHBondContact O-N 3.46Å; N444-R448 WeakPolarHBondContact O-CB 3.48Å; N444-R448 WeakPolarHBondContact O-CG 3.29Å; N444-R448 PolarHBondContact O-N 3.27Å; N444-R448 VanDerWaalsContact O-N 3.12Å |
| 445 | L | 36.3 | Very low | 37.7 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -91.2 | -36.5 | 176.3 | -166.8 | 65.5 | 0 | 0 | 0 | 112.3 | K442 L443 R447 R448 V449 | K442-L445 HydrophobicContact CG-CB 4.32Å; K442-L445 HydrophobicContact CG-CD2 4.44Å; K442-L445 WeakPolarHBondContact O-CB 3.2Å; K442-L445 PolarHBondContact O-N 3.22Å; L443-L445 PolarHBondContact O-N 3.38Å; L443-L445 VanDerWaalsContact O-N 3.14Å; L445-R447 VanDerWaalsContact C-N 3.31Å; L445-R448 PolarHBondContact O-N 3.05Å; L445-V449 WeakPolarHBondContact O-CG2 3.33Å; L445-V449 PolarHBondContact O-N 3.37Å |
| 446 | I | 37.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 105.5 Ų | 105.5 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.8 | -44.6 | 167.9 | -64.2 | 175 | 0 | 0 | 0 | 108.6 | V438 L443 R448 V449 C450 | V438-I446 HydrophobicContact CG2-CD1 4.16Å; L443-I446 PolarHBondContact O-N 3.07Å; I446-R448 PolarHBondContact O-N 3.49Å; I446-V449 PolarHBondContact O-N 3.47Å; I446-V449 VanDerWaalsContact O-N 3.09Å; I446-C450 PolarHBondContact O-N 2.98Å; I446-C450 VanDerWaalsContact O-N 3.1Å |
| 447 | R | 34.1 | Very low | 35.6 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -49.7 | -52.8 | 170.3 | -161.4 | -170.2 | 168.2 | 100.9 | 12.5 | 111.5 | L443 L445 V449 C450 E451 | L443-R447 WeakPolarHBondContact O-CB 3.24Å; L443-R447 PolarHBondContact O-N 3.34Å; L445-R447 VanDerWaalsContact C-N 3.31Å; R447-V449 VanDerWaalsContact C-N 3.33Å; R447-V449 PolarHBondContact O-N 2.81Å; R447-C450 CarbonylContact O-C 3.59Å; R447-C450 WeakPolarHBondContact O-CB 3.43Å; R447-C450 PolarHBondContact O-N 3.4Å; R447-C450 VanDerWaalsContact O-N 3.07Å; R447-E451 WeakPolarHBondContact CD-OE1 3.33Å; R447-E451 HydrophobicContact CG-CG 4.33Å; R447-E451 WeakPolarHBondContact CG-OE1 3.4Å; R447-E451 IonicContact CZ-OE1 3.56Å; R447-E451 IonicContact NE-OE1 2.75Å; R447-E451 PolarHBondContact NE-OE1 3.31Å; R447-E451 IonicContact NH2-OE1 3.49Å; R447-E451 PolarHBondContact NH2-OE1 2.89Å; R447-E451 VanDerWaalsContact O-CG 3.29Å; R447-E451 WeakPolarHBondContact O-CG 3.27Å; R447-E451 PolarHBondContact O-N 2.9Å |
| 448 | R | 32.1 | Very low | 35.2 | Very low | 174 Ų | 174 | 106 Ų | 106 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.8 | -28 | 177.7 | -85 | 179.9 | 170.2 | -176 | -3.2 | 115.7 | N444 L445 I446 S452 | N444-R448 WeakPolarHBondContact O-CB 3.48Å; N444-R448 WeakPolarHBondContact O-CG 3.29Å; N444-R448 PolarHBondContact O-N 3.27Å; N444-R448 VanDerWaalsContact O-N 3.12Å; L445-R448 PolarHBondContact O-N 3.05Å; I446-R448 PolarHBondContact O-N 3.49Å; R448-S452 WeakPolarHBondContact O-CB 3.48Å; R448-S452 PolarHBondContact O-N 3.47Å; R448-S452 VanDerWaalsContact O-N 3.13Å; R448-S452 PolarHBondContact O-OG 2.9Å |
| 449 | V | 36.9 | Very low | 35.2 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.9 | -27.9 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L445 I446 R447 | L445-V449 WeakPolarHBondContact O-CG2 3.33Å; L445-V449 PolarHBondContact O-N 3.37Å; I446-V449 PolarHBondContact O-N 3.47Å; I446-V449 VanDerWaalsContact O-N 3.09Å; R447-V449 VanDerWaalsContact C-N 3.33Å; R447-V449 PolarHBondContact O-N 2.81Å |
| 450 | C | 35.8 | Very low | 35.1 | Very low | 62 Ų | 62 | 110.3 Ų | 110.3 | 42% | 0.419 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.7 | -39.3 | 167.4 | -64 | 0 | 0 | 0 | 0 | 112.4 | I446 R447 S452 S453 | I446-C450 PolarHBondContact O-N 2.98Å; I446-C450 VanDerWaalsContact O-N 3.1Å; R447-C450 CarbonylContact O-C 3.59Å; R447-C450 WeakPolarHBondContact O-CB 3.43Å; R447-C450 PolarHBondContact O-N 3.4Å; R447-C450 VanDerWaalsContact O-N 3.07Å; C450-S452 PolarHBondContact O-N 3.36Å; C450-S453 PolarHBondContact O-N 3.06Å |
| 451 | E | 30.9 | Very low | 35.1 | Very low | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.3 | -7.3 | 179.7 | -66.6 | 166.5 | 151.1 | 0 | 0 | 114.3 | R447 | R447-E451 WeakPolarHBondContact CD-OE1 3.33Å; R447-E451 HydrophobicContact CG-CG 4.33Å; R447-E451 WeakPolarHBondContact CG-OE1 3.4Å; R447-E451 IonicContact CZ-OE1 3.56Å; R447-E451 IonicContact NE-OE1 2.75Å; R447-E451 PolarHBondContact NE-OE1 3.31Å; R447-E451 IonicContact NH2-OE1 3.49Å; R447-E451 PolarHBondContact NH2-OE1 2.89Å; R447-E451 VanDerWaalsContact O-CG 3.29Å; R447-E451 WeakPolarHBondContact O-CG 3.27Å; R447-E451 PolarHBondContact O-N 2.9Å |
| 452 | S | 30.7 | Very low | 35.4 | Very low | 100 Ų | 100 | 101.2 Ų | 101.2 | 70% | 0.699 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 1.8 | 176 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | R448 C450 | R448-S452 WeakPolarHBondContact O-CB 3.48Å; R448-S452 PolarHBondContact O-N 3.47Å; R448-S452 VanDerWaalsContact O-N 3.13Å; R448-S452 PolarHBondContact O-OG 2.9Å; C450-S452 PolarHBondContact O-N 3.36Å |
| 453 | S | 27 | Very low | 35.6 | Very low | 84 Ų | 84 | 98 Ų | 98 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -90.5 | 148.9 | 149.8 | -175 | 0 | 0 | 0 | 0 | 108.4 | C450 S455 | C450-S453 PolarHBondContact O-N 3.06Å; S453-S455 PolarHBondContact O-N 3.46Å; S453-S455 VanDerWaalsContact O-N 3.12Å |
| 454 | A | 29.7 | Very low | 35.9 | Very low | 92 Ų | 92 | 97.7 Ų | 97.7 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -59.6 | 119.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 455 | S | 31.5 | Very low | 36.4 | Very low | 101 Ų | 101 | 96.2 Ų | 96.2 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | trans | 35.9 | 97.3 | 176 | 56.1 | 0 | 0 | 0 | 0 | 115.7 | S453 | S453-S455 PolarHBondContact O-N 3.46Å; S453-S455 VanDerWaalsContact O-N 3.12Å | ||
| 456 | P | 34.4 | Very low | 36.9 | Very low | 68 Ų | 68 | 96 Ų | 96 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | trans | -57.9 | 129.9 | 168.4 | 26.2 | -33.5 | 0 | 0 | 0 | 109.2 | ||||
| 457 | P | 35.5 | Very low | 37.4 | Very low | 59 Ų | 59 | 92.2 Ų | 92.2 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | trans | -66.5 | 151.2 | 179.3 | 26.4 | -31.9 | 0 | 0 | 0 | 110.2 | E459 V460 | P457-E459 HydrophobicContact CB-CB 4.46Å; P457-E459 PolarHBondContact O-N 2.96Å; P457-V460 HydrophobicContact CG-CG2 4.1Å; P457-V460 PolarHBondContact O-N 3.2Å | ||
| 458 | P | 43.3 | Very low | 38.2 | Very low | 108 Ų | 108 | 90 Ų | 90 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.6 | -176.8 | 23.1 | -33.8 | 0 | 0 | 0 | 112.9 | V460 E461 T462 | P458-V460 PolarHBondContact O-N 3.34Å; P458-V460 VanDerWaalsContact O-N 3.16Å; P458-E461 PolarHBondContact O-N 3.01Å; P458-E461 VanDerWaalsContact O-N 3.09Å; P458-T462 PolarHBondContact O-N 2.95Å; P458-T462 VanDerWaalsContact O-N 3.12Å |
| 459 | E | 36.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 88.1 Ų | 88.1 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -48.4 | -34.2 | 172.7 | -62 | 160.3 | 170.2 | 0 | 0 | 113.8 | P457 T462 V463 | P457-E459 HydrophobicContact CB-CB 4.46Å; P457-E459 PolarHBondContact O-N 2.96Å; E459-T462 WeakPolarHBondContact CA-OG1 3.48Å; E459-T462 PolarHBondContact O-OG1 3.4Å; E459-V463 VanDerWaalsContact O-CB 3.26Å; E459-V463 WeakPolarHBondContact O-CB 3.5Å; E459-V463 WeakPolarHBondContact O-CG2 3.41Å; E459-V463 PolarHBondContact O-N 3.32Å |
| 460 | V | 35.6 | Very low | 39.9 | Very low | 81 Ų | 81 | 84 Ų | 84 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.5 | -32.7 | -178 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | P457 P458 W464 | P457-V460 HydrophobicContact CG-CG2 4.1Å; P457-V460 PolarHBondContact O-N 3.2Å; P458-V460 PolarHBondContact O-N 3.34Å; P458-V460 VanDerWaalsContact O-N 3.16Å; V460-W464 WeakPolarHBondContact O-CB 3.45Å; V460-W464 PolarHBondContact O-N 3.45Å; V460-W464 VanDerWaalsContact O-N 3.09Å |
| 461 | E | 39.2 | Very low | 40.6 | Very low | 129 Ų | 129 | 83.4 Ų | 83.4 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -89.1 | -23.2 | -179.5 | -164 | 152.2 | -147.4 | 0 | 0 | 112.1 | P458 N465 | P458-E461 PolarHBondContact O-N 3.01Å; P458-E461 VanDerWaalsContact O-N 3.09Å; E461-N465 PolarHBondContact O-N 3.34Å; E461-N465 PolarHBondContact O-ND2 2.96Å |
| 462 | T | 43 | Very low | 41.6 | Very low | 70 Ų | 70 | 83.3 Ų | 83.3 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -52.8 | 161.8 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | P458 E459 W464 N465 E466 | P458-T462 PolarHBondContact O-N 2.95Å; P458-T462 VanDerWaalsContact O-N 3.12Å; E459-T462 WeakPolarHBondContact CA-OG1 3.48Å; E459-T462 PolarHBondContact O-OG1 3.4Å; T462-W464 VanDerWaalsContact C-N 3.29Å; T462-W464 PolarHBondContact O-N 3.28Å; T462-N465 CarbonylContact O-C 3.59Å; T462-N465 WeakPolarHBondContact O-CA 3.49Å; T462-N465 PolarHBondContact O-N 3.26Å; T462-E466 WeakPolarHBondContact O-CG 2.87Å; T462-E466 PolarHBondContact O-N 3.15Å |
| 463 | V | 41.1 | Very low | 42.5 | Very low | 53 Ų | 53 | 81.9 Ų | 81.9 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 179.5 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | L103 E459 N465 E466 M467 | L103-V463 HydrophobicContact CD1-CG1 3.78Å; E459-V463 VanDerWaalsContact O-CB 3.26Å; E459-V463 WeakPolarHBondContact O-CB 3.5Å; E459-V463 WeakPolarHBondContact O-CG2 3.41Å; E459-V463 PolarHBondContact O-N 3.32Å; V463-N465 VanDerWaalsContact C-N 3.29Å; V463-N465 PolarHBondContact O-N 3.04Å; V463-E466 WeakPolarHBondContact CA-OE2 3.45Å; V463-E466 PolarHBondContact O-N 3.47Å; V463-M467 HydrophobicContact CG1-CG 4.39Å; V463-M467 VanDerWaalsContact O-CB 3.3Å; V463-M467 WeakPolarHBondContact O-CB 3.47Å; V463-M467 WeakPolarHBondContact O-CG 3.42Å; V463-M467 PolarHBondContact O-N 3.18Å |
| 464 | W | 44.7 | Very low | 43.7 | Very low | 99 Ų | 99 | 78.9 Ų | 78.9 | 38% | 0.375 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.3 | -25.1 | 176.5 | -179.2 | -119.1 | 0 | 0 | 0 | 114.3 | L435 V460 T462 M467 K468 | L435-W464 HydrophobicContact CD2-CH2 4.22Å; L435-W464 HydrophobicContact CD2-CZ2 3.94Å; V460-W464 WeakPolarHBondContact O-CB 3.45Å; V460-W464 PolarHBondContact O-N 3.45Å; V460-W464 VanDerWaalsContact O-N 3.09Å; T462-W464 VanDerWaalsContact C-N 3.29Å; T462-W464 PolarHBondContact O-N 3.28Å; W464-M467 HydrophobicContact CE3-SD 3.83Å; W464-M467 HydrophobicContact CZ3-SD 4.21Å; W464-K468 WeakPolarHBondContact O-CG 3.26Å |
| 465 | N | 48.3 | Very low | 44.5 | Very low | 72 Ų | 72 | 75.8 Ų | 75.8 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -89.9 | -34.9 | 175.9 | -70.5 | -48.8 | 0 | 0 | 0 | 112 | E461 T462 V463 M467 K468 Q469 | E461-N465 PolarHBondContact O-N 3.34Å; E461-N465 PolarHBondContact O-ND2 2.96Å; T462-N465 CarbonylContact O-C 3.59Å; T462-N465 WeakPolarHBondContact O-CA 3.49Å; T462-N465 PolarHBondContact O-N 3.26Å; V463-N465 VanDerWaalsContact C-N 3.29Å; V463-N465 PolarHBondContact O-N 3.04Å; N465-M467 VanDerWaalsContact C-N 3.35Å; N465-K468 WeakPolarHBondContact O-CB 3.27Å; N465-K468 PolarHBondContact O-N 2.93Å; N465-K468 VanDerWaalsContact O-N 3.15Å; N465-K468 PolarHBondContact OD1-NZ 3.01Å; N465-Q469 PolarHBondContact O-N 2.87Å |
| 466 | E | 47.3 | Very low | 45.1 | Very low | 90 Ų | 90 | 77.6 Ų | 77.6 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 166 | -70.7 | 161.8 | -177.8 | 0 | 0 | 110.5 | T462 V463 K468 Q469 L470 | T462-E466 WeakPolarHBondContact O-CG 2.87Å; T462-E466 PolarHBondContact O-N 3.15Å; V463-E466 WeakPolarHBondContact CA-OE2 3.45Å; V463-E466 PolarHBondContact O-N 3.47Å; E466-K468 PolarHBondContact O-N 3.46Å; E466-Q469 CarbonylContact O-C 3.55Å; E466-Q469 PolarHBondContact O-N 3.35Å; E466-L470 WeakPolarHBondContact O-CB 3.35Å; E466-L470 PolarHBondContact O-N 3.45Å |
| 467 | M | 48.3 | Very low | 45.5 | Very low | 21 Ų | 21 | 84.6 Ų | 84.6 | 10% | 0.103 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -51.9 | -38.8 | 173 | -82 | -170.8 | 162.9 | 0 | 0 | 112.9 | L103 L110 Y427 V463 W464 N465 L470 V471 | L103-M467 HydrophobicContact CD1-CE 3.91Å; L103-M467 HydrophobicContact CD1-CG 4.12Å; L103-M467 HydrophobicContact CD2-CE 3.5Å; L103-M467 HydrophobicContact CG-CE 4.27Å; L110-M467 HydrophobicContact CD2-CE 3.83Å; Y427-M467 HydrophobicContact CE2-CE 4.25Å; Y427-M467 WeakPolarHBondContact OH-CG 3.41Å; V463-M467 HydrophobicContact CG1-CG 4.39Å; V463-M467 VanDerWaalsContact O-CB 3.3Å; V463-M467 WeakPolarHBondContact O-CB 3.47Å; V463-M467 WeakPolarHBondContact O-CG 3.42Å; V463-M467 PolarHBondContact O-N 3.18Å; W464-M467 HydrophobicContact CE3-SD 3.83Å; W464-M467 HydrophobicContact CZ3-SD 4.21Å; N465-M467 VanDerWaalsContact C-N 3.35Å; M467-L470 WeakPolarHBondContact O-CB 3.42Å; M467-V471 WeakPolarHBondContact O-CG2 3.44Å; M467-V471 PolarHBondContact O-N 2.99Å; M467-V471 VanDerWaalsContact O-N 3.11Å |
| 468 | K | 50.1 | Low | 45.8 | Very low | 97 Ų | 97 | 83.2 Ų | 83.2 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.7 | -40.8 | 176.7 | -66.6 | 169.5 | -164.3 | 156.5 | 0 | 111.8 | W464 N465 E466 V471 S472 | W464-K468 WeakPolarHBondContact O-CG 3.26Å; N465-K468 WeakPolarHBondContact O-CB 3.27Å; N465-K468 PolarHBondContact O-N 2.93Å; N465-K468 VanDerWaalsContact O-N 3.15Å; N465-K468 PolarHBondContact OD1-NZ 3.01Å; E466-K468 PolarHBondContact O-N 3.46Å; K468-V471 PolarHBondContact O-N 3.34Å; K468-S472 PolarHBondContact O-N 2.96Å; K468-S472 PolarHBondContact O-OG 2.9Å |
| 469 | Q | 52.9 | Low | 45.2 | Very low | 133 Ų | 133 | 81.9 Ų | 81.9 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 174 | -86.7 | -173.1 | -35.3 | 0 | 0 | 111.3 | N465 E466 V471 S472 T473 | N465-Q469 PolarHBondContact O-N 2.87Å; E466-Q469 CarbonylContact O-C 3.55Å; E466-Q469 PolarHBondContact O-N 3.35Å; Q469-V471 PolarHBondContact O-N 3.05Å; Q469-S472 WeakPolarHBondContact CA-OG 3.5Å; Q469-S472 CarbonylContact O-C 3.52Å; Q469-S472 PolarHBondContact O-N 3.3Å; Q469-S472 PolarHBondContact O-OG 3.31Å; Q469-T473 WeakPolarHBondContact O-CG2 3.47Å; Q469-T473 PolarHBondContact O-N 3.08Å; Q469-T473 PolarHBondContact O-OG1 2.65Å |
| 470 | L | 50.7 | Low | 44.6 | Very low | 18 Ų | 18 | 81.4 Ų | 81.4 | 9% | 0.094 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -47 | -58.4 | 170 | -93.7 | 145.7 | 0 | 0 | 0 | 111.4 | T96 L100 E466 M467 S472 T473 L474 | T96-L470 HydrophobicContact CG2-CD2 3.46Å; T96-L470 VanDerWaalsContact CG2-CD2 3.46Å; T96-L470 HydrophobicContact CG2-CG 4.28Å; T96-L470 VanDerWaalsContact O-CD2 3.28Å; T96-L470 WeakPolarHBondContact O-CD2 3.46Å; L100-L470 HydrophobicContact CB-CD2 4.23Å; E466-L470 WeakPolarHBondContact O-CB 3.35Å; E466-L470 PolarHBondContact O-N 3.45Å; M467-L470 WeakPolarHBondContact O-CB 3.42Å; L470-S472 PolarHBondContact O-N 3.37Å; L470-T473 PolarHBondContact O-N 3.35Å; L470-T473 PolarHBondContact O-OG1 2.92Å; L470-L474 WeakPolarHBondContact O-CD1 3.35Å; L470-L474 WeakPolarHBondContact O-CG 3.39Å; L470-L474 PolarHBondContact O-N 3.43Å |
| 471 | V | 51.3 | Low | 44.2 | Very low | 50 Ų | 50 | 81.7 Ų | 81.7 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -31.7 | 178.8 | 173.1 | 0 | 0 | 0 | 0 | 112.8 | Y427 M467 K468 Q469 | Y427-V471 HydrophobicContact CE1-CG2 3.86Å; M467-V471 WeakPolarHBondContact O-CG2 3.44Å; M467-V471 PolarHBondContact O-N 2.99Å; M467-V471 VanDerWaalsContact O-N 3.11Å; K468-V471 PolarHBondContact O-N 3.34Å; Q469-V471 PolarHBondContact O-N 3.05Å |
| 472 | S | 51.6 | Low | 43.7 | Very low | 93 Ų | 93 | 81.2 Ų | 81.2 | 65% | 0.65 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -80.9 | -15.5 | 176 | 72.4 | 0 | 0 | 0 | 0 | 115.4 | K468 Q469 L470 | K468-S472 PolarHBondContact O-N 2.96Å; K468-S472 PolarHBondContact O-OG 2.9Å; Q469-S472 WeakPolarHBondContact CA-OG 3.5Å; Q469-S472 CarbonylContact O-C 3.52Å; Q469-S472 PolarHBondContact O-N 3.3Å; Q469-S472 PolarHBondContact O-OG 3.31Å; L470-S472 PolarHBondContact O-N 3.37Å |
| 473 | T | 50.8 | Low | 42.9 | Very low | 69 Ų | 69 | 86.4 Ų | 86.4 | 42% | 0.423 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -101.9 | -14.3 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | Q469 L470 | Q469-T473 WeakPolarHBondContact O-CG2 3.47Å; Q469-T473 PolarHBondContact O-N 3.08Å; Q469-T473 PolarHBondContact O-OG1 2.65Å; L470-T473 PolarHBondContact O-N 3.35Å; L470-T473 PolarHBondContact O-OG1 2.92Å |
| 474 | L | 50.9 | Low | 42.2 | Very low | 22 Ų | 22 | 91.8 Ų | 91.8 | 12% | 0.115 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -69.3 | 136 | 173.1 | -75.2 | 159.9 | 0 | 0 | 0 | 110.6 | L97 V424 L470 | L97-L474 HydrophobicContact CD2-CD2 4.08Å; V424-L474 HydrophobicContact CG1-CD1 3.91Å; V424-L474 HydrophobicContact CG1-CD2 4.24Å; V424-L474 HydrophobicContact CG1-CG 4.5Å; V424-L474 HydrophobicContact CG2-CD2 4.23Å; L470-L474 WeakPolarHBondContact O-CD1 3.35Å; L470-L474 WeakPolarHBondContact O-CG 3.39Å; L470-L474 PolarHBondContact O-N 3.43Å |
| 475 | P | 47 | Very low | 41.3 | Very low | 27 Ų | 27 | 93.2 Ų | 93.2 | 18% | 0.175 | 50% | 0.504 | C | S | . | . | trans | -71.8 | 152.1 | -166.2 | -18.2 | 31.6 | 0 | 0 | 0 | 114.1 | Y93 R477 F478 | Y93-P475 HydrophobicContact CD1-CG 4.1Å; Y93-P475 HydrophobicContact CD2-CG 4.27Å; Y93-P475 HydrophobicContact CE1-CG 3.65Å; Y93-P475 HydrophobicContact CE2-CG 3.83Å; Y93-P475 HydrophobicContact CG-CG 4.41Å; P475-R477 PolarHBondContact O-N 3.43Å; P475-F478 HydrophobicContact CB-CD2 3.75Å; P475-F478 HydrophobicContact CB-CE2 3.86Å; P475-F478 HydrophobicContact CG-CD2 3.89Å; P475-F478 HydrophobicContact CG-CE2 3.67Å; P475-F478 WeakPolarHBondContact O-CB 3.29Å; P475-F478 WeakPolarHBondContact O-CD2 3.34Å; P475-F478 PolarHBondContact O-N 3.49Å | ||
| 476 | T | 43.5 | Very low | 40.2 | Very low | 139 Ų | 139 | 94.7 Ų | 94.7 | 85% | 0.853 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -65.1 | -6.7 | 178.9 | 46.8 | 0 | 0 | 0 | 0 | 115.3 | F478 | T476-F478 VanDerWaalsContact C-N 3.27Š|
| 477 | R | 42.6 | Very low | 39.3 | Very low | 214 Ų | 214 | 95.9 Ų | 95.9 | 81% | 0.808 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -68.7 | -24.9 | 168.6 | -73.8 | -169.5 | 176.6 | -168.1 | -0.2 | 113.2 | P475 C479 | P475-R477 PolarHBondContact O-N 3.43Å; R477-C479 VanDerWaalsContact C-N 3.34Å; R477-C479 PolarHBondContact O-N 2.95Å |
| 478 | F | 42.9 | Very low | 38.4 | Very low | 31 Ų | 31 | 100.7 Ų | 100.7 | 14% | 0.136 | 57% | 0.567 | C | S | . | * | G | 310 helix | trans | -92.5 | 13.9 | -169.3 | -63.1 | -104.4 | 0 | 0 | 0 | 113.6 | D421 V424 P475 T476 | D421-F478 HydrophobicContact CB-CD1 3.77Å; D421-F478 HydrophobicContact CB-CE1 4.09Å; D421-F478 WeakPolarHBondContact OD1-CA 3.4Å; D421-F478 VanDerWaalsContact OD1-CB 3.3Å; D421-F478 WeakPolarHBondContact OD1-CB 3.41Å; D421-F478 WeakPolarHBondContact OD1-CD1 3.42Å; V424-F478 HydrophobicContact CG1-CB 4.45Å; P475-F478 HydrophobicContact CB-CD2 3.75Å; P475-F478 HydrophobicContact CB-CE2 3.86Å; P475-F478 HydrophobicContact CG-CD2 3.89Å; P475-F478 HydrophobicContact CG-CE2 3.67Å; P475-F478 WeakPolarHBondContact O-CB 3.29Å; P475-F478 WeakPolarHBondContact O-CD2 3.34Å; P475-F478 PolarHBondContact O-N 3.49Å; T476-F478 VanDerWaalsContact C-N 3.27Å |
| 479 | C | 30.4 | Very low | 37.3 | Very low | 79 Ų | 79 | 103.8 Ų | 103.8 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | trans | -143.8 | 53.8 | -174.1 | -80.9 | 0 | 0 | 0 | 0 | 112.5 | R477 S481 | R477-C479 VanDerWaalsContact C-N 3.34Å; R477-C479 PolarHBondContact O-N 2.95Å; C479-S481 PolarHBondContact O-N 3.17Å; C479-S481 VanDerWaalsContact O-N 3.16Å | ||
| 480 | T | 24.9 | Very low | 36.2 | Very low | 122 Ų | 122 | 101.1 Ų | 101.1 | 75% | 0.748 | 60% | 0.596 | S | S | * | * | trans | -88 | 65.7 | -177.9 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 481 | S | 25.7 | Very low | 35 | Very low | 88 Ų | 88 | 108.4 Ų | 108.4 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | trans | -73.1 | 130.8 | 159 | 62.7 | 0 | 0 | 0 | 0 | 109.9 | C479 Q483 | C479-S481 PolarHBondContact O-N 3.17Å; C479-S481 VanDerWaalsContact O-N 3.16Å; S481-Q483 PolarHBondContact O-N 3.31Å; S481-Q483 VanDerWaalsContact O-N 3.09Å | ||
| 482 | P | 29.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | trans | -70.8 | 108.4 | -176.8 | 28 | -34.2 | 0 | 0 | 0 | 111.4 | Q484 | P482-Q484 VanDerWaalsContact C-N 3.25Å; P482-Q484 PolarHBondContact O-N 3.21Å | ||
| 483 | Q | 26.3 | Very low | 32.7 | Very low | 179 Ų | 179 | 112 Ų | 112 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | trans | -72.8 | 82.8 | 166.9 | -76 | -165.1 | -13.2 | 0 | 0 | 110.1 | S481 T485 | S481-Q483 PolarHBondContact O-N 3.31Å; S481-Q483 VanDerWaalsContact O-N 3.09Å; Q483-T485 PolarHBondContact O-N 3.41Å | ||
| 484 | Q | 27.4 | Very low | 31.6 | Very low | 166 Ų | 166 | 115 Ų | 115 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | trans | -71.1 | 105.1 | 167.2 | -166.1 | 171.4 | 18.3 | 0 | 0 | 108.5 | P482 C486 | P482-Q484 VanDerWaalsContact C-N 3.25Å; P482-Q484 PolarHBondContact O-N 3.21Å; Q484-C486 VanDerWaalsContact C-N 3.3Å; Q484-C486 PolarHBondContact O-N 2.69Å | ||
| 485 | T | 25.5 | Very low | 30.5 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -72.6 | 81.5 | 179.5 | 53 | 0 | 0 | 0 | 0 | 110.7 | Q483 S487 | Q483-T485 PolarHBondContact O-N 3.41Å; T485-S487 PolarHBondContact O-N 2.94Å | ||
| 486 | C | 25.3 | Very low | 29.4 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -77.7 | 98.8 | 175.7 | -72.5 | 0 | 0 | 0 | 0 | 111.4 | Q484 V488 | Q484-C486 VanDerWaalsContact C-N 3.3Å; Q484-C486 PolarHBondContact O-N 2.69Å; C486-V488 PolarHBondContact O-N 2.86Å | ||
| 487 | S | 27.2 | Very low | 28.5 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -70.2 | 118.5 | 159.3 | -61 | 0 | 0 | 0 | 0 | 110.1 | T485 | T485-S487 PolarHBondContact O-N 2.94Š| ||
| 488 | V | 30.1 | Very low | 27.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -4.9 | 125.7 | 133.2 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | C486 | C486-V488 PolarHBondContact O-N 2.86Š|
| 489 | D | 27.3 | Very low | 26.8 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | cis | -139.4 | 164.1 | 24.9 | -96.5 | -51.8 | 0 | 0 | 0 | 113.2 | ||||
| 490 | G | 29.7 | Very low | 26.4 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 158.4 | 92.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 491 | E | 24.8 | Very low | 26.3 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -76.8 | 153.7 | 165.1 | -130.1 | -158.1 | -116.3 | 0 | 0 | 110.9 | T493 | E491-T493 PolarHBondContact OE2-N 3.4Š| ||
| 492 | P | 29.2 | Very low | 26.3 | Very low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | -155.3 | 149.2 | 85.9 | 40 | -20.8 | 0 | 0 | 0 | 118.6 | |||||
| 493 | T | 26.7 | Very low | 25.9 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | trans | 36.1 | 130 | 142 | 66.4 | 0 | 0 | 0 | 0 | 122.7 | E491 | E491-T493 PolarHBondContact OE2-N 3.4Š| ||
| 494 | P | 27.8 | Very low | 25.9 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -86.1 | 145.2 | 171.9 | 35.2 | -34.3 | 0 | 0 | 0 | 113.9 | ||||
| 495 | S | 26.3 | Very low | 25.7 | Very low | 128 Ų | 128 | 149 Ų | 149 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -140.8 | 165 | 164.5 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 496 | R | 24.4 | Very low | 25.6 | Very low | 240 Ų | 240 | 150.3 Ų | 150.3 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -133.1 | 118.7 | -151.6 | -179.7 | -169.8 | -171 | -171.3 | 5.8 | 111.9 | ||||
| 497 | S | 25.1 | Very low | 25.7 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 92% | 0.923 | 83% | 0.826 | S | S | * | * | trans | -156.3 | 164.3 | 163.7 | -91.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 498 | R | 24.2 | Very low | 25.5 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -145.7 | 112 | -158.6 | -177.5 | -165.7 | -159.2 | -178.3 | 7.6 | 110.3 | ||||
| 499 | S | 25.6 | Very low | 25.4 | Very low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -147.8 | 148.6 | 171.4 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 500 | Y | 22.4 | Very low | 25.2 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -80.4 | 153.2 | 173.3 | -64.4 | -102 | 0 | 0 | 0 | 110.2 | ||||
| 501 | I | 23.2 | Very low | 25 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | 165.2 | 147.1 | 130.1 | -87.5 | 158.6 | 0 | 0 | 0 | 111 | ||||
| 502 | K | 25.2 | Very low | 25.1 | Very low | 195 Ų | 195 | 152.4 Ų | 152.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 66.1 | 110.4 | 171.2 | -76.9 | 163 | -174.2 | -178.9 | 0 | 118.2 | ||||
| 503 | L | 21.3 | Very low | 24.9 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -65.1 | 136.9 | 149.7 | -75.8 | 67 | 0 | 0 | 0 | 108.9 | ||||
| 504 | P | 24.8 | Very low | 24.6 | Very low | 122 Ų | 122 | 156.9 Ų | 156.9 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | trans | -79.3 | 124.7 | 158 | 31.3 | -29.3 | 0 | 0 | 0 | 109.7 | N506 | P504-N506 PolarHBondContact O-N 3.19Š| ||
| 505 | K | 24.6 | Very low | 24.6 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | -73 | 113.7 | 154.3 | -71.3 | -175.5 | 176 | -171.6 | 0 | 106.7 | ||||
| 506 | N | 23.6 | Very low | 24.6 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | 164 | 95.2 | 152.1 | -86.9 | -2.3 | 0 | 0 | 0 | 108.7 | P504 G508 | P504-N506 PolarHBondContact O-N 3.19Å; N506-G508 VanDerWaalsContact C-N 3.34Å; N506-G508 PolarHBondContact O-N 3.44Å | ||
| 507 | I | 25.4 | Very low | 24.6 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -93.1 | 79.4 | 161.8 | -58.6 | 179.3 | 0 | 0 | 0 | 106 | I509 | I507-I509 PolarHBondContact O-N 2.89Š| ||
| 508 | G | 24.6 | Very low | 24.7 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -72.1 | 116.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | N506 S510 | N506-G508 VanDerWaalsContact C-N 3.34Å; N506-G508 PolarHBondContact O-N 3.44Å; G508-S510 PolarHBondContact O-N 3.1Å | ||
| 509 | I | 26.8 | Very low | 24.6 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 120.4 | 170.7 | -64.7 | 174.5 | 0 | 0 | 0 | 107 | I507 L511 | I507-I509 PolarHBondContact O-N 2.89Å; I509-L511 VanDerWaalsContact C-N 3.26Å; I509-L511 PolarHBondContact O-N 3.13Å | ||
| 510 | S | 23 | Very low | 24.7 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -77.3 | 72.2 | -173.8 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | G508 | G508-S510 PolarHBondContact O-N 3.1Š| ||
| 511 | L | 26 | Very low | 24.9 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | -118.8 | 150.2 | 161.2 | -88.7 | 157.4 | 0 | 0 | 0 | 109.1 | I509 | I509-L511 VanDerWaalsContact C-N 3.26Å; I509-L511 PolarHBondContact O-N 3.13Å | ||
| 512 | M | 26.1 | Very low | 25.2 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 65.9 | 95.3 | -171.1 | -59.5 | -162.1 | 156.5 | 0 | 0 | 115.6 | S514 | M512-S514 PolarHBondContact O-N 3.38Š| ||
| 513 | K | 25.7 | Very low | 25.2 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -75 | 100.1 | 164.2 | 179.4 | -174.7 | -179.3 | -177 | 0 | 109.1 | P515 | K513-P515 WeakPolarHBondContact O-CD 3.39Š| ||
| 514 | S | 21.5 | Very low | 25.8 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.5 | 169.6 | 54 | 0 | 0 | 0 | 0 | 110.3 | M512 | M512-S514 PolarHBondContact O-N 3.38Š|
| 515 | P | 27.5 | Very low | 26.3 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 135.1 | 168.7 | 30.1 | -32.3 | 0 | 0 | 0 | 109.2 | K513 | K513-P515 WeakPolarHBondContact O-CD 3.39Š|
| 516 | S | 25.8 | Very low | 27.6 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.6 | 171.6 | 50.3 | 0 | 0 | 0 | 0 | 111 | S518 | S516-S518 PolarHBondContact O-N 3.07Š|
| 517 | E | 24.3 | Very low | 29.8 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -49.4 | 117.3 | -176.9 | -61.8 | 164.6 | 140 | 0 | 0 | 113.1 | ||
| 518 | S | 26.1 | Very low | 32.4 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -161.7 | 128.1 | 162.7 | 56.6 | 0 | 0 | 0 | 0 | 109.2 | S516 S520 | S516-S518 PolarHBondContact O-N 3.07Å; S518-S520 PolarHBondContact O-N 3.36Å | ||
| 519 | D | 24.2 | Very low | 35.5 | Very low | 169 Ų | 169 | 121.3 Ų | 121.3 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | trans | -68 | 123.2 | -166.4 | -57.2 | -81.9 | 0 | 0 | 0 | 114.5 | ||||
| 520 | S | 27.5 | Very low | 38.6 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | trans | -166.2 | 136.8 | 141.6 | 40 | 0 | 0 | 0 | 0 | 111.2 | S518 N522 | S518-S520 PolarHBondContact O-N 3.36Å; S520-N522 PolarHBondContact O-N 3.29Å | ||
| 521 | S | 25.8 | Very low | 41.9 | Very low | 118 Ų | 118 | 111 Ų | 111 | 83% | 0.825 | 66% | 0.664 | S | S | * | * | trans | -74.8 | 118.8 | 179.8 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 522 | N | 28.9 | Very low | 45.1 | Very low | 161 Ų | 161 | 105 Ų | 105 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | trans | -145 | 128.2 | 159 | -99.6 | -32.8 | 0 | 0 | 0 | 109.7 | S520 A524 | S520-N522 PolarHBondContact O-N 3.29Å; N522-A524 PolarHBondContact O-N 3.35Å | ||
| 523 | S | 26.7 | Very low | 48.3 | Very low | 115 Ų | 115 | 97.6 Ų | 97.6 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | trans | -74.8 | 115.4 | 178 | 51 | 0 | 0 | 0 | 0 | 110.6 | S525 | S523-S525 PolarHBondContact O-N 3.14Š| ||
| 524 | A | 32.1 | Very low | 51.3 | Low | 92 Ų | 92 | 87.8 Ų | 87.8 | 76% | 0.76 | 55% | 0.553 | S | S | * | * | trans | -77.4 | 88.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | N522 T526 | N522-A524 PolarHBondContact O-N 3.35Å; A524-T526 PolarHBondContact O-N 2.68Å | ||
| 525 | S | 35.8 | Very low | 54.6 | Low | 89 Ų | 89 | 85 Ų | 85 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | trans | -60 | 122.7 | 159.6 | 55.9 | 0 | 0 | 0 | 0 | 108.1 | S523 D527 | S523-S525 PolarHBondContact O-N 3.14Å; S525-D527 VanDerWaalsContact C-N 3.31Å; S525-D527 PolarHBondContact O-N 3.3Å; S525-D527 VanDerWaalsContact O-N 3.11Å; S525-D527 PolarHBondContact OG-OD1 3.41Å; S525-D527 VanDerWaalsContact OG-OD1 3.11Å | ||
| 526 | T | 52.6 | Low | 57.4 | Low | 123 Ų | 123 | 79.8 Ų | 79.8 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | trans | -88.3 | 77.9 | -179.1 | -36.8 | 0 | 0 | 0 | 0 | 108.4 | A524 A528 | A524-T526 PolarHBondContact O-N 2.68Å; T526-A528 PolarHBondContact O-N 2.88Å | ||
| 527 | D | 69 | Low | 59.8 | Low | 123 Ų | 123 | 76.7 Ų | 76.7 | 66% | 0.658 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -56 | 133.5 | -175 | -65.3 | -5.6 | 0 | 0 | 0 | 111.3 | Y77 S525 | Y77-D527 WeakPolarHBondContact CE2-O 3.15Å; S525-D527 VanDerWaalsContact C-N 3.31Å; S525-D527 PolarHBondContact O-N 3.3Å; S525-D527 VanDerWaalsContact O-N 3.11Å; S525-D527 PolarHBondContact OG-OD1 3.41Å; S525-D527 VanDerWaalsContact OG-OD1 3.11Å |
| 528 | A | 81.3 | Confident | 61.8 | Low | 36 Ų | 36 | 71.5 Ų | 71.5 | 30% | 0.298 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 152.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N80 T526 T530 | N80-A528 HydrophobicContact CB-CB 4.24Å; N80-A528 VanDerWaalsContact O-CB 3.29Å; N80-A528 WeakPolarHBondContact O-CB 3.4Å; T526-A528 PolarHBondContact O-N 2.88Å; A528-T530 PolarHBondContact O-N 3.3Å |
| 529 | P | 89 | Confident | 63.5 | Low | 6 Ų | 6 | 70.1 Ų | 70.1 | 4% | 0.039 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 137.1 | -176.9 | 24.9 | -29.8 | 0 | 0 | 0 | 110.7 | W47 Y77 A81 T82 T416 | W47-P529 HydrophobicContact CH2-CB 4.4Å; W47-P529 HydrophobicContact CH2-CG 4.26Å; Y77-P529 HydrophobicContact CD1-CG 3.92Å; Y77-P529 HydrophobicContact CE1-CB 3.72Å; Y77-P529 HydrophobicContact CE1-CG 3.61Å; Y77-P529 HydrophobicContact CE2-CG 4.47Å; Y77-P529 HydrophobicContact CG-CG 4.46Å; Y77-P529 WeakPolarHBondContact O-CD 3.41Å; Y77-P529 WeakPolarHBondContact O-CG 3.49Å; A81-P529 HydrophobicContact CB-CG 3.85Å; T82-P529 PolarHBondContact N-O 2.85Å; T82-P529 PolarHBondContact OG1-O 2.67Å; T416-P529 HydrophobicContact CG2-CB 4.39Å |
| 530 | T | 91.1 | Very high | 65.4 | Low | 54 Ų | 54 | 65.3 Ų | 65.3 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 112 | 167.9 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | T82 R84 A528 L532 | T82-T530 CarbonylContact O-C 3.59Å; T82-T530 WeakPolarHBondContact O-CA 3.3Å; R84-T530 HydrophobicContact CG-CG2 4.36Å; A528-T530 PolarHBondContact O-N 3.3Å; T530-L532 HydrophobicContact CG2-CD2 4.47Å |
| 531 | V | 93.2 | Very high | 67.5 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.6 | 179 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | W47 A81 T82 F83 R84 A414 T416 | W47-V531 HydrophobicContact CD2-CG1 4.13Å; W47-V531 HydrophobicContact CD2-CG2 4.03Å; W47-V531 HydrophobicContact CE3-CG2 3.87Å; W47-V531 HydrophobicContact CG-CG1 4.32Å; W47-V531 HydrophobicContact CH2-CG2 3.64Å; W47-V531 HydrophobicContact CZ2-CG2 3.78Å; W47-V531 HydrophobicContact CZ3-CG2 3.68Å; A81-V531 HydrophobicContact CB-CG2 4.21Å; T82-V531 PolarHBondContact O-N 3.01Å; F83-V531 WeakPolarHBondContact CA-O 3.49Å; F83-V531 HydrophobicContact CD1-CB 3.69Å; F83-V531 HydrophobicContact CD1-CG1 3.83Å; F83-V531 HydrophobicContact CD1-CG2 4.42Å; F83-V531 HydrophobicContact CE1-CB 3.79Å; F83-V531 HydrophobicContact CE1-CG1 3.71Å; F83-V531 HydrophobicContact CE1-CG2 4.12Å; F83-V531 HydrophobicContact CG-CB 4.42Å; F83-V531 HydrophobicContact CZ-CG2 4.48Å; R84-V531 PolarHBondContact N-O 3.33Å; A414-V531 HydrophobicContact CB-CG1 3.96Å; T416-V531 HydrophobicContact CG2-CG2 4.03Å |
| 532 | L | 92 | Very high | 70 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.4 | 178.5 | -59 | -175.8 | 0 | 0 | 0 | 110.5 | R84 A86 V89 L90 A414 M415 I417 T530 I534 | R84-L532 CarbonylContact O-C 3.48Å; R84-L532 WeakPolarHBondContact O-CA 3.49Å; A86-L532 HydrophobicContact CB-CB 4.23Å; V89-L532 HydrophobicContact CB-CD2 3.89Å; V89-L532 HydrophobicContact CG1-CD2 4.18Å; V89-L532 HydrophobicContact CG2-CD2 3.71Å; L90-L532 HydrophobicContact CD1-CD1 3.67Å; L90-L532 HydrophobicContact CG-CD1 4.36Å; A414-L532 WeakPolarHBondContact CA-O 3.48Å; M415-L532 PolarHBondContact N-O 3.37Å; M415-L532 VanDerWaalsContact N-O 3.09Å; M415-L532 WeakPolarHBondContact O-CB 3.28Å; M415-L532 PolarHBondContact O-N 3.44Å; I417-L532 HydrophobicContact CG1-CD1 3.81Å; I417-L532 HydrophobicContact CG1-CG 4.27Å; T530-L532 HydrophobicContact CG2-CD2 4.47Å; L532-I534 HydrophobicContact CB-CG1 4.31Å |
| 533 | L | 93.3 | Very high | 72.5 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.9 | 167.8 | -60.7 | -180 | 0 | 0 | 0 | 108.4 | V40 F83 R84 A86 L412 S413 A414 | V40-L533 HydrophobicContact CG1-CD1 4.43Å; F83-L533 HydrophobicContact CB-CD1 4.35Å; F83-L533 HydrophobicContact CB-CG 4.41Å; F83-L533 HydrophobicContact CD1-CD2 3.99Å; R84-L533 PolarHBondContact O-N 3.09Å; A86-L533 VanDerWaalsContact CB-O 3.27Å; A86-L533 WeakPolarHBondContact CB-O 3.15Å; A86-L533 PolarHBondContact N-O 3.42Å; L412-L533 HydrophobicContact CD2-CB 4.42Å; S413-L533 CarbonylContact O-C 3.47Å; S413-L533 WeakPolarHBondContact O-CA 3.49Å; A414-L533 HydrophobicContact CB-CD2 4.09Å |
| 534 | I | 90.3 | Very high | 75.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.9 | -178.2 | -51.4 | 165.1 | 0 | 0 | 0 | 107.9 | A86 L101 L412 S413 L420 L532 | A86-I534 HydrophobicContact CB-CB 4.28Å; A86-I534 HydrophobicContact CB-CG1 3.69Å; L101-I534 HydrophobicContact CD1-CB 4.07Å; L101-I534 HydrophobicContact CD1-CD1 3.95Å; L101-I534 HydrophobicContact CD1-CG2 3.83Å; L412-I534 CarbonylContact C-O 3.59Å; S413-I534 PolarHBondContact N-O 2.89Å; S413-I534 PolarHBondContact O-N 2.96Å; L420-I534 HydrophobicContact CD1-CD1 3.91Å; L420-I534 HydrophobicContact CD2-CD1 4.17Å; L532-I534 HydrophobicContact CB-CG1 4.31Å |
| 535 | P | 89.4 | Confident | 77.8 | Confident | 45 Ų | 45 | 51 Ų | 51 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 143.9 | 173.2 | 27.5 | -32.7 | 0 | 0 | 0 | 110.5 | T98 H411 | T98-P535 WeakPolarHBondContact CB-O 3.21Å; T98-P535 WeakPolarHBondContact CG2-O 3.2Å; T98-P535 PolarHBondContact OG1-O 3.03Å; H411-P535 CarbonylContact O-C 3.6Å; H411-P535 WeakPolarHBondContact O-CA 3.48Å |
| 536 | I | 87.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | trans | -125.2 | -12.2 | 177.9 | 58.8 | 165.8 | 0 | 0 | 0 | 113.3 | L101 R102 L105 R410 H411 | L101-I536 HydrophobicContact CB-CG2 3.76Å; L101-I536 HydrophobicContact CD1-CG2 3.91Å; L101-I536 HydrophobicContact CG-CG2 4.49Å; R102-I536 WeakPolarHBondContact CD-O 3.22Å; R102-I536 WeakPolarHBondContact CG-O 3.24Å; R102-I536 PolarHBondContact NE-O 3.33Å; L105-I536 HydrophobicContact CD2-CD1 4.28Å; R410-I536 HydrophobicContact CG-CD1 4.24Å; H411-I536 VanDerWaalsContact C-CG1 3.44Å; H411-I536 WeakPolarHBondContact O-CG1 3.33Å; H411-I536 PolarHBondContact O-N 3.04Å | ||
| 537 | S | 77.2 | Confident | 81.7 | Confident | 41 Ų | 41 | 45 Ų | 45 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -127.9 | -177.2 | 163.3 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | R102 H411 | R102-S537 VanDerWaalsContact NH2-C 3.33Å; R102-S537 PolarHBondContact NH2-O 2.67Å; H411-S537 WeakPolarHBondContact CA-OG 3.19Å; H411-S537 WeakPolarHBondContact CB-OG 3.25Å |
| 538 | S | 66.2 | Low | 82.5 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 156.4 | 150.7 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 539 | S | 60.6 | Low | 82.7 | Confident | 76 Ų | 76 | 45 Ų | 45 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -57 | 145.9 | 159.6 | 44.3 | 0 | 0 | 0 | 0 | 109 | ||
| 540 | P | 65.3 | Low | 82.6 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.4 | 177.3 | 25.1 | -32.9 | 0 | 0 | 0 | 110.6 | P542 | P540-P542 WeakPolarHBondContact O-CD 3.43Å; P540-P542 VanDerWaalsContact O-N 3.11Å |
| 541 | E | 70 | Confident | 82.4 | Confident | 131 Ų | 131 | 46.6 Ų | 46.6 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 117.1 | 171.9 | -170.4 | -179.9 | -175.5 | 0 | 0 | 107.4 | I543 L546 K550 | E541-I543 PolarHBondContact O-N 2.86Å; E541-L546 WeakPolarHBondContact OE1-CD2 3.46Å; E541-K550 IonicContact OE1-NZ 2.89Å; E541-K550 PolarHBondContact OE1-NZ 3.06Å; E541-K550 IonicContact OE2-NZ 3.4Å; E541-K550 PolarHBondContact OE2-NZ 3.41Å |
| 542 | P | 79.3 | Confident | 82 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 38% | 0.377 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 129.3 | -160.4 | 20.2 | -32.4 | 0 | 0 | 0 | 112.1 | N32 P540 G544 L545 | N32-P542 WeakPolarHBondContact OD1-CB 3.16Å; P540-P542 WeakPolarHBondContact O-CD 3.43Å; P540-P542 VanDerWaalsContact O-N 3.11Å; P542-G544 PolarHBondContact O-N 3.46Å; P542-L545 HydrophobicContact CB-CB 4.48Å; P542-L545 HydrophobicContact CB-CD1 3.76Å; P542-L545 HydrophobicContact CB-CG 4.19Å; P542-L545 HydrophobicContact CG-CB 4.22Å; P542-L545 HydrophobicContact CG-CD1 3.81Å; P542-L545 HydrophobicContact CG-CG 4.36Å; P542-L545 PolarHBondContact O-N 3.42Å |
| 543 | I | 82 | Confident | 81.8 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 132.7 | -167.3 | -58.9 | 176.9 | 0 | 0 | 0 | 108.6 | I28 N32 E541 L545 T1220 L1221 | I28-I543 WeakPolarHBondContact CG2-O 2.88Å; N32-I543 PolarHBondContact ND2-O 3.12Å; N32-I543 PolarHBondContact OD1-N 3.49Å; E541-I543 PolarHBondContact O-N 2.86Å; I543-L545 VanDerWaalsContact C-N 3.32Å; I543-L545 PolarHBondContact O-N 3.47Å; I543-T1220 HydrophobicContact CD1-CG2 4.34Å; I543-L1221 HydrophobicContact CB-CD1 4.24Å; I543-L1221 HydrophobicContact CB-CD2 4.05Å; I543-L1221 HydrophobicContact CB-CG 4.06Å; I543-L1221 HydrophobicContact CD1-CD2 4.26Å; I543-L1221 HydrophobicContact CG2-CD1 4.42Å; I543-L1221 HydrophobicContact CG2-CG 4.16Å |
| 544 | G | 83.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -9.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.2 | P542 L546 Y1213 L1214 S1217 | P542-G544 PolarHBondContact O-N 3.46Å; G544-L546 PolarHBondContact O-N 2.98Å; G544-Y1213 WeakPolarHBondContact CA-OH 3.23Å; G544-Y1213 PolarHBondContact N-OH 3.17Å; G544-Y1213 WeakPolarHBondContact O-CE1 3.49Å; G544-L1214 WeakPolarHBondContact O-CD2 3.43Å; G544-S1217 VanDerWaalsContact CA-OG 3.31Å; G544-S1217 WeakPolarHBondContact CA-OG 3.11Å |
| 545 | L | 85.4 | Confident | 81 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | trans | -93.8 | 14.1 | -175.9 | -55.9 | -171.1 | 0 | 0 | 0 | 114.6 | L25 I28 L29 P542 I543 | L25-L545 HydrophobicContact CD2-CD2 4.08Å; I28-L545 HydrophobicContact CG2-CD2 3.65Å; I28-L545 HydrophobicContact CG2-CG 4.25Å; L29-L545 HydrophobicContact CD2-CD1 3.55Å; L29-L545 HydrophobicContact CD2-CD2 4.12Å; L29-L545 HydrophobicContact CG-CD1 4.31Å; L29-L545 HydrophobicContact CG-CD2 4Å; P542-L545 HydrophobicContact CB-CB 4.48Å; P542-L545 HydrophobicContact CB-CD1 3.76Å; P542-L545 HydrophobicContact CB-CG 4.19Å; P542-L545 HydrophobicContact CG-CB 4.22Å; P542-L545 HydrophobicContact CG-CD1 3.81Å; P542-L545 HydrophobicContact CG-CG 4.36Å; P542-L545 PolarHBondContact O-N 3.42Å; I543-L545 VanDerWaalsContact C-N 3.32Å; I543-L545 PolarHBondContact O-N 3.47Å | ||
| 546 | L | 85.2 | Confident | 80.5 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | trans | -65 | 136 | 171.8 | -64 | -177.3 | 0 | 0 | 0 | 110.8 | E541 G544 K550 V551 M554 Y1210 Y1213 | E541-L546 WeakPolarHBondContact OE1-CD2 3.46Å; G544-L546 PolarHBondContact O-N 2.98Å; L546-K550 HydrophobicContact CD2-CD 3.9Å; L546-K550 VanDerWaalsContact CD2-NZ 3.3Å; L546-V551 HydrophobicContact CB-CG2 3.6Å; L546-V551 HydrophobicContact CD1-CG2 4.29Å; L546-M554 HydrophobicContact CD1-SD 4.13Å; L546-Y1210 WeakPolarHBondContact O-CE2 3.09Å; L546-Y1210 PolarHBondContact O-OH 3.47Å; L546-Y1213 HydrophobicContact CB-CE1 4.15Å; L546-Y1213 WeakPolarHBondContact CB-OH 3.37Å; L546-Y1213 HydrophobicContact CD1-CE2 4.12Å; L546-Y1213 WeakPolarHBondContact CG-OH 3.35Å; L546-Y1213 PolarHBondContact N-OH 3.29Å | ||
| 547 | A | 85.4 | Confident | 80.1 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | trans | -61.1 | 142.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D549 K550 V551 | A547-D549 VanDerWaalsContact C-N 3.31Å; A547-D549 PolarHBondContact O-N 3.38Å; A547-K550 WeakPolarHBondContact O-CA 3.36Å; A547-K550 WeakPolarHBondContact O-CB 3.49Å; A547-K550 PolarHBondContact O-N 2.97Å; A547-V551 PolarHBondContact O-N 3.18Å; A547-V551 VanDerWaalsContact O-N 3.1Å | ||
| 548 | E | 86.2 | Confident | 80 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -48.1 | -48.1 | -177.3 | -178.2 | 178.9 | -142.1 | 0 | 0 | 112.7 | K550 V551 L552 R1207 Y1210 | E548-K550 PolarHBondContact O-N 3.12Å; E548-V551 PolarHBondContact O-N 3.18Å; E548-L552 HydrophobicContact CG-CD1 3.72Å; E548-L552 HydrophobicContact CG-CG 4.16Å; E548-L552 WeakPolarHBondContact O-CB 2.99Å; E548-L552 VanDerWaalsContact O-CG 3.3Å; E548-L552 WeakPolarHBondContact O-CG 3.31Å; E548-L552 PolarHBondContact O-N 3.44Å; E548-R1207 WeakPolarHBondContact OE1-CD 3.25Å; E548-R1207 WeakPolarHBondContact OE1-CG 3.33Å; E548-R1207 IonicContact OE1-CZ 3.38Å; E548-R1207 IonicContact OE1-NE 3.7Å; E548-R1207 PolarHBondContact OE1-NE 2.99Å; E548-R1207 IonicContact OE1-NH1 3.69Å; E548-R1207 IonicContact OE2-CZ 2.7Å; E548-R1207 IonicContact OE2-NE 3.79Å; E548-R1207 PolarHBondContact OE2-NE 3.28Å; E548-R1207 IonicContact OE2-NH1 3.55Å; E548-R1207 PolarHBondContact OE2-NH1 3.47Å; E548-Y1210 HydrophobicContact CB-CD1 4.05Å; E548-Y1210 HydrophobicContact CB-CD2 4.45Å; E548-Y1210 HydrophobicContact CB-CE1 3.95Å; E548-Y1210 HydrophobicContact CB-CE2 4.37Å; E548-Y1210 HydrophobicContact CB-CG 4.3Å; E548-Y1210 HydrophobicContact CG-CD1 3.89Å; E548-Y1210 HydrophobicContact CG-CE1 4.31Å; E548-Y1210 HydrophobicContact CG-CG 4Å |
| 549 | D | 84.8 | Confident | 80.3 | Confident | 116 Ų | 116 | 69 Ų | 69 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.6 | -30.9 | 179.1 | -71.5 | -53.8 | 0 | 0 | 0 | 113.9 | A547 S553 | A547-D549 VanDerWaalsContact C-N 3.31Å; A547-D549 PolarHBondContact O-N 3.38Å; D549-S553 VanDerWaalsContact O-CB 3.31Å; D549-S553 WeakPolarHBondContact O-CB 3.2Å; D549-S553 PolarHBondContact O-N 2.95Å; D549-S553 PolarHBondContact O-OG 3.21Å |
| 550 | K | 87.6 | Confident | 80.7 | Confident | 89 Ų | 89 | 72.9 Ų | 72.9 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 173.1 | -176.4 | 171.4 | 165.6 | -172.3 | 0 | 109 | E541 L546 A547 E548 S553 M554 | E541-K550 IonicContact OE1-NZ 2.89Å; E541-K550 PolarHBondContact OE1-NZ 3.06Å; E541-K550 IonicContact OE2-NZ 3.4Å; E541-K550 PolarHBondContact OE2-NZ 3.41Å; L546-K550 HydrophobicContact CD2-CD 3.9Å; L546-K550 VanDerWaalsContact CD2-NZ 3.3Å; A547-K550 WeakPolarHBondContact O-CA 3.36Å; A547-K550 WeakPolarHBondContact O-CB 3.49Å; A547-K550 PolarHBondContact O-N 2.97Å; E548-K550 PolarHBondContact O-N 3.12Å; K550-S553 PolarHBondContact O-N 3.22Å; K550-S553 PolarHBondContact O-OG 3.26Å; K550-M554 HydrophobicContact CG-SD 4.26Å; K550-M554 VanDerWaalsContact O-CG 3.29Å; K550-M554 WeakPolarHBondContact O-CG 3.43Å; K550-M554 PolarHBondContact O-N 3.14Å |
| 551 | V | 86 | Confident | 80.7 | Confident | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 112 | L546 A547 E548 S553 M554 V555 Y1210 Y1213 | L546-V551 HydrophobicContact CB-CG2 3.6Å; L546-V551 HydrophobicContact CD1-CG2 4.29Å; A547-V551 PolarHBondContact O-N 3.18Å; A547-V551 VanDerWaalsContact O-N 3.1Å; E548-V551 PolarHBondContact O-N 3.18Å; V551-S553 PolarHBondContact O-N 3.33Å; V551-M554 PolarHBondContact O-N 3.36Å; V551-V555 HydrophobicContact CG1-CG2 4.42Å; V551-V555 WeakPolarHBondContact O-CG2 3.3Å; V551-V555 PolarHBondContact O-N 3.05Å; V551-Y1210 HydrophobicContact CB-CD2 3.8Å; V551-Y1210 HydrophobicContact CB-CE2 4.24Å; V551-Y1210 HydrophobicContact CG1-CD2 4.02Å; V551-Y1210 HydrophobicContact CG2-CD2 3.86Å; V551-Y1210 HydrophobicContact CG2-CE2 3.82Å; V551-Y1213 HydrophobicContact CG1-CD1 4.17Å; V551-Y1213 HydrophobicContact CG1-CD2 4.22Å; V551-Y1213 HydrophobicContact CG1-CG 3.77Å; V551-Y1213 HydrophobicContact CG2-CD1 3.76Å; V551-Y1213 HydrophobicContact CG2-CD2 4.32Å; V551-Y1213 HydrophobicContact CG2-CE1 3.78Å; V551-Y1213 HydrophobicContact CG2-CE2 4.35Å; V551-Y1213 HydrophobicContact CG2-CG 4.04Å |
| 552 | L | 86.2 | Confident | 80.3 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -21 | 179 | -68 | -179.5 | 0 | 0 | 0 | 113.3 | E548 R556 R1206 R1207 A1209 | E548-L552 HydrophobicContact CG-CD1 3.72Å; E548-L552 HydrophobicContact CG-CG 4.16Å; E548-L552 WeakPolarHBondContact O-CB 2.99Å; E548-L552 VanDerWaalsContact O-CG 3.3Å; E548-L552 WeakPolarHBondContact O-CG 3.31Å; E548-L552 PolarHBondContact O-N 3.44Å; L552-R556 WeakPolarHBondContact O-CD 3.32Å; L552-R556 VanDerWaalsContact O-CG 3.24Å; L552-R556 WeakPolarHBondContact O-CG 3.44Å; L552-R556 PolarHBondContact O-NE 2.83Å; L552-R1206 WeakPolarHBondContact CD2-O 3.45Å; L552-R1207 HydrophobicContact CD1-CG 4.15Å; L552-A1209 HydrophobicContact CD2-CB 4.41Å |
| 553 | S | 85.8 | Confident | 79.4 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.4 | -40.8 | 169.6 | 62 | 0 | 0 | 0 | 0 | 112 | D549 K550 V551 V555 R556 Q557 | D549-S553 VanDerWaalsContact O-CB 3.31Å; D549-S553 WeakPolarHBondContact O-CB 3.2Å; D549-S553 PolarHBondContact O-N 2.95Å; D549-S553 PolarHBondContact O-OG 3.21Å; K550-S553 PolarHBondContact O-N 3.22Å; K550-S553 PolarHBondContact O-OG 3.26Å; V551-S553 PolarHBondContact O-N 3.33Å; S553-V555 VanDerWaalsContact C-N 3.35Å; S553-V555 PolarHBondContact O-N 2.98Å; S553-R556 WeakPolarHBondContact O-CB 3.45Å; S553-R556 PolarHBondContact O-N 2.9Å; S553-R556 VanDerWaalsContact O-N 3.11Å; S553-Q557 WeakPolarHBondContact O-CG 3.3Å; S553-Q557 PolarHBondContact O-N 3.29Å |
| 554 | M | 84.8 | Confident | 78.1 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 171.7 | -69.1 | 166 | 65.7 | 0 | 0 | 111.9 | L546 K550 V551 R556 Q557 E558 | L546-M554 HydrophobicContact CD1-SD 4.13Å; K550-M554 HydrophobicContact CG-SD 4.26Å; K550-M554 VanDerWaalsContact O-CG 3.29Å; K550-M554 WeakPolarHBondContact O-CG 3.43Å; K550-M554 PolarHBondContact O-N 3.14Å; V551-M554 PolarHBondContact O-N 3.36Å; M554-R556 VanDerWaalsContact C-N 3.27Å; M554-R556 PolarHBondContact O-N 3.36Å; M554-Q557 PolarHBondContact O-N 3.36Å; M554-E558 WeakPolarHBondContact O-CB 3.43Å; M554-E558 PolarHBondContact O-N 2.75Å |
| 555 | V | 82.5 | Confident | 76.6 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -31.9 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 112.2 | V551 S553 K559 A1209 | V551-V555 HydrophobicContact CG1-CG2 4.42Å; V551-V555 WeakPolarHBondContact O-CG2 3.3Å; V551-V555 PolarHBondContact O-N 3.05Å; S553-V555 VanDerWaalsContact C-N 3.35Å; S553-V555 PolarHBondContact O-N 2.98Å; V555-K559 WeakPolarHBondContact O-CB 3.36Å; V555-K559 PolarHBondContact O-N 3.35Å; V555-K559 VanDerWaalsContact O-N 3.14Å; V555-A1209 HydrophobicContact CG1-CB 4.13Å; V555-A1209 HydrophobicContact CG2-CB 4.21Å |
| 556 | R | 78.7 | Confident | 74.9 | Confident | 130 Ų | 130 | 90.2 Ų | 90.2 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.8 | -44.4 | 172.9 | -68.7 | 168.6 | -145 | 176.3 | 7.1 | 111.5 | L552 S553 M554 E558 K559 Y560 | L552-R556 WeakPolarHBondContact O-CD 3.32Å; L552-R556 VanDerWaalsContact O-CG 3.24Å; L552-R556 WeakPolarHBondContact O-CG 3.44Å; L552-R556 PolarHBondContact O-NE 2.83Å; S553-R556 WeakPolarHBondContact O-CB 3.45Å; S553-R556 PolarHBondContact O-N 2.9Å; S553-R556 VanDerWaalsContact O-N 3.11Å; M554-R556 VanDerWaalsContact C-N 3.27Å; M554-R556 PolarHBondContact O-N 3.36Å; R556-E558 VanDerWaalsContact C-N 3.33Å; R556-E558 PolarHBondContact O-N 2.83Å; R556-K559 PolarHBondContact O-N 2.98Å; R556-Y560 VanDerWaalsContact O-CD2 3.22Å; R556-Y560 WeakPolarHBondContact O-CD2 3.34Å; R556-Y560 PolarHBondContact O-N 2.78Å |
| 557 | Q | 78.6 | Confident | 73.3 | Confident | 131 Ų | 131 | 93.2 Ų | 93.2 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 176.1 | -74.1 | 175.6 | -19.9 | 0 | 0 | 111.2 | S553 M554 K559 Y560 R561 | S553-Q557 WeakPolarHBondContact O-CG 3.3Å; S553-Q557 PolarHBondContact O-N 3.29Å; M554-Q557 PolarHBondContact O-N 3.36Å; Q557-K559 VanDerWaalsContact C-N 3.29Å; Q557-K559 PolarHBondContact O-N 2.78Å; Q557-Y560 PolarHBondContact O-N 3.03Å; Q557-R561 WeakPolarHBondContact O-CB 3.4Å; Q557-R561 PolarHBondContact O-N 2.94Å |
| 558 | E | 75.1 | Confident | 71.4 | Confident | 66 Ų | 66 | 94.8 Ų | 94.8 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.1 | -27 | 178.5 | -164.8 | 54.8 | -146.4 | 0 | 0 | 112.5 | M554 R556 R562 F762 | M554-E558 WeakPolarHBondContact O-CB 3.43Å; M554-E558 PolarHBondContact O-N 2.75Å; R556-E558 VanDerWaalsContact C-N 3.33Å; R556-E558 PolarHBondContact O-N 2.83Å; E558-R562 VanDerWaalsContact O-CG 3.31Å; E558-R562 WeakPolarHBondContact O-CG 3.38Å; E558-R562 PolarHBondContact O-N 2.92Å; E558-R562 VanDerWaalsContact O-N 3.1Å; E558-F762 VanDerWaalsContact OE1-CZ 3.29Å; E558-F762 WeakPolarHBondContact OE1-CZ 3.38Å |
| 559 | K | 74 | Confident | 69.2 | Low | 121 Ų | 121 | 97 Ų | 97 | 53% | 0.526 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.9 | -46.4 | 167.7 | -178.9 | 170.9 | 171.9 | 173.4 | 0 | 111.7 | V555 R556 Q557 R561 R562 E563 | V555-K559 WeakPolarHBondContact O-CB 3.36Å; V555-K559 PolarHBondContact O-N 3.35Å; V555-K559 VanDerWaalsContact O-N 3.14Å; R556-K559 PolarHBondContact O-N 2.98Å; Q557-K559 VanDerWaalsContact C-N 3.29Å; Q557-K559 PolarHBondContact O-N 2.78Å; K559-R561 VanDerWaalsContact C-N 3.33Å; K559-R561 PolarHBondContact O-N 2.76Å; K559-R562 WeakPolarHBondContact O-CB 3.29Å; K559-R562 PolarHBondContact O-N 2.7Å; K559-E563 WeakPolarHBondContact CE-OE1 3.43Å; K559-E563 IonicContact NZ-OE1 3.87Å; K559-E563 WeakPolarHBondContact O-CG 3.28Å; K559-E563 PolarHBondContact O-N 3.48Å |
| 560 | Y | 68.2 | Low | 66.9 | Low | 159 Ų | 159 | 95.2 Ų | 95.2 | 62% | 0.624 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 174.6 | -76.3 | -60.9 | 0 | 0 | 0 | 111.9 | R556 Q557 R562 E563 E564 | R556-Y560 VanDerWaalsContact O-CD2 3.22Å; R556-Y560 WeakPolarHBondContact O-CD2 3.34Å; R556-Y560 PolarHBondContact O-N 2.78Å; Q557-Y560 PolarHBondContact O-N 3.03Å; Y560-R562 VanDerWaalsContact C-N 3.34Å; Y560-R562 PolarHBondContact O-N 2.86Å; Y560-E563 CarbonylContact O-C 3.39Å; Y560-E563 PolarHBondContact O-N 3.08Å; Y560-E563 VanDerWaalsContact O-N 3.09Å; Y560-E564 WeakPolarHBondContact O-CG 3.39Å; Y560-E564 PolarHBondContact O-N 3.27Å |
| 561 | R | 65.5 | Low | 64.7 | Low | 154 Ų | 154 | 99.8 Ų | 99.8 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | 176.6 | -166 | 176.4 | -170.7 | 162.9 | 2.7 | 112.6 | Q557 K559 N565 | Q557-R561 WeakPolarHBondContact O-CB 3.4Å; Q557-R561 PolarHBondContact O-N 2.94Å; K559-R561 VanDerWaalsContact C-N 3.33Å; K559-R561 PolarHBondContact O-N 2.76Å; R561-N565 VanDerWaalsContact O-CB 3.31Å; R561-N565 WeakPolarHBondContact O-CB 3.5Å; R561-N565 VanDerWaalsContact O-CG 3.24Å; R561-N565 PolarHBondContact O-N 2.86Å; R561-N565 PolarHBondContact O-ND2 2.88Å |
| 562 | R | 62 | Low | 62.3 | Low | 120 Ų | 120 | 109.7 Ų | 109.7 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 169.4 | -77.6 | 172 | 179.9 | 120.7 | -2.1 | 111.9 | E558 K559 Y560 N565 M566 F762 | E558-R562 VanDerWaalsContact O-CG 3.31Å; E558-R562 WeakPolarHBondContact O-CG 3.38Å; E558-R562 PolarHBondContact O-N 2.92Å; E558-R562 VanDerWaalsContact O-N 3.1Å; K559-R562 WeakPolarHBondContact O-CB 3.29Å; K559-R562 PolarHBondContact O-N 2.7Å; Y560-R562 VanDerWaalsContact C-N 3.34Å; Y560-R562 PolarHBondContact O-N 2.86Å; R562-N565 PolarHBondContact O-N 3.42Å; R562-M566 PolarHBondContact O-N 3.27Å; R562-F762 HydrophobicContact CG-CE1 3.54Å; R562-F762 HydrophobicContact CG-CZ 4.06Å; R562-F762 VanDerWaalsContact CZ-CZ 3.42Å; R562-F762 VanDerWaalsContact NH2-CE2 3.3Å |
| 563 | E | 60.2 | Low | 59.6 | Low | 82 Ų | 82 | 114.2 Ų | 114.2 | 38% | 0.383 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | -178.7 | -72.1 | 174.2 | 170 | 0 | 0 | 112.1 | K559 Y560 M566 V567 | K559-E563 WeakPolarHBondContact CE-OE1 3.43Å; K559-E563 IonicContact NZ-OE1 3.87Å; K559-E563 WeakPolarHBondContact O-CG 3.28Å; K559-E563 PolarHBondContact O-N 3.48Å; Y560-E563 CarbonylContact O-C 3.39Å; Y560-E563 PolarHBondContact O-N 3.08Å; Y560-E563 VanDerWaalsContact O-N 3.09Å; E563-M566 WeakPolarHBondContact O-CB 3.29Å; E563-M566 PolarHBondContact O-N 2.99Å; E563-V567 VanDerWaalsContact O-CG2 3.31Å; E563-V567 WeakPolarHBondContact O-CG2 3.31Å; E563-V567 PolarHBondContact O-N 2.93Å |
| 564 | E | 55.1 | Low | 57.2 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -44.5 | 172.4 | -72.9 | -174 | 145.4 | 0 | 0 | 112.2 | Y560 M566 V567 C568 | Y560-E564 WeakPolarHBondContact O-CG 3.39Å; Y560-E564 PolarHBondContact O-N 3.27Å; E564-M566 VanDerWaalsContact C-N 3.3Å; E564-M566 PolarHBondContact O-N 3.49Å; E564-V567 PolarHBondContact O-N 3.32Å; E564-C568 WeakPolarHBondContact O-CB 3.47Å; E564-C568 PolarHBondContact O-N 2.8Å |
| 565 | N | 51.7 | Low | 54.6 | Low | 99 Ų | 99 | 128.1 Ų | 128.1 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61 | -38.8 | 173.9 | -78.1 | -21.5 | 0 | 0 | 0 | 111.8 | R561 R562 S569 | R561-N565 VanDerWaalsContact O-CB 3.31Å; R561-N565 WeakPolarHBondContact O-CB 3.5Å; R561-N565 VanDerWaalsContact O-CG 3.24Å; R561-N565 PolarHBondContact O-N 2.86Å; R561-N565 PolarHBondContact O-ND2 2.88Å; R562-N565 PolarHBondContact O-N 3.42Å; N565-S569 WeakPolarHBondContact O-CB 3.4Å; N565-S569 PolarHBondContact O-N 3.45Å |
| 566 | M | 49.6 | Very low | 52 | Low | 142 Ų | 142 | 133.1 Ų | 133.1 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64 | -44.8 | 172 | -100.5 | -178.4 | 63.4 | 0 | 0 | 112.4 | R562 E563 E564 S569 A570 | R562-M566 PolarHBondContact O-N 3.27Å; E563-M566 WeakPolarHBondContact O-CB 3.29Å; E563-M566 PolarHBondContact O-N 2.99Å; E564-M566 VanDerWaalsContact C-N 3.3Å; E564-M566 PolarHBondContact O-N 3.49Å; M566-S569 PolarHBondContact O-N 3.42Å; M566-A570 VanDerWaalsContact O-CB 3.25Å; M566-A570 WeakPolarHBondContact O-CB 3.46Å; M566-A570 PolarHBondContact O-N 3.13Å |
| 567 | V | 50.7 | Low | 50 | Low | 84 Ų | 84 | 135 Ų | 135 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.4 | -36 | -179.4 | 168.8 | 0 | 0 | 0 | 0 | 112 | E563 E564 | E563-V567 VanDerWaalsContact O-CG2 3.31Å; E563-V567 WeakPolarHBondContact O-CG2 3.31Å; E563-V567 PolarHBondContact O-N 2.93Å; E564-V567 PolarHBondContact O-N 3.32Å |
| 568 | C | 45.2 | Very low | 47.6 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.7 | -33.5 | 172.5 | -78.6 | 0 | 0 | 0 | 0 | 112.8 | E564 | E564-C568 WeakPolarHBondContact O-CB 3.47Å; E564-C568 PolarHBondContact O-N 2.8Å |
| 569 | S | 41.2 | Very low | 45.6 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.9 | -42.1 | 174.2 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | N565 M566 K571 R572 | N565-S569 WeakPolarHBondContact O-CB 3.4Å; N565-S569 PolarHBondContact O-N 3.45Å; M566-S569 PolarHBondContact O-N 3.42Å; S569-K571 PolarHBondContact O-N 3.37Å; S569-R572 PolarHBondContact O-N 2.91Å |
| 570 | A | 36.9 | Very low | 43.6 | Very low | 80 Ų | 80 | 139 Ų | 139 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -11.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M566 | M566-A570 VanDerWaalsContact O-CB 3.25Å; M566-A570 WeakPolarHBondContact O-CB 3.46Å; M566-A570 PolarHBondContact O-N 3.13Å |
| 571 | K | 41.4 | Very low | 41.9 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 9.6 | 178.9 | -73.4 | -176.1 | 176.9 | 176.7 | 0 | 114.7 | S569 | S569-K571 PolarHBondContact O-N 3.37Š|
| 572 | R | 35.4 | Very low | 40.1 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -120.4 | 27.8 | -171 | -145.5 | 177.8 | -171.4 | 154.5 | 5.6 | 117.4 | S569 | S569-R572 PolarHBondContact O-N 2.91Š|
| 573 | T | 30.1 | Very low | 38.7 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -142.6 | 52 | 178 | 40.7 | 0 | 0 | 0 | 0 | 115.3 | M767 | T573-M767 HydrophobicContact CG2-CE 3.96Š|
| 574 | R | 33.6 | Very low | 37.2 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -152.9 | 154.7 | 155.5 | -120.2 | 168.4 | -174.5 | 152.4 | 3.2 | 112.3 | ||
| 575 | F | 31.1 | Very low | 35.9 | Very low | 201 Ų | 201 | 139 Ų | 139 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | 67.6 | 98.5 | -170.9 | -54.9 | -73.3 | 0 | 0 | 0 | 115.4 | ||||
| 576 | L | 28.5 | Very low | 34.9 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -86.7 | 130.4 | 148.7 | -71.6 | 169.3 | 0 | 0 | 0 | 108.1 | ||||
| 577 | L | 35.7 | Very low | 33.8 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -172.2 | 155.7 | 139.1 | -102.3 | 172.3 | 0 | 0 | 0 | 109.1 | ||||
| 578 | N | 29.4 | Very low | 32.8 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -97.4 | 147.1 | -169.9 | -50.2 | -26.8 | 0 | 0 | 0 | 112.2 | ||||
| 579 | A | 33.2 | Very low | 32 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -172.9 | 122.9 | 134.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 580 | D | 30.8 | Very low | 31.5 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 47.5 | 143.2 | 133 | -50.4 | -19.9 | 0 | 0 | 0 | 125 | ||||
| 581 | A | 32.2 | Very low | 31.3 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 106.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 582 | E | 28.4 | Very low | 30.6 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | 48.8 | 129.5 | 119.6 | -61.8 | -171.4 | 172.2 | 0 | 0 | 123.8 | |||||
| 583 | S | 33.1 | Very low | 30.5 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | 81.6 | 117.3 | 135.3 | -156.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 584 | M | 27.2 | Very low | 30.5 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | 35.4 | 137.4 | 145.2 | -55.5 | -162.8 | -55.5 | 0 | 0 | 122.2 | ||||
| 585 | G | 28.8 | Very low | 30.4 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 161.4 | 98 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 586 | A | 30.2 | Very low | 30.2 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -36.4 | 150.6 | 171 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 587 | S | 26.6 | Very low | 30.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 71.1 | 118.1 | 130.3 | 67.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 588 | S | 29.9 | Very low | 29.9 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | 79.9 | 123.9 | 120.4 | 68.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 589 | D | 28.4 | Very low | 29.9 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 106.6 | 131.5 | -59.8 | -0.6 | 0 | 0 | 0 | 123.2 | ||||
| 590 | H | 31.6 | Very low | 29.8 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 58% | 0.579 | 79% | 0.791 | S | S | * | * | 71.8 | 126 | 117.6 | -168.6 | 72.3 | 0 | 0 | 0 | 121 | D592 | H590-D592 IonicContact CE1-OD1 3.52Å; H590-D592 IonicContact CE1-OD2 3.57Å; H590-D592 IonicContact NE2-OD2 3.61Å | |||
| 591 | F | 31.5 | Very low | 29.6 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | -166.8 | 159.8 | 121.8 | -98.8 | -60.7 | 0 | 0 | 0 | 111.2 | |||||
| 592 | D | 26.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | trans | -88.8 | 161.9 | -171.2 | -40.3 | -87.2 | 0 | 0 | 0 | 114.7 | H590 | H590-D592 IonicContact CE1-OD1 3.52Å; H590-D592 IonicContact CE1-OD2 3.57Å; H590-D592 IonicContact NE2-OD2 3.61Å | ||
| 593 | E | 32.5 | Very low | 29.3 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -149.5 | 157.3 | 142.4 | -160.3 | 159 | -139.8 | 0 | 0 | 110.8 | ||||
| 594 | A | 29.9 | Very low | 29 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -145.7 | 178 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 595 | V | 31.6 | Very low | 29.1 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 91.5 | 109.4 | 179.6 | -170.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 596 | S | 28 | Very low | 29.2 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -25.9 | 152.4 | 159.1 | -39.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 597 | D | 30.6 | Very low | 29 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | -163.4 | 175.8 | 93.6 | -103.3 | -10.6 | 0 | 0 | 0 | 114.9 | |||||
| 598 | E | 27.1 | Very low | 29.1 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -57.7 | 140.9 | -162.7 | -48.2 | 177.9 | 131 | 0 | 0 | 117.1 | ||||
| 599 | Q | 29.9 | Very low | 28.9 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | 172.9 | 119.1 | 116.3 | -96.4 | 176.3 | 42.9 | 0 | 0 | 114 | |||||
| 600 | A | 30.4 | Very low | 29 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | trans | -174.5 | 145.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 601 | S | 27.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -147.4 | 152.2 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 602 | M | 29.7 | Very low | 28.7 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 164.9 | 160.3 | -90.8 | -175.4 | 163.8 | 0 | 0 | 120.4 | ||||
| 603 | T | 24.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 150.9 | -164.4 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 604 | S | 26.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 177.3 | 159.9 | 136.9 | 35.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 605 | S | 28.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -98.4 | 164.1 | -174.3 | -42.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 606 | V | 32.1 | Very low | 28.7 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | 179.8 | 155.6 | 113.3 | 150.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 607 | E | 25.2 | Very low | 29 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -53.3 | -179.2 | -178 | -47.2 | 173.5 | -177.6 | 0 | 0 | 115.7 | ||||
| 608 | Q | 28.7 | Very low | 29.2 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 59% | 0.593 | 77% | 0.772 | S | S | * | * | cis | -169.6 | 160.8 | 30.8 | -149.9 | 174.4 | 72 | 0 | 0 | 114.1 | ||||
| 609 | M | 25.5 | Very low | 29.1 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 43% | 0.433 | 78% | 0.775 | S | S | . | * | trans | 71.8 | 153 | 163.1 | -51.3 | -151.3 | 75.8 | 0 | 0 | 119 | S677 G678 | M609-S677 VanDerWaalsContact SD-C 3.54Å; M609-G678 WeakPolarHBondContact CE-O 3.4Å; M609-G678 PolarHBondContact SD-N 3.36Å | ||
| 610 | T | 30.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | cis | -135.4 | 157.8 | 12.9 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 611 | N | 26.7 | Very low | 29.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -79.8 | 153.8 | 177.9 | -58.2 | -9.5 | 0 | 0 | 0 | 115.3 | ||||
| 612 | A | 30.9 | Very low | 29.1 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -167 | 150 | 135.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 613 | D | 30 | Very low | 29.1 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 45.2 | 97.7 | 157.6 | -53.3 | -13.3 | 0 | 0 | 0 | 120.9 | ||||
| 614 | M | 31.5 | Very low | 29.6 | Very low | 177 Ų | 177 | 134 Ų | 134 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | -167.8 | 131.7 | 95.2 | -100.7 | -63.2 | -76.1 | 0 | 0 | 112 | |||||
| 615 | S | 25.4 | Very low | 29.6 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -113.5 | 120.3 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 616 | A | 34 | Very low | 29.7 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -162.6 | 118.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 617 | L | 34.1 | Very low | 29.6 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | 60.2 | 137.2 | 159 | -53.4 | 168.9 | 0 | 0 | 0 | 118.4 | ||||
| 618 | N | 34.1 | Very low | 30 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | cis | -162.5 | 108.9 | -19.5 | 174.6 | 59.2 | 0 | 0 | 0 | 108.1 | N620 | N618-N620 PolarHBondContact O-N 2.93Š| ||
| 619 | D | 25.2 | Very low | 30.1 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -77.5 | 111.5 | 170.1 | -79.8 | -49 | 0 | 0 | 0 | 109.9 | ||||
| 620 | N | 33.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | -170.6 | 102 | 160.5 | -102.1 | -45 | 0 | 0 | 0 | 110.8 | N618 | N618-N620 PolarHBondContact O-N 2.93Š| ||
| 621 | F | 29.5 | Very low | 30.3 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | 170.6 | 80.7 | 133.9 | -100.3 | -65.5 | 0 | 0 | 0 | 112.1 | ||||
| 622 | S | 25.9 | Very low | 30.4 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -165.7 | 81.1 | 155.9 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 623 | D | 28.1 | Very low | 30.3 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -167.6 | 92.3 | 157.7 | -114.9 | -4.2 | 0 | 0 | 0 | 111.6 | ||||
| 624 | V | 35.5 | Very low | 30.4 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -160.5 | 118.9 | 139.8 | 171.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 625 | D | 26.8 | Very low | 30.2 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -72.6 | 136 | 170.4 | -85.2 | -58.5 | 0 | 0 | 0 | 111.4 | ||||
| 626 | V | 30.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 119.7 | 167.5 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 627 | V | 31.8 | Very low | 30.3 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -111.9 | 121.6 | 172.3 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 628 | P | 31.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | trans | -85.8 | 158.8 | 175.4 | 35.7 | -34.9 | 0 | 0 | 0 | 111.7 | ||||
| 629 | I | 30.8 | Very low | 30.9 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -171.6 | 152.1 | 149.3 | -102 | 151.8 | 0 | 0 | 0 | 108.5 | ||||
| 630 | S | 28 | Very low | 31.3 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -130.8 | 168 | -177.5 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 631 | A | 32.8 | Very low | 31.1 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | 75.9 | 97.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 632 | N | 28.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | 20 | 140.8 | 98.1 | -92.9 | 3.9 | 0 | 0 | 0 | 118.3 | |||||
| 633 | V | 29.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | cis | -155.2 | 158.9 | 9.5 | -158.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 634 | S | 31.1 | Very low | 31.9 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 76.4 | 147.3 | 150.8 | -148.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 635 | G | 28.7 | Very low | 31.9 | Very low | 60 Ų | 60 | 127.2 Ų | 127.2 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | cis | 164.1 | 149.4 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 636 | R | 31.8 | Very low | 32.2 | Very low | 263 Ų | 263 | 127.3 Ų | 127.3 | 99% | 0.992 | 78% | 0.777 | S | S | * | * | trans | 70.5 | 145.6 | 178.2 | -58.4 | 177.3 | 165.1 | -178.1 | -3.1 | 117.3 | ||||
| 637 | G | 29 | Very low | 32.7 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 167.6 | -3.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 638 | S | 38.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 164.7 | 177.7 | -36.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 639 | P | 41.1 | Very low | 32.5 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -146.5 | 177.9 | 15.1 | 44.8 | -26.1 | 0 | 0 | 0 | 118.2 | ||||
| 640 | S | 34.2 | Very low | 32.6 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 176.3 | 126.6 | 144.2 | -79.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 641 | I | 29.5 | Very low | 33.1 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | 61.6 | 129.9 | 60.2 | -128 | 170.3 | 0 | 0 | 0 | 112.3 | |||||
| 642 | S | 34.2 | Very low | 33 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | cis | -137.3 | 157.5 | 11.8 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 643 | G | 30 | Very low | 33 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -101.3 | 177.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 644 | R | 35.2 | Very low | 33.6 | Very low | 220 Ų | 220 | 127 Ų | 127 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -169.2 | 152.6 | 159.2 | -105.9 | -178.2 | 98.1 | 112.5 | 13.8 | 114.1 | ||||
| 645 | D | 35.5 | Very low | 33.6 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | trans | 67.8 | 88.8 | 142.4 | -60.4 | 1.3 | 0 | 0 | 0 | 123.8 | ||||
| 646 | T | 33.7 | Very low | 33.7 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | 78.9 | 156.7 | 122.9 | 44.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 647 | P | 40.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -129 | -168.9 | -159.9 | 45.2 | -29.1 | 0 | 0 | 0 | 114.7 | ||||
| 648 | S | 26.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 179.6 | 156.6 | 132.3 | -163.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 649 | S | 32.5 | Very low | 33.4 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 62.7 | 144.9 | 147.9 | 51.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 650 | V | 32.7 | Very low | 32.6 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | cis | -166.3 | 157.5 | -25.9 | 111.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 651 | P | 39.2 | Very low | 32.4 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | trans | -101.8 | 176.3 | -167.9 | 40.3 | -36 | 0 | 0 | 0 | 114.9 | ||||
| 652 | L | 30.7 | Very low | 32.3 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 89% | 0.885 | 73% | 0.727 | S | S | * | * | trans | 179.1 | 151.2 | 130.1 | -97.2 | 161.7 | 0 | 0 | 0 | 114.9 | ||||
| 653 | D | 27.6 | Very low | 32 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -87.6 | -172.8 | 166.8 | -81.8 | -57.7 | 0 | 0 | 0 | 111.5 | ||||
| 654 | P | 41.8 | Very low | 32.1 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | cis | -137.3 | -164.7 | -19.1 | 28.4 | -3.8 | 0 | 0 | 0 | 114.9 | ||||
| 655 | N | 31 | Very low | 31.6 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | 106.7 | 131.5 | 133.5 | -95.7 | 35.6 | 0 | 0 | 0 | 123.8 | ||||
| 656 | D | 30.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | trans | 88.2 | 99 | 133.8 | -65.5 | -16.7 | 0 | 0 | 0 | 125.6 | ||||
| 657 | N | 31.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | 87.1 | 116.8 | 108.6 | -65.4 | -23.2 | 0 | 0 | 0 | 124.7 | |||||
| 658 | A | 29.8 | Very low | 30.6 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | 111 | 133 | 109.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 659 | Y | 32.1 | Very low | 30.8 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | 71.6 | 151.9 | 141.7 | -84.3 | -129 | 0 | 0 | 0 | 120.6 | ||||
| 660 | E | 26.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | cis | -167.1 | 163.1 | -29.7 | -122.9 | -169.4 | -168.8 | 0 | 0 | 113 | ||||
| 661 | L | 28.9 | Very low | 30.6 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 71% | 0.707 | 76% | 0.755 | S | S | * | * | trans | 37.1 | 108.9 | 151.7 | -95.1 | 74.7 | 0 | 0 | 0 | 125.6 | ||||
| 662 | S | 27.7 | Very low | 30 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | 82.8 | 132.3 | 106.8 | 84.2 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 663 | S | 28.4 | Very low | 30.3 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | 114.1 | 147.2 | 118.2 | 82.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 664 | Q | 31 | Very low | 30.3 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | 81.5 | 161.1 | 156.7 | -66.2 | -176.4 | 43.2 | 0 | 0 | 122.3 | ||||
| 665 | S | 25.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -164.9 | 162.2 | -152 | 58 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 666 | T | 27.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 171.4 | 148.7 | 142.1 | 26.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 667 | S | 31.2 | Very low | 29.7 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 67.4 | 147.4 | 159.8 | 73.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 668 | G | 30.5 | Very low | 29.6 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | cis | 179.3 | 136 | -11.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 669 | N | 31 | Very low | 29.5 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | 52.2 | 111.4 | 153.9 | -69.3 | 0.6 | 0 | 0 | 0 | 125.8 | ||||
| 670 | S | 27.9 | Very low | 29.2 | Very low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | 79.8 | 110.1 | 119.3 | -160.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 671 | A | 31.6 | Very low | 29.2 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -171.9 | 164.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 672 | R | 26.7 | Very low | 29 | Very low | 217 Ų | 217 | 123.3 Ų | 123.3 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -108.7 | 179.7 | -179.7 | -130.7 | -173.9 | 171.9 | -179.6 | 1.5 | 109.7 | ||||
| 673 | P | 36.6 | Very low | 29.2 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | cis | -148.6 | 155.9 | 0.6 | 39.3 | -17 | 0 | 0 | 0 | 121.8 | ||||
| 674 | K | 28.9 | Very low | 29 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 71.4 | 153.3 | 136.9 | -75.7 | -173.8 | 170.9 | -168 | 0 | 124.9 | ||||
| 675 | V | 30.9 | Very low | 28.9 | Very low | 132 Ų | 132 | 122 Ų | 122 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | 74.9 | 110 | 166.4 | -157.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 676 | S | 29.4 | Very low | 29.2 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | 89.6 | 134.1 | 33.6 | -175.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 677 | S | 31.3 | Very low | 29.2 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | cis | -167.5 | 176.8 | -13.1 | -76.2 | 0 | 0 | 0 | 0 | 107.5 | M609 | M609-S677 VanDerWaalsContact SD-C 3.54Š| ||
| 678 | G | 27.9 | Very low | 29.1 | Very low | 60 Ų | 60 | 123.7 Ų | 123.7 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | cis | 137.7 | 92.6 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | M609 | M609-G678 WeakPolarHBondContact CE-O 3.4Å; M609-G678 PolarHBondContact SD-N 3.36Å | ||
| 679 | S | 27.6 | Very low | 29 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -155.5 | 155.6 | 167.4 | -166.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 680 | L | 25.8 | Very low | 28.9 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | 86.3 | 114.6 | 171 | -62.9 | 178.6 | 0 | 0 | 0 | 122 | ||||
| 681 | V | 27.2 | Very low | 29 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | trans | 76.1 | 99.2 | 141.2 | -175.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 682 | I | 24 | Very low | 29 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 80% | 0.795 | 73% | 0.733 | S | S | * | * | 47 | 143 | 119.2 | -57.8 | 169.9 | 0 | 0 | 0 | 119.8 | |||||
| 683 | P | 32 | Very low | 29 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | cis | -133.1 | 164.7 | -2.6 | 34.1 | -14.2 | 0 | 0 | 0 | 118.7 | ||||
| 684 | A | 25.3 | Very low | 28.6 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 48.8 | 134.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 685 | I | 28.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | 169.3 | 122 | 117 | -90.7 | 169.9 | 0 | 0 | 0 | 113.6 | |||||
| 686 | K | 30.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | 58.1 | 154.7 | 147.4 | -69.2 | -176.2 | 170.3 | -82.7 | 0 | 122.3 | ||||
| 687 | E | 27.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 139 Ų | 139 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | cis | -166 | 145.7 | -22.9 | -118.8 | 161.6 | -165.9 | 0 | 0 | 113.5 | ||||
| 688 | A | 28.8 | Very low | 28.8 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 76.2 | 145.9 | 137.1 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 689 | A | 27.7 | Very low | 28.9 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | 80.1 | 138.8 | 158 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 690 | M | 29.1 | Very low | 28.9 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -135.6 | 153.4 | 14.4 | -68.8 | 175 | -68.3 | 0 | 0 | 114.5 | ||||
| 691 | E | 30.6 | Very low | 28.9 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | 73.4 | 136.9 | 152.5 | -72.6 | 167 | 163.8 | 0 | 0 | 123.2 | ||||
| 692 | E | 31.4 | Very low | 29.1 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | trans | 48.7 | 123.7 | 168.6 | -57.6 | -131.9 | 121.4 | 0 | 0 | 120.6 | ||||
| 693 | R | 28.1 | Very low | 29.2 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -153.8 | 127.8 | -8.5 | -95.4 | -177.5 | -167.6 | 174.7 | 13.9 | 110.4 | ||||
| 694 | F | 26.5 | Very low | 28.9 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 100% | 1.013 | 79% | 0.789 | S | S | * | * | trans | -161.1 | 135.3 | 158.1 | -103.5 | -75.4 | 0 | 0 | 0 | 109.8 | ||||
| 695 | G | 33.2 | Very low | 29 | Very low | 76 Ų | 76 | 152 Ų | 152 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -165.7 | 79.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 696 | K | 34.2 | Very low | 28.9 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 18 | 120.8 | 154.2 | -67.6 | 177.8 | 175.9 | 175.9 | 0 | 122.5 | ||||
| 697 | F | 29.1 | Very low | 28.8 | Very low | 216 Ų | 216 | 153.8 Ų | 153.8 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | trans | 16.4 | 124.8 | 131.6 | -58.6 | -85.3 | 0 | 0 | 0 | 121.5 | ||||
| 698 | G | 29.2 | Very low | 28.7 | Very low | 79 Ų | 79 | 156.4 Ų | 156.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -177.8 | 147.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 699 | I | 30.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 158.8 Ų | 158.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -122.2 | 131 | -172.7 | -69.7 | 174.8 | 0 | 0 | 0 | 108 | ||||
| 700 | P | 28.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | -146.9 | 176.1 | 69.8 | 38.9 | -18.1 | 0 | 0 | 0 | 119.4 | |||||
| 701 | R | 25.4 | Very low | 28.6 | Very low | 238 Ų | 238 | 158 Ų | 158 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -47.7 | 163.3 | 176.3 | -70.8 | 177.9 | 177.1 | 171.1 | -2.1 | 115.9 | ||||
| 702 | P | 31.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 157.8 Ų | 157.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -134.3 | -165.5 | 18.5 | 43.8 | -26.9 | 0 | 0 | 0 | 116.7 | ||||
| 703 | T | 25.1 | Very low | 28.7 | Very low | 103 Ų | 103 | 155.3 Ų | 155.3 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | trans | 76.9 | 110.6 | 164.9 | 37.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 704 | R | 26.5 | Very low | 28.6 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | 73.9 | 108.1 | 142 | -60.2 | -169.9 | 104.6 | 117.4 | 12.1 | 121 | ||||
| 705 | E | 26.3 | Very low | 28.7 | Very low | 135 Ų | 135 | 148 Ų | 148 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | 94.6 | 126.5 | 121 | -74 | 160.2 | -166.1 | 0 | 0 | 119.8 | |||||
| 706 | F | 27.9 | Very low | 28.4 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | trans | 70.9 | 123.6 | 172.9 | -66.5 | -77 | 0 | 0 | 0 | 121.6 | ||||
| 707 | H | 28.8 | Very low | 28 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | 56.5 | 85.3 | 165.9 | -60.2 | -62.9 | 0 | 0 | 0 | 120 | ||||
| 708 | R | 24.3 | Very low | 28.1 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | -102.9 | 134.4 | 126.9 | -100.9 | -170.5 | 178 | -150.1 | 3.3 | 108.7 | E710 | R708-E710 WeakPolarHBondContact CD-OE1 3.49Å; R708-E710 IonicContact CZ-OE1 3.53Å; R708-E710 IonicContact NE-OE1 2.75Å; R708-E710 IonicContact NH1-OE1 3.49Å; R708-E710 PolarHBondContact NH1-OE1 2.96Å | |||
| 709 | D | 29 | Very low | 28.4 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | -166.8 | 135.6 | 125.4 | -86.3 | -23.1 | 0 | 0 | 0 | 104.8 | |||||
| 710 | E | 25.5 | Very low | 28.5 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 55% | 0.551 | 71% | 0.708 | S | S | * | * | cis | 76.2 | 115.5 | 38.7 | -57.8 | -169.9 | -144 | 0 | 0 | 113.6 | R708 | R708-E710 WeakPolarHBondContact CD-OE1 3.49Å; R708-E710 IonicContact CZ-OE1 3.53Å; R708-E710 IonicContact NE-OE1 2.75Å; R708-E710 IonicContact NH1-OE1 3.49Å; R708-E710 PolarHBondContact NH1-OE1 2.96Å | ||
| 711 | T | 29.4 | Very low | 28.7 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | 51 | 100.4 | 158.6 | 53.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 712 | H | 27.7 | Very low | 28.9 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 82% | 0.819 | 67% | 0.671 | S | S | * | * | trans | -138.3 | 79.7 | 150.2 | -165.2 | -77.5 | 0 | 0 | 0 | 108.1 | ||||
| 713 | S | 36.6 | Very low | 28.8 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | cis | 59.1 | 74.2 | 48.7 | -158.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 714 | M | 26.4 | Very low | 29 | Very low | 162 Ų | 162 | 132 Ų | 132 | 80% | 0.798 | 67% | 0.674 | S | S | * | * | trans | -68.3 | 157.2 | 169.7 | -65.2 | 161 | 60.4 | 0 | 0 | 111 | ||||
| 715 | V | 28 | Very low | 29 | Very low | 114 Ų | 114 | 128 Ų | 128 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | trans | 76.4 | 94.7 | 174.3 | -166.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 716 | S | 28.1 | Very low | 29.3 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -165.5 | 96.9 | 134.9 | -73.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 717 | D | 24.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | 79.7 | 93.9 | 77.9 | -74.8 | -20.2 | 0 | 0 | 0 | 113.4 | |||||
| 718 | S | 31.2 | Very low | 29.5 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -156.9 | 124.1 | 157.1 | -65.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 719 | W | 34.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 119.1 Ų | 119.1 | 64% | 0.644 | 68% | 0.675 | S | S | * | * | cis | 56.2 | 110.7 | 9.2 | -70.4 | 75.4 | 0 | 0 | 0 | 114.4 | F1022 | W719-F1022 HydrophobicContact CE3-CB 4.22Å; W719-F1022 HydrophobicContact CH2-CB 3.85Å; W719-F1022 HydrophobicContact CZ2-CB 4.47Å; W719-F1022 HydrophobicContact CZ3-CB 3.71Å | ||
| 720 | S | 32.5 | Very low | 29.8 | Very low | 24 Ų | 24 | 120.1 Ų | 120.1 | 17% | 0.168 | 68% | 0.677 | C | S | . | * | cis | -163 | 139.1 | -3 | -162.7 | 0 | 0 | 0 | 0 | 112.1 | F1022 | S720-F1022 WeakPolarHBondContact OG-CD2 3.34Š| ||
| 721 | T | 34 | Very low | 29.9 | Very low | 50 Ų | 50 | 117.8 Ų | 117.8 | 31% | 0.307 | 69% | 0.685 | S | S | . | * | trans | 62 | 152.3 | 150.4 | 30.5 | 0 | 0 | 0 | 0 | 119.6 | I1020 Y1021 F1022 | T721-I1020 VanDerWaalsContact OG1-CB 3.32Å; T721-I1020 WeakPolarHBondContact OG1-CB 3.42Å; T721-I1020 VanDerWaalsContact OG1-CG2 3.25Å; T721-I1020 WeakPolarHBondContact OG1-CG2 3.41Å; T721-Y1021 PolarHBondContact OG1-O 3.22Å; T721-F1022 HydrophobicContact CG2-CD2 3.65Å; T721-F1022 HydrophobicContact CG2-CE2 3.59Å | ||
| 722 | D | 28.8 | Very low | 29.9 | Very low | 120 Ų | 120 | 115.1 Ų | 115.1 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | cis | -147.4 | -178.2 | 8.2 | -135.7 | -44.3 | 0 | 0 | 0 | 114.9 | ||||
| 723 | V | 29.2 | Very low | 30 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 87.1 | 88.6 | 171.9 | -166 | 0 | 0 | 0 | 0 | 116.7 | ||
| 724 | L | 30.1 | Very low | 29.6 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | trans | 54.5 | 102.4 | 153.5 | -62.9 | 178.6 | 0 | 0 | 0 | 118.5 | S726 | L724-S726 PolarHBondContact O-N 2.91Š| ||
| 725 | A | 25.8 | Very low | 29.6 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | trans | -65.5 | 130.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 726 | S | 32.1 | Very low | 29.7 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -143 | 82.5 | 159 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | L724 | L724-S726 PolarHBondContact O-N 2.91Š| ||
| 727 | D | 28.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | trans | -135.9 | 127.6 | 161.2 | -140.6 | -25.2 | 0 | 0 | 0 | 113.3 | E729 | D727-E729 PolarHBondContact OD1-N 3.12Š| ||
| 728 | S | 32.6 | Very low | 29.9 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | trans | -176.8 | 44.1 | 168.1 | -68.1 | 0 | 0 | 0 | 0 | 106.7 | M730 | S728-M730 PolarHBondContact O-N 3.1Å; S728-M730 VanDerWaalsContact O-N 3.11Å | ||
| 729 | E | 30.2 | Very low | 29.5 | Very low | 177 Ų | 177 | 115.2 Ų | 115.2 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | trans | -68 | 107.3 | 163.8 | -70.2 | -149 | 153.2 | 0 | 0 | 108.3 | D727 G731 | D727-E729 PolarHBondContact OD1-N 3.12Å; E729-G731 PolarHBondContact O-N 3.33Å; E729-G731 VanDerWaalsContact O-N 3.13Å | ||
| 730 | M | 29.4 | Very low | 29.3 | Very low | 167 Ų | 167 | 114.2 Ų | 114.2 | 82% | 0.823 | 71% | 0.708 | S | S | * | * | trans | -70.2 | 101.5 | 158.5 | -176.2 | 84.1 | -174.4 | 0 | 0 | 106.1 | S728 G732 | S728-M730 PolarHBondContact O-N 3.1Å; S728-M730 VanDerWaalsContact O-N 3.11Å; M730-G732 PolarHBondContact O-N 3.25Å | ||
| 731 | G | 27.9 | Very low | 29.1 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -50.1 | 127.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E729 | E729-G731 PolarHBondContact O-N 3.33Å; E729-G731 VanDerWaalsContact O-N 3.13Å | ||
| 732 | G | 28.1 | Very low | 28.7 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -147.9 | 43.4 | -162 | 0 | 0 | 0 | 0 | 0 | 114.7 | M730 | M730-G732 PolarHBondContact O-N 3.25Š| ||
| 733 | E | 30 | Very low | 28.7 | Very low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | 61.2 | 123.7 | 161.9 | -59.5 | -174.3 | 162.2 | 0 | 0 | 119.2 | P735 | E733-P735 WeakPolarHBondContact O-CD 3.45Š| ||
| 734 | T | 28.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -81.8 | 123 | 176.3 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | G736 | T734-G736 PolarHBondContact O-N 3.36Š| ||
| 735 | P | 27 | Very low | 28.6 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -84.6 | 62.6 | 169 | 34.2 | -34.1 | 0 | 0 | 0 | 111.3 | E733 A737 | E733-P735 WeakPolarHBondContact O-CD 3.45Å; P735-A737 VanDerWaalsContact C-N 3.28Å; P735-A737 PolarHBondContact O-N 3.26Å | ||
| 736 | G | 29.5 | Very low | 28.8 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -75.9 | 62.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T734 I738 | T734-G736 PolarHBondContact O-N 3.36Å; G736-I738 PolarHBondContact O-N 3.12Å | ||
| 737 | A | 27.9 | Very low | 28.7 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -82.5 | 97.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P735 | P735-A737 VanDerWaalsContact C-N 3.28Å; P735-A737 PolarHBondContact O-N 3.26Å | ||
| 738 | I | 29.3 | Very low | 28.7 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -94.2 | 125.6 | 155.6 | -68.8 | -178.7 | 0 | 0 | 0 | 108.9 | G736 | G736-I738 PolarHBondContact O-N 3.12Š| ||
| 739 | V | 24 | Very low | 28.7 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -93.7 | 111.8 | -175.7 | 176.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 740 | I | 30.3 | Very low | 28.5 | Very low | 149 Ų | 149 | 119 Ų | 119 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -135.9 | 107.5 | 155.2 | -58 | -176 | 0 | 0 | 0 | 110.4 | ||||
| 741 | N | 27.8 | Very low | 28.5 | Very low | 149 Ų | 149 | 119 Ų | 119 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 19.5 | 96.2 | 152.9 | -58.6 | -17.5 | 0 | 0 | 0 | 120.5 | ||||
| 742 | G | 26 | Very low | 28.6 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | 71.8 | 112.3 | 104.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 743 | S | 28.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | 155.1 | 124.7 | 117.5 | -69.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 744 | Q | 31.5 | Very low | 28.4 | Very low | 199 Ų | 199 | 120.8 Ų | 120.8 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | trans | 78.8 | 157.4 | 157.8 | -59.7 | -177.2 | 12.1 | 0 | 0 | 119.6 | ||||
| 745 | S | 26.3 | Very low | 28.4 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -122.7 | 157.3 | -153.4 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 746 | G | 30 | Very low | 28.5 | Very low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -150.2 | 2.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 747 | L | 29.5 | Very low | 28.6 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 53% | 0.529 | 75% | 0.75 | S | S | . | * | trans | 58.5 | 132 | 164.2 | -68.3 | 148.2 | 0 | 0 | 0 | 120.1 | S791 | L747-S791 VanDerWaalsContact O-CB 3.29Å; L747-S791 WeakPolarHBondContact O-CB 3.49Å; L747-S791 PolarHBondContact O-OG 2.86Å | ||
| 748 | L | 28.9 | Very low | 28.5 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -87 | 178.1 | 177.1 | -110.1 | 165.3 | 0 | 0 | 0 | 113.7 | S791 | L748-S791 WeakPolarHBondContact O-CB 3.32Š| ||
| 749 | P | 32.3 | Very low | 28.4 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 42% | 0.422 | 74% | 0.739 | S | S | . | * | -141.7 | 159.9 | 118.7 | 33.8 | -14.8 | 0 | 0 | 0 | 114.8 | W790 | P749-W790 HydrophobicContact CB-CD2 4.1Å; P749-W790 HydrophobicContact CB-CE3 3.55Å; P749-W790 HydrophobicContact CB-CH2 3.87Å; P749-W790 HydrophobicContact CB-CZ2 4.4Å; P749-W790 HydrophobicContact CB-CZ3 3.43Å; P749-W790 VanDerWaalsContact CB-CZ3 3.43Å; P749-W790 HydrophobicContact CG-CE3 4.47Å | |||
| 750 | D | 27.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | trans | -80.5 | 168.5 | -171.6 | -57.3 | -75.3 | 0 | 0 | 0 | 116.2 | ||||
| 751 | L | 27.8 | Very low | 28.4 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | 149 | 128.3 | 130 | -73.5 | 172.4 | 0 | 0 | 0 | 108.4 | ||||
| 752 | V | 30.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | cis | -148.6 | 157.4 | 7.2 | 123.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 753 | P | 28.1 | Very low | 28.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 164.5 | -173.1 | -6.2 | 25.6 | 0 | 0 | 0 | 115.4 | ||
| 754 | C | 25.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 146.2 | 169 | -77.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 755 | Q | 28.9 | Very low | 28.5 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 132.3 | -174.4 | -64.3 | 175.1 | -9.6 | 0 | 0 | 112.1 | ||
| 756 | T | 29 | Very low | 28.6 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 145.7 | 160.2 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | I758 | T756-I758 PolarHBondContact O-N 3.1Š|
| 757 | P | 30.9 | Very low | 28.5 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -73.4 | 100.2 | -178.8 | 28.5 | -34.1 | 0 | 0 | 0 | 111.4 | M759 | P757-M759 PolarHBondContact O-N 3.4Š| ||
| 758 | I | 27.4 | Very low | 28.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | -78.1 | 114.4 | 173.7 | -65.1 | 171.5 | 0 | 0 | 0 | 109.4 | T756 | T756-I758 PolarHBondContact O-N 3.1Š| ||
| 759 | M | 26.7 | Very low | 28.3 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 61% | 0.606 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 144.5 | 158.1 | -72.4 | -140.3 | 83.6 | 0 | 0 | 109.9 | P757 R761 Q1216 | P757-M759 PolarHBondContact O-N 3.4Å; M759-R761 PolarHBondContact O-N 3.39Å; M759-Q1216 PolarHBondContact SD-NE2 2.88Å; M759-Q1216 VanDerWaalsContact SD-NE2 3.41Å |
| 760 | P | 28.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118 | -154.2 | 26.4 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 761 | R | 25.9 | Very low | 28 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.1 | 157.3 | -81 | -177.2 | 168.3 | 161.2 | -1.7 | 109.3 | M759 | M759-R761 PolarHBondContact O-N 3.39Š|
| 762 | F | 27.5 | Very low | 27.9 | Very low | 118 Ų | 118 | 139 Ų | 139 | 52% | 0.518 | 78% | 0.776 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 139.9 | 159 | -85.5 | -123.2 | 0 | 0 | 0 | 109.4 | E558 R562 | E558-F762 VanDerWaalsContact OE1-CZ 3.29Å; E558-F762 WeakPolarHBondContact OE1-CZ 3.38Å; R562-F762 HydrophobicContact CG-CE1 3.54Å; R562-F762 HydrophobicContact CG-CZ 4.06Å; R562-F762 VanDerWaalsContact CZ-CZ 3.42Å; R562-F762 VanDerWaalsContact NH2-CE2 3.3Å |
| 763 | D | 26.7 | Very low | 27.8 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.6 | 172.5 | -69.1 | -63 | 0 | 0 | 0 | 112.5 | ||
| 764 | L | 28.7 | Very low | 27.9 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -126.1 | 108.1 | 151 | -79.8 | 176.4 | 0 | 0 | 0 | 108.5 | ||||
| 765 | V | 31.2 | Very low | 27.9 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 134.4 | -174.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 766 | P | 28.4 | Very low | 28 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 138.9 | -175.7 | 30.7 | -36 | 0 | 0 | 0 | 113 | ||
| 767 | M | 28.1 | Very low | 28.5 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 77% | 0.768 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 116.5 | 164.3 | -87.7 | -157.7 | 153.8 | 0 | 0 | 111.8 | T573 | T573-M767 HydrophobicContact CG2-CE 3.96Š|
| 768 | K | 25.2 | Very low | 28.5 | Very low | 205 Ų | 205 | 138 Ų | 138 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 126.6 | 155.4 | -83.5 | -179.9 | 173.5 | 175.1 | 0 | 109.1 | ||
| 769 | A | 28.9 | Very low | 28.6 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 112.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 770 | T | 25.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -111.4 | 113.9 | -175.9 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 771 | T | 28.6 | Very low | 28.8 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -152.4 | 114.5 | 150.5 | 43.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 772 | S | 25.3 | Very low | 29 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | 82.5 | 107 | 51.8 | -174.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 773 | S | 28.8 | Very low | 29.1 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -154.4 | 107.4 | 148.4 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 774 | K | 29.6 | Very low | 29.2 | Very low | 184 Ų | 184 | 132 Ų | 132 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 52.8 | 118.5 | 141.4 | -60.5 | 172.3 | -175.6 | 175.3 | 0 | 118.8 | ||||
| 775 | V | 26.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | cis | 66.7 | 133.9 | 32.6 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 776 | P | 30.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -132 | -179.6 | 26.4 | 20.3 | 6.4 | 0 | 0 | 0 | 118.3 | ||||
| 777 | P | 40.2 | Very low | 29.1 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -122.4 | -179.6 | 179.8 | 44.2 | -32 | 0 | 0 | 0 | 115.9 | ||||
| 778 | S | 29.7 | Very low | 29.1 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -170.5 | 145.9 | 162.8 | 55.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 779 | D | 29.3 | Very low | 29.4 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | cis | -163.2 | 152.3 | 1 | -126.2 | -40.5 | 0 | 0 | 0 | 111.8 | ||||
| 780 | Q | 30.5 | Very low | 29.4 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | trans | 49.9 | 148.2 | 150.8 | -74.2 | 159.4 | 67.5 | 0 | 0 | 121.2 | ||||
| 781 | S | 29.8 | Very low | 29.5 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | cis | -178.1 | 161.5 | 4.6 | 43.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 782 | S | 30.2 | Very low | 29.7 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | 179.2 | 162 | -14.5 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 783 | L | 29 | Very low | 29.9 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | 69.7 | 146 | 179.8 | -69.9 | 76.2 | 0 | 0 | 0 | 114.8 | ||||
| 784 | C | 28.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | cis | -171.5 | 165 | -10.6 | -100.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 785 | D | 30.5 | Very low | 30 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | cis | -160.7 | 143 | -15.8 | -113 | 17.9 | 0 | 0 | 0 | 107.6 | ||||
| 786 | R | 29.8 | Very low | 30.2 | Very low | 210 Ų | 210 | 120.1 Ų | 120.1 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | 62.8 | 148.6 | 99.6 | -58.8 | 176.7 | 88 | 164.4 | 4.8 | 117.7 | |||||
| 787 | S | 26.9 | Very low | 30.3 | Very low | 79 Ų | 79 | 119 Ų | 119 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | cis | 179.9 | 137.3 | -31.7 | 51.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 788 | D | 27.6 | Very low | 29.7 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | 69.7 | 139.1 | 142.8 | -51.4 | -21.4 | 0 | 0 | 0 | 125.2 | ||||
| 789 | T | 30.8 | Very low | 29.8 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | trans | 73.8 | 104.7 | 140.4 | 46.2 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 790 | W | 28.8 | Very low | 29.8 | Very low | 162 Ų | 162 | 121.1 Ų | 121.1 | 61% | 0.614 | 71% | 0.71 | S | S | * | * | 71.9 | 168.5 | 119.6 | -71.9 | 28 | 0 | 0 | 0 | 120.9 | P749 | P749-W790 HydrophobicContact CB-CD2 4.1Å; P749-W790 HydrophobicContact CB-CE3 3.55Å; P749-W790 HydrophobicContact CB-CH2 3.87Å; P749-W790 HydrophobicContact CB-CZ2 4.4Å; P749-W790 HydrophobicContact CB-CZ3 3.43Å; P749-W790 VanDerWaalsContact CB-CZ3 3.43Å; P749-W790 HydrophobicContact CG-CE3 4.47Å | |||
| 791 | S | 29 | Very low | 29.7 | Very low | 50 Ų | 50 | 120.4 Ų | 120.4 | 35% | 0.35 | 71% | 0.712 | S | S | . | * | trans | -95.9 | 157.6 | -140.8 | -147.4 | 0 | 0 | 0 | 0 | 120 | L747 L748 | L747-S791 VanDerWaalsContact O-CB 3.29Å; L747-S791 WeakPolarHBondContact O-CB 3.49Å; L747-S791 PolarHBondContact O-OG 2.86Å; L748-S791 WeakPolarHBondContact O-CB 3.32Å | ||
| 792 | V | 32.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | 5 | 134.8 | 142.3 | 179.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 793 | D | 29.8 | Very low | 29.6 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | -161 | 167.1 | 125.7 | -149.3 | -5.8 | 0 | 0 | 0 | 113.7 | |||||
| 794 | A | 33.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | trans | 73 | 133.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 795 | G | 27.2 | Very low | 29.6 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -154.3 | -176 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 796 | A | 30.2 | Very low | 29.5 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | -163.5 | 144.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 797 | S | 31.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 67.3 | 99 | 142 | -155.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 798 | D | 28.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | 73.1 | 113.7 | 115.5 | -50.1 | -37.3 | 0 | 0 | 0 | 124 | |||||
| 799 | S | 32.3 | Very low | 29.5 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 85.8 | 111.6 | 118.7 | -62.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 800 | E | 29.1 | Very low | 29.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 75.7 | 118.7 | 128.5 | -63.5 | -164.9 | 148.3 | 0 | 0 | 123.1 | |||||
| 801 | N | 28.5 | Very low | 29.1 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 86.5 | 144.8 | 138.7 | -69.8 | -32.2 | 0 | 0 | 0 | 123.1 | ||||
| 802 | E | 26.3 | Very low | 29 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 179.3 | 172.1 | -68.6 | -163.4 | 126.9 | 0 | 0 | 114.1 | ||||
| 803 | P | 31 | Very low | 28.5 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -129.1 | 177.3 | 1.5 | 23.4 | 0.9 | 0 | 0 | 0 | 115.1 | ||||
| 804 | G | 27.2 | Very low | 28.3 | Very low | 62 Ų | 62 | 144.3 Ų | 144.3 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -91.7 | 161.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 805 | I | 29.8 | Very low | 28 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 169.9 | 138.7 | 143.1 | -91.5 | 155.9 | 0 | 0 | 0 | 109.4 | Q807 | I805-Q807 HydrophobicContact CG2-CG 3.91Š| ||
| 806 | R | 27.8 | Very low | 28 | Very low | 253 Ų | 253 | 150 Ų | 150 | 96% | 0.955 | 77% | 0.769 | S | S | * | * | trans | -130 | 122.4 | 143.8 | -88.7 | -167.6 | 173.5 | -179.4 | -1 | 110.1 | ||||
| 807 | Q | 29.5 | Very low | 27.7 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | -61.9 | 169.8 | 170.4 | -68.9 | 175.2 | -74.7 | 0 | 0 | 112.2 | I805 | I805-Q807 HydrophobicContact CG2-CG 3.91Š| ||
| 808 | D | 27.2 | Very low | 27.4 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | cis | -166.2 | 156.2 | -15.8 | -100.5 | -31 | 0 | 0 | 0 | 105.3 | ||||
| 809 | E | 27.8 | Very low | 27.4 | Very low | 195 Ų | 195 | 154.8 Ų | 154.8 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | -175.6 | 172.7 | 127.6 | -104.7 | -172.9 | 160.7 | 0 | 0 | 113.9 | |||||
| 810 | R | 28.8 | Very low | 27.6 | Very low | 222 Ų | 222 | 154.8 Ų | 154.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -100.3 | 140.1 | -150.7 | -78.2 | 169.3 | 156.2 | 170 | -7.3 | 116.5 | ||||
| 811 | L | 23.2 | Very low | 27.5 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | 58 | 154.7 | 127.9 | -59 | 170.9 | 0 | 0 | 0 | 122.6 | |||||
| 812 | Q | 26.5 | Very low | 27.7 | Very low | 166 Ų | 166 | 150.4 Ų | 150.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 81.4 | 106.6 | 158.2 | -77 | 178.7 | -46.6 | 0 | 0 | 120.8 | ||||
| 813 | E | 22.4 | Very low | 27.9 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | 48.3 | 152.2 | 122.5 | -55.3 | -176.2 | 139 | 0 | 0 | 123.3 | |||||
| 814 | F | 26.5 | Very low | 27.8 | Very low | 167 Ų | 167 | 145 Ų | 145 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 87.5 | 117.1 | 164 | -73.2 | -84.3 | 0 | 0 | 0 | 121.4 | ||||
| 815 | E | 27 | Very low | 27.9 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | 52.1 | 100.1 | 137.8 | -69.7 | 177.2 | 148.3 | 0 | 0 | 121.5 | ||||
| 816 | N | 25.8 | Very low | 27.7 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 49.2 | 115.6 | 109.7 | -67.5 | 24.5 | 0 | 0 | 0 | 120.9 | |||||
| 817 | D | 24.9 | Very low | 28.3 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | 86.6 | 118.1 | 121.8 | -69.3 | -33.3 | 0 | 0 | 0 | 122.3 | |||||
| 818 | V | 25.4 | Very low | 28.8 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 60% | 0.6 | 75% | 0.752 | S | S | * | * | 74.7 | 126 | 128 | 172.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 819 | F | 27.5 | Very low | 28.9 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | -148.2 | 148.7 | 114.7 | -101 | -76.8 | 0 | 0 | 0 | 111 | |||||
| 820 | P | 38.2 | Very low | 29 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -129.2 | -141.5 | -161.1 | 44.7 | -27.8 | 0 | 0 | 0 | 113.3 | ||||
| 821 | S | 27 | Very low | 29 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 88.8 | 155.5 | 162.9 | 78.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 822 | V | 31.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | cis | -145.5 | 141.7 | 35.5 | 176.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 823 | S | 31.9 | Very low | 29.4 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 64.4 | 147.7 | 160.9 | 67.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 824 | G | 28.7 | Very low | 30 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | 170.5 | 173.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 825 | C | 28.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | cis | -170.9 | 124.5 | -12.6 | -100.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 826 | Q | 26.3 | Very low | 30.4 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | 58.2 | -174.3 | 143.1 | -67.8 | -170 | -25.8 | 0 | 0 | 120.8 | ||||
| 827 | P | 39.6 | Very low | 30.5 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | -120.7 | -143.4 | -63.4 | 40 | -24.4 | 0 | 0 | 0 | 110.2 | |||||
| 828 | P | 41.6 | Very low | 30.7 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | cis | -135.5 | -170.1 | -19.8 | 43.2 | -24.9 | 0 | 0 | 0 | 116 | ||||
| 829 | C | 29 | Very low | 30.8 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 68.9 | 145.2 | 154.3 | -67.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 830 | S | 28.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | -172.2 | 147.3 | -14.9 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 831 | S | 29.5 | Very low | 30.3 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 47.5 | 130.1 | 152.9 | 55 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 832 | I | 28.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | 108 | 124.9 | 27 | -71.9 | 167.9 | 0 | 0 | 0 | 113.6 | ||||
| 833 | Q | 28.6 | Very low | 30.7 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 68.3 | 133.4 | 163.1 | -78.5 | 166.1 | -21.3 | 0 | 0 | 121.7 | ||||
| 834 | P | 35 | Very low | 30.6 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -118.6 | 166.8 | 162.6 | 40.5 | -30 | 0 | 0 | 0 | 114 | ||||
| 835 | N | 31.1 | Very low | 30.5 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -157.6 | 152.1 | 171.5 | -123.3 | -2.1 | 0 | 0 | 0 | 113.4 | ||||
| 836 | S | 30.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 53.8 | 95.8 | 161 | 58.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 837 | E | 29.1 | Very low | 30.5 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | 37.8 | 124.8 | 125.3 | -57.7 | -174.6 | 133.5 | 0 | 0 | 124.3 | |||||
| 838 | E | 28.4 | Very low | 29.7 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | -170.3 | 134.3 | 110.8 | -103 | -173.4 | -179.2 | 0 | 0 | 109 | |||||
| 839 | G | 26.8 | Very low | 29.1 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | -167.8 | -174.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 840 | Y | 27.6 | Very low | 29 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | 81.5 | 62.5 | 177.1 | -74.1 | -81.5 | 0 | 0 | 0 | 121 | ||||
| 841 | Q | 28.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | 27.1 | 162.1 | 112.2 | -67.7 | -164.3 | -6.7 | 0 | 0 | 123.1 | |||||
| 842 | P | 40.1 | Very low | 28.8 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -143.5 | -169.1 | -35.6 | 40.4 | -20.7 | 0 | 0 | 0 | 115.6 | ||||
| 843 | E | 27.3 | Very low | 28.7 | Very low | 175 Ų | 175 | 153.7 Ų | 153.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 149.5 | 166.7 | -62.2 | -174.8 | -163.4 | 0 | 0 | 119.8 | ||||
| 844 | T | 29.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 151 Ų | 151 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | cis | -160.1 | 149.4 | -21.1 | 31 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 845 | T | 26.3 | Very low | 28.8 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | trans | 63.1 | 153.2 | 162.4 | 56.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 846 | A | 28.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 153 Ų | 153 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | cis | -163.6 | 156.9 | -23.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 847 | A | 25.8 | Very low | 28.2 | Very low | 74 Ų | 74 | 157.3 Ų | 157.3 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | trans | -30.9 | 169.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 848 | W | 24.8 | Very low | 28.2 | Very low | 244 Ų | 244 | 155.8 Ų | 155.8 | 92% | 0.924 | 77% | 0.766 | S | S | * | * | cis | -164.8 | 165 | -9.7 | -92.1 | -30.5 | 0 | 0 | 0 | 107.8 | ||||
| 849 | E | 26.9 | Very low | 28.2 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 59% | 0.589 | 75% | 0.751 | S | S | * | * | cis | 101.8 | 88.1 | 22.6 | -84.3 | -86.9 | 119.1 | 0 | 0 | 118.7 | ||||
| 850 | R | 27.5 | Very low | 28.2 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 131.3 | 134.9 | -68.7 | -174.1 | -166.3 | 167.4 | 22.9 | 126.2 | ||||
| 851 | R | 26.3 | Very low | 28.3 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 73% | 0.725 | 76% | 0.756 | S | S | * | * | 78.7 | 134.9 | 124.6 | -77.9 | -179.5 | 170.9 | -172.9 | -2.7 | 124.6 | |||||
| 852 | K | 28.2 | Very low | 28.2 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 73% | 0.726 | 76% | 0.756 | S | S | * | * | trans | 83 | 135.4 | 132.3 | -83.3 | -175.5 | 175.7 | -173.6 | 0 | 122.8 | ||||
| 853 | K | 27.2 | Very low | 27.5 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 145.8 | 150.1 | -77.4 | -168.1 | 170 | -167.5 | 0 | 119.6 | ||||
| 854 | P | 39.7 | Very low | 27.4 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -100.6 | 156.2 | 171 | 38.8 | -33.5 | 0 | 0 | 0 | 113.5 | ||||
| 855 | M | 25.4 | Very low | 27.2 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | 158.9 | 129.1 | 129.1 | 179.7 | 158.4 | 69.3 | 0 | 0 | 112.4 | |||||
| 856 | Q | 24.9 | Very low | 27.1 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 149.1 | 172.1 | -70 | -179.7 | 21.9 | 0 | 0 | 116.3 | ||||
| 857 | R | 25 | Very low | 27 | Very low | 190 Ų | 190 | 146 Ų | 146 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | cis | -158.8 | 148 | -10.5 | -133.2 | -175.3 | -179.8 | -152.4 | 5.8 | 109 | ||||
| 858 | Q | 28.4 | Very low | 27.3 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 63.8 | 158.5 | 161 | -66.9 | 167.6 | -67.2 | 0 | 0 | 117.3 | ||||
| 859 | S | 27.3 | Very low | 27.8 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -172.5 | 136.6 | -38.2 | 51 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 860 | S | 28.5 | Very low | 28.1 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 92% | 0.923 | 75% | 0.748 | S | S | * | * | trans | 58.5 | 164.6 | 174.1 | 51.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 861 | G | 28 | Very low | 28.3 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -164.1 | -177.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 862 | S | 26.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -104.2 | 160.4 | -166.7 | 56.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 863 | S | 26.5 | Very low | 28.8 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 103.8 | 124.1 | 140.2 | -157.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 864 | F | 25.1 | Very low | 29 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | trans | 55.6 | 131.6 | 141.2 | -87.6 | -107.9 | 0 | 0 | 0 | 124.2 | ||||
| 865 | H | 24.7 | Very low | 28.8 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 56.1 | 152.2 | 147.7 | -82.6 | -41.8 | 0 | 0 | 0 | 120.7 | ||||
| 866 | S | 25.1 | Very low | 29 | Very low | 72 Ų | 72 | 128 Ų | 128 | 50% | 0.503 | 75% | 0.748 | S | S | . | * | cis | -164 | 169.3 | -18.7 | -129.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 867 | E | 25.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 44.9 | 129.9 | 161.3 | -73.7 | 110.7 | -108.2 | 0 | 0 | 121.2 | ||||
| 868 | V | 32.3 | Very low | 29.8 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | 78 | 121.8 | 51.8 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 869 | P | 36.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | -152.5 | 159.7 | 102.4 | 40.6 | -22.2 | 0 | 0 | 0 | 119 | |||||
| 870 | D | 31.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | 57.4 | 151.1 | 147 | -49.2 | -18.3 | 0 | 0 | 0 | 121.7 | ||||
| 871 | D | 32.4 | Very low | 30.4 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | cis | -150.2 | 141 | 0.8 | -141.2 | -24.6 | 0 | 0 | 0 | 107.9 | ||||
| 872 | G | 31.6 | Very low | 30.5 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 95.8 | 141 | 81.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 873 | S | 33 | Very low | 30.6 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | cis | -165.5 | 172.8 | -10.7 | 68 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 874 | L | 32.5 | Very low | 30.7 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 171.3 | 107.7 | 136.4 | -93.1 | 171.8 | 0 | 0 | 0 | 113.7 | ||||
| 875 | L | 34.4 | Very low | 30.9 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 55.4 | 135.3 | 147.9 | -49.5 | 177.1 | 0 | 0 | 0 | 121.6 | ||||
| 876 | G | 30.8 | Very low | 31.1 | Very low | 61 Ų | 61 | 116.1 Ų | 116.1 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | cis | 167.9 | 162.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 877 | N | 32.3 | Very low | 31.2 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 140.5 | 163.4 | -66.3 | 52.6 | 0 | 0 | 0 | 117.9 | ||||
| 878 | D | 32.8 | Very low | 31.3 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | cis | -158.1 | 138.4 | 0.6 | -108.2 | -29.7 | 0 | 0 | 0 | 113.4 | ||||
| 879 | N | 32.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | trans | 58.8 | 150.8 | 137.2 | -63.4 | -33.1 | 0 | 0 | 0 | 122.4 | ||||
| 880 | L | 31.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | cis | -164.6 | 150.1 | 0.7 | -119.1 | 167.5 | 0 | 0 | 0 | 112.4 | ||||
| 881 | V | 34.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 63.9 | 138 | 163.4 | -167.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 882 | G | 29.2 | Very low | 30.5 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | cis | 149.3 | 112.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 883 | G | 29 | Very low | 30.2 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 78.1 | 161.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 884 | S | 28.9 | Very low | 30 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -164.6 | 144.7 | -15.8 | -174.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 885 | S | 29.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 53.9 | 120.6 | 145.5 | 59.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 886 | S | 28.9 | Very low | 29.4 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | 85 | 89.2 | 122.2 | -166.9 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 887 | W | 26.5 | Very low | 29.2 | Very low | 226 Ų | 226 | 133.8 Ų | 133.8 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | 60.9 | 126.6 | 119.4 | -75 | 37.4 | 0 | 0 | 0 | 123.5 | |||||
| 888 | K | 28.5 | Very low | 29.1 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 98.1 | 125.8 | 138.2 | -82.2 | -172.9 | 169.2 | -167.2 | 0 | 123.9 | ||||
| 889 | D | 28.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 134 Ų | 134 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | trans | 74.4 | 102.3 | 140.2 | -69.6 | -52.7 | 0 | 0 | 0 | 124 | ||||
| 890 | R | 28.8 | Very low | 28.9 | Very low | 223 Ų | 223 | 134.9 Ų | 134.9 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | 56.8 | 108.1 | 132.2 | -74.6 | -179.9 | 160.9 | -176 | -3.9 | 122.4 | ||||
| 891 | N | 26.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 46 | 101.3 | 123.8 | -63.5 | 7.8 | 0 | 0 | 0 | 120.8 | |||||
| 892 | Q | 29.9 | Very low | 28.7 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | 177.2 | 148.5 | 99.3 | -96.4 | 175.2 | 2.7 | 0 | 0 | 114.2 | |||||
| 893 | T | 25.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -10.3 | 141.5 | 160.2 | 56.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 894 | T | 28.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | -157.7 | 177.3 | 52.8 | 47.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 895 | S | 26.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -67.5 | -178.7 | -179.9 | 59.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 896 | S | 27.8 | Very low | 28.4 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -170.1 | 156.4 | 26.5 | -14.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 897 | L | 26 | Very low | 28.2 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | 64.6 | 158.6 | 145.9 | -66.9 | 164.9 | 0 | 0 | 0 | 118.8 | ||||
| 898 | S | 30.6 | Very low | 28 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | -139 | 151.3 | -2.5 | 52.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 899 | Q | 33 | Very low | 27.8 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | -174.8 | 170.8 | 71.5 | -75.8 | -174.1 | 12.9 | 0 | 0 | 107.6 | |||||
| 900 | L | 27.7 | Very low | 27.9 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -171.1 | 161.7 | -20.5 | -96.4 | 169.3 | 0 | 0 | 0 | 105.3 | ||||
| 901 | P | 31.1 | Very low | 27.7 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -128.2 | 167.6 | -20.9 | 39 | -24.3 | 0 | 0 | 0 | 114.3 | ||||
| 902 | S | 31.8 | Very low | 27.6 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 52.1 | 134 | 149.5 | 55.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 903 | S | 30.6 | Very low | 27.3 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -162.9 | 137.5 | -12.5 | -67.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 904 | F | 24.9 | Very low | 27.4 | Very low | 191 Ų | 191 | 131.8 Ų | 131.8 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | 52.2 | 135.3 | 60.9 | -82.5 | -70 | 0 | 0 | 0 | 114.2 | |||||
| 905 | R | 28 | Very low | 27.3 | Very low | 227 Ų | 227 | 130 Ų | 130 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | cis | -153.2 | -179.7 | 7 | -164.6 | 160.2 | -167.6 | -166.8 | 5.1 | 111.1 | ||||
| 906 | S | 24.7 | Very low | 27.2 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | trans | -110.8 | 167.7 | -168.8 | 53.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 907 | Y | 25.2 | Very low | 27.3 | Very low | 220 Ų | 220 | 131.6 Ų | 131.6 | 86% | 0.863 | 75% | 0.754 | S | S | * | * | trans | 90.5 | 147.7 | 151.3 | -68.4 | -58.3 | 0 | 0 | 0 | 122.5 | ||||
| 908 | L | 23 | Very low | 27.2 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 88% | 0.88 | 74% | 0.741 | S | S | * | * | trans | 96.6 | 151.4 | 161.3 | -66.3 | 166.4 | 0 | 0 | 0 | 120.7 | ||||
| 909 | S | 24 | Very low | 27.2 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -68.5 | -178.1 | -173.9 | -39.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 910 | P | 30.6 | Very low | 26.9 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | cis | -136.4 | 171.1 | -31.8 | 31.3 | -11.7 | 0 | 0 | 0 | 115.1 | ||||
| 911 | S | 24.5 | Very low | 26.8 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 36.6 | 141.1 | 141.3 | 71.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 912 | L | 24.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | 77.2 | 116 | 164.5 | -54.3 | 167.5 | 0 | 0 | 0 | 114.7 | ||||
| 913 | S | 24.4 | Very low | 26.1 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | 76.4 | 141.8 | 47.8 | 82.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 914 | S | 27.1 | Very low | 25.8 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | cis | -179.5 | 142.8 | -9.2 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 915 | A | 27.1 | Very low | 25.6 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -168.1 | 151.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 916 | S | 25.1 | Very low | 25.5 | Very low | 107 Ų | 107 | 114.3 Ų | 114.3 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -166.9 | 171.4 | -17.1 | 50 | 0 | 0 | 0 | 0 | 106 | ||||
| 917 | V | 30.2 | Very low | 25.4 | Very low | 120 Ų | 120 | 119 Ų | 119 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | -160.9 | 129.7 | 58.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 918 | T | 23.8 | Very low | 25.3 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -20.2 | 160.3 | 151.7 | 42.6 | 0 | 0 | 0 | 0 | 118.8 | T920 | T918-T920 HydrophobicContact CG2-CG2 4.19Š| ||
| 919 | P | 30.9 | Very low | 25.4 | Very low | 116 Ų | 116 | 109 Ų | 109 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | cis | -134.4 | 152.4 | 37.9 | 40 | -21.7 | 0 | 0 | 0 | 115.6 | ||||
| 920 | T | 25.1 | Very low | 25.3 | Very low | 120 Ų | 120 | 110 Ų | 110 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | 59.5 | 135.2 | 53.3 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | T918 | T918-T920 HydrophobicContact CG2-CG2 4.19Š| |||
| 921 | A | 25.5 | Very low | 25.2 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | cis | -166.6 | -172.3 | -16.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 922 | A | 24.2 | Very low | 25 | Very low | 92 Ų | 92 | 111 Ų | 111 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | cis | -161.4 | 175.2 | 6.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 923 | A | 24.1 | Very low | 25 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | 69.8 | 160 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 924 | A | 25.4 | Very low | 24.9 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -142.4 | -171.7 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 925 | S | 21.3 | Very low | 24.9 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -59.4 | 170.6 | 168.5 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 926 | T | 25.4 | Very low | 24.6 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | -176.9 | 159.7 | 76.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 927 | E | 21.2 | Very low | 24.6 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -23.5 | 159.4 | 166 | -54.1 | 138.7 | -162.6 | 0 | 0 | 117.2 | ||||
| 928 | A | 24.8 | Very low | 24.3 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | 173.5 | 169 | 63.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 929 | S | 24.5 | Very low | 24.6 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | 38.5 | 108.3 | 150.3 | 58.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 930 | T | 22.6 | Very low | 24.3 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | 59.4 | 116.7 | 74.9 | 67.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 931 | V | 26.8 | Very low | 24.3 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | -126.7 | 115.8 | 129.4 | 176.6 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 932 | S | 21.7 | Very low | 24.3 | Very low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -90.4 | 153.5 | 169.7 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 933 | F | 24 | Very low | 24.3 | Very low | 207 Ų | 207 | 136 Ų | 136 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | trans | -126.5 | 120.6 | 146.3 | -113.6 | -85.1 | 0 | 0 | 0 | 108.7 | ||||
| 934 | H | 22.7 | Very low | 24.4 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | trans | -94.2 | 128.3 | 177.5 | -106 | -94.4 | 0 | 0 | 0 | 109.6 | ||||
| 935 | V | 26 | Very low | 24.4 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | -137.9 | 133.3 | 137.2 | -177.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 936 | L | 22.1 | Very low | 24.7 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -130.4 | 137.7 | 174.5 | -77.4 | 171.1 | 0 | 0 | 0 | 107.8 | ||||
| 937 | E | 24.5 | Very low | 24.7 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | -166.9 | 176.9 | 118.1 | -105.7 | 169.3 | 170.7 | 0 | 0 | 110.8 | |||||
| 938 | E | 24 | Very low | 25.1 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | 56.3 | 77.9 | 176.4 | -59.2 | -161.9 | 155.5 | 0 | 0 | 118.7 | ||||
| 939 | R | 29.7 | Very low | 25.1 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 53% | 0.528 | 78% | 0.777 | S | S | . | * | trans | -152 | 96.4 | 145 | -81.7 | -151.5 | -171.9 | -158.2 | 7.8 | 113.2 | E941 | R939-E941 PolarHBondContact O-N 3.34Š| ||
| 940 | E | 24.4 | Very low | 25.2 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -82.1 | 47.9 | 153.1 | -72.3 | -148.1 | 122.7 | 0 | 0 | 111.5 | ||
| 941 | E | 25.8 | Very low | 25.5 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -149.6 | 34 | 177.9 | -145.3 | -176.4 | -138.1 | 0 | 0 | 113.6 | R939 | R939-E941 PolarHBondContact O-N 3.34Š| ||
| 942 | L | 26 | Very low | 25.4 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 93.9 | 170.2 | -78 | -178.2 | 0 | 0 | 0 | 112.3 | ||||
| 943 | S | 23.2 | Very low | 25.6 | Very low | 113 Ų | 113 | 158.7 Ų | 158.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -112.3 | 146.2 | 149.4 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 944 | M | 25.7 | Very low | 25.7 | Very low | 176 Ų | 176 | 160.5 Ų | 160.5 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 67.1 | 75.5 | -179.3 | -51.4 | -169.7 | 72.9 | 0 | 0 | 117.5 | ||||
| 945 | M | 25.4 | Very low | 26 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -146.6 | 82.3 | 133.8 | -97.3 | -158.8 | 75.5 | 0 | 0 | 111.5 | ||||
| 946 | L | 28 | Very low | 26 | Very low | 170 Ų | 170 | 156.7 Ų | 156.7 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -127.6 | 108.4 | 156.4 | -96.9 | 170.1 | 0 | 0 | 0 | 107.7 | ||||
| 947 | Q | 26.1 | Very low | 26.2 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -98.9 | 145.2 | 163 | -68.6 | -174.3 | -1.7 | 0 | 0 | 108.5 | ||||
| 948 | P | 28.7 | Very low | 26.4 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -109.2 | 164 | 125.6 | 32 | -33.3 | 0 | 0 | 0 | 111.1 | |||||
| 949 | S | 25.4 | Very low | 26.5 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -90.6 | 171 | -164.5 | 49.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 950 | N | 26.5 | Very low | 26.4 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 68.7 | 95.2 | 161.1 | -62.8 | -19 | 0 | 0 | 0 | 119.4 | ||||
| 951 | S | 29.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | -154.5 | 153.8 | 119.8 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 952 | R | 24.4 | Very low | 26.6 | Very low | 226 Ų | 226 | 142.8 Ų | 142.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -98.6 | 152.9 | -179.4 | -72.1 | 176.2 | 172.4 | 160.4 | -3.5 | 111.3 | ||||
| 953 | H | 26.6 | Very low | 26.6 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 83.1 | 144.2 | 163.7 | -56.9 | -64.4 | 0 | 0 | 0 | 120.6 | ||||
| 954 | R | 24.8 | Very low | 26.7 | Very low | 244 Ų | 244 | 144.9 Ų | 144.9 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | 70.2 | 79.5 | 162.3 | -63.3 | -178.4 | -177.5 | -164.1 | 0.6 | 119 | ||||
| 955 | S | 29.4 | Very low | 26.7 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | -153.8 | 62.3 | 128.2 | -160.1 | 0 | 0 | 0 | 0 | 113.4 | N957 | S955-N957 VanDerWaalsContact C-N 3.34Å; S955-N957 PolarHBondContact O-N 3.49Å | |||
| 956 | A | 26.5 | Very low | 26.7 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -89 | 73.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 957 | N | 26.9 | Very low | 26.5 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -177.5 | 67.3 | 166 | -96.5 | -28.9 | 0 | 0 | 0 | 112.3 | S955 | S955-N957 VanDerWaalsContact C-N 3.34Å; S955-N957 PolarHBondContact O-N 3.49Å |
| 958 | F | 28 | Very low | 26.9 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -147.4 | -43.9 | 161.8 | -143.6 | -106.8 | 0 | 0 | 0 | 113.5 | A960 A961 | F958-A960 PolarHBondContact O-N 3.18Å; F958-A961 WeakPolarHBondContact O-CB 3.34Å; F958-A961 PolarHBondContact O-N 3.13Å; F958-A961 VanDerWaalsContact O-N 3.09Å |
| 959 | A | 27 | Very low | 26.6 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -57.6 | -34.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A961 | A959-A961 PolarHBondContact O-N 3.45Å; A959-A961 VanDerWaalsContact O-N 3.08Å |
| 960 | A | 26.8 | Very low | 26.8 | Very low | 61 Ų | 61 | 143.9 Ų | 143.9 | 50% | 0.504 | 78% | 0.776 | S | S | . | * | G | 310 helix | trans | -68.9 | -1.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F958 | F958-A960 PolarHBondContact O-N 3.18Š|
| 961 | A | 27 | Very low | 26.6 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 56% | 0.562 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -95 | -21.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F958 A959 | F958-A961 WeakPolarHBondContact O-CB 3.34Å; F958-A961 PolarHBondContact O-N 3.13Å; F958-A961 VanDerWaalsContact O-N 3.09Å; A959-A961 PolarHBondContact O-N 3.45Å; A959-A961 VanDerWaalsContact O-N 3.08Å |
| 962 | M | 26.9 | Very low | 26.4 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -41.4 | 173.5 | -79.2 | -174.9 | 168.4 | 0 | 0 | 112.2 | R964 K965 | M962-R964 PolarHBondContact O-N 3.03Å; M962-K965 PolarHBondContact O-N 3.46Å |
| 963 | A | 25.8 | Very low | 26.5 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 12.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 964 | R | 26.4 | Very low | 26.4 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 32.3 | 178.4 | -66.8 | -173.1 | 178.6 | 155.6 | 2.5 | 113.6 | M962 | M962-R964 PolarHBondContact O-N 3.03Š|
| 965 | K | 25.2 | Very low | 26.5 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -136.3 | 73.6 | 170 | -80.9 | -170.7 | 176 | 179.9 | 0 | 111.7 | M962 | M962-K965 PolarHBondContact O-N 3.46Š| ||
| 966 | L | 24.9 | Very low | 26.3 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | 171 | 123.2 | 167.3 | -94.4 | 156.7 | 0 | 0 | 0 | 102.5 | ||||
| 967 | T | 24.6 | Very low | 26.3 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | cis | -139.5 | -168.5 | 10.9 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 968 | P | 34.5 | Very low | 26.2 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -121.8 | 151.7 | -18.7 | 35.8 | -21.9 | 0 | 0 | 0 | 113.7 | ||||
| 969 | H | 23 | Very low | 26.3 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | trans | -166.1 | 147.9 | 142.7 | -117.9 | -63.5 | 0 | 0 | 0 | 111 | ||||
| 970 | V | 28 | Very low | 26.2 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | 72.7 | 81.7 | 176.8 | -166.4 | 0 | 0 | 0 | 0 | 114.8 | R972 | V970-R972 HydrophobicContact CG1-CB 4.42Å; V970-R972 PolarHBondContact O-N 3.16Å | ||
| 971 | S | 23.5 | Very low | 26.1 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -60 | 116.7 | 146.2 | 12.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 972 | R | 24.8 | Very low | 25.9 | Very low | 232 Ų | 232 | 134.9 Ų | 134.9 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | trans | 174.1 | 95.1 | 159.4 | -101.7 | 169.3 | -175.9 | -172.3 | 1.8 | 109.8 | V970 | V970-R972 HydrophobicContact CG1-CB 4.42Å; V970-R972 PolarHBondContact O-N 3.16Å | ||
| 973 | V | 26.5 | Very low | 25.9 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | -162.6 | 94.5 | 107.3 | 170.6 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 974 | I | 23.8 | Very low | 25.8 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 45% | 0.451 | 73% | 0.728 | S | S | . | * | trans | -108.8 | 125.4 | 146.9 | -65.9 | 177.2 | 0 | 0 | 0 | 104.2 | M976 F1464 I1467 | I974-M976 HydrophobicContact CG2-CB 4.29Å; I974-M976 HydrophobicContact CG2-CG 4.21Å; I974-F1464 HydrophobicContact CD1-CE2 4.44Å; I974-I1467 HydrophobicContact CD1-CG2 3.8Å | ||
| 975 | S | 27.1 | Very low | 26.4 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -140 | 73.4 | 167.3 | -165.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 976 | M | 25.3 | Very low | 27 | Very low | 59 Ų | 59 | 126.2 Ų | 126.2 | 29% | 0.291 | 72% | 0.72 | S | S | . | * | trans | -84.3 | 151.9 | 176.4 | -87.3 | -113.4 | 50.7 | 0 | 0 | 110.9 | I974 K1358 A1361 | I974-M976 HydrophobicContact CG2-CB 4.29Å; I974-M976 HydrophobicContact CG2-CG 4.21Å; M976-K1358 WeakPolarHBondContact CB-O 3.23Å; M976-K1358 WeakPolarHBondContact CE-O 3.43Å; M976-A1361 HydrophobicContact CE-CB 3.38Å; M976-A1361 HydrophobicContact SD-CB 3.67Å | ||
| 977 | K | 26.6 | Very low | 27 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | trans | -52.9 | 144.3 | -173.6 | -60.2 | 159.8 | 179.4 | 167 | 0 | 113.4 | ||||
| 978 | A | 25.6 | Very low | 27.2 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -125.6 | 138 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 979 | P | 30.1 | Very low | 26.6 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -120.7 | 171.4 | -162 | 42.7 | -33.2 | 0 | 0 | 0 | 116.6 | ||||
| 980 | S | 23.9 | Very low | 27.4 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | 103 | 146.9 | 137.6 | 80.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 981 | F | 25.4 | Very low | 27.5 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | 64.2 | 94.8 | 163.8 | -64 | -69.5 | 0 | 0 | 0 | 123.3 | ||||
| 982 | S | 22.4 | Very low | 27.7 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | 57.7 | 114.1 | 110.8 | -164.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 983 | L | 26.6 | Very low | 27.9 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | -171.6 | 158.6 | 119.9 | -101.3 | 162.8 | 0 | 0 | 0 | 111.1 | |||||
| 984 | S | 23.4 | Very low | 27.9 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 54% | 0.538 | 72% | 0.722 | S | S | . | * | trans | -173.9 | 169.2 | -175.4 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 985 | P | 40.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | cis | -108.5 | -103.2 | -10.5 | 28.4 | -7.1 | 0 | 0 | 0 | 111.4 | ||||
| 986 | P | 36.5 | Very low | 28 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | cis | -123.8 | -142.2 | -2.4 | 45.3 | -27.7 | 0 | 0 | 0 | 114.8 | ||||
| 987 | Y | 26.1 | Very low | 27.9 | Very low | 217 Ų | 217 | 135.3 Ų | 135.3 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -32.3 | 148.2 | 178.1 | -66.4 | -77.6 | 0 | 0 | 0 | 119.1 | ||||
| 988 | E | 27.3 | Very low | 27.9 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | cis | -151 | -168 | 41.6 | -144 | 169.2 | -139.1 | 0 | 0 | 114.6 | ||||
| 989 | S | 23.5 | Very low | 27.9 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -163.7 | -173.1 | -174.9 | 75.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 990 | P | 38.7 | Very low | 27.8 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | cis | -130.7 | -176.4 | -28.5 | 40.4 | -25.3 | 0 | 0 | 0 | 113 | ||||
| 991 | R | 30 | Very low | 27.8 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -172.8 | 156.9 | 141.2 | -110.1 | 173 | -172.6 | -175.2 | 4.8 | 117.7 | ||||
| 992 | D | 28.3 | Very low | 27.9 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 179.5 | -173.5 | -45.9 | -77.1 | 0 | 0 | 0 | 118.4 | ||||
| 993 | G | 28.4 | Very low | 28.1 | Very low | 76 Ų | 76 | 150.3 Ų | 150.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 163.1 | 12 | 145 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 994 | L | 26.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -1.3 | 150.2 | 163.9 | -100.8 | 167.5 | 0 | 0 | 0 | 123.3 | ||||
| 995 | L | 25.2 | Very low | 28.3 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 80.3 | 154 | 162.6 | -59.1 | 157.7 | 0 | 0 | 0 | 117.2 | ||||
| 996 | K | 28 | Very low | 27.8 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | cis | -126.6 | 143.3 | 3.5 | -87.6 | 99.8 | 175.9 | -176.2 | 0 | 108.7 | ||||
| 997 | S | 24.4 | Very low | 27.4 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | 73.7 | 118.1 | 50.6 | 90.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 998 | L | 26.9 | Very low | 27.3 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -150 | 148 | 144.7 | -111.8 | 173.1 | 0 | 0 | 0 | 110 | ||||
| 999 | K | 24.4 | Very low | 27.4 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 154.4 | -179.9 | -61.9 | 173.2 | 178.6 | 174.4 | 0 | 108.7 | ||||
| 1000 | F | 28.1 | Very low | 27.4 | Very low | 211 Ų | 211 | 150 Ų | 150 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | -163.3 | 175.1 | 127.3 | -116.5 | -78.2 | 0 | 0 | 0 | 111.7 | |||||
| 1001 | R | 23.6 | Very low | 26.8 | Very low | 236 Ų | 236 | 148.6 Ų | 148.6 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -154.3 | 120.9 | -163.2 | 168.6 | -166.7 | -176.6 | -177.6 | 3.4 | 110.6 | ||||
| 1002 | A | 27.3 | Very low | 26.5 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -171.2 | 121.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1003 | L | 27.1 | Very low | 26.5 | Very low | 147 Ų | 147 | 143 Ų | 143 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 60.7 | 125.3 | 130.1 | -61.8 | 171.6 | 0 | 0 | 0 | 124.2 | ||||
| 1004 | R | 27.7 | Very low | 26.4 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | 58.5 | 135.2 | 146.4 | -56 | 174.4 | -175.4 | -170.5 | 1.3 | 117.5 | ||||
| 1005 | G | 26.7 | Very low | 26.6 | Very low | 70 Ų | 70 | 145 Ų | 145 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | -177.3 | 178.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1006 | S | 28.5 | Very low | 26.7 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | cis | -161.4 | 171.4 | 10.4 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1007 | S | 29.1 | Very low | 26.8 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 59.8 | 107.8 | 170.3 | 35.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1008 | S | 24.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | 69.2 | 128.2 | 80.6 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1009 | L | 28.1 | Very low | 26.8 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | cis | -145.2 | -174 | 47.5 | -80.8 | 161.9 | 0 | 0 | 0 | 114.5 | ||||
| 1010 | H | 24.2 | Very low | 26.9 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | -46.8 | 162.9 | 172.3 | -63.5 | -99.6 | 0 | 0 | 0 | 114.3 | ||||
| 1011 | A | 25.3 | Very low | 26.8 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -159.3 | 172.1 | 37.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1012 | D | 23.6 | Very low | 26.9 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 48.8 | 123.8 | 149.5 | -51.6 | -19 | 0 | 0 | 0 | 123.3 | ||||
| 1013 | S | 28.8 | Very low | 26.7 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | -172.7 | 96 | 129.9 | 22.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1014 | S | 27 | Very low | 26.7 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -128.3 | 102.8 | 167.7 | 54.4 | 0 | 0 | 0 | 0 | 109 | S1016 | S1014-S1016 PolarHBondContact O-N 2.88Š| ||
| 1015 | N | 30.2 | Very low | 26.5 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -65.8 | 130.9 | 177.8 | -78.7 | -5.9 | 0 | 0 | 0 | 110.3 | ||||
| 1016 | S | 27.1 | Very low | 26.5 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -85.6 | 134.7 | 172.2 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | S1014 | S1014-S1016 PolarHBondContact O-N 2.88Š| ||
| 1017 | Y | 29.8 | Very low | 26.4 | Very low | 220 Ų | 220 | 143.8 Ų | 143.8 | 86% | 0.863 | 77% | 0.773 | S | S | * | * | trans | -105.1 | 132.8 | 160.5 | -99.1 | -94.8 | 0 | 0 | 0 | 107.9 | ||||
| 1018 | M | 24.3 | Very low | 26.3 | Very low | 175 Ų | 175 | 146 Ų | 146 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | -72.9 | 139.4 | 170 | -72.6 | -99 | -73 | 0 | 0 | 109.6 | ||||
| 1019 | H | 27.2 | Very low | 26.4 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | trans | -141.9 | 144.1 | 158.8 | -118.4 | -84 | 0 | 0 | 0 | 109 | ||||
| 1020 | I | 26.5 | Very low | 26.4 | Very low | 86 Ų | 86 | 148 Ų | 148 | 44% | 0.441 | 78% | 0.782 | S | S | . | * | trans | -83.2 | 151.8 | -173.6 | -57.8 | 157.8 | 0 | 0 | 0 | 109.4 | T721 | T721-I1020 VanDerWaalsContact OG1-CB 3.32Å; T721-I1020 WeakPolarHBondContact OG1-CB 3.42Å; T721-I1020 VanDerWaalsContact OG1-CG2 3.25Å; T721-I1020 WeakPolarHBondContact OG1-CG2 3.41Å | ||
| 1021 | Y | 25.5 | Very low | 26.4 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 149.6 | -175.4 | -68.6 | -85 | 0 | 0 | 0 | 113.6 | T721 | T721-Y1021 PolarHBondContact OG1-O 3.22Š| ||
| 1022 | F | 25.6 | Very low | 26.5 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | trans | -139.4 | 142.9 | 150.7 | -130.6 | -88.9 | 0 | 0 | 0 | 108.6 | W719 S720 T721 E1024 | W719-F1022 HydrophobicContact CE3-CB 4.22Å; W719-F1022 HydrophobicContact CH2-CB 3.85Å; W719-F1022 HydrophobicContact CZ2-CB 4.47Å; W719-F1022 HydrophobicContact CZ3-CB 3.71Å; S720-F1022 WeakPolarHBondContact OG-CD2 3.34Å; T721-F1022 HydrophobicContact CG2-CD2 3.65Å; T721-F1022 HydrophobicContact CG2-CE2 3.59Å; F1022-E1024 PolarHBondContact O-N 3.45Å | ||
| 1023 | F | 23.8 | Very low | 26.6 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | trans | -79.1 | 116.9 | 179.3 | -108.9 | -102.9 | 0 | 0 | 0 | 110.8 | ||||
| 1024 | E | 26.6 | Very low | 26.5 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | -163.8 | 158.4 | 128.9 | -118.9 | -176.5 | 179.3 | 0 | 0 | 112.1 | F1022 | F1022-E1024 PolarHBondContact O-N 3.45Š| |||
| 1025 | G | 24.6 | Very low | 26.4 | Very low | 75 Ų | 75 | 151.5 Ų | 151.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -78.9 | 149.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1026 | K | 27.2 | Very low | 26.1 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -127.5 | 108 | 162.2 | -80.5 | -179 | 178.5 | 165.8 | 0 | 111.6 | L1028 | K1026-L1028 PolarHBondContact O-N 3.19Š| ||
| 1027 | V | 25.1 | Very low | 26.1 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.2 | 161.4 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1028 | L | 26.5 | Very low | 25.8 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 120.4 | 172 | -78.7 | 175.2 | 0 | 0 | 0 | 110.4 | K1026 | K1026-L1028 PolarHBondContact O-N 3.19Š|
| 1029 | P | 27.4 | Very low | 26 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 131.3 | 173.4 | 32 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 1030 | M | 27.6 | Very low | 25.8 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 123.1 | 165.7 | -98.3 | -70.1 | 176.9 | 0 | 0 | 109.7 | ||||
| 1031 | R | 24.3 | Very low | 25.8 | Very low | 236 Ų | 236 | 147.5 Ų | 147.5 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -137.5 | 110.5 | 172.7 | -164.9 | -178.8 | -165.9 | -176.2 | 6.1 | 108.9 | ||||
| 1032 | S | 27.8 | Very low | 25.8 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -128.1 | 127.1 | 170.5 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1033 | T | 25.3 | Very low | 25.9 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -103.6 | 129.1 | -175.8 | 48.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1034 | V | 27.3 | Very low | 25.9 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 92% | 0.915 | 80% | 0.802 | S | S | * | * | trans | -135.5 | 139.1 | 155.6 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1035 | S | 24.8 | Very low | 26.2 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -111.4 | 141.5 | -167.9 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1036 | H | 24.4 | Very low | 26.3 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 55.2 | 117.9 | 158.2 | -62.2 | -64.2 | 0 | 0 | 0 | 119.8 | ||||
| 1037 | Q | 26.1 | Very low | 26.4 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | -156.6 | 154.4 | 109.2 | -105.8 | 167.7 | 27.9 | 0 | 0 | 110.8 | |||||
| 1038 | S | 22.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 155.2 | 178.1 | -48.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1039 | P | 29 | Very low | 26.8 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -152.2 | 154.9 | 90.1 | 38.1 | -20.3 | 0 | 0 | 0 | 117.2 | |||||
| 1040 | A | 23.8 | Very low | 27 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 29.7 | 157.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1041 | V | 26.5 | Very low | 27.2 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | cis | -161.8 | 140 | 41.6 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1042 | S | 25.5 | Very low | 27.6 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 61.1 | 156.3 | 158.1 | -67.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1043 | T | 27.6 | Very low | 28.1 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -161.6 | 135.3 | -19.5 | 23.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1044 | A | 24.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 16.8 | 160.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1045 | P | 32.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | cis | -134.4 | 179 | -35.2 | 39.4 | -24.4 | 0 | 0 | 0 | 112.4 | ||||
| 1046 | I | 26.6 | Very low | 30 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 173.4 | 136.6 | 138.6 | -94.5 | 158.1 | 0 | 0 | 0 | 111.6 | ||||
| 1047 | E | 30.2 | Very low | 31 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 46.1 | 133.6 | 158.4 | -71.4 | 152.8 | -158.3 | 0 | 0 | 122.9 | ||||
| 1048 | D | 25.8 | Very low | 31.9 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 87% | 0.872 | 71% | 0.705 | S | S | * | * | trans | -84.2 | 144.1 | 174.6 | -51.1 | -86.4 | 0 | 0 | 0 | 112.2 | ||||
| 1049 | V | 32.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -138.5 | 133.2 | 161.3 | -180 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1050 | D | 32.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 81% | 0.807 | 69% | 0.691 | S | S | * | * | trans | -69.8 | 144.1 | -169.8 | -76.4 | -64.8 | 0 | 0 | 0 | 114.6 | ||||
| 1051 | M | 32 | Very low | 33.7 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 83% | 0.828 | 69% | 0.688 | S | S | * | * | trans | -88.4 | 114.5 | 168.2 | -102.4 | -72.2 | -53.9 | 0 | 0 | 109 | T1053 | M1051-T1053 PolarHBondContact O-N 3.22Š| ||
| 1052 | D | 31.5 | Very low | 34.1 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 44% | 0.444 | 67% | 0.674 | S | S | . | * | trans | -61.6 | 124 | -177.9 | -103.9 | -46.2 | 0 | 0 | 0 | 112.9 | Q1056 N1638 | D1052-Q1056 PolarHBondContact OD1-NE2 3.46Å; D1052-N1638 PolarHBondContact OD2-ND2 2.83Å | ||
| 1053 | T | 39.4 | Very low | 34.5 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | trans | -88.4 | 145.4 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 111 | M1051 D1055 | M1051-T1053 PolarHBondContact O-N 3.22Å; T1053-D1055 PolarHBondContact O-N 2.96Å | ||
| 1054 | G | 38.9 | Very low | 34.6 | Very low | 59 Ų | 59 | 125.9 Ų | 125.9 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q1056 | G1054-Q1056 VanDerWaalsContact C-N 3.34Š|
| 1055 | D | 36.3 | Very low | 34.8 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 45% | 0.449 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69.9 | -26.6 | 176.4 | -81.9 | -69.5 | 0 | 0 | 0 | 113 | T1053 I1057 L1058 E1059 R1062 | T1053-D1055 PolarHBondContact O-N 2.96Å; D1055-I1057 PolarHBondContact O-N 3.42Å; D1055-L1058 WeakPolarHBondContact O-CB 3.37Å; D1055-L1058 PolarHBondContact O-N 3.1Å; D1055-E1059 PolarHBondContact O-N 3.44Å; D1055-R1062 IonicContact OD1-NH2 3.63Å |
| 1056 | Q | 42 | Very low | 34.5 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -59.5 | -31.7 | 178.7 | -62.5 | -152.2 | 37.3 | 0 | 0 | 113 | D1052 G1054 E1059 | D1052-Q1056 PolarHBondContact OD1-NE2 3.46Å; G1054-Q1056 VanDerWaalsContact C-N 3.34Å; Q1056-E1059 PolarHBondContact O-N 3.33Å |
| 1057 | I | 44.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.8 | -31.3 | 176.8 | -62.9 | 176.4 | 0 | 0 | 0 | 111.1 | D1055 | D1055-I1057 PolarHBondContact O-N 3.42Å |
| 1058 | L | 45.1 | Very low | 34.3 | Very low | 93 Ų | 93 | 127 Ų | 127 | 49% | 0.487 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -75.4 | -33 | 175.2 | -64.7 | 174.2 | 0 | 0 | 0 | 112 | D1055 K1060 Y1061 R1062 | D1055-L1058 WeakPolarHBondContact O-CB 3.37Å; D1055-L1058 PolarHBondContact O-N 3.1Å; L1058-K1060 VanDerWaalsContact C-N 3.32Å; L1058-K1060 PolarHBondContact O-N 3.15Å; L1058-Y1061 PolarHBondContact O-N 3.37Å; L1058-Y1061 VanDerWaalsContact O-N 3.1Å; L1058-R1062 WeakPolarHBondContact O-CG 3.49Å; L1058-R1062 PolarHBondContact O-N 3.12Å |
| 1059 | E | 38.9 | Very low | 34.3 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 50% | 0.5 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -62.7 | -38.2 | -178.8 | -149 | 61.5 | -157.2 | 0 | 0 | 112.3 | D1055 Q1056 Y1061 R1062 A1063 | D1055-E1059 PolarHBondContact O-N 3.44Å; Q1056-E1059 PolarHBondContact O-N 3.33Å; E1059-Y1061 PolarHBondContact O-N 3.38Å; E1059-R1062 PolarHBondContact O-N 2.89Å; E1059-R1062 VanDerWaalsContact O-N 3.15Å; E1059-R1062 WeakPolarHBondContact OE2-CD 3.43Å; E1059-R1062 IonicContact OE2-CZ 3.73Å; E1059-R1062 IonicContact OE2-NE 2.76Å; E1059-R1062 IonicContact OE2-NH1 3.09Å; E1059-R1062 PolarHBondContact OE2-NH1 3.42Å; E1059-A1063 PolarHBondContact O-N 3.5Å |
| 1060 | K | 39.4 | Very low | 33.9 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61.2 | -28.3 | 175.3 | -164.9 | 174 | -178.6 | -178.8 | 0 | 113.2 | L1058 | L1058-K1060 VanDerWaalsContact C-N 3.32Å; L1058-K1060 PolarHBondContact O-N 3.15Å |
| 1061 | Y | 36 | Very low | 33.6 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -94.3 | -17.8 | 175.8 | -76.5 | -77 | 0 | 0 | 0 | 114.1 | L1058 E1059 A1063 | L1058-Y1061 PolarHBondContact O-N 3.37Å; L1058-Y1061 VanDerWaalsContact O-N 3.1Å; E1059-Y1061 PolarHBondContact O-N 3.38Å; Y1061-A1063 VanDerWaalsContact C-N 3.32Å |
| 1062 | R | 35.2 | Very low | 33.3 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 46% | 0.457 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -66.9 | -35.4 | 168.8 | -73.7 | 167.9 | -179.6 | 155.3 | 5.4 | 111.3 | D1055 L1058 E1059 M1064 R1065 | D1055-R1062 IonicContact OD1-NH2 3.63Å; L1058-R1062 WeakPolarHBondContact O-CG 3.49Å; L1058-R1062 PolarHBondContact O-N 3.12Å; E1059-R1062 PolarHBondContact O-N 2.89Å; E1059-R1062 VanDerWaalsContact O-N 3.15Å; E1059-R1062 WeakPolarHBondContact OE2-CD 3.43Å; E1059-R1062 IonicContact OE2-CZ 3.73Å; E1059-R1062 IonicContact OE2-NE 2.76Å; E1059-R1062 IonicContact OE2-NH1 3.09Å; E1059-R1062 PolarHBondContact OE2-NH1 3.42Å; R1062-M1064 PolarHBondContact O-N 2.9Å; R1062-M1064 VanDerWaalsContact O-N 3.12Å; R1062-R1065 PolarHBondContact O-N 3.09Å |
| 1063 | A | 32.7 | Very low | 33.1 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -13.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1059 Y1061 | E1059-A1063 PolarHBondContact O-N 3.5Å; Y1061-A1063 VanDerWaalsContact C-N 3.32Å |
| 1064 | M | 30.7 | Very low | 32.5 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 88% | 0.877 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 11.5 | 177.6 | -82 | -173.1 | 167 | 0 | 0 | 114.6 | R1062 | R1062-M1064 PolarHBondContact O-N 2.9Å; R1062-M1064 VanDerWaalsContact O-N 3.12Å |
| 1065 | R | 28 | Very low | 31.9 | Very low | 225 Ų | 225 | 134.7 Ų | 134.7 | 85% | 0.849 | 70% | 0.7 | S | S | * | * | trans | -116.3 | 22.5 | 177.2 | -79.4 | -171.6 | 169.4 | -176.7 | -1.1 | 114.7 | R1062 | R1062-R1065 PolarHBondContact O-N 3.09Š| ||
| 1066 | T | 26.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | -104 | 26 | -176.9 | 45.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1067 | V | 27.2 | Very low | 30.9 | Very low | 147 Ų | 147 | 134 Ų | 134 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -133.5 | 131.9 | 162.8 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1068 | G | 25.4 | Very low | 30 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 101.7 | 44.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 1069 | N | 24 | Very low | 29.1 | Very low | 178 Ų | 178 | 134 Ų | 134 | 95% | 0.952 | 75% | 0.751 | S | S | * | * | trans | -161.7 | 56.3 | 147.4 | -110.4 | -13.7 | 0 | 0 | 0 | 112.3 | ||||
| 1070 | G | 26.2 | Very low | 28.6 | Very low | 58 Ų | 58 | 132.8 Ų | 132.8 | 60% | 0.598 | 77% | 0.766 | S | S | * | * | trans | -100.3 | 139.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y1072 | G1070-Y1072 PolarHBondContact O-N 3Š| ||
| 1071 | S | 25.8 | Very low | 27.9 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -65 | 122.7 | 170.8 | -166.3 | 0 | 0 | 0 | 0 | 109.2 | D1073 | S1071-D1073 PolarHBondContact O-N 3.44Å; S1071-D1073 VanDerWaalsContact O-N 3.16Å | ||
| 1072 | Y | 24.9 | Very low | 27.8 | Very low | 223 Ų | 223 | 128.7 Ų | 128.7 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | -78 | 98.6 | 178 | -72.5 | -83.2 | 0 | 0 | 0 | 110.5 | G1070 | G1070-Y1072 PolarHBondContact O-N 3Š| ||
| 1073 | D | 26.8 | Very low | 27.7 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -143.6 | 110.8 | 159 | -105.4 | -37.3 | 0 | 0 | 0 | 112.4 | S1071 | S1071-D1073 PolarHBondContact O-N 3.44Å; S1071-D1073 VanDerWaalsContact O-N 3.16Å | ||
| 1074 | L | 27.9 | Very low | 27.3 | Very low | 140 Ų | 140 | 132 Ų | 132 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 73.9 | 107.8 | 145.7 | -55.2 | -179.8 | 0 | 0 | 0 | 123.1 | ||||
| 1075 | I | 27 | Very low | 27.3 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 80.9 | 111.6 | 129 | -58.9 | 166.6 | 0 | 0 | 0 | 119.3 | |||||
| 1076 | A | 23.9 | Very low | 27.2 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | -177.1 | 158.9 | 109.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1077 | P | 32.4 | Very low | 27.1 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | -130.6 | 173.6 | -56.4 | 39.4 | -25.7 | 0 | 0 | 0 | 113 | |||||
| 1078 | C | 26.5 | Very low | 27.2 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 92% | 0.919 | 79% | 0.788 | S | S | * | * | trans | 68.7 | 129.1 | 171.7 | -53.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1079 | G | 25.5 | Very low | 27.2 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | cis | 164.4 | 127 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1080 | G | 28.5 | Very low | 27.5 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 162.5 | 80.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1081 | D | 24.4 | Very low | 27.7 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -66.6 | 174.8 | 158.3 | -57 | -72.8 | 0 | 0 | 0 | 110.8 | ||||
| 1082 | P | 34.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | cis | -130.5 | -166.7 | 9.4 | 17.7 | 12 | 0 | 0 | 0 | 112.6 | ||||
| 1083 | P | 32.4 | Very low | 28 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | cis | -134.2 | 160.7 | 13.7 | 41.3 | -22.8 | 0 | 0 | 0 | 119.7 | ||||
| 1084 | I | 25.2 | Very low | 28.1 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 70% | 0.703 | 81% | 0.811 | S | S | * | * | trans | -92 | 127.1 | -177.5 | -61 | 158.6 | 0 | 0 | 0 | 111.9 | K1086 | I1084-K1086 HydrophobicContact CG2-CG 3.96Š| ||
| 1085 | V | 31 | Very low | 28.2 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -147.5 | 102.1 | 145 | -173.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1086 | K | 24.5 | Very low | 28.3 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | 74.3 | 141.8 | 69.2 | -84.3 | -170 | 174.6 | -172.7 | 0 | 116 | I1084 | I1084-K1086 HydrophobicContact CG2-CG 3.96Š| |||
| 1087 | M | 25.9 | Very low | 28.5 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 81.3 | 131.2 | 174.2 | -51.7 | -167.4 | 72.1 | 0 | 0 | 115.4 | ||||
| 1088 | S | 29.8 | Very low | 28.4 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | cis | -160.2 | 145.9 | -7.4 | 39.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1089 | E | 24.2 | Very low | 28.9 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 140.2 | 160.5 | -60.5 | 164.8 | 98.3 | 0 | 0 | 110.2 | ||||
| 1090 | A | 30 | Very low | 29.5 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | 174.7 | 98.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1091 | T | 30.1 | Very low | 30.4 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | -177.4 | 106.1 | 119.1 | 28.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1092 | L | 28.2 | Very low | 31.9 | Very low | 187 Ų | 187 | 140 Ų | 140 | 98% | 0.979 | 80% | 0.799 | S | S | * | * | trans | -102.3 | 98.4 | 165.7 | -91.8 | 168.1 | 0 | 0 | 0 | 108.8 | ||||
| 1093 | A | 29.5 | Very low | 33 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -166.1 | 82.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1094 | D | 28.2 | Very low | 34.4 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | 160.4 | 121.9 | 103.7 | -172.7 | 24.8 | 0 | 0 | 0 | 112.2 | |||||
| 1095 | R | 30.5 | Very low | 36.9 | Very low | 244 Ų | 244 | 136 Ų | 136 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | 174.3 | 77.5 | 148.7 | -100.1 | 169.4 | -169.2 | -137 | -0.2 | 109 | ||||
| 1096 | S | 29 | Very low | 39.3 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | -78.4 | 150.5 | 160.3 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1097 | S | 28.3 | Very low | 41.9 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | 61.3 | 104.4 | 177.9 | 68 | 0 | 0 | 0 | 0 | 118 | ||||
| 1098 | S | 30.7 | Very low | 44.1 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | -179.3 | 124.3 | 106.6 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1099 | N | 35.8 | Very low | 46.1 | Very low | 127 Ų | 127 | 120 Ų | 120 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | trans | 47.4 | 102.5 | 159.9 | -62.8 | -0.2 | 0 | 0 | 0 | 120.3 | N1101 | N1099-N1101 HydrophobicContact CB-CB 4.24Å; N1099-N1101 PolarHBondContact O-N 2.88Å | ||
| 1100 | D | 38.1 | Very low | 48.7 | Very low | 174 Ų | 174 | 113.2 Ų | 113.2 | 93% | 0.93 | 66% | 0.66 | S | S | * | * | trans | -61.4 | 75.6 | 134.9 | -72.9 | -61.4 | 0 | 0 | 0 | 110.3 | ||||
| 1101 | N | 48.1 | Very low | 50.9 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | trans | -95.9 | 120.9 | 161.4 | -99.7 | -13.3 | 0 | 0 | 0 | 107.6 | N1099 M1103 | N1099-N1101 HydrophobicContact CB-CB 4.24Å; N1099-N1101 PolarHBondContact O-N 2.88Å; N1101-M1103 PolarHBondContact O-N 3.39Å | ||
| 1102 | P | 55.1 | Low | 53.1 | Low | 118 Ų | 118 | 105.5 Ų | 105.5 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | trans | -60.9 | 115.4 | 169.1 | 26 | -32.1 | 0 | 0 | 0 | 108 | P1104 | P1102-P1104 VanDerWaalsContact O-N 3.13Š| ||
| 1103 | M | 57.7 | Low | 55.4 | Low | 139 Ų | 139 | 104 Ų | 104 | 69% | 0.685 | 59% | 0.591 | S | S | * | * | trans | -49.7 | 122.1 | 177 | -105.4 | -70.2 | -174.5 | 0 | 0 | 108.5 | N1101 Y1105 | N1101-M1103 PolarHBondContact O-N 3.39Å; M1103-Y1105 PolarHBondContact O-N 2.83Å | ||
| 1104 | P | 63.1 | Low | 58 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 51% | 0.506 | 56% | 0.556 | S | S | . | * | trans | -60.2 | 136.9 | -172.6 | 24.8 | -34.5 | 0 | 0 | 0 | 109.4 | P1102 F1106 D1107 | P1102-P1104 VanDerWaalsContact O-N 3.13Å; P1104-F1106 CarbonylContact O-C 3.58Å; P1104-F1106 PolarHBondContact O-N 3.36Å; P1104-D1107 HydrophobicContact CG-CB 4.37Å | ||
| 1105 | Y | 77.7 | Confident | 60.5 | Low | 76 Ų | 76 | 99.5 Ų | 99.5 | 30% | 0.298 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -46 | -37.3 | -175.2 | 177.5 | -106.9 | 0 | 0 | 0 | 112.5 | M1103 Q1115 A1116 D1119 L1184 M1187 | M1103-Y1105 PolarHBondContact O-N 2.83Å; Y1105-Q1115 HydrophobicContact CD2-CB 3.78Å; Y1105-Q1115 HydrophobicContact CE2-CB 3.96Å; Y1105-Q1115 PolarHBondContact O-N 3.03Å; Y1105-A1116 HydrophobicContact CD1-CB 3.81Å; Y1105-A1116 HydrophobicContact CE1-CB 3.55Å; Y1105-A1116 HydrophobicContact CG-CB 4.45Å; Y1105-A1116 VanDerWaalsContact O-CB 3.26Å; Y1105-A1116 WeakPolarHBondContact O-CB 3.4Å; Y1105-A1116 PolarHBondContact O-N 3.2Å; Y1105-D1119 WeakPolarHBondContact CE2-OD2 3.28Å; Y1105-D1119 PolarHBondContact OH-OD2 3Å; Y1105-L1184 HydrophobicContact CE1-CD2 3.77Å; Y1105-L1184 WeakPolarHBondContact OH-CD2 3.43Å; Y1105-M1187 HydrophobicContact CE1-SD 4.48Å |
| 1106 | F | 81 | Confident | 63 | Low | 58 Ų | 58 | 87.9 Ų | 87.9 | 25% | 0.254 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -117.4 | 128.4 | 164.4 | 174.4 | -90.2 | 0 | 0 | 0 | 110.4 | P1104 A1116 M1187 F1188 | P1104-F1106 CarbonylContact O-C 3.58Å; P1104-F1106 PolarHBondContact O-N 3.36Å; F1106-A1116 HydrophobicContact CB-CB 4.05Å; F1106-A1116 HydrophobicContact CD2-CB 4.29Å; F1106-M1187 HydrophobicContact CB-CE 3.47Å; F1106-M1187 VanDerWaalsContact CB-CE 3.47Å; F1106-M1187 HydrophobicContact CD2-CB 4.02Å; F1106-M1187 HydrophobicContact CD2-CE 4.42Å; F1106-M1187 HydrophobicContact CE2-CB 4.17Å; F1106-M1187 WeakPolarHBondContact CE2-O 3.44Å; F1106-M1187 HydrophobicContact CG-CE 3.95Å; F1106-M1187 WeakPolarHBondContact CZ-O 3.25Å; F1106-F1188 HydrophobicContact CD2-CD1 4.42Å; F1106-F1188 AromaticContact CD2-CE1 3.91Å; F1106-F1188 HydrophobicContact CD2-CE1 3.91Å; F1106-F1188 HydrophobicContact CD2-CZ 4.17Å; F1106-F1188 AromaticContact CE2-CD1 3.74Å; F1106-F1188 HydrophobicContact CE2-CD1 3.74Å; F1106-F1188 AromaticContact CE2-CE1 3.66Å; F1106-F1188 HydrophobicContact CE2-CE1 3.66Å; F1106-F1188 HydrophobicContact CE2-CG 4.41Å; F1106-F1188 HydrophobicContact CE2-CZ 4.28Å |
| 1107 | D | 78.7 | Confident | 65.8 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 14% | 0.139 | 48% | 0.475 | C | S | . | . | trans | -114.8 | 122.3 | 166.4 | 170.8 | 22.3 | 0 | 0 | 0 | 109.1 | P1104 T1109 N1110 V1111 C1114 | P1104-D1107 HydrophobicContact CG-CB 4.37Å; D1107-T1109 VanDerWaalsContact C-N 3.33Å; D1107-T1109 VanDerWaalsContact CG-OG1 3.29Å; D1107-T1109 WeakPolarHBondContact OD1-CB 3.26Å; D1107-T1109 PolarHBondContact OD1-N 3.43Å; D1107-T1109 PolarHBondContact OD1-OG1 3.32Å; D1107-T1109 PolarHBondContact OD2-OG1 2.93Å; D1107-N1110 WeakPolarHBondContact OD2-CA 3.32Å; D1107-N1110 WeakPolarHBondContact OD2-CB 3.2Å; D1107-N1110 PolarHBondContact OD2-N 3.24Å; D1107-V1111 WeakPolarHBondContact O-CA 3.39Å; D1107-V1111 PolarHBondContact O-N 2.88Å; D1107-C1114 HydrophobicContact CB-CB 4.1Å; D1107-C1114 VanDerWaalsContact N-CB 3.34Å | ||
| 1108 | G | 72.3 | Confident | 68.5 | Low | 49 Ų | 49 | 79.6 Ų | 79.6 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -77.2 | -14.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1111 | G1108-V1111 WeakPolarHBondContact O-CG2 3.49Š|
| 1109 | T | 72.4 | Confident | 71.1 | Confident | 131 Ų | 131 | 76 Ų | 76 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -87.3 | -43.8 | 178 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | D1107 | D1107-T1109 VanDerWaalsContact C-N 3.33Å; D1107-T1109 VanDerWaalsContact CG-OG1 3.29Å; D1107-T1109 WeakPolarHBondContact OD1-CB 3.26Å; D1107-T1109 PolarHBondContact OD1-N 3.43Å; D1107-T1109 PolarHBondContact OD1-OG1 3.32Å; D1107-T1109 PolarHBondContact OD2-OG1 2.93Å |
| 1110 | N | 78.2 | Confident | 73.5 | Confident | 53 Ų | 53 | 70 Ų | 70 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -115.3 | 55.3 | 177.7 | -164.8 | -2.5 | 0 | 0 | 0 | 112.3 | D1107 T1112 Q1113 C1114 | D1107-N1110 WeakPolarHBondContact OD2-CA 3.32Å; D1107-N1110 WeakPolarHBondContact OD2-CB 3.2Å; D1107-N1110 PolarHBondContact OD2-N 3.24Å; N1110-T1112 PolarHBondContact O-N 2.86Å; N1110-Q1113 PolarHBondContact ND2-OE1 3.01Å; N1110-Q1113 PolarHBondContact O-N 3.26Å; N1110-Q1113 WeakPolarHBondContact OD1-CG 3.43Å; N1110-C1114 PolarHBondContact O-N 2.7Å |
| 1111 | V | 76.4 | Confident | 76 | Confident | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -33.9 | -176 | -176.9 | 0 | 0 | 0 | 0 | 114.1 | D1107 G1108 Q1113 C1114 F1117 F1188 | D1107-V1111 WeakPolarHBondContact O-CA 3.39Å; D1107-V1111 PolarHBondContact O-N 2.88Å; G1108-V1111 WeakPolarHBondContact O-CG2 3.49Å; V1111-Q1113 PolarHBondContact O-N 3.16Å; V1111-C1114 PolarHBondContact O-SG 2.76Å; V1111-F1117 HydrophobicContact CG1-CD2 4.05Å; V1111-F1117 WeakPolarHBondContact O-CB 3.15Å; V1111-F1117 WeakPolarHBondContact O-CD2 3.24Å; V1111-F1117 VanDerWaalsContact O-CG 3.24Å; V1111-F1117 WeakPolarHBondContact O-CG 3.4Å; V1111-F1188 HydrophobicContact CG1-CD1 3.57Å; V1111-F1188 HydrophobicContact CG1-CE1 3.73Å |
| 1112 | T | 75.8 | Confident | 77.7 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -11 | -178.2 | 31.6 | 0 | 0 | 0 | 0 | 115.4 | N1110 F1117 K1195 | N1110-T1112 PolarHBondContact O-N 2.86Å; T1112-F1117 HydrophobicContact CG2-CE1 4.09Å; T1112-F1117 HydrophobicContact CG2-CE2 4.37Å; T1112-F1117 HydrophobicContact CG2-CZ 3.89Å; T1112-K1195 HydrophobicContact CG2-CB 4.33Å; T1112-K1195 HydrophobicContact CG2-CD 3.93Å |
| 1113 | Q | 77.1 | Confident | 79.2 | Confident | 156 Ų | 156 | 62.4 Ų | 62.4 | 73% | 0.729 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -5.4 | -178.7 | -63.9 | -175.9 | -6.2 | 0 | 0 | 113.5 | N1110 V1111 | N1110-Q1113 PolarHBondContact ND2-OE1 3.01Å; N1110-Q1113 PolarHBondContact O-N 3.26Å; N1110-Q1113 WeakPolarHBondContact OD1-CG 3.43Å; V1111-Q1113 PolarHBondContact O-N 3.16Å |
| 1114 | C | 83 | Confident | 80.6 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -76 | 151 | 176.2 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | D1107 N1110 V1111 A1116 F1117 G1118 | D1107-C1114 HydrophobicContact CB-CB 4.1Å; D1107-C1114 VanDerWaalsContact N-CB 3.34Å; N1110-C1114 PolarHBondContact O-N 2.7Å; V1111-C1114 PolarHBondContact O-SG 2.76Å; C1114-A1116 VanDerWaalsContact C-N 3.3Å; C1114-A1116 PolarHBondContact O-N 3.35Å; C1114-F1117 PolarHBondContact O-N 3.46Å; C1114-F1117 VanDerWaalsContact O-N 3.11Å; C1114-G1118 PolarHBondContact O-N 3.44Å |
| 1115 | Q | 82.1 | Confident | 81.7 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | -175.1 | -67.4 | -178 | -6.4 | 0 | 0 | 112.3 | Y1105 F1117 G1118 D1119 | Y1105-Q1115 HydrophobicContact CD2-CB 3.78Å; Y1105-Q1115 HydrophobicContact CE2-CB 3.96Å; Y1105-Q1115 PolarHBondContact O-N 3.03Å; Q1115-F1117 PolarHBondContact O-N 2.87Å; Q1115-G1118 PolarHBondContact O-N 3.31Å; Q1115-G1118 VanDerWaalsContact O-N 3.1Å; Q1115-D1119 PolarHBondContact O-N 2.91Å |
| 1116 | A | 83.4 | Confident | 82 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.5 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1105 F1106 C1114 A1120 F1188 | Y1105-A1116 HydrophobicContact CD1-CB 3.81Å; Y1105-A1116 HydrophobicContact CE1-CB 3.55Å; Y1105-A1116 HydrophobicContact CG-CB 4.45Å; Y1105-A1116 VanDerWaalsContact O-CB 3.26Å; Y1105-A1116 WeakPolarHBondContact O-CB 3.4Å; Y1105-A1116 PolarHBondContact O-N 3.2Å; F1106-A1116 HydrophobicContact CB-CB 4.05Å; F1106-A1116 HydrophobicContact CD2-CB 4.29Å; C1114-A1116 VanDerWaalsContact C-N 3.3Å; C1114-A1116 PolarHBondContact O-N 3.35Å; A1116-A1120 WeakPolarHBondContact O-CB 3.41Å; A1116-A1120 PolarHBondContact O-N 3.03Å; A1116-F1188 HydrophobicContact CB-CZ 4.03Å |
| 1117 | F | 87.6 | Confident | 82.2 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.044 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.9 | -39.1 | 179.3 | -174.5 | -91.1 | 0 | 0 | 0 | 111.4 | V1111 T1112 C1114 Q1115 K1121 F1188 K1195 L1196 T1199 | V1111-F1117 HydrophobicContact CG1-CD2 4.05Å; V1111-F1117 WeakPolarHBondContact O-CB 3.15Å; V1111-F1117 WeakPolarHBondContact O-CD2 3.24Å; V1111-F1117 VanDerWaalsContact O-CG 3.24Å; V1111-F1117 WeakPolarHBondContact O-CG 3.4Å; T1112-F1117 HydrophobicContact CG2-CE1 4.09Å; T1112-F1117 HydrophobicContact CG2-CE2 4.37Å; T1112-F1117 HydrophobicContact CG2-CZ 3.89Å; C1114-F1117 PolarHBondContact O-N 3.46Å; C1114-F1117 VanDerWaalsContact O-N 3.11Å; Q1115-F1117 PolarHBondContact O-N 2.87Å; F1117-K1121 WeakPolarHBondContact O-CB 3.32Å; F1117-K1121 PolarHBondContact O-N 2.96Å; F1117-F1188 HydrophobicContact CB-CE1 3.96Å; F1117-F1188 HydrophobicContact CB-CZ 4.05Å; F1117-F1188 HydrophobicContact CD2-CD1 4.31Å; F1117-F1188 AromaticContact CD2-CE1 3.81Å; F1117-F1188 HydrophobicContact CD2-CE1 3.81Å; F1117-F1188 HydrophobicContact CD2-CZ 4.38Å; F1117-F1188 HydrophobicContact CG-CE1 4.39Å; F1117-K1195 HydrophobicContact CE2-CB 4.31Å; F1117-K1195 HydrophobicContact CZ-CB 4.36Å; F1117-L1196 HydrophobicContact CD1-CD1 4.42Å; F1117-L1196 HydrophobicContact CD2-CD1 3.93Å; F1117-L1196 HydrophobicContact CE1-CD1 4.2Å; F1117-L1196 HydrophobicContact CE2-CB 3.82Å; F1117-L1196 HydrophobicContact CE2-CD1 3.69Å; F1117-L1196 HydrophobicContact CE2-CG 4.39Å; F1117-L1196 HydrophobicContact CG-CD1 4.29Å; F1117-L1196 HydrophobicContact CZ-CB 4.2Å; F1117-L1196 HydrophobicContact CZ-CD1 3.84Å; F1117-T1199 HydrophobicContact CE1-CG2 4.33Å; F1117-T1199 HydrophobicContact CZ-CG2 4.24Å |
| 1118 | G | 84 | Confident | 82.5 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1114 Q1115 R1122 | C1114-G1118 PolarHBondContact O-N 3.44Å; Q1115-G1118 PolarHBondContact O-N 3.31Å; Q1115-G1118 VanDerWaalsContact O-N 3.1Å; G1118-R1122 WeakPolarHBondContact O-CB 3.43Å; G1118-R1122 PolarHBondContact O-N 3.16Å |
| 1119 | D | 85.8 | Confident | 83 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 177.4 | -79.5 | -14.2 | 0 | 0 | 0 | 112.8 | Y1105 Q1115 K1121 R1122 K1123 L1184 | Y1105-D1119 WeakPolarHBondContact CE2-OD2 3.28Å; Y1105-D1119 PolarHBondContact OH-OD2 3Å; Q1115-D1119 PolarHBondContact O-N 2.91Å; D1119-K1121 VanDerWaalsContact C-N 3.31Å; D1119-K1121 PolarHBondContact O-N 3.31Å; D1119-R1122 PolarHBondContact O-N 3.27Å; D1119-R1122 IonicContact OD1-CZ 2.72Å; D1119-R1122 IonicContact OD1-NH1 3.63Å; D1119-R1122 PolarHBondContact OD1-NH1 3.45Å; D1119-R1122 IonicContact OD1-NH2 3.48Å; D1119-K1123 WeakPolarHBondContact O-CB 3.45Å; D1119-K1123 WeakPolarHBondContact O-CG 3.45Å; D1119-K1123 PolarHBondContact O-N 2.94Å; D1119-L1184 HydrophobicContact CB-CD1 4.25Å |
| 1120 | A | 87 | Confident | 83.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1116 L1124 L1184 F1188 L1196 | A1116-A1120 WeakPolarHBondContact O-CB 3.41Å; A1116-A1120 PolarHBondContact O-N 3.03Å; A1120-L1124 WeakPolarHBondContact O-CB 3.32Å; A1120-L1124 PolarHBondContact O-N 3.12Å; A1120-L1184 HydrophobicContact CB-CB 4.26Å; A1120-F1188 HydrophobicContact CB-CE2 3.8Å; A1120-F1188 HydrophobicContact CB-CZ 4.3Å; A1120-L1196 HydrophobicContact CB-CD2 4.29Å |
| 1121 | K | 88.6 | Confident | 83.1 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 21% | 0.213 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.8 | -167.9 | -170.5 | 63.8 | 169.4 | 0 | 111.8 | F1117 D1119 R1125 L1196 M1200 E1203 | F1117-K1121 WeakPolarHBondContact O-CB 3.32Å; F1117-K1121 PolarHBondContact O-N 2.96Å; D1119-K1121 VanDerWaalsContact C-N 3.31Å; D1119-K1121 PolarHBondContact O-N 3.31Å; K1121-R1125 WeakPolarHBondContact O-CB 3.37Å; K1121-R1125 PolarHBondContact O-N 3.44Å; K1121-L1196 HydrophobicContact CB-CD1 3.64Å; K1121-L1196 HydrophobicContact CG-CD1 4.18Å; K1121-M1200 HydrophobicContact CD-CG 4.43Å; K1121-M1200 HydrophobicContact CG-CG 3.71Å; K1121-M1200 HydrophobicContact CG-SD 4.33Å; K1121-E1203 IonicContact NZ-OE1 3.16Å; K1121-E1203 IonicContact NZ-OE2 2.85Å; K1121-E1203 PolarHBondContact NZ-OE2 2.82Å |
| 1122 | R | 84.5 | Confident | 83 | Confident | 142 Ų | 142 | 46.2 Ų | 46.2 | 54% | 0.536 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -48.3 | -179.7 | -165.4 | -169.1 | -57 | 104.6 | -0.6 | 111.2 | G1118 D1119 R1125 L1126 | G1118-R1122 WeakPolarHBondContact O-CB 3.43Å; G1118-R1122 PolarHBondContact O-N 3.16Å; D1119-R1122 PolarHBondContact O-N 3.27Å; D1119-R1122 IonicContact OD1-CZ 2.72Å; D1119-R1122 IonicContact OD1-NH1 3.63Å; D1119-R1122 PolarHBondContact OD1-NH1 3.45Å; D1119-R1122 IonicContact OD1-NH2 3.48Å; R1122-R1125 PolarHBondContact O-N 2.93Å; R1122-L1126 HydrophobicContact CG-CD1 4.48Å; R1122-L1126 WeakPolarHBondContact O-CG 3.33Å; R1122-L1126 PolarHBondContact O-N 2.71Å |
| 1123 | K | 87.4 | Confident | 82.8 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.4 | -40.2 | -179.7 | -71.6 | 166.7 | -179.3 | 172.3 | 0 | 111.6 | D1119 L1127 D1180 L1181 L1184 | D1119-K1123 WeakPolarHBondContact O-CB 3.45Å; D1119-K1123 WeakPolarHBondContact O-CG 3.45Å; D1119-K1123 PolarHBondContact O-N 2.94Å; K1123-L1127 VanDerWaalsContact O-CB 3.31Å; K1123-L1127 WeakPolarHBondContact O-CB 3.41Å; K1123-L1127 PolarHBondContact O-N 3.47Å; K1123-D1180 IonicContact NZ-OD2 3.93Å; K1123-D1180 PolarHBondContact NZ-OD2 3.38Å; K1123-L1181 HydrophobicContact CB-CB 4.48Å; K1123-L1181 HydrophobicContact CB-CD1 3.91Å; K1123-L1184 HydrophobicContact CD-CD1 3.65Å |
| 1124 | L | 87.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 174.7 | -170.6 | 61.5 | 0 | 0 | 0 | 111.6 | A1120 L1126 L1127 L1128 L1155 L1181 L1196 L1197 M1200 | A1120-L1124 WeakPolarHBondContact O-CB 3.32Å; A1120-L1124 PolarHBondContact O-N 3.12Å; L1124-L1126 VanDerWaalsContact C-N 3.35Å; L1124-L1126 PolarHBondContact O-N 3.06Å; L1124-L1127 PolarHBondContact O-N 2.81Å; L1124-L1128 HydrophobicContact CD1-CD1 3.95Å; L1124-L1128 HydrophobicContact CD1-CD2 3.78Å; L1124-L1128 HydrophobicContact CD1-CG 3.71Å; L1124-L1128 HydrophobicContact CG-CD1 3.98Å; L1124-L1128 HydrophobicContact CG-CG 4.01Å; L1124-L1128 WeakPolarHBondContact O-CB 3.46Å; L1124-L1128 VanDerWaalsContact O-CG 3.3Å; L1124-L1128 WeakPolarHBondContact O-CG 3.32Å; L1124-L1128 PolarHBondContact O-N 3.09Å; L1124-L1155 HydrophobicContact CD1-CD1 4.29Å; L1124-L1155 HydrophobicContact CD2-CD2 4.49Å; L1124-L1181 HydrophobicContact CB-CD1 4.2Å; L1124-L1181 HydrophobicContact CB-CD2 4.22Å; L1124-L1181 HydrophobicContact CD1-CD2 3.89Å; L1124-L1196 HydrophobicContact CD2-CD2 3.74Å; L1124-L1196 HydrophobicContact CD2-CG 4.28Å; L1124-L1197 HydrophobicContact CD2-CD2 3.9Å; L1124-M1200 HydrophobicContact CB-CE 4.4Å; L1124-M1200 HydrophobicContact CB-SD 4.12Å; L1124-M1200 HydrophobicContact CD2-CE 4.44Å; L1124-M1200 HydrophobicContact CD2-SD 3.69Å; L1124-M1200 HydrophobicContact CG-CE 4.07Å; L1124-M1200 HydrophobicContact CG-SD 3.88Å |
| 1125 | R | 86.4 | Confident | 81.9 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58 | -44.9 | 175.9 | -163.9 | -62.2 | -141.9 | -83.9 | 18.4 | 111.5 | L14 E17 K1121 R1122 S1129 M1200 R1207 | L14-R1125 HydrophobicContact CD2-CG 4.27Å; E17-R1125 VanDerWaalsContact CD-NH1 3.26Å; E17-R1125 IonicContact OE1-CZ 2.89Å; E17-R1125 IonicContact OE1-NH1 2.75Å; E17-R1125 PolarHBondContact OE1-NH1 3.45Å; E17-R1125 IonicContact OE1-NH2 2.69Å; E17-R1125 PolarHBondContact OE1-NH2 3.42Å; E17-R1125 IonicContact OE2-NH1 3.23Å; E17-R1125 PolarHBondContact OE2-NH1 3.41Å; E17-R1125 VanDerWaalsContact OE2-NH1 3.09Å; K1121-R1125 WeakPolarHBondContact O-CB 3.37Å; K1121-R1125 PolarHBondContact O-N 3.44Å; R1122-R1125 PolarHBondContact O-N 2.93Å; R1125-S1129 VanDerWaalsContact O-CB 3.3Å; R1125-S1129 WeakPolarHBondContact O-CB 3.3Å; R1125-S1129 PolarHBondContact O-N 3.48Å; R1125-S1129 PolarHBondContact O-OG 3.39Å; R1125-M1200 HydrophobicContact CB-CE 3.98Å; R1125-M1200 HydrophobicContact CG-CE 4.47Å; R1125-R1207 VanDerWaalsContact NH2-CZ 3.34Å |
| 1126 | L | 83.1 | Confident | 81.2 | Confident | 95 Ų | 95 | 38.6 Ų | 38.6 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.7 | -53.4 | 175.7 | -78.7 | 164.8 | 0 | 0 | 0 | 111.2 | R1122 L1124 S1129 S1130 | R1122-L1126 HydrophobicContact CG-CD1 4.48Å; R1122-L1126 WeakPolarHBondContact O-CG 3.33Å; R1122-L1126 PolarHBondContact O-N 2.71Å; L1124-L1126 VanDerWaalsContact C-N 3.35Å; L1124-L1126 PolarHBondContact O-N 3.06Å; L1126-S1129 PolarHBondContact O-N 3.24Å; L1126-S1129 PolarHBondContact O-OG 2.87Å; L1126-S1130 PolarHBondContact O-N 2.84Å; L1126-S1130 PolarHBondContact O-OG 3.2Å |
| 1127 | L | 85.8 | Confident | 80 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -49.3 | -173.9 | -161.2 | 175.8 | 0 | 0 | 0 | 112.5 | K1123 L1124 S1129 S1130 V1131 L1159 M1162 L1178 L1181 | K1123-L1127 VanDerWaalsContact O-CB 3.31Å; K1123-L1127 WeakPolarHBondContact O-CB 3.41Å; K1123-L1127 PolarHBondContact O-N 3.47Å; L1124-L1127 PolarHBondContact O-N 2.81Å; L1127-S1129 PolarHBondContact O-N 2.94Å; L1127-S1129 VanDerWaalsContact O-N 3.15Å; L1127-S1130 PolarHBondContact O-N 3.22Å; L1127-S1130 PolarHBondContact O-OG 3Å; L1127-V1131 HydrophobicContact CD2-CG2 3.74Å; L1127-V1131 PolarHBondContact O-N 3.4Å; L1127-L1159 HydrophobicContact CD1-CD2 4.07Å; L1127-M1162 HydrophobicContact CD2-CE 3.5Å; L1127-M1162 VanDerWaalsContact CD2-CE 3.5Å; L1127-M1162 HydrophobicContact CD2-SD 3.7Å; L1127-L1178 HydrophobicContact CD1-CD2 3.64Å; L1127-L1178 HydrophobicContact CD1-CG 3.83Å; L1127-L1178 HydrophobicContact CD2-CD2 4.38Å; L1127-L1178 HydrophobicContact CG-CD2 4.45Å; L1127-L1178 HydrophobicContact CG-CG 4.49Å; L1127-L1181 HydrophobicContact CB-CD2 4.45Å; L1127-L1181 HydrophobicContact CD1-CD2 3.41Å; L1127-L1181 VanDerWaalsContact CD1-CD2 3.41Å |
| 1128 | L | 84.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -22.3 | 178.5 | -59.6 | -165.1 | 0 | 0 | 0 | 112.4 | L7 L10 L14 L1124 F1158 M1200 | L7-L1128 HydrophobicContact CD1-CD1 3.87Å; L10-L1128 HydrophobicContact CD2-CD1 4.34Å; L10-L1128 HydrophobicContact CG-CD1 4.5Å; L14-L1128 HydrophobicContact CD1-CB 3.87Å; L14-L1128 HydrophobicContact CD1-CD1 4.37Å; L1124-L1128 HydrophobicContact CD1-CD1 3.95Å; L1124-L1128 HydrophobicContact CD1-CD2 3.78Å; L1124-L1128 HydrophobicContact CD1-CG 3.71Å; L1124-L1128 HydrophobicContact CG-CD1 3.98Å; L1124-L1128 HydrophobicContact CG-CG 4.01Å; L1124-L1128 WeakPolarHBondContact O-CB 3.46Å; L1124-L1128 VanDerWaalsContact O-CG 3.3Å; L1124-L1128 WeakPolarHBondContact O-CG 3.32Å; L1124-L1128 PolarHBondContact O-N 3.09Å; L1128-F1158 HydrophobicContact CD2-CE1 3.83Å; L1128-M1200 HydrophobicContact CD1-CE 4.12Å |
| 1129 | S | 84 | Confident | 76.8 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -9.1 | 174 | 78.1 | 0 | 0 | 0 | 0 | 114.8 | K18 R1125 L1126 L1127 | K18-S1129 WeakPolarHBondContact CD-O 3.28Å; K18-S1129 PolarHBondContact NZ-O 3.09Å; R1125-S1129 VanDerWaalsContact O-CB 3.3Å; R1125-S1129 WeakPolarHBondContact O-CB 3.3Å; R1125-S1129 PolarHBondContact O-N 3.48Å; R1125-S1129 PolarHBondContact O-OG 3.39Å; L1126-S1129 PolarHBondContact O-N 3.24Å; L1126-S1129 PolarHBondContact O-OG 2.87Å; L1127-S1129 PolarHBondContact O-N 2.94Å; L1127-S1129 VanDerWaalsContact O-N 3.15Å |
| 1130 | S | 79.2 | Confident | 75.2 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -10.3 | -175.7 | 60.2 | 0 | 0 | 0 | 0 | 115 | L1126 L1127 | L1126-S1130 PolarHBondContact O-N 2.84Å; L1126-S1130 PolarHBondContact O-OG 3.2Å; L1127-S1130 PolarHBondContact O-N 3.22Å; L1127-S1130 PolarHBondContact O-OG 3Å |
| 1131 | V | 73 | Confident | 73.5 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | trans | -95.1 | 137.2 | -174 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | L1127 V1133 L1136 M1162 | L1127-V1131 HydrophobicContact CD2-CG2 3.74Å; L1127-V1131 PolarHBondContact O-N 3.4Å; V1131-V1133 PolarHBondContact O-N 3.03Å; V1131-L1136 HydrophobicContact CG1-CD1 3.98Å; V1131-L1136 HydrophobicContact CG1-CG 4.4Å; V1131-M1162 HydrophobicContact CB-SD 4.04Å; V1131-M1162 HydrophobicContact CG1-CG 4.22Å; V1131-M1162 HydrophobicContact CG1-SD 3.72Å; V1131-M1162 HydrophobicContact CG2-SD 3.7Å | ||
| 1132 | D | 73.9 | Confident | 71.5 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 32% | 0.316 | 31% | 0.308 | S | S | . | . | trans | -82 | 104.6 | 167.8 | -161.8 | -27.3 | 0 | 0 | 0 | 109.6 | R15 D1134 S1135 | R15-D1132 VanDerWaalsContact CZ-CG 3.49Å; R15-D1132 IonicContact CZ-OD1 2.69Å; R15-D1132 IonicContact CZ-OD2 2.63Å; R15-D1132 IonicContact NH1-OD1 3.18Å; R15-D1132 PolarHBondContact NH1-OD1 3.25Å; R15-D1132 IonicContact NH1-OD2 3.47Å; R15-D1132 PolarHBondContact NH1-OD2 3.38Å; R15-D1132 IonicContact NH2-OD1 3.54Å; R15-D1132 IonicContact NH2-OD2 3.64Å; R15-D1132 PolarHBondContact NH2-OD2 2.97Å; D1132-D1134 PolarHBondContact O-N 3.47Å; D1132-D1134 PolarHBondContact OD1-N 3.4Å; D1132-D1134 VanDerWaalsContact OD1-N 3.16Å; D1132-S1135 PolarHBondContact O-OG 3.23Å | ||
| 1133 | V | 71.5 | Confident | 69.9 | Low | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.2 | -176.9 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | L8 C11 Y12 V1131 | L8-V1133 HydrophobicContact CD2-CG1 3.62Å; C11-V1133 HydrophobicContact CB-CG2 3.75Å; Y12-V1133 HydrophobicContact CE1-CB 3.87Å; Y12-V1133 HydrophobicContact CE1-CG1 4.21Å; Y12-V1133 HydrophobicContact CE1-CG2 4.45Å; Y12-V1133 HydrophobicContact CE2-CG1 4.07Å; Y12-V1133 WeakPolarHBondContact OH-CG1 3.29Å; V1131-V1133 PolarHBondContact O-N 3.03Å |
| 1134 | D | 72 | Confident | 67.9 | Low | 101 Ų | 101 | 55.1 Ų | 55.1 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -18.2 | -174.3 | -53.3 | -57.1 | 0 | 0 | 0 | 112.8 | Y12 D1132 | Y12-D1134 PolarHBondContact OH-OD1 3.17Å; D1132-D1134 PolarHBondContact O-N 3.47Å; D1132-D1134 PolarHBondContact OD1-N 3.4Å; D1132-D1134 VanDerWaalsContact OD1-N 3.16Å |
| 1135 | S | 68.4 | Low | 65.9 | Low | 74 Ų | 74 | 62.6 Ų | 62.6 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -22.5 | 170.3 | 74.9 | 0 | 0 | 0 | 0 | 113.1 | D1132 | D1132-S1135 PolarHBondContact O-OG 3.23Š|
| 1136 | L | 67.4 | Low | 64.1 | Low | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -63.7 | 134.3 | 179.2 | -68.6 | 175.7 | 0 | 0 | 0 | 110.6 | V1131 L1140 F1158 M1162 D1165 | V1131-L1136 HydrophobicContact CG1-CD1 3.98Å; V1131-L1136 HydrophobicContact CG1-CG 4.4Å; L1136-L1140 HydrophobicContact CB-CD1 4.24Å; L1136-L1140 HydrophobicContact CD1-CD1 4.08Å; L1136-F1158 HydrophobicContact CD1-CE2 3.89Å; L1136-F1158 HydrophobicContact CD1-CZ 4.4Å; L1136-M1162 HydrophobicContact CD1-CG 3.93Å; L1136-M1162 HydrophobicContact CD2-CG 4.21Å; L1136-D1165 HydrophobicContact CD2-CB 4.12Å |
| 1137 | P | 59.1 | Low | 62.6 | Low | 71 Ų | 71 | 68.4 Ų | 68.4 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | trans | -60.9 | 148.2 | -174.6 | 20.8 | -31.4 | 0 | 0 | 0 | 113 | T1139 L1140 | P1137-T1139 PolarHBondContact O-N 3.46Å; P1137-T1139 PolarHBondContact O-OG1 2.83Å; P1137-T1139 VanDerWaalsContact O-OG1 3.07Å; P1137-L1140 PolarHBondContact O-N 3.22Å | ||
| 1138 | V | 52.3 | Low | 61.2 | Low | 119 Ų | 119 | 77.6 Ų | 77.6 | 72% | 0.721 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -56.6 | -4 | -176.4 | -174 | 0 | 0 | 0 | 0 | 114.1 | L1140 S1141 | V1138-L1140 PolarHBondContact O-N 3.17Å; V1138-S1141 PolarHBondContact O-N 3.35Å |
| 1139 | T | 51.6 | Low | 60 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -52 | -30.3 | 168 | 33.5 | 0 | 0 | 0 | 0 | 114.1 | P1137 S1141 R1142 | P1137-T1139 PolarHBondContact O-N 3.46Å; P1137-T1139 PolarHBondContact O-OG1 2.83Å; P1137-T1139 VanDerWaalsContact O-OG1 3.07Å; T1139-S1141 PolarHBondContact O-N 3.17Å; T1139-R1142 PolarHBondContact O-N 3.41Å |
| 1140 | L | 53.1 | Low | 59.3 | Low | 14 Ų | 14 | 86.5 Ų | 86.5 | 7% | 0.073 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -58 | -34.5 | 172.8 | -69.7 | 179.4 | 0 | 0 | 0 | 112.5 | R4 L1136 P1137 V1138 R1142 L1143 F1158 T1161 | R4-L1140 VanDerWaalsContact CZ-O 3.26Å; R4-L1140 PolarHBondContact NH1-O 3.46Å; R4-L1140 PolarHBondContact NH2-O 2.94Å; L1136-L1140 HydrophobicContact CB-CD1 4.24Å; L1136-L1140 HydrophobicContact CD1-CD1 4.08Å; P1137-L1140 PolarHBondContact O-N 3.22Å; V1138-L1140 PolarHBondContact O-N 3.17Å; L1140-R1142 PolarHBondContact O-N 3.43Å; L1140-L1143 HydrophobicContact CD2-CD1 3.99Å; L1140-L1143 WeakPolarHBondContact O-CB 3.36Å; L1140-L1143 WeakPolarHBondContact O-CG 3.43Å; L1140-L1143 PolarHBondContact O-N 2.9Å; L1140-F1158 HydrophobicContact CD1-CD2 4.04Å; L1140-F1158 HydrophobicContact CD1-CE2 3.98Å; L1140-F1158 HydrophobicContact CD2-CD2 3.99Å; L1140-T1161 HydrophobicContact CD2-CG2 4.34Å |
| 1141 | S | 50.3 | Low | 58.9 | Low | 69 Ų | 69 | 85.8 Ų | 85.8 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -76 | -0.4 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 114.6 | R4 V1138 T1139 | R4-S1141 PolarHBondContact NH2-OG 2.98Å; V1138-S1141 PolarHBondContact O-N 3.35Å; T1139-S1141 PolarHBondContact O-N 3.17Å |
| 1142 | R | 47.9 | Very low | 58.9 | Low | 188 Ų | 188 | 85.5 Ų | 85.5 | 71% | 0.709 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -98.9 | -2.4 | 172.5 | -63.9 | -171.8 | 177.1 | -169.9 | -0.5 | 114 | T1139 L1140 S1144 L1145 | T1139-R1142 PolarHBondContact O-N 3.41Å; L1140-R1142 PolarHBondContact O-N 3.43Å; R1142-S1144 PolarHBondContact O-N 3.42Å; R1142-L1145 PolarHBondContact O-N 3.01Å |
| 1143 | L | 49.6 | Very low | 59 | Low | 38 Ų | 38 | 86.9 Ų | 86.9 | 20% | 0.199 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -63.5 | -21.8 | -179.3 | -66.8 | 173.6 | 0 | 0 | 0 | 113.8 | L1140 L1145 S1146 Q1157 | L1140-L1143 HydrophobicContact CD2-CD1 3.99Å; L1140-L1143 WeakPolarHBondContact O-CB 3.36Å; L1140-L1143 WeakPolarHBondContact O-CG 3.43Å; L1140-L1143 PolarHBondContact O-N 2.9Å; L1143-L1145 VanDerWaalsContact C-N 3.28Å; L1143-L1145 PolarHBondContact O-N 3.12Å; L1143-S1146 PolarHBondContact O-OG 3.17Å; L1143-Q1157 HydrophobicContact CD2-CG 3.75Å |
| 1144 | S | 45.5 | Very low | 59.3 | Low | 95 Ų | 95 | 88.5 Ų | 88.5 | 66% | 0.664 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -76.6 | -3.2 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | R1142 | R1142-S1144 PolarHBondContact O-N 3.42Š|
| 1145 | L | 46.4 | Very low | 59.8 | Low | 157 Ų | 157 | 83.7 Ų | 83.7 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -94.8 | 5 | -178.1 | -73.9 | 167 | 0 | 0 | 0 | 114.2 | R1142 L1143 | R1142-L1145 PolarHBondContact O-N 3.01Å; L1143-L1145 VanDerWaalsContact C-N 3.28Å; L1143-L1145 PolarHBondContact O-N 3.12Å |
| 1146 | S | 46.8 | Very low | 60.5 | Low | 66 Ų | 66 | 81.1 Ų | 81.1 | 46% | 0.462 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -117 | 144 | 168.2 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | L1143 | L1143-S1146 PolarHBondContact O-OG 3.17Š|
| 1147 | K | 53.3 | Low | 61.1 | Low | 198 Ų | 198 | 83.8 Ų | 83.8 | 86% | 0.861 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -44.9 | 138.9 | -179 | -62.4 | 176.9 | 179 | 179.4 | 0 | 112.2 | L1149 | K1147-L1149 PolarHBondContact O-N 3.42Š|
| 1148 | E | 55.2 | Low | 62.2 | Low | 199 Ų | 199 | 80.8 Ų | 80.8 | 93% | 0.93 | 41% | 0.413 | S | S | * | . | trans | -14.6 | 90.2 | 174 | -64.7 | -179.3 | 162.2 | 0 | 0 | 113.9 | ||||
| 1149 | L | 59.6 | Low | 63.8 | Low | 57 Ų | 57 | 75.1 Ų | 75.1 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | trans | -68.4 | 143.9 | 172.9 | -72.8 | 168.4 | 0 | 0 | 0 | 108.4 | K1147 E1153 E1154 | K1147-L1149 PolarHBondContact O-N 3.42Å; L1149-E1153 HydrophobicContact CB-CB 4.42Å; L1149-E1153 HydrophobicContact CD2-CB 4.27Å; L1149-E1154 HydrophobicContact CB-CG 3.73Å; L1149-E1154 HydrophobicContact CD1-CG 4.45Å | ||
| 1150 | K | 68.4 | Low | 65.4 | Low | 141 Ų | 141 | 77.1 Ų | 77.1 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | trans | -71.3 | 148 | 172.6 | -65.5 | 169.6 | -174.1 | 164.8 | 0 | 108.6 | G1152 E1153 E1154 | K1150-G1152 PolarHBondContact O-N 2.97Å; K1150-E1153 HydrophobicContact CB-CG 4.24Å; K1150-E1153 WeakPolarHBondContact CB-OE2 3.49Å; K1150-E1153 PolarHBondContact N-OE2 3.26Å; K1150-E1153 WeakPolarHBondContact O-CA 3.4Å; K1150-E1153 VanDerWaalsContact O-CB 3.29Å; K1150-E1153 WeakPolarHBondContact O-CB 3.44Å; K1150-E1153 PolarHBondContact O-N 3.19Å; K1150-E1154 PolarHBondContact O-N 3.15Å | ||
| 1151 | E | 71.4 | Confident | 66.8 | Low | 36 Ų | 36 | 77.7 Ų | 77.7 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -48.1 | -40.2 | -177.1 | -62.9 | 156.4 | 155 | 0 | 0 | 113.4 | F3 E1154 L1155 A1190 R1194 | F3-E1151 HydrophobicContact CB-CG 4.09Å; F3-E1151 HydrophobicContact CD1-CB 4.09Å; F3-E1151 HydrophobicContact CD1-CG 4.43Å; F3-E1151 HydrophobicContact CD2-CB 3.69Å; F3-E1151 HydrophobicContact CD2-CG 3.63Å; F3-E1151 HydrophobicContact CE1-CB 4.1Å; F3-E1151 WeakPolarHBondContact CE1-O 3.28Å; F3-E1151 HydrophobicContact CE2-CB 3.68Å; F3-E1151 HydrophobicContact CE2-CG 4.13Å; F3-E1151 HydrophobicContact CG-CB 3.89Å; F3-E1151 HydrophobicContact CG-CG 3.79Å; F3-E1151 HydrophobicContact CZ-CB 3.88Å; F3-E1151 WeakPolarHBondContact CZ-O 3.38Å; E1151-E1154 PolarHBondContact O-N 2.86Å; E1151-L1155 PolarHBondContact O-N 3.47Å; E1151-A1190 WeakPolarHBondContact OE2-CB 3.46Å; E1151-R1194 VanDerWaalsContact CD-NE 3.28Å; E1151-R1194 VanDerWaalsContact CD-NH2 3.27Å; E1151-R1194 WeakPolarHBondContact OE1-CD 3.34Å; E1151-R1194 IonicContact OE1-CZ 3.57Å; E1151-R1194 IonicContact OE1-NE 2.76Å; E1151-R1194 PolarHBondContact OE1-NE 3.1Å; E1151-R1194 IonicContact OE1-NH1 3.08Å; E1151-R1194 PolarHBondContact OE1-NH1 3.24Å; E1151-R1194 IonicContact OE1-NH2 2.78Å; E1151-R1194 PolarHBondContact OE1-NH2 3.26Å; E1151-R1194 VanDerWaalsContact OE1-NH2 3.16Å; E1151-R1194 IonicContact OE2-CZ 3.2Å; E1151-R1194 IonicContact OE2-NE 2.86Å; E1151-R1194 PolarHBondContact OE2-NE 3.05Å; E1151-R1194 IonicContact OE2-NH2 3.17Å; E1151-R1194 PolarHBondContact OE2-NH2 3.18Å |
| 1152 | G | 73.1 | Confident | 68.1 | Low | 10 Ų | 10 | 74.5 Ų | 74.5 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.3 | -29.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | K1150 L1156 | K1150-G1152 PolarHBondContact O-N 2.97Å; G1152-L1156 VanDerWaalsContact O-CB 3.3Å; G1152-L1156 WeakPolarHBondContact O-CB 3.42Å; G1152-L1156 WeakPolarHBondContact O-CD1 3.2Å; G1152-L1156 WeakPolarHBondContact O-CG 3.37Å; G1152-L1156 PolarHBondContact O-N 2.97Å |
| 1153 | E | 76.5 | Confident | 69.8 | Low | 88 Ų | 88 | 66.8 Ų | 66.8 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.4 | -38.4 | 174.5 | -60.4 | 166.7 | 159.3 | 0 | 0 | 110.4 | L1149 K1150 Q1157 | L1149-E1153 HydrophobicContact CB-CB 4.42Å; L1149-E1153 HydrophobicContact CD2-CB 4.27Å; K1150-E1153 HydrophobicContact CB-CG 4.24Å; K1150-E1153 WeakPolarHBondContact CB-OE2 3.49Å; K1150-E1153 PolarHBondContact N-OE2 3.26Å; K1150-E1153 WeakPolarHBondContact O-CA 3.4Å; K1150-E1153 VanDerWaalsContact O-CB 3.29Å; K1150-E1153 WeakPolarHBondContact O-CB 3.44Å; K1150-E1153 PolarHBondContact O-N 3.19Å; E1153-Q1157 VanDerWaalsContact O-CB 3.28Å; E1153-Q1157 WeakPolarHBondContact O-CB 3.46Å; E1153-Q1157 PolarHBondContact O-N 3.29Å |
| 1154 | E | 76.6 | Confident | 71.4 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 171 | -63.1 | -161.7 | 153.5 | 0 | 0 | 111.5 | F3 R4 L1149 K1150 E1151 Q1157 F1158 | F3-E1154 HydrophobicContact CD1-CB 4.09Å; F3-E1154 WeakPolarHBondContact CD1-OE2 3.36Å; F3-E1154 HydrophobicContact CE1-CB 4.31Å; R4-E1154 PolarHBondContact N-OE2 2.83Å; L1149-E1154 HydrophobicContact CB-CG 3.73Å; L1149-E1154 HydrophobicContact CD1-CG 4.45Å; K1150-E1154 PolarHBondContact O-N 3.15Å; E1151-E1154 PolarHBondContact O-N 2.86Å; E1154-Q1157 PolarHBondContact O-N 3.49Å; E1154-F1158 PolarHBondContact O-N 2.8Å |
| 1155 | L | 83.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 177.1 | 178.9 | 58.9 | 0 | 0 | 0 | 111.8 | F3 L7 L1124 E1151 Q1157 F1158 L1159 V1185 I1193 | F3-L1155 HydrophobicContact CE1-CB 4.19Å; F3-L1155 HydrophobicContact CZ-CB 4.43Å; L7-L1155 HydrophobicContact CD1-CD1 4Å; L7-L1155 HydrophobicContact CD2-CD1 3.82Å; L1124-L1155 HydrophobicContact CD1-CD1 4.29Å; L1124-L1155 HydrophobicContact CD2-CD2 4.49Å; E1151-L1155 PolarHBondContact O-N 3.47Å; L1155-Q1157 VanDerWaalsContact C-N 3.27Å; L1155-Q1157 PolarHBondContact O-N 3.09Å; L1155-F1158 WeakPolarHBondContact O-CB 3.36Å; L1155-F1158 PolarHBondContact O-N 2.98Å; L1155-L1159 HydrophobicContact CD1-CG 4.5Å; L1155-L1159 WeakPolarHBondContact O-CG 3.39Å; L1155-L1159 PolarHBondContact O-N 2.88Å; L1155-V1185 HydrophobicContact CD2-CG1 3.93Å; L1155-V1185 HydrophobicContact CD2-CG2 4.28Å; L1155-V1185 HydrophobicContact CG-CG1 4.32Å; L1155-I1193 HydrophobicContact CD2-CG2 3.84Å |
| 1156 | L | 84 | Confident | 74.8 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 176.9 | -75.7 | 167 | 0 | 0 | 0 | 112.5 | G1152 L1159 R1160 M1182 V1185 T1186 | G1152-L1156 VanDerWaalsContact O-CB 3.3Å; G1152-L1156 WeakPolarHBondContact O-CB 3.42Å; G1152-L1156 WeakPolarHBondContact O-CD1 3.2Å; G1152-L1156 WeakPolarHBondContact O-CG 3.37Å; G1152-L1156 PolarHBondContact O-N 2.97Å; L1156-L1159 HydrophobicContact CD2-CD1 4.48Å; L1156-R1160 VanDerWaalsContact O-CG 3.29Å; L1156-R1160 WeakPolarHBondContact O-CG 3.26Å; L1156-R1160 PolarHBondContact O-N 3.49Å; L1156-M1182 HydrophobicContact CD2-CB 4.29Å; L1156-M1182 HydrophobicContact CD2-CG 4.29Å; L1156-V1185 HydrophobicContact CD2-CB 4.08Å; L1156-V1185 HydrophobicContact CD2-CG1 3.85Å; L1156-V1185 HydrophobicContact CG-CG1 3.9Å; L1156-T1186 HydrophobicContact CD1-CG2 3.72Å; L1156-T1186 HydrophobicContact CD2-CG2 3.98Å |
| 1157 | Q | 80 | Confident | 76.5 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.1 | -35.4 | 176.6 | -165.3 | 63.8 | 10.1 | 0 | 0 | 112.3 | L1143 E1153 E1154 L1155 R1160 T1161 | L1143-Q1157 HydrophobicContact CD2-CG 3.75Å; E1153-Q1157 VanDerWaalsContact O-CB 3.28Å; E1153-Q1157 WeakPolarHBondContact O-CB 3.46Å; E1153-Q1157 PolarHBondContact O-N 3.29Å; E1154-Q1157 PolarHBondContact O-N 3.49Å; L1155-Q1157 VanDerWaalsContact C-N 3.27Å; L1155-Q1157 PolarHBondContact O-N 3.09Å; Q1157-R1160 PolarHBondContact O-N 3.12Å; Q1157-T1161 PolarHBondContact O-N 3.26Å; Q1157-T1161 VanDerWaalsContact O-N 3.13Å; Q1157-T1161 PolarHBondContact O-OG1 2.94Å |
| 1158 | F | 82.1 | Confident | 77.9 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 168.6 | -178.2 | -111.5 | 0 | 0 | 0 | 111.2 | L7 L8 L1128 L1136 L1140 E1154 L1155 R1160 T1161 M1162 | L7-F1158 HydrophobicContact CD2-CB 4.41Å; L7-F1158 HydrophobicContact CD2-CD1 4.1Å; L7-F1158 HydrophobicContact CD2-CG 4.33Å; L8-F1158 HydrophobicContact CD2-CE2 4.38Å; L1128-F1158 HydrophobicContact CD2-CE1 3.83Å; L1136-F1158 HydrophobicContact CD1-CE2 3.89Å; L1136-F1158 HydrophobicContact CD1-CZ 4.4Å; L1140-F1158 HydrophobicContact CD1-CD2 4.04Å; L1140-F1158 HydrophobicContact CD1-CE2 3.98Å; L1140-F1158 HydrophobicContact CD2-CD2 3.99Å; E1154-F1158 PolarHBondContact O-N 2.8Å; L1155-F1158 WeakPolarHBondContact O-CB 3.36Å; L1155-F1158 PolarHBondContact O-N 2.98Å; F1158-R1160 VanDerWaalsContact C-N 3.32Å; F1158-R1160 PolarHBondContact O-N 3.36Å; F1158-T1161 PolarHBondContact O-N 3.13Å; F1158-T1161 VanDerWaalsContact O-N 3.1Å; F1158-M1162 HydrophobicContact CD1-CE 3.37Å; F1158-M1162 HydrophobicContact CD1-SD 4.06Å; F1158-M1162 HydrophobicContact CE1-CE 3.29Å; F1158-M1162 HydrophobicContact CE1-SD 3.46Å; F1158-M1162 WeakPolarHBondContact CE1-SD 3.49Å; F1158-M1162 HydrophobicContact CE2-SD 4.23Å; F1158-M1162 HydrophobicContact CG-CE 4.14Å; F1158-M1162 HydrophobicContact CZ-CE 4.01Å; F1158-M1162 HydrophobicContact CZ-SD 3.55Å; F1158-M1162 VanDerWaalsContact CZ-SD 3.55Å; F1158-M1162 PolarHBondContact O-N 3.37Å; F1158-M1162 VanDerWaalsContact O-N 3.12Å |
| 1159 | L | 85.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -41.6 | 174.7 | -64.9 | -172.8 | 0 | 0 | 0 | 112.4 | L1127 L1155 L1156 T1161 M1162 L1163 L1178 L1181 M1182 V1185 | L1127-L1159 HydrophobicContact CD1-CD2 4.07Å; L1155-L1159 HydrophobicContact CD1-CG 4.5Å; L1155-L1159 WeakPolarHBondContact O-CG 3.39Å; L1155-L1159 PolarHBondContact O-N 2.88Å; L1156-L1159 HydrophobicContact CD2-CD1 4.48Å; L1159-T1161 PolarHBondContact O-N 2.95Å; L1159-M1162 HydrophobicContact CD2-CE 3.48Å; L1159-M1162 VanDerWaalsContact CD2-CE 3.48Å; L1159-M1162 HydrophobicContact CG-CE 4.48Å; L1159-M1162 PolarHBondContact O-N 3.42Å; L1159-L1163 PolarHBondContact O-N 3.33Å; L1159-L1178 HydrophobicContact CB-CD2 4.48Å; L1159-L1178 HydrophobicContact CD2-CD2 4.37Å; L1159-L1178 WeakPolarHBondContact O-CD2 3.47Å; L1159-L1181 HydrophobicContact CD1-CD2 4.12Å; L1159-L1181 HydrophobicContact CD1-CG 4.03Å; L1159-L1181 HydrophobicContact CD2-CD2 3.92Å; L1159-M1182 HydrophobicContact CB-CG 3.56Å; L1159-M1182 HydrophobicContact CB-SD 4Å; L1159-M1182 HydrophobicContact CD1-CB 4.45Å; L1159-M1182 HydrophobicContact CD1-CG 3.63Å; L1159-M1182 HydrophobicContact CG-CG 4.24Å; L1159-V1185 HydrophobicContact CD1-CB 4.45Å; L1159-V1185 HydrophobicContact CD1-CG2 4.09Å |
| 1160 | R | 85.6 | Confident | 80.1 | Confident | 121 Ų | 121 | 55.2 Ų | 55.2 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 175.7 | -75.6 | 171.3 | -168.6 | 134.3 | 4.9 | 113.6 | L1156 Q1157 F1158 M1162 L1163 A1164 M1182 | L1156-R1160 VanDerWaalsContact O-CG 3.29Å; L1156-R1160 WeakPolarHBondContact O-CG 3.26Å; L1156-R1160 PolarHBondContact O-N 3.49Å; Q1157-R1160 PolarHBondContact O-N 3.12Å; F1158-R1160 VanDerWaalsContact C-N 3.32Å; F1158-R1160 PolarHBondContact O-N 3.36Å; R1160-M1162 VanDerWaalsContact C-N 3.34Å; R1160-L1163 PolarHBondContact O-N 3.41Å; R1160-A1164 PolarHBondContact O-N 3.1Å; R1160-M1182 HydrophobicContact CG-CE 3.58Å; R1160-M1182 HydrophobicContact CG-SD 4.16Å |
| 1161 | T | 81.3 | Confident | 80.7 | Confident | 27 Ų | 27 | 50 Ų | 50 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | L1140 Q1157 F1158 L1159 A1164 D1165 | L1140-T1161 HydrophobicContact CD2-CG2 4.34Å; Q1157-T1161 PolarHBondContact O-N 3.26Å; Q1157-T1161 VanDerWaalsContact O-N 3.13Å; Q1157-T1161 PolarHBondContact O-OG1 2.94Å; F1158-T1161 PolarHBondContact O-N 3.13Å; F1158-T1161 VanDerWaalsContact O-N 3.1Å; L1159-T1161 PolarHBondContact O-N 2.95Å; T1161-A1164 PolarHBondContact O-N 3.47Å; T1161-D1165 PolarHBondContact O-N 3.12Å |
| 1162 | M | 79 | Confident | 81.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70 | -37.3 | 173 | -62.6 | -178.1 | -61.3 | 0 | 0 | 112.6 | L1127 V1131 L1136 F1158 L1159 R1160 A1164 D1165 T1166 L1178 | L1127-M1162 HydrophobicContact CD2-CE 3.5Å; L1127-M1162 VanDerWaalsContact CD2-CE 3.5Å; L1127-M1162 HydrophobicContact CD2-SD 3.7Å; V1131-M1162 HydrophobicContact CB-SD 4.04Å; V1131-M1162 HydrophobicContact CG1-CG 4.22Å; V1131-M1162 HydrophobicContact CG1-SD 3.72Å; V1131-M1162 HydrophobicContact CG2-SD 3.7Å; L1136-M1162 HydrophobicContact CD1-CG 3.93Å; L1136-M1162 HydrophobicContact CD2-CG 4.21Å; F1158-M1162 HydrophobicContact CD1-CE 3.37Å; F1158-M1162 HydrophobicContact CD1-SD 4.06Å; F1158-M1162 HydrophobicContact CE1-CE 3.29Å; F1158-M1162 HydrophobicContact CE1-SD 3.46Å; F1158-M1162 WeakPolarHBondContact CE1-SD 3.49Å; F1158-M1162 HydrophobicContact CE2-SD 4.23Å; F1158-M1162 HydrophobicContact CG-CE 4.14Å; F1158-M1162 HydrophobicContact CZ-CE 4.01Å; F1158-M1162 HydrophobicContact CZ-SD 3.55Å; F1158-M1162 VanDerWaalsContact CZ-SD 3.55Å; F1158-M1162 PolarHBondContact O-N 3.37Å; F1158-M1162 VanDerWaalsContact O-N 3.12Å; L1159-M1162 HydrophobicContact CD2-CE 3.48Å; L1159-M1162 VanDerWaalsContact CD2-CE 3.48Å; L1159-M1162 HydrophobicContact CG-CE 4.48Å; L1159-M1162 PolarHBondContact O-N 3.42Å; R1160-M1162 VanDerWaalsContact C-N 3.34Å; M1162-A1164 VanDerWaalsContact C-N 3.34Å; M1162-A1164 PolarHBondContact O-N 3.36Å; M1162-D1165 PolarHBondContact O-N 3.1Å; M1162-T1166 WeakPolarHBondContact O-CG2 3.35Å; M1162-T1166 PolarHBondContact O-N 2.98Å; M1162-T1166 PolarHBondContact O-OG1 3.4Å; M1162-L1178 HydrophobicContact CB-CD1 4.33Å; M1162-L1178 HydrophobicContact CB-CD2 3.85Å; M1162-L1178 HydrophobicContact CE-CD2 4.32Å |
| 1163 | L | 83.4 | Confident | 81.7 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 173.6 | -178.3 | 59.9 | 0 | 0 | 0 | 111.2 | L1159 R1160 D1165 T1166 V1167 S1175 L1178 E1179 M1182 | L1159-L1163 PolarHBondContact O-N 3.33Å; R1160-L1163 PolarHBondContact O-N 3.41Å; L1163-D1165 VanDerWaalsContact C-N 3.34Å; L1163-D1165 PolarHBondContact O-N 3.49Å; L1163-T1166 PolarHBondContact O-N 3.33Å; L1163-T1166 PolarHBondContact O-OG1 2.92Å; L1163-V1167 HydrophobicContact CD1-CG2 4.26Å; L1163-V1167 VanDerWaalsContact O-CG2 3.3Å; L1163-V1167 WeakPolarHBondContact O-CG2 3.32Å; L1163-V1167 PolarHBondContact O-N 2.93Å; L1163-S1175 WeakPolarHBondContact CD1-OG 3.38Å; L1163-L1178 HydrophobicContact CB-CB 4.34Å; L1163-L1178 HydrophobicContact CB-CD2 4.49Å; L1163-L1178 HydrophobicContact CD1-CB 3.9Å; L1163-E1179 HydrophobicContact CD1-CG 3.95Å; L1163-E1179 HydrophobicContact CD2-CG 3.85Å; L1163-M1182 HydrophobicContact CB-SD 4.5Å; L1163-M1182 HydrophobicContact CD2-SD 3.99Å |
| 1164 | A | 83.3 | Confident | 81.8 | Confident | 59 Ų | 59 | 57 Ų | 57 | 49% | 0.488 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1160 T1161 M1162 V1167 V1168 | R1160-A1164 PolarHBondContact O-N 3.1Å; T1161-A1164 PolarHBondContact O-N 3.47Å; M1162-A1164 VanDerWaalsContact C-N 3.34Å; M1162-A1164 PolarHBondContact O-N 3.36Å; A1164-V1167 PolarHBondContact O-N 2.98Å; A1164-V1168 VanDerWaalsContact O-CG2 3.32Å; A1164-V1168 WeakPolarHBondContact O-CG2 3.49Å; A1164-V1168 PolarHBondContact O-N 2.92Å; A1164-V1168 VanDerWaalsContact O-N 3.09Å |
| 1165 | D | 81 | Confident | 82.2 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.3 | -173.1 | 65.4 | 0 | 0 | 0 | 112.8 | L1136 T1161 M1162 L1163 V1167 V1168 T1169 | L1136-D1165 HydrophobicContact CD2-CB 4.12Å; T1161-D1165 PolarHBondContact O-N 3.12Å; M1162-D1165 PolarHBondContact O-N 3.1Å; L1163-D1165 VanDerWaalsContact C-N 3.34Å; L1163-D1165 PolarHBondContact O-N 3.49Å; D1165-V1167 VanDerWaalsContact C-N 3.31Å; D1165-V1167 PolarHBondContact O-N 2.89Å; D1165-V1168 PolarHBondContact O-N 3.02Å; D1165-V1168 VanDerWaalsContact O-N 3.12Å; D1165-T1169 PolarHBondContact O-N 3.22Å; D1165-T1169 PolarHBondContact O-OG1 3.21Å |
| 1166 | T | 81.8 | Confident | 82.3 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -28.7 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | M1162 L1163 T1169 E1170 A1171 L1174 L1178 | M1162-T1166 WeakPolarHBondContact O-CG2 3.35Å; M1162-T1166 PolarHBondContact O-N 2.98Å; M1162-T1166 PolarHBondContact O-OG1 3.4Å; L1163-T1166 PolarHBondContact O-N 3.33Å; L1163-T1166 PolarHBondContact O-OG1 2.92Å; T1166-T1169 WeakPolarHBondContact CA-OG1 3.2Å; T1166-T1169 PolarHBondContact O-OG1 3.19Å; T1166-E1170 PolarHBondContact O-N 3.47Å; T1166-A1171 PolarHBondContact O-N 2.7Å; T1166-L1174 HydrophobicContact CG2-CB 4.27Å; T1166-L1174 HydrophobicContact CG2-CD2 3.6Å; T1166-L1174 HydrophobicContact CG2-CG 3.86Å; T1166-L1178 HydrophobicContact CG2-CD1 3.54Å; T1166-L1178 WeakPolarHBondContact OG1-CD1 3.47Å |
| 1167 | V | 83.1 | Confident | 82.2 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.8 | -38 | 170.7 | 170 | 0 | 0 | 0 | 0 | 111.2 | L1163 A1164 D1165 E1170 | L1163-V1167 HydrophobicContact CD1-CG2 4.26Å; L1163-V1167 VanDerWaalsContact O-CG2 3.3Å; L1163-V1167 WeakPolarHBondContact O-CG2 3.32Å; L1163-V1167 PolarHBondContact O-N 2.93Å; A1164-V1167 PolarHBondContact O-N 2.98Å; D1165-V1167 VanDerWaalsContact C-N 3.31Å; D1165-V1167 PolarHBondContact O-N 2.89Å; V1167-E1170 PolarHBondContact O-N 3.49Å |
| 1168 | V | 83.2 | Confident | 82.5 | Confident | 121 Ų | 121 | 60.6 Ų | 60.6 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70.7 | -29.9 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 112.7 | A1164 D1165 | A1164-V1168 VanDerWaalsContact O-CG2 3.32Å; A1164-V1168 WeakPolarHBondContact O-CG2 3.49Å; A1164-V1168 PolarHBondContact O-N 2.92Å; A1164-V1168 VanDerWaalsContact O-N 3.09Å; D1165-V1168 PolarHBondContact O-N 3.02Å; D1165-V1168 VanDerWaalsContact O-N 3.12Å |
| 1169 | T | 80 | Confident | 82.7 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.7 | 176.5 | 53.3 | 0 | 0 | 0 | 0 | 114 | D1165 T1166 A1171 | D1165-T1169 PolarHBondContact O-N 3.22Å; D1165-T1169 PolarHBondContact O-OG1 3.21Å; T1166-T1169 WeakPolarHBondContact CA-OG1 3.2Å; T1166-T1169 PolarHBondContact O-OG1 3.19Å; T1169-A1171 PolarHBondContact O-N 2.79Å; T1169-A1171 VanDerWaalsContact O-N 3.13Å |
| 1170 | E | 79.6 | Confident | 82.7 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 71% | 0.71 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 22.4 | -177.3 | -57.3 | -161 | 168.3 | 0 | 0 | 115.7 | T1166 V1167 K1172 | T1166-E1170 PolarHBondContact O-N 3.47Å; V1167-E1170 PolarHBondContact O-N 3.49Å; E1170-K1172 PolarHBondContact O-N 3.27Å |
| 1171 | A | 81.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 62 Ų | 62 | 26% | 0.256 | 35% | 0.348 | S | S | . | . | trans | -76.1 | 62.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1166 T1169 S1173 L1174 S1175 | T1166-A1171 PolarHBondContact O-N 2.7Å; T1169-A1171 PolarHBondContact O-N 2.79Å; T1169-A1171 VanDerWaalsContact O-N 3.13Å; A1171-S1173 VanDerWaalsContact C-N 3.29Å; A1171-S1173 PolarHBondContact O-N 2.93Å; A1171-S1173 VanDerWaalsContact O-N 3.11Å; A1171-L1174 HydrophobicContact CB-CB 4.26Å; A1171-L1174 PolarHBondContact O-N 2.85Å; A1171-S1175 PolarHBondContact O-N 3.02Å | ||
| 1172 | K | 82.6 | Confident | 83.1 | Confident | 155 Ų | 155 | 62.3 Ų | 62.3 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -49.4 | -41.1 | -171.1 | -68.4 | 169.1 | -170.9 | 168.6 | 0 | 114.3 | E1170 S1175 V1176 | E1170-K1172 PolarHBondContact O-N 3.27Å; K1172-S1175 PolarHBondContact O-N 2.81Å; K1172-V1176 WeakPolarHBondContact O-CG2 3.2Å; K1172-V1176 PolarHBondContact O-N 2.9Å |
| 1173 | S | 82.1 | Confident | 83.5 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | 178.1 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | A1171 Q1177 | A1171-S1173 VanDerWaalsContact C-N 3.29Å; A1171-S1173 PolarHBondContact O-N 2.93Å; A1171-S1173 VanDerWaalsContact O-N 3.11Å; S1173-Q1177 WeakPolarHBondContact O-CG 3.44Å; S1173-Q1177 PolarHBondContact O-N 3.19Å |
| 1174 | L | 80.1 | Confident | 83.6 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.5 | -35.5 | 178 | -169.2 | 58.6 | 0 | 0 | 0 | 111.4 | T1166 A1171 V1176 Q1177 L1178 | T1166-L1174 HydrophobicContact CG2-CB 4.27Å; T1166-L1174 HydrophobicContact CG2-CD2 3.6Å; T1166-L1174 HydrophobicContact CG2-CG 3.86Å; A1171-L1174 HydrophobicContact CB-CB 4.26Å; A1171-L1174 PolarHBondContact O-N 2.85Å; L1174-V1176 PolarHBondContact O-N 3.05Å; L1174-Q1177 PolarHBondContact O-N 3.25Å; L1174-L1178 HydrophobicContact CG-CD1 4.12Å; L1174-L1178 WeakPolarHBondContact O-CB 3.26Å; L1174-L1178 PolarHBondContact O-N 3Å |
| 1175 | S | 83.8 | Confident | 83.7 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56 | -47 | 172.4 | -171.8 | 0 | 0 | 0 | 0 | 112 | L1163 A1171 K1172 Q1177 L1178 E1179 | L1163-S1175 WeakPolarHBondContact CD1-OG 3.38Å; A1171-S1175 PolarHBondContact O-N 3.02Å; K1172-S1175 PolarHBondContact O-N 2.81Å; S1175-Q1177 VanDerWaalsContact C-N 3.34Å; S1175-Q1177 PolarHBondContact O-N 3.2Å; S1175-L1178 WeakPolarHBondContact O-CB 3.38Å; S1175-L1178 PolarHBondContact O-N 3.19Å; S1175-E1179 PolarHBondContact O-N 2.88Å |
| 1176 | V | 85.5 | Confident | 83.9 | Confident | 95 Ų | 95 | 66 Ų | 66 | 58% | 0.576 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | K1172 L1174 D1180 | K1172-V1176 WeakPolarHBondContact O-CG2 3.2Å; K1172-V1176 PolarHBondContact O-N 2.9Å; L1174-V1176 PolarHBondContact O-N 3.05Å; V1176-D1180 PolarHBondContact O-N 3.35Å; V1176-D1180 VanDerWaalsContact O-N 3.1Å |
| 1177 | Q | 82.6 | Confident | 84 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 175.1 | -69.5 | 174.3 | 19.4 | 0 | 0 | 112.4 | S1173 L1174 S1175 L1181 | S1173-Q1177 WeakPolarHBondContact O-CG 3.44Å; S1173-Q1177 PolarHBondContact O-N 3.19Å; L1174-Q1177 PolarHBondContact O-N 3.25Å; S1175-Q1177 VanDerWaalsContact C-N 3.34Å; S1175-Q1177 PolarHBondContact O-N 3.2Å; Q1177-L1181 VanDerWaalsContact O-CB 3.24Å; Q1177-L1181 WeakPolarHBondContact O-CB 3.48Å; Q1177-L1181 PolarHBondContact O-N 2.96Å |
| 1178 | L | 85.2 | Confident | 84 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 174.3 | -90.4 | 150 | 0 | 0 | 0 | 111.9 | L1127 L1159 M1162 L1163 T1166 L1174 S1175 L1181 M1182 | L1127-L1178 HydrophobicContact CD1-CD2 3.64Å; L1127-L1178 HydrophobicContact CD1-CG 3.83Å; L1127-L1178 HydrophobicContact CD2-CD2 4.38Å; L1127-L1178 HydrophobicContact CG-CD2 4.45Å; L1127-L1178 HydrophobicContact CG-CG 4.49Å; L1159-L1178 HydrophobicContact CB-CD2 4.48Å; L1159-L1178 HydrophobicContact CD2-CD2 4.37Å; L1159-L1178 WeakPolarHBondContact O-CD2 3.47Å; M1162-L1178 HydrophobicContact CB-CD1 4.33Å; M1162-L1178 HydrophobicContact CB-CD2 3.85Å; M1162-L1178 HydrophobicContact CE-CD2 4.32Å; L1163-L1178 HydrophobicContact CB-CB 4.34Å; L1163-L1178 HydrophobicContact CB-CD2 4.49Å; L1163-L1178 HydrophobicContact CD1-CB 3.9Å; T1166-L1178 HydrophobicContact CG2-CD1 3.54Å; T1166-L1178 WeakPolarHBondContact OG1-CD1 3.47Å; L1174-L1178 HydrophobicContact CG-CD1 4.12Å; L1174-L1178 WeakPolarHBondContact O-CB 3.26Å; L1174-L1178 PolarHBondContact O-N 3Å; S1175-L1178 WeakPolarHBondContact O-CB 3.38Å; S1175-L1178 PolarHBondContact O-N 3.19Å; L1178-L1181 PolarHBondContact O-N 3.25Å; L1178-M1182 WeakPolarHBondContact O-CB 3.45Å; L1178-M1182 VanDerWaalsContact O-CG 3.31Å; L1178-M1182 WeakPolarHBondContact O-CG 3.34Å; L1178-M1182 PolarHBondContact O-N 2.94Å |
| 1179 | E | 86.7 | Confident | 84 | Confident | 113 Ų | 113 | 63.5 Ų | 63.5 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 177.5 | -71.7 | -176.8 | 161.6 | 0 | 0 | 112.3 | L1163 S1175 M1182 R1183 | L1163-E1179 HydrophobicContact CD1-CG 3.95Å; L1163-E1179 HydrophobicContact CD2-CG 3.85Å; S1175-E1179 PolarHBondContact O-N 2.88Å; E1179-M1182 PolarHBondContact O-N 2.71Å; E1179-R1183 PolarHBondContact O-N 2.92Å |
| 1180 | D | 86.3 | Confident | 84 | Confident | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.8 | -34.4 | 177.9 | -171.9 | 57.4 | 0 | 0 | 0 | 112.7 | K1123 V1176 R1183 L1184 | K1123-D1180 IonicContact NZ-OD2 3.93Å; K1123-D1180 PolarHBondContact NZ-OD2 3.38Å; V1176-D1180 PolarHBondContact O-N 3.35Å; V1176-D1180 VanDerWaalsContact O-N 3.1Å; D1180-R1183 WeakPolarHBondContact O-CB 3.21Å; D1180-R1183 PolarHBondContact O-N 2.88Å; D1180-R1183 IonicContact OD1-CZ 3.4Å; D1180-R1183 IonicContact OD1-NE 3.75Å; D1180-R1183 PolarHBondContact OD1-NE 2.99Å; D1180-R1183 IonicContact OD1-NH2 2.65Å; D1180-R1183 PolarHBondContact OD1-NH2 2.87Å; D1180-R1183 IonicContact OD2-NH2 3.37Å; D1180-L1184 WeakPolarHBondContact O-CG 3.31Å; D1180-L1184 PolarHBondContact O-N 3.32Å |
| 1181 | L | 88.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 171.5 | 179.8 | 64.3 | 0 | 0 | 0 | 111.6 | K1123 L1124 L1127 L1159 Q1177 L1178 R1183 L1184 V1185 | K1123-L1181 HydrophobicContact CB-CB 4.48Å; K1123-L1181 HydrophobicContact CB-CD1 3.91Å; L1124-L1181 HydrophobicContact CB-CD1 4.2Å; L1124-L1181 HydrophobicContact CB-CD2 4.22Å; L1124-L1181 HydrophobicContact CD1-CD2 3.89Å; L1127-L1181 HydrophobicContact CB-CD2 4.45Å; L1127-L1181 HydrophobicContact CD1-CD2 3.41Å; L1127-L1181 VanDerWaalsContact CD1-CD2 3.41Å; L1159-L1181 HydrophobicContact CD1-CD2 4.12Å; L1159-L1181 HydrophobicContact CD1-CG 4.03Å; L1159-L1181 HydrophobicContact CD2-CD2 3.92Å; Q1177-L1181 VanDerWaalsContact O-CB 3.24Å; Q1177-L1181 WeakPolarHBondContact O-CB 3.48Å; Q1177-L1181 PolarHBondContact O-N 2.96Å; L1178-L1181 PolarHBondContact O-N 3.25Å; L1181-R1183 VanDerWaalsContact C-N 3.29Å; L1181-R1183 PolarHBondContact O-N 3.11Å; L1181-L1184 PolarHBondContact O-N 2.93Å; L1181-L1184 VanDerWaalsContact O-N 3.12Å; L1181-V1185 HydrophobicContact CD1-CG2 3.99Å; L1181-V1185 HydrophobicContact CG-CG2 4.17Å; L1181-V1185 WeakPolarHBondContact O-CG2 3.42Å; L1181-V1185 PolarHBondContact O-N 2.82Å |
| 1182 | M | 87.3 | Confident | 84.2 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 16% | 0.163 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 174.2 | -78.4 | 175.1 | 51.9 | 0 | 0 | 111.1 | L1156 L1159 R1160 L1163 L1178 E1179 L1184 V1185 T1186 | L1156-M1182 HydrophobicContact CD2-CB 4.29Å; L1156-M1182 HydrophobicContact CD2-CG 4.29Å; L1159-M1182 HydrophobicContact CB-CG 3.56Å; L1159-M1182 HydrophobicContact CB-SD 4Å; L1159-M1182 HydrophobicContact CD1-CB 4.45Å; L1159-M1182 HydrophobicContact CD1-CG 3.63Å; L1159-M1182 HydrophobicContact CG-CG 4.24Å; R1160-M1182 HydrophobicContact CG-CE 3.58Å; R1160-M1182 HydrophobicContact CG-SD 4.16Å; L1163-M1182 HydrophobicContact CB-SD 4.5Å; L1163-M1182 HydrophobicContact CD2-SD 3.99Å; L1178-M1182 WeakPolarHBondContact O-CB 3.45Å; L1178-M1182 VanDerWaalsContact O-CG 3.31Å; L1178-M1182 WeakPolarHBondContact O-CG 3.34Å; L1178-M1182 PolarHBondContact O-N 2.94Å; E1179-M1182 PolarHBondContact O-N 2.71Å; M1182-L1184 VanDerWaalsContact C-N 3.34Å; M1182-L1184 PolarHBondContact O-N 3.5Å; M1182-V1185 PolarHBondContact O-N 3.21Å; M1182-T1186 WeakPolarHBondContact O-CG2 3.35Å; M1182-T1186 PolarHBondContact O-N 3.32Å; M1182-T1186 VanDerWaalsContact O-N 3.12Å; M1182-T1186 PolarHBondContact O-OG1 3.33Å |
| 1183 | R | 87 | Confident | 84.3 | Confident | 124 Ų | 124 | 52.1 Ų | 52.1 | 47% | 0.468 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 173.2 | -175.8 | -168.4 | 68 | 80 | -0.8 | 112.7 | E1179 D1180 L1181 T1186 | E1179-R1183 PolarHBondContact O-N 2.92Å; D1180-R1183 WeakPolarHBondContact O-CB 3.21Å; D1180-R1183 PolarHBondContact O-N 2.88Å; D1180-R1183 IonicContact OD1-CZ 3.4Å; D1180-R1183 IonicContact OD1-NE 3.75Å; D1180-R1183 PolarHBondContact OD1-NE 2.99Å; D1180-R1183 IonicContact OD1-NH2 2.65Å; D1180-R1183 PolarHBondContact OD1-NH2 2.87Å; D1180-R1183 IonicContact OD2-NH2 3.37Å; L1181-R1183 VanDerWaalsContact C-N 3.29Å; L1181-R1183 PolarHBondContact O-N 3.11Å; R1183-T1186 PolarHBondContact O-OG1 2.86Å |
| 1184 | L | 84.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72 | -42.3 | 177 | -71.2 | 170.7 | 0 | 0 | 0 | 111.9 | Y1105 D1119 A1120 K1123 D1180 L1181 M1182 T1186 M1187 F1188 | Y1105-L1184 HydrophobicContact CE1-CD2 3.77Å; Y1105-L1184 WeakPolarHBondContact OH-CD2 3.43Å; D1119-L1184 HydrophobicContact CB-CD1 4.25Å; A1120-L1184 HydrophobicContact CB-CB 4.26Å; K1123-L1184 HydrophobicContact CD-CD1 3.65Å; D1180-L1184 WeakPolarHBondContact O-CG 3.31Å; D1180-L1184 PolarHBondContact O-N 3.32Å; L1181-L1184 PolarHBondContact O-N 2.93Å; L1181-L1184 VanDerWaalsContact O-N 3.12Å; M1182-L1184 VanDerWaalsContact C-N 3.34Å; M1182-L1184 PolarHBondContact O-N 3.5Å; L1184-T1186 VanDerWaalsContact C-N 3.3Å; L1184-T1186 PolarHBondContact O-N 2.96Å; L1184-M1187 HydrophobicContact CD2-SD 4.18Å; L1184-M1187 VanDerWaalsContact O-CB 3.31Å; L1184-M1187 WeakPolarHBondContact O-CB 3.43Å; L1184-M1187 WeakPolarHBondContact O-CG 3.44Å; L1184-M1187 PolarHBondContact O-N 3.46Å; L1184-F1188 WeakPolarHBondContact O-CD2 3.44Å; L1184-F1188 VanDerWaalsContact O-CE2 3.22Å; L1184-F1188 WeakPolarHBondContact O-CE2 3.48Å |
| 1185 | V | 84.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -34.9 | 179.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | L1155 L1156 L1159 L1181 M1182 M1187 F1188 I1193 | L1155-V1185 HydrophobicContact CD2-CG1 3.93Å; L1155-V1185 HydrophobicContact CD2-CG2 4.28Å; L1155-V1185 HydrophobicContact CG-CG1 4.32Å; L1156-V1185 HydrophobicContact CD2-CB 4.08Å; L1156-V1185 HydrophobicContact CD2-CG1 3.85Å; L1156-V1185 HydrophobicContact CG-CG1 3.9Å; L1159-V1185 HydrophobicContact CD1-CB 4.45Å; L1159-V1185 HydrophobicContact CD1-CG2 4.09Å; L1181-V1185 HydrophobicContact CD1-CG2 3.99Å; L1181-V1185 HydrophobicContact CG-CG2 4.17Å; L1181-V1185 WeakPolarHBondContact O-CG2 3.42Å; L1181-V1185 PolarHBondContact O-N 2.82Å; M1182-V1185 PolarHBondContact O-N 3.21Å; V1185-M1187 PolarHBondContact O-N 2.89Å; V1185-M1187 VanDerWaalsContact O-N 3.15Å; V1185-F1188 PolarHBondContact O-N 3.46Å; V1185-F1188 VanDerWaalsContact O-N 3.17Å; V1185-I1193 HydrophobicContact CG1-CD1 3.98Å |
| 1186 | T | 86 | Confident | 84.7 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.1 | 174.6 | 55 | 0 | 0 | 0 | 0 | 114.6 | L1156 M1182 R1183 L1184 | L1156-T1186 HydrophobicContact CD1-CG2 3.72Å; L1156-T1186 HydrophobicContact CD2-CG2 3.98Å; M1182-T1186 WeakPolarHBondContact O-CG2 3.35Å; M1182-T1186 PolarHBondContact O-N 3.32Å; M1182-T1186 VanDerWaalsContact O-N 3.12Å; M1182-T1186 PolarHBondContact O-OG1 3.33Å; R1183-T1186 PolarHBondContact O-OG1 2.86Å; L1184-T1186 VanDerWaalsContact C-N 3.3Å; L1184-T1186 PolarHBondContact O-N 2.96Å |
| 1187 | M | 83.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 52 Ų | 52 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -19.5 | 173.3 | -54.4 | -172.2 | 74.7 | 0 | 0 | 113 | Y1105 F1106 L1184 V1185 | Y1105-M1187 HydrophobicContact CE1-SD 4.48Å; F1106-M1187 HydrophobicContact CB-CE 3.47Å; F1106-M1187 VanDerWaalsContact CB-CE 3.47Å; F1106-M1187 HydrophobicContact CD2-CB 4.02Å; F1106-M1187 HydrophobicContact CD2-CE 4.42Å; F1106-M1187 HydrophobicContact CE2-CB 4.17Å; F1106-M1187 WeakPolarHBondContact CE2-O 3.44Å; F1106-M1187 HydrophobicContact CG-CE 3.95Å; F1106-M1187 WeakPolarHBondContact CZ-O 3.25Å; L1184-M1187 HydrophobicContact CD2-SD 4.18Å; L1184-M1187 VanDerWaalsContact O-CB 3.31Å; L1184-M1187 WeakPolarHBondContact O-CB 3.43Å; L1184-M1187 WeakPolarHBondContact O-CG 3.44Å; L1184-M1187 PolarHBondContact O-N 3.46Å; V1185-M1187 PolarHBondContact O-N 2.89Å; V1185-M1187 VanDerWaalsContact O-N 3.15Å |
| 1188 | F | 84.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -101.1 | 141.5 | -171.9 | -61.4 | -80.7 | 0 | 0 | 0 | 112.8 | F1106 V1111 A1116 F1117 A1120 L1184 V1185 I1193 | F1106-F1188 HydrophobicContact CD2-CD1 4.42Å; F1106-F1188 AromaticContact CD2-CE1 3.91Å; F1106-F1188 HydrophobicContact CD2-CE1 3.91Å; F1106-F1188 HydrophobicContact CD2-CZ 4.17Å; F1106-F1188 AromaticContact CE2-CD1 3.74Å; F1106-F1188 HydrophobicContact CE2-CD1 3.74Å; F1106-F1188 AromaticContact CE2-CE1 3.66Å; F1106-F1188 HydrophobicContact CE2-CE1 3.66Å; F1106-F1188 HydrophobicContact CE2-CG 4.41Å; F1106-F1188 HydrophobicContact CE2-CZ 4.28Å; V1111-F1188 HydrophobicContact CG1-CD1 3.57Å; V1111-F1188 HydrophobicContact CG1-CE1 3.73Å; A1116-F1188 HydrophobicContact CB-CZ 4.03Å; F1117-F1188 HydrophobicContact CB-CE1 3.96Å; F1117-F1188 HydrophobicContact CB-CZ 4.05Å; F1117-F1188 HydrophobicContact CD2-CD1 4.31Å; F1117-F1188 AromaticContact CD2-CE1 3.81Å; F1117-F1188 HydrophobicContact CD2-CE1 3.81Å; F1117-F1188 HydrophobicContact CD2-CZ 4.38Å; F1117-F1188 HydrophobicContact CG-CE1 4.39Å; A1120-F1188 HydrophobicContact CB-CE2 3.8Å; A1120-F1188 HydrophobicContact CB-CZ 4.3Å; L1184-F1188 WeakPolarHBondContact O-CD2 3.44Å; L1184-F1188 VanDerWaalsContact O-CE2 3.22Å; L1184-F1188 WeakPolarHBondContact O-CE2 3.48Å; V1185-F1188 PolarHBondContact O-N 3.46Å; V1185-F1188 VanDerWaalsContact O-N 3.17Å; F1188-I1193 HydrophobicContact CB-CD1 4.34Å; F1188-I1193 HydrophobicContact CB-CG1 3.73Å |
| 1189 | D | 83 | Confident | 84.9 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | trans | -77.1 | 171.6 | 168.9 | 91.2 | -60.8 | 0 | 0 | 0 | 111.4 | K1191 G1192 I1193 | D1189-K1191 VanDerWaalsContact CG-N 3.35Å; D1189-K1191 PolarHBondContact O-N 2.92Å; D1189-K1191 PolarHBondContact OD1-N 2.82Å; D1189-K1191 VanDerWaalsContact OD2-CB 3.26Å; D1189-K1191 WeakPolarHBondContact OD2-CB 3.34Å; D1189-K1191 WeakPolarHBondContact OD2-CG 3.48Å; D1189-K1191 PolarHBondContact OD2-N 3.16Å; D1189-G1192 WeakPolarHBondContact O-CA 3.48Å; D1189-G1192 PolarHBondContact O-N 2.88Å; D1189-G1192 PolarHBondContact OD1-N 3.28Å; D1189-I1193 WeakPolarHBondContact O-CG1 3.44Å; D1189-I1193 PolarHBondContact O-N 3.27Å | ||
| 1190 | A | 79.7 | Confident | 84.7 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.4 | -30 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1151 R1194 | E1151-A1190 WeakPolarHBondContact OE2-CB 3.46Å; A1190-R1194 PolarHBondContact O-N 3.27Å; A1190-R1194 VanDerWaalsContact O-N 3.12Å; A1190-R1194 PolarHBondContact O-NE 3.25Å |
| 1191 | K | 81.5 | Confident | 84.7 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 64% | 0.639 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -73.7 | -41 | 173 | -60.9 | 176.2 | 179.6 | 177 | 0 | 111.6 | D1189 R1194 K1195 | D1189-K1191 VanDerWaalsContact CG-N 3.35Å; D1189-K1191 PolarHBondContact O-N 2.92Å; D1189-K1191 PolarHBondContact OD1-N 2.82Å; D1189-K1191 VanDerWaalsContact OD2-CB 3.26Å; D1189-K1191 WeakPolarHBondContact OD2-CB 3.34Å; D1189-K1191 WeakPolarHBondContact OD2-CG 3.48Å; D1189-K1191 PolarHBondContact OD2-N 3.16Å; K1191-R1194 PolarHBondContact O-N 2.94Å; K1191-K1195 WeakPolarHBondContact O-CG 3.47Å; K1191-K1195 PolarHBondContact O-N 3.34Å |
| 1192 | G | 83.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1189 K1195 L1196 | D1189-G1192 WeakPolarHBondContact O-CA 3.48Å; D1189-G1192 PolarHBondContact O-N 2.88Å; D1189-G1192 PolarHBondContact OD1-N 3.28Å; G1192-K1195 WeakPolarHBondContact O-CB 3.35Å; G1192-K1195 PolarHBondContact O-N 2.97Å; G1192-L1196 WeakPolarHBondContact O-CB 3.41Å; G1192-L1196 PolarHBondContact O-N 3.39Å |
| 1193 | I | 83.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 179.2 | -65.2 | 173.7 | 0 | 0 | 0 | 111.5 | F3 L1155 V1185 F1188 D1189 L1196 L1197 | F3-I1193 HydrophobicContact CE2-CG2 4.32Å; F3-I1193 HydrophobicContact CZ-CG2 3.92Å; L1155-I1193 HydrophobicContact CD2-CG2 3.84Å; V1185-I1193 HydrophobicContact CG1-CD1 3.98Å; F1188-I1193 HydrophobicContact CB-CD1 4.34Å; F1188-I1193 HydrophobicContact CB-CG1 3.73Å; D1189-I1193 WeakPolarHBondContact O-CG1 3.44Å; D1189-I1193 PolarHBondContact O-N 3.27Å; I1193-L1196 WeakPolarHBondContact O-CB 3.41Å; I1193-L1196 PolarHBondContact O-N 3.5Å; I1193-L1197 PolarHBondContact O-N 3.32Å |
| 1194 | R | 82.7 | Confident | 84 | Confident | 128 Ų | 128 | 50.6 Ų | 50.6 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -42 | 169.7 | -94.1 | -178.5 | -76.1 | -153.5 | -20.9 | 113.1 | E1151 A1190 K1191 L1196 K1198 | E1151-R1194 VanDerWaalsContact CD-NE 3.28Å; E1151-R1194 VanDerWaalsContact CD-NH2 3.27Å; E1151-R1194 WeakPolarHBondContact OE1-CD 3.34Å; E1151-R1194 IonicContact OE1-CZ 3.57Å; E1151-R1194 IonicContact OE1-NE 2.76Å; E1151-R1194 PolarHBondContact OE1-NE 3.1Å; E1151-R1194 IonicContact OE1-NH1 3.08Å; E1151-R1194 PolarHBondContact OE1-NH1 3.24Å; E1151-R1194 IonicContact OE1-NH2 2.78Å; E1151-R1194 PolarHBondContact OE1-NH2 3.26Å; E1151-R1194 VanDerWaalsContact OE1-NH2 3.16Å; E1151-R1194 IonicContact OE2-CZ 3.2Å; E1151-R1194 IonicContact OE2-NE 2.86Å; E1151-R1194 PolarHBondContact OE2-NE 3.05Å; E1151-R1194 IonicContact OE2-NH2 3.17Å; E1151-R1194 PolarHBondContact OE2-NH2 3.18Å; A1190-R1194 PolarHBondContact O-N 3.27Å; A1190-R1194 VanDerWaalsContact O-N 3.12Å; A1190-R1194 PolarHBondContact O-NE 3.25Å; K1191-R1194 PolarHBondContact O-N 2.94Å; R1194-L1196 VanDerWaalsContact C-N 3.3Å; R1194-L1196 PolarHBondContact O-N 3.5Å; R1194-K1198 WeakPolarHBondContact O-CB 3.4Å; R1194-K1198 PolarHBondContact O-N 2.96Å |
| 1195 | K | 85.8 | Confident | 83.9 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 45% | 0.452 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 173.1 | -76 | -180 | 176.3 | -172.5 | 0 | 111.2 | T1112 F1117 K1191 G1192 K1198 T1199 | T1112-K1195 HydrophobicContact CG2-CB 4.33Å; T1112-K1195 HydrophobicContact CG2-CD 3.93Å; F1117-K1195 HydrophobicContact CE2-CB 4.31Å; F1117-K1195 HydrophobicContact CZ-CB 4.36Å; K1191-K1195 WeakPolarHBondContact O-CG 3.47Å; K1191-K1195 PolarHBondContact O-N 3.34Å; G1192-K1195 WeakPolarHBondContact O-CB 3.35Å; G1192-K1195 PolarHBondContact O-N 2.97Å; K1195-K1198 PolarHBondContact O-N 3.21Å; K1195-T1199 WeakPolarHBondContact O-CG2 3.41Å; K1195-T1199 PolarHBondContact O-N 2.82Å; K1195-T1199 PolarHBondContact O-OG1 3.44Å |
| 1196 | L | 86.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.1 | -56.8 | 178.3 | -169.1 | 66.5 | 0 | 0 | 0 | 111.1 | F1117 A1120 K1121 L1124 G1192 I1193 R1194 K1198 T1199 M1200 | F1117-L1196 HydrophobicContact CD1-CD1 4.42Å; F1117-L1196 HydrophobicContact CD2-CD1 3.93Å; F1117-L1196 HydrophobicContact CE1-CD1 4.2Å; F1117-L1196 HydrophobicContact CE2-CB 3.82Å; F1117-L1196 HydrophobicContact CE2-CD1 3.69Å; F1117-L1196 HydrophobicContact CE2-CG 4.39Å; F1117-L1196 HydrophobicContact CG-CD1 4.29Å; F1117-L1196 HydrophobicContact CZ-CB 4.2Å; F1117-L1196 HydrophobicContact CZ-CD1 3.84Å; A1120-L1196 HydrophobicContact CB-CD2 4.29Å; K1121-L1196 HydrophobicContact CB-CD1 3.64Å; K1121-L1196 HydrophobicContact CG-CD1 4.18Å; L1124-L1196 HydrophobicContact CD2-CD2 3.74Å; L1124-L1196 HydrophobicContact CD2-CG 4.28Å; G1192-L1196 WeakPolarHBondContact O-CB 3.41Å; G1192-L1196 PolarHBondContact O-N 3.39Å; I1193-L1196 WeakPolarHBondContact O-CB 3.41Å; I1193-L1196 PolarHBondContact O-N 3.5Å; R1194-L1196 VanDerWaalsContact C-N 3.3Å; R1194-L1196 PolarHBondContact O-N 3.5Å; L1196-K1198 PolarHBondContact O-N 3.44Å; L1196-T1199 PolarHBondContact O-N 2.92Å; L1196-T1199 PolarHBondContact O-OG1 2.9Å; L1196-M1200 PolarHBondContact O-N 2.94Å |
| 1197 | L | 84.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 178.7 | -62.1 | -166.8 | 0 | 0 | 0 | 112 | F3 L7 L10 L1124 I1193 T1199 M1200 H1201 | F3-L1197 HydrophobicContact CD2-CD1 4.32Å; F3-L1197 HydrophobicContact CE1-CD1 4.47Å; F3-L1197 HydrophobicContact CE2-CD1 3.43Å; F3-L1197 VanDerWaalsContact CE2-CD1 3.43Å; F3-L1197 HydrophobicContact CE2-CG 4.41Å; F3-L1197 HydrophobicContact CZ-CD1 3.53Å; F3-L1197 HydrophobicContact CZ-CG 4.5Å; L7-L1197 HydrophobicContact CD1-CD1 4.3Å; L7-L1197 HydrophobicContact CD1-CD2 4.3Å; L10-L1197 HydrophobicContact CD2-CD2 4.02Å; L1124-L1197 HydrophobicContact CD2-CD2 3.9Å; I1193-L1197 PolarHBondContact O-N 3.32Å; L1197-T1199 PolarHBondContact O-N 3.04Å; L1197-M1200 WeakPolarHBondContact O-CA 3.49Å; L1197-M1200 WeakPolarHBondContact O-CB 3.46Å; L1197-M1200 PolarHBondContact O-N 3.36Å; L1197-H1201 PolarHBondContact O-CD2 3.04Å; L1197-H1201 PolarHBondContact O-N 3.09Å |
| 1198 | K | 85.3 | Confident | 83.6 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.5 | -46.8 | 175.3 | -179.6 | 169.6 | 179.3 | 175.1 | 0 | 111.7 | R1194 K1195 L1196 M1200 H1201 D1202 | R1194-K1198 WeakPolarHBondContact O-CB 3.4Å; R1194-K1198 PolarHBondContact O-N 2.96Å; K1195-K1198 PolarHBondContact O-N 3.21Å; L1196-K1198 PolarHBondContact O-N 3.44Å; K1198-M1200 PolarHBondContact O-N 3.04Å; K1198-H1201 PolarHBondContact O-N 2.76Å; K1198-H1201 VanDerWaalsContact O-N 3.12Å; K1198-D1202 WeakPolarHBondContact CE-OD2 3.5Å; K1198-D1202 VanDerWaalsContact O-CG 3.29Å; K1198-D1202 PolarHBondContact O-N 3.3Å |
| 1199 | T | 86.6 | Confident | 83.8 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -26.6 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 113 | F1117 K1195 L1196 L1197 E1203 | F1117-T1199 HydrophobicContact CE1-CG2 4.33Å; F1117-T1199 HydrophobicContact CZ-CG2 4.24Å; K1195-T1199 WeakPolarHBondContact O-CG2 3.41Å; K1195-T1199 PolarHBondContact O-N 2.82Å; K1195-T1199 PolarHBondContact O-OG1 3.44Å; L1196-T1199 PolarHBondContact O-N 2.92Å; L1196-T1199 PolarHBondContact O-OG1 2.9Å; L1197-T1199 PolarHBondContact O-N 3.04Å; T1199-E1203 WeakPolarHBondContact O-CB 3.37Å; T1199-E1203 PolarHBondContact O-N 3.39Å |
| 1200 | M | 84.1 | Confident | 84.2 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.7 | -39.9 | 172 | -70 | 177.3 | 57.4 | 0 | 0 | 112.5 | L10 L14 K1121 L1124 R1125 L1128 L1196 L1197 K1198 E1203 R1204 | L10-M1200 HydrophobicContact CD2-CB 4.17Å; L10-M1200 HydrophobicContact CD2-CE 4.23Å; L14-M1200 HydrophobicContact CD1-CE 3.7Å; K1121-M1200 HydrophobicContact CD-CG 4.43Å; K1121-M1200 HydrophobicContact CG-CG 3.71Å; K1121-M1200 HydrophobicContact CG-SD 4.33Å; L1124-M1200 HydrophobicContact CB-CE 4.4Å; L1124-M1200 HydrophobicContact CB-SD 4.12Å; L1124-M1200 HydrophobicContact CD2-CE 4.44Å; L1124-M1200 HydrophobicContact CD2-SD 3.69Å; L1124-M1200 HydrophobicContact CG-CE 4.07Å; L1124-M1200 HydrophobicContact CG-SD 3.88Å; R1125-M1200 HydrophobicContact CB-CE 3.98Å; R1125-M1200 HydrophobicContact CG-CE 4.47Å; L1128-M1200 HydrophobicContact CD1-CE 4.12Å; L1196-M1200 PolarHBondContact O-N 2.94Å; L1197-M1200 WeakPolarHBondContact O-CA 3.49Å; L1197-M1200 WeakPolarHBondContact O-CB 3.46Å; L1197-M1200 PolarHBondContact O-N 3.36Å; K1198-M1200 PolarHBondContact O-N 3.04Å; M1200-E1203 PolarHBondContact O-N 2.9Å; M1200-R1204 WeakPolarHBondContact O-CB 3.35Å; M1200-R1204 PolarHBondContact O-N 3.39Å |
| 1201 | H | 85.1 | Confident | 84.5 | Confident | 42 Ų | 42 | 54.9 Ų | 54.9 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 169.5 | -80.6 | -87.4 | 0 | 0 | 0 | 111.6 | D6 L1197 K1198 E1203 R1204 C1205 | D6-H1201 IonicContact OD1-NE2 2.65Å; L1197-H1201 PolarHBondContact O-CD2 3.04Å; L1197-H1201 PolarHBondContact O-N 3.09Å; K1198-H1201 PolarHBondContact O-N 2.76Å; K1198-H1201 VanDerWaalsContact O-N 3.12Å; H1201-E1203 PolarHBondContact O-N 2.69Å; H1201-R1204 PolarHBondContact CE1-NH2 2.67Å; H1201-R1204 PolarHBondContact ND1-NH2 3.5Å; H1201-R1204 PolarHBondContact O-N 3.24Å; H1201-C1205 PolarHBondContact O-N 2.85Å; H1201-C1205 PolarHBondContact O-SG 3.26Å |
| 1202 | D | 84.1 | Confident | 84.9 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -28.2 | 178 | -64.2 | -26.4 | 0 | 0 | 0 | 111.7 | K1198 R1206 | K1198-D1202 WeakPolarHBondContact CE-OD2 3.5Å; K1198-D1202 VanDerWaalsContact O-CG 3.29Å; K1198-D1202 PolarHBondContact O-N 3.3Å; D1202-R1206 WeakPolarHBondContact O-CG 3.24Å; D1202-R1206 PolarHBondContact O-N 2.86Å; D1202-R1206 PolarHBondContact O-NE 3.42Å; D1202-R1206 PolarHBondContact O-NH2 3.47Å |
| 1203 | E | 81.7 | Confident | 85.3 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.2 | -44.5 | 174.2 | -163.5 | 161.5 | 128.3 | 0 | 0 | 112.9 | K1121 T1199 M1200 H1201 C1205 R1206 R1207 | K1121-E1203 IonicContact NZ-OE1 3.16Å; K1121-E1203 IonicContact NZ-OE2 2.85Å; K1121-E1203 PolarHBondContact NZ-OE2 2.82Å; T1199-E1203 WeakPolarHBondContact O-CB 3.37Å; T1199-E1203 PolarHBondContact O-N 3.39Å; M1200-E1203 PolarHBondContact O-N 2.9Å; H1201-E1203 PolarHBondContact O-N 2.69Å; E1203-C1205 VanDerWaalsContact C-N 3.31Å; E1203-C1205 PolarHBondContact O-N 2.97Å; E1203-R1206 VanDerWaalsContact CA-NH2 3.35Å; E1203-R1206 PolarHBondContact O-N 3.43Å; E1203-R1206 VanDerWaalsContact O-N 3.13Å; E1203-R1206 IonicContact OE2-NH2 2.98Å; E1203-R1207 VanDerWaalsContact O-CG 3.31Å; E1203-R1207 WeakPolarHBondContact O-CG 3.49Å; E1203-R1207 PolarHBondContact O-N 3.47Å; E1203-R1207 IonicContact OE1-CZ 3.66Å; E1203-R1207 IonicContact OE1-NH2 3.53Å; E1203-R1207 PolarHBondContact OE1-NH2 2.9Å |
| 1204 | R | 83.2 | Confident | 85.7 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56 | -44.5 | 171.3 | 176.6 | 167.8 | 71.7 | 86.3 | -3.8 | 111.7 | E17 M1200 H1201 R1206 R1207 S1208 | E17-R1204 WeakPolarHBondContact OE2-CG 3.33Å; M1200-R1204 WeakPolarHBondContact O-CB 3.35Å; M1200-R1204 PolarHBondContact O-N 3.39Å; H1201-R1204 PolarHBondContact CE1-NH2 2.67Å; H1201-R1204 PolarHBondContact ND1-NH2 3.5Å; H1201-R1204 PolarHBondContact O-N 3.24Å; R1204-R1206 VanDerWaalsContact C-N 3.3Å; R1204-R1206 PolarHBondContact O-N 2.96Å; R1204-R1207 PolarHBondContact O-N 3.38Å; R1204-R1207 VanDerWaalsContact O-N 3.09Å; R1204-S1208 PolarHBondContact O-N 3.37Å |
| 1205 | C | 81.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 51% | 0.507 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 176.5 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | H1201 E1203 S1208 | H1201-C1205 PolarHBondContact O-N 2.85Å; H1201-C1205 PolarHBondContact O-SG 3.26Å; E1203-C1205 VanDerWaalsContact C-N 3.31Å; E1203-C1205 PolarHBondContact O-N 2.97Å; C1205-S1208 WeakPolarHBondContact O-CB 3.22Å; C1205-S1208 PolarHBondContact O-OG 3.5Å |
| 1206 | R | 81.2 | Confident | 86.3 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.8 | -29.1 | 174.2 | -74.7 | 173.9 | -72.3 | 155.4 | 3.9 | 113.3 | L552 D1202 E1203 R1204 S1208 | L552-R1206 WeakPolarHBondContact CD2-O 3.45Å; D1202-R1206 WeakPolarHBondContact O-CG 3.24Å; D1202-R1206 PolarHBondContact O-N 2.86Å; D1202-R1206 PolarHBondContact O-NE 3.42Å; D1202-R1206 PolarHBondContact O-NH2 3.47Å; E1203-R1206 VanDerWaalsContact CA-NH2 3.35Å; E1203-R1206 PolarHBondContact O-N 3.43Å; E1203-R1206 VanDerWaalsContact O-N 3.13Å; E1203-R1206 IonicContact OE2-NH2 2.98Å; R1204-R1206 VanDerWaalsContact C-N 3.3Å; R1204-R1206 PolarHBondContact O-N 2.96Å; R1206-S1208 VanDerWaalsContact C-N 3.31Å; R1206-S1208 PolarHBondContact O-N 3.34Å |
| 1207 | R | 84.3 | Confident | 86.5 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.6 | -17.1 | 178.5 | -72.9 | 172.6 | 134.5 | 125.7 | -174.2 | 114.4 | E17 E548 L552 R1125 E1203 R1204 A1209 Y1210 A1211 | E17-R1207 WeakPolarHBondContact OE1-CD 3.12Å; E548-R1207 WeakPolarHBondContact OE1-CD 3.25Å; E548-R1207 WeakPolarHBondContact OE1-CG 3.33Å; E548-R1207 IonicContact OE1-CZ 3.38Å; E548-R1207 IonicContact OE1-NE 3.7Å; E548-R1207 PolarHBondContact OE1-NE 2.99Å; E548-R1207 IonicContact OE1-NH1 3.69Å; E548-R1207 IonicContact OE2-CZ 2.7Å; E548-R1207 IonicContact OE2-NE 3.79Å; E548-R1207 PolarHBondContact OE2-NE 3.28Å; E548-R1207 IonicContact OE2-NH1 3.55Å; E548-R1207 PolarHBondContact OE2-NH1 3.47Å; L552-R1207 HydrophobicContact CD1-CG 4.15Å; R1125-R1207 VanDerWaalsContact NH2-CZ 3.34Å; E1203-R1207 VanDerWaalsContact O-CG 3.31Å; E1203-R1207 WeakPolarHBondContact O-CG 3.49Å; E1203-R1207 PolarHBondContact O-N 3.47Å; E1203-R1207 IonicContact OE1-CZ 3.66Å; E1203-R1207 IonicContact OE1-NH2 3.53Å; E1203-R1207 PolarHBondContact OE1-NH2 2.9Å; R1204-R1207 PolarHBondContact O-N 3.38Å; R1204-R1207 VanDerWaalsContact O-N 3.09Å; R1207-A1209 PolarHBondContact O-N 3.46Å; R1207-A1209 VanDerWaalsContact O-N 3.1Å; R1207-Y1210 WeakPolarHBondContact O-CB 3.3Å; R1207-Y1210 PolarHBondContact O-N 2.88Å; R1207-A1211 PolarHBondContact O-N 3.17Å |
| 1208 | S | 83.2 | Confident | 86.9 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -49.8 | -34.1 | 169 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | R1204 C1205 R1206 Y1210 A1211 A1212 | R1204-S1208 PolarHBondContact O-N 3.37Å; C1205-S1208 WeakPolarHBondContact O-CB 3.22Å; C1205-S1208 PolarHBondContact O-OG 3.5Å; R1206-S1208 VanDerWaalsContact C-N 3.31Å; R1206-S1208 PolarHBondContact O-N 3.34Å; S1208-Y1210 VanDerWaalsContact C-N 3.28Å; S1208-Y1210 PolarHBondContact O-N 3.31Å; S1208-A1211 PolarHBondContact O-N 3.31Å; S1208-A1212 PolarHBondContact O-N 2.86Å |
| 1209 | A | 87.6 | Confident | 87.2 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 22% | 0.223 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -26.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | L552 V555 R1207 Y1213 | L552-A1209 HydrophobicContact CD2-CB 4.41Å; V555-A1209 HydrophobicContact CG1-CB 4.13Å; V555-A1209 HydrophobicContact CG2-CB 4.21Å; R1207-A1209 PolarHBondContact O-N 3.46Å; R1207-A1209 VanDerWaalsContact O-N 3.1Å; A1209-Y1213 WeakPolarHBondContact O-CB 3.31Å; A1209-Y1213 PolarHBondContact O-N 3.3Å; A1209-Y1213 VanDerWaalsContact O-N 3.12Å |
| 1210 | Y | 92.3 | Very high | 87.4 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76 | -42 | 172.4 | -172.9 | -124.7 | 0 | 0 | 0 | 111.2 | V21 L546 E548 V551 R1207 S1208 A1212 Y1213 L1214 | V21-Y1210 HydrophobicContact CG1-CD1 4.48Å; V21-Y1210 HydrophobicContact CG1-CE1 4.03Å; L546-Y1210 WeakPolarHBondContact O-CE2 3.09Å; L546-Y1210 PolarHBondContact O-OH 3.47Å; E548-Y1210 HydrophobicContact CB-CD1 4.05Å; E548-Y1210 HydrophobicContact CB-CD2 4.45Å; E548-Y1210 HydrophobicContact CB-CE1 3.95Å; E548-Y1210 HydrophobicContact CB-CE2 4.37Å; E548-Y1210 HydrophobicContact CB-CG 4.3Å; E548-Y1210 HydrophobicContact CG-CD1 3.89Å; E548-Y1210 HydrophobicContact CG-CE1 4.31Å; E548-Y1210 HydrophobicContact CG-CG 4Å; V551-Y1210 HydrophobicContact CB-CD2 3.8Å; V551-Y1210 HydrophobicContact CB-CE2 4.24Å; V551-Y1210 HydrophobicContact CG1-CD2 4.02Å; V551-Y1210 HydrophobicContact CG2-CD2 3.86Å; V551-Y1210 HydrophobicContact CG2-CE2 3.82Å; R1207-Y1210 WeakPolarHBondContact O-CB 3.3Å; R1207-Y1210 PolarHBondContact O-N 2.88Å; S1208-Y1210 VanDerWaalsContact C-N 3.28Å; S1208-Y1210 PolarHBondContact O-N 3.31Å; Y1210-A1212 VanDerWaalsContact C-N 3.32Å; Y1210-A1212 PolarHBondContact O-N 3.15Å; Y1210-Y1213 AromaticContact CD2-CD1 3.85Å; Y1210-Y1213 HydrophobicContact CD2-CD1 3.85Å; Y1210-Y1213 AromaticContact CE2-CD1 3.76Å; Y1210-Y1213 HydrophobicContact CE2-CD1 3.76Å; Y1210-Y1213 HydrophobicContact CE2-CE1 4.06Å; Y1210-Y1213 WeakPolarHBondContact O-CB 3.35Å; Y1210-Y1213 PolarHBondContact O-N 3.4Å; Y1210-Y1213 VanDerWaalsContact O-N 3.12Å; Y1210-L1214 HydrophobicContact CD1-CD1 4.28Å; Y1210-L1214 HydrophobicContact CE1-CD1 4Å; Y1210-L1214 HydrophobicContact CE1-CG 4.42Å; Y1210-L1214 HydrophobicContact CE2-CD2 4.32Å; Y1210-L1214 WeakPolarHBondContact O-CG 3.47Å; Y1210-L1214 PolarHBondContact O-N 3.27Å |
| 1211 | A | 87 | Confident | 87.8 | Confident | 24 Ų | 24 | 49 Ų | 49 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R1207 S1208 Y1213 L1214 Q1215 | R1207-A1211 PolarHBondContact O-N 3.17Å; S1208-A1211 PolarHBondContact O-N 3.31Å; A1211-Y1213 VanDerWaalsContact C-N 3.34Å; A1211-Y1213 PolarHBondContact O-N 2.87Å; A1211-L1214 PolarHBondContact O-N 3.15Å; A1211-Q1215 WeakPolarHBondContact O-CG 3.49Å; A1211-Q1215 PolarHBondContact O-N 3.05Å |
| 1212 | A | 88 | Confident | 88.2 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1208 Y1210 Q1216 | S1208-A1212 PolarHBondContact O-N 2.86Å; Y1210-A1212 VanDerWaalsContact C-N 3.32Å; Y1210-A1212 PolarHBondContact O-N 3.15Å; A1212-Q1216 WeakPolarHBondContact O-CB 3.29Å; A1212-Q1216 PolarHBondContact O-N 3.49Å |
| 1213 | Y | 93 | Very high | 88.5 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 173 | 162.1 | -95.1 | 0 | 0 | 0 | 112.5 | G544 L546 V551 A1209 Y1210 A1211 S1217 | G544-Y1213 WeakPolarHBondContact CA-OH 3.23Å; G544-Y1213 PolarHBondContact N-OH 3.17Å; G544-Y1213 WeakPolarHBondContact O-CE1 3.49Å; L546-Y1213 HydrophobicContact CB-CE1 4.15Å; L546-Y1213 WeakPolarHBondContact CB-OH 3.37Å; L546-Y1213 HydrophobicContact CD1-CE2 4.12Å; L546-Y1213 WeakPolarHBondContact CG-OH 3.35Å; L546-Y1213 PolarHBondContact N-OH 3.29Å; V551-Y1213 HydrophobicContact CG1-CD1 4.17Å; V551-Y1213 HydrophobicContact CG1-CD2 4.22Å; V551-Y1213 HydrophobicContact CG1-CG 3.77Å; V551-Y1213 HydrophobicContact CG2-CD1 3.76Å; V551-Y1213 HydrophobicContact CG2-CD2 4.32Å; V551-Y1213 HydrophobicContact CG2-CE1 3.78Å; V551-Y1213 HydrophobicContact CG2-CE2 4.35Å; V551-Y1213 HydrophobicContact CG2-CG 4.04Å; A1209-Y1213 WeakPolarHBondContact O-CB 3.31Å; A1209-Y1213 PolarHBondContact O-N 3.3Å; A1209-Y1213 VanDerWaalsContact O-N 3.12Å; Y1210-Y1213 AromaticContact CD2-CD1 3.85Å; Y1210-Y1213 HydrophobicContact CD2-CD1 3.85Å; Y1210-Y1213 AromaticContact CE2-CD1 3.76Å; Y1210-Y1213 HydrophobicContact CE2-CD1 3.76Å; Y1210-Y1213 HydrophobicContact CE2-CE1 4.06Å; Y1210-Y1213 WeakPolarHBondContact O-CB 3.35Å; Y1210-Y1213 PolarHBondContact O-N 3.4Å; Y1210-Y1213 VanDerWaalsContact O-N 3.12Å; A1211-Y1213 VanDerWaalsContact C-N 3.34Å; A1211-Y1213 PolarHBondContact O-N 2.87Å; Y1213-S1217 VanDerWaalsContact O-CB 3.25Å; Y1213-S1217 WeakPolarHBondContact O-CB 3.29Å; Y1213-S1217 PolarHBondContact O-N 3.26Å; Y1213-S1217 PolarHBondContact O-OG 2.69Å |
| 1214 | L | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 175.8 | -64.2 | 176.5 | 0 | 0 | 0 | 110.9 | V21 E24 L25 I28 G544 Y1210 A1211 Q1216 S1217 K1218 | V21-L1214 HydrophobicContact CB-CD1 4.38Å; V21-L1214 HydrophobicContact CG1-CD1 4.11Å; V21-L1214 HydrophobicContact CG2-CD1 4.13Å; E24-L1214 HydrophobicContact CB-CB 4.3Å; E24-L1214 HydrophobicContact CB-CD1 4.23Å; L25-L1214 HydrophobicContact CD2-CD2 3.65Å; L25-L1214 HydrophobicContact CG-CD1 4.24Å; L25-L1214 HydrophobicContact CG-CD2 4.14Å; I28-L1214 HydrophobicContact CD1-CB 3.91Å; I28-L1214 HydrophobicContact CD1-CD2 3.8Å; I28-L1214 HydrophobicContact CD1-CG 4.44Å; I28-L1214 WeakPolarHBondContact CD1-O 3.47Å; G544-L1214 WeakPolarHBondContact O-CD2 3.43Å; Y1210-L1214 HydrophobicContact CD1-CD1 4.28Å; Y1210-L1214 HydrophobicContact CE1-CD1 4Å; Y1210-L1214 HydrophobicContact CE1-CG 4.42Å; Y1210-L1214 HydrophobicContact CE2-CD2 4.32Å; Y1210-L1214 WeakPolarHBondContact O-CG 3.47Å; Y1210-L1214 PolarHBondContact O-N 3.27Å; A1211-L1214 PolarHBondContact O-N 3.15Å; L1214-Q1216 PolarHBondContact O-N 3.28Å; L1214-S1217 WeakPolarHBondContact O-CB 3.45Å; L1214-S1217 PolarHBondContact O-N 2.91Å; L1214-S1217 VanDerWaalsContact O-N 3.11Å; L1214-K1218 WeakPolarHBondContact O-CB 3.3Å; L1214-K1218 PolarHBondContact O-N 2.96Å |
| 1215 | Q | 90.4 | Very high | 89.4 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 176.6 | -72.7 | 175.9 | -24.2 | 0 | 0 | 112.4 | A1211 L1219 | A1211-Q1215 WeakPolarHBondContact O-CG 3.49Å; A1211-Q1215 PolarHBondContact O-N 3.05Å; Q1215-L1219 WeakPolarHBondContact O-CB 3.47Å; Q1215-L1219 PolarHBondContact O-N 3.34Å |
| 1216 | Q | 90.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 51 Ų | 51 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.9 | -172 | 69.5 | 30.9 | 0 | 0 | 111.8 | M759 A1212 L1214 L1219 T1220 | M759-Q1216 PolarHBondContact SD-NE2 2.88Å; M759-Q1216 VanDerWaalsContact SD-NE2 3.41Å; A1212-Q1216 WeakPolarHBondContact O-CB 3.29Å; A1212-Q1216 PolarHBondContact O-N 3.49Å; L1214-Q1216 PolarHBondContact O-N 3.28Å; Q1216-L1219 PolarHBondContact O-N 3.49Å; Q1216-T1220 PolarHBondContact O-N 3.09Å; Q1216-T1220 PolarHBondContact O-OG1 2.86Å; Q1216-T1220 VanDerWaalsContact O-OG1 3.1Å |
| 1217 | S | 91.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | G544 Y1213 L1214 T1220 L1221 | G544-S1217 VanDerWaalsContact CA-OG 3.31Å; G544-S1217 WeakPolarHBondContact CA-OG 3.11Å; Y1213-S1217 VanDerWaalsContact O-CB 3.25Å; Y1213-S1217 WeakPolarHBondContact O-CB 3.29Å; Y1213-S1217 PolarHBondContact O-N 3.26Å; Y1213-S1217 PolarHBondContact O-OG 2.69Å; L1214-S1217 WeakPolarHBondContact O-CB 3.45Å; L1214-S1217 PolarHBondContact O-N 2.91Å; L1214-S1217 VanDerWaalsContact O-N 3.11Å; S1217-T1220 PolarHBondContact O-N 3.17Å; S1217-L1221 WeakPolarHBondContact O-CG 3.37Å; S1217-L1221 PolarHBondContact O-N 2.86Å |
| 1218 | K | 92.9 | Very high | 90.8 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 173 | 175.6 | 173 | 175.5 | 179.6 | 0 | 112.4 | E24 I28 L31 L1214 L1221 L1222 | E24-K1218 IonicContact OE1-NZ 3.16Å; E24-K1218 PolarHBondContact OE1-NZ 3.33Å; E24-K1218 WeakPolarHBondContact OE2-CD 3.15Å; E24-K1218 WeakPolarHBondContact OE2-CE 3.31Å; E24-K1218 IonicContact OE2-NZ 3.06Å; E24-K1218 PolarHBondContact OE2-NZ 3.3Å; I28-K1218 HydrophobicContact CD1-CB 4.3Å; I28-K1218 HydrophobicContact CG1-CB 3.96Å; L31-K1218 HydrophobicContact CD1-CG 3.94Å; L1214-K1218 WeakPolarHBondContact O-CB 3.3Å; L1214-K1218 PolarHBondContact O-N 2.96Å; K1218-L1221 PolarHBondContact O-N 2.9Å; K1218-L1222 HydrophobicContact CG-CD1 3.97Å; K1218-L1222 WeakPolarHBondContact O-CB 3.29Å; K1218-L1222 VanDerWaalsContact O-CG 3.29Å; K1218-L1222 WeakPolarHBondContact O-CG 3.4Å; K1218-L1222 PolarHBondContact O-N 2.94Å |
| 1219 | L | 92.1 | Very high | 91.3 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.1 | -178.1 | 63.1 | 0 | 0 | 0 | 111.4 | Q1215 Q1216 L1222 Q1223 | Q1215-L1219 WeakPolarHBondContact O-CB 3.47Å; Q1215-L1219 PolarHBondContact O-N 3.34Å; Q1216-L1219 PolarHBondContact O-N 3.49Å; L1219-L1222 PolarHBondContact O-N 3.08Å; L1219-Q1223 WeakPolarHBondContact O-CB 3.45Å; L1219-Q1223 VanDerWaalsContact O-CG 3.26Å; L1219-Q1223 WeakPolarHBondContact O-CG 3.48Å; L1219-Q1223 PolarHBondContact O-N 3.44Å |
| 1220 | T | 90.3 | Very high | 91.6 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 112 | I543 Q1216 S1217 Q1223 Q1224 | I543-T1220 HydrophobicContact CD1-CG2 4.34Å; Q1216-T1220 PolarHBondContact O-N 3.09Å; Q1216-T1220 PolarHBondContact O-OG1 2.86Å; Q1216-T1220 VanDerWaalsContact O-OG1 3.1Å; S1217-T1220 PolarHBondContact O-N 3.17Å; T1220-Q1223 WeakPolarHBondContact O-CB 3.42Å; T1220-Q1223 PolarHBondContact O-N 3.37Å; T1220-Q1224 WeakPolarHBondContact O-CG 3.49Å; T1220-Q1224 PolarHBondContact O-N 3.14Å |
| 1221 | L | 91.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.4 | -75.7 | 166 | 0 | 0 | 0 | 112.6 | I28 L31 N32 V35 I543 S1217 K1218 Q1223 Q1224 R1225 | I28-L1221 HydrophobicContact CG2-CD1 3.95Å; L31-L1221 HydrophobicContact CB-CB 3.99Å; L31-L1221 HydrophobicContact CB-CD1 4.09Å; L31-L1221 HydrophobicContact CD1-CB 4.47Å; N32-L1221 WeakPolarHBondContact ND2-CD1 3.47Å; V35-L1221 HydrophobicContact CG2-CD2 4.13Å; I543-L1221 HydrophobicContact CB-CD1 4.24Å; I543-L1221 HydrophobicContact CB-CD2 4.05Å; I543-L1221 HydrophobicContact CB-CG 4.06Å; I543-L1221 HydrophobicContact CD1-CD2 4.26Å; I543-L1221 HydrophobicContact CG2-CD1 4.42Å; I543-L1221 HydrophobicContact CG2-CG 4.16Å; S1217-L1221 WeakPolarHBondContact O-CG 3.37Å; S1217-L1221 PolarHBondContact O-N 2.86Å; K1218-L1221 PolarHBondContact O-N 2.9Å; L1221-Q1223 VanDerWaalsContact C-N 3.33Å; L1221-Q1223 PolarHBondContact O-N 3.37Å; L1221-Q1224 PolarHBondContact O-N 3.38Å; L1221-R1225 WeakPolarHBondContact O-CB 3.45Å; L1221-R1225 PolarHBondContact O-N 2.97Å |
| 1222 | L | 93.3 | Very high | 92 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.4 | -73.7 | 167.4 | 0 | 0 | 0 | 111.8 | L31 K1218 L1219 R1225 S1226 | L31-L1222 HydrophobicContact CD1-CD2 4.02Å; L31-L1222 HydrophobicContact CD1-CG 3.95Å; L31-L1222 HydrophobicContact CD2-CD2 3.7Å; L31-L1222 HydrophobicContact CD2-CG 4.35Å; K1218-L1222 HydrophobicContact CG-CD1 3.97Å; K1218-L1222 WeakPolarHBondContact O-CB 3.29Å; K1218-L1222 VanDerWaalsContact O-CG 3.29Å; K1218-L1222 WeakPolarHBondContact O-CG 3.4Å; K1218-L1222 PolarHBondContact O-N 2.94Å; L1219-L1222 PolarHBondContact O-N 3.08Å; L1222-R1225 PolarHBondContact O-N 3.49Å; L1222-S1226 WeakPolarHBondContact O-CB 3.44Å; L1222-S1226 PolarHBondContact O-N 2.91Å |
| 1223 | Q | 91.4 | Very high | 92.2 | Very high | 114 Ų | 114 | 50.1 Ų | 50.1 | 53% | 0.533 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 172.8 | -72.3 | 170.6 | 0.1 | 0 | 0 | 111.9 | L1219 T1220 L1221 S1226 L1227 | L1219-Q1223 WeakPolarHBondContact O-CB 3.45Å; L1219-Q1223 VanDerWaalsContact O-CG 3.26Å; L1219-Q1223 WeakPolarHBondContact O-CG 3.48Å; L1219-Q1223 PolarHBondContact O-N 3.44Å; T1220-Q1223 WeakPolarHBondContact O-CB 3.42Å; T1220-Q1223 PolarHBondContact O-N 3.37Å; L1221-Q1223 VanDerWaalsContact C-N 3.33Å; L1221-Q1223 PolarHBondContact O-N 3.37Å; Q1223-S1226 PolarHBondContact O-N 2.95Å; Q1223-L1227 WeakPolarHBondContact O-CB 3.27Å; Q1223-L1227 PolarHBondContact O-N 2.96Å |
| 1224 | Q | 90.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176 | -73.4 | 177.2 | 0.4 | 0 | 0 | 112.1 | V35 G406 T1220 L1221 L1227 L1228 | V35-Q1224 HydrophobicContact CG2-CB 4.13Å; G406-Q1224 PolarHBondContact O-NE2 2.99Å; T1220-Q1224 WeakPolarHBondContact O-CG 3.49Å; T1220-Q1224 PolarHBondContact O-N 3.14Å; L1221-Q1224 PolarHBondContact O-N 3.38Å; Q1224-L1227 PolarHBondContact O-N 2.94Å; Q1224-L1228 WeakPolarHBondContact O-CB 3.43Å; Q1224-L1228 WeakPolarHBondContact O-CG 3.47Å; Q1224-L1228 PolarHBondContact O-N 2.85Å |
| 1225 | R | 93.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 174.2 | -166.3 | 178.2 | 73.4 | 169.3 | 3 | 111.7 | D34 V35 L1221 L1222 L1227 L1228 Q1229 | D34-R1225 HydrophobicContact CB-CG 4.29Å; D34-R1225 WeakPolarHBondContact OD2-CD 3.46Å; D34-R1225 IonicContact OD2-CZ 3.64Å; D34-R1225 IonicContact OD2-NE 3.2Å; D34-R1225 IonicContact OD2-NH1 3.95Å; D34-R1225 PolarHBondContact OD2-NH1 3.15Å; V35-R1225 HydrophobicContact CG2-CB 4.14Å; L1221-R1225 WeakPolarHBondContact O-CB 3.45Å; L1221-R1225 PolarHBondContact O-N 2.97Å; L1222-R1225 PolarHBondContact O-N 3.49Å; R1225-L1227 VanDerWaalsContact C-N 3.34Å; R1225-L1227 PolarHBondContact O-N 3.15Å; R1225-L1228 PolarHBondContact O-N 3.21Å; R1225-Q1229 WeakPolarHBondContact O-CB 3.42Å; R1225-Q1229 WeakPolarHBondContact O-CG 3.31Å; R1225-Q1229 PolarHBondContact O-N 3.43Å |
| 1226 | S | 91.8 | Very high | 92.3 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 174.1 | 170 | 0 | 0 | 0 | 0 | 113 | L1222 Q1223 R1230 | L1222-S1226 WeakPolarHBondContact O-CB 3.44Å; L1222-S1226 PolarHBondContact O-N 2.91Å; Q1223-S1226 PolarHBondContact O-N 2.95Å; S1226-R1230 WeakPolarHBondContact O-CG 3.44Å; S1226-R1230 PolarHBondContact O-N 2.88Å; S1226-R1230 PolarHBondContact O-NE 3.14Å; S1226-R1230 PolarHBondContact OG-NH2 3.01Å |
| 1227 | L | 90.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.2 | -48.1 | 174.5 | 179.2 | 60.4 | 0 | 0 | 0 | 110.8 | Q1223 Q1224 R1225 Q1229 R1230 M1231 | Q1223-L1227 WeakPolarHBondContact O-CB 3.27Å; Q1223-L1227 PolarHBondContact O-N 2.96Å; Q1224-L1227 PolarHBondContact O-N 2.94Å; R1225-L1227 VanDerWaalsContact C-N 3.34Å; R1225-L1227 PolarHBondContact O-N 3.15Å; L1227-Q1229 PolarHBondContact O-N 3.07Å; L1227-R1230 PolarHBondContact O-N 3.27Å; L1227-M1231 HydrophobicContact CD1-CG 4.21Å; L1227-M1231 HydrophobicContact CD1-SD 4.03Å; L1227-M1231 HydrophobicContact CD2-SD 4.45Å; L1227-M1231 HydrophobicContact CG-CG 4.44Å; L1227-M1231 HydrophobicContact CG-SD 3.83Å; L1227-M1231 VanDerWaalsContact O-CG 3.29Å; L1227-M1231 WeakPolarHBondContact O-CG 3.45Å; L1227-M1231 PolarHBondContact O-N 3.03Å |
| 1228 | L | 92.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 176.9 | -86.1 | 167.8 | 0 | 0 | 0 | 112.8 | V35 T39 L42 L408 Q1224 R1225 R1230 M1231 L1232 | V35-L1228 HydrophobicContact CB-CD1 4.2Å; V35-L1228 HydrophobicContact CG1-CD1 3.92Å; V35-L1228 HydrophobicContact CG2-CD1 4.32Å; V35-L1228 VanDerWaalsContact O-CD1 3.24Å; V35-L1228 WeakPolarHBondContact O-CD1 3.4Å; T39-L1228 HydrophobicContact CG2-CD1 4.09Å; T39-L1228 HydrophobicContact CG2-CD2 3.9Å; L42-L1228 HydrophobicContact CB-CD2 4.43Å; L42-L1228 HydrophobicContact CD2-CD2 3.98Å; L408-L1228 HydrophobicContact CD1-CD1 4.08Å; L408-L1228 HydrophobicContact CD1-CG 4.28Å; L408-L1228 HydrophobicContact CD2-CD1 4.43Å; L408-L1228 HydrophobicContact CD2-CD2 3.57Å; L408-L1228 HydrophobicContact CD2-CG 3.77Å; Q1224-L1228 WeakPolarHBondContact O-CB 3.43Å; Q1224-L1228 WeakPolarHBondContact O-CG 3.47Å; Q1224-L1228 PolarHBondContact O-N 2.85Å; R1225-L1228 PolarHBondContact O-N 3.21Å; L1228-R1230 VanDerWaalsContact C-N 3.32Å; L1228-R1230 PolarHBondContact O-N 2.77Å; L1228-M1231 PolarHBondContact O-N 3.29Å; L1228-M1231 VanDerWaalsContact O-N 3.16Å; L1228-L1232 WeakPolarHBondContact O-CB 3.5Å; L1228-L1232 PolarHBondContact O-N 3.13Å |
| 1229 | Q | 95.5 | Very high | 91.7 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 178.5 | -73.9 | 171.9 | -32.1 | 0 | 0 | 111.6 | R1225 L1227 G1233 | R1225-Q1229 WeakPolarHBondContact O-CB 3.42Å; R1225-Q1229 WeakPolarHBondContact O-CG 3.31Å; R1225-Q1229 PolarHBondContact O-N 3.43Å; L1227-Q1229 PolarHBondContact O-N 3.07Å; Q1229-G1233 PolarHBondContact O-N 3.14Å |
| 1230 | R | 92.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 55.7 Ų | 55.7 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | 175.4 | -72.7 | 179.9 | -68.2 | 167.4 | -4.3 | 113 | S1226 L1227 L1228 R1234 | S1226-R1230 WeakPolarHBondContact O-CG 3.44Å; S1226-R1230 PolarHBondContact O-N 2.88Å; S1226-R1230 PolarHBondContact O-NE 3.14Å; S1226-R1230 PolarHBondContact OG-NH2 3.01Å; L1227-R1230 PolarHBondContact O-N 3.27Å; L1228-R1230 VanDerWaalsContact C-N 3.32Å; L1228-R1230 PolarHBondContact O-N 2.77Å; R1230-R1234 VanDerWaalsContact O-CD 3.32Å; R1230-R1234 WeakPolarHBondContact O-CD 3.37Å; R1230-R1234 WeakPolarHBondContact O-CG 3.5Å; R1230-R1234 PolarHBondContact O-N 3.44Å |
| 1231 | M | 92.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 175.2 | -70.9 | 175.1 | 74.5 | 0 | 0 | 111.6 | L42 Q144 L1227 L1228 G1233 R1234 V1235 | L42-M1231 HydrophobicContact CD1-CB 4.11Å; L42-M1231 HydrophobicContact CD2-CB 4.11Å; L42-M1231 HydrophobicContact CD2-CE 3.86Å; L42-M1231 HydrophobicContact CD2-SD 4.39Å; Q144-M1231 HydrophobicContact CB-CE 4.15Å; Q144-M1231 WeakPolarHBondContact O-CE 3.44Å; L1227-M1231 HydrophobicContact CD1-CG 4.21Å; L1227-M1231 HydrophobicContact CD1-SD 4.03Å; L1227-M1231 HydrophobicContact CD2-SD 4.45Å; L1227-M1231 HydrophobicContact CG-CG 4.44Å; L1227-M1231 HydrophobicContact CG-SD 3.83Å; L1227-M1231 VanDerWaalsContact O-CG 3.29Å; L1227-M1231 WeakPolarHBondContact O-CG 3.45Å; L1227-M1231 PolarHBondContact O-N 3.03Å; L1228-M1231 PolarHBondContact O-N 3.29Å; L1228-M1231 VanDerWaalsContact O-N 3.16Å; M1231-G1233 PolarHBondContact O-N 2.91Å; M1231-R1234 WeakPolarHBondContact O-CB 3.37Å; M1231-R1234 PolarHBondContact O-N 2.81Å; M1231-V1235 WeakPolarHBondContact O-CG2 3.32Å; M1231-V1235 PolarHBondContact O-N 3.38Å |
| 1232 | L | 95.2 | Very high | 90.8 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 177 | -178.8 | 61.4 | 0 | 0 | 0 | 111.2 | A45 L1228 R1234 V1235 Q1236 | A45-L1232 HydrophobicContact CB-CD1 3.8Å; L1228-L1232 WeakPolarHBondContact O-CB 3.5Å; L1228-L1232 PolarHBondContact O-N 3.13Å; L1232-R1234 VanDerWaalsContact C-N 3.3Å; L1232-R1234 PolarHBondContact O-N 3.13Å; L1232-V1235 PolarHBondContact O-N 3.28Å; L1232-Q1236 HydrophobicContact CD1-CG 4.15Å; L1232-Q1236 HydrophobicContact CG-CG 4.37Å; L1232-Q1236 WeakPolarHBondContact O-CB 3.4Å; L1232-Q1236 VanDerWaalsContact O-CG 3.29Å; L1232-Q1236 WeakPolarHBondContact O-CG 3.36Å; L1232-Q1236 PolarHBondContact O-N 3.42Å |
| 1233 | G | 94 | Very high | 90.5 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1229 M1231 R1237 | Q1229-G1233 PolarHBondContact O-N 3.14Å; M1231-G1233 PolarHBondContact O-N 2.91Å; G1233-R1237 WeakPolarHBondContact O-CB 3.3Å; G1233-R1237 PolarHBondContact O-N 3.02Å |
| 1234 | R | 90.5 | Very high | 90.3 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -52.6 | 172.3 | -70.8 | 161.2 | -173.1 | -179.9 | 0.1 | 111.3 | F195 R1230 M1231 L1232 Q1236 R1237 E1238 | F195-R1234 HydrophobicContact CD2-CG 4.39Å; F195-R1234 HydrophobicContact CE2-CG 4.12Å; R1230-R1234 VanDerWaalsContact O-CD 3.32Å; R1230-R1234 WeakPolarHBondContact O-CD 3.37Å; R1230-R1234 WeakPolarHBondContact O-CG 3.5Å; R1230-R1234 PolarHBondContact O-N 3.44Å; M1231-R1234 WeakPolarHBondContact O-CB 3.37Å; M1231-R1234 PolarHBondContact O-N 2.81Å; L1232-R1234 VanDerWaalsContact C-N 3.3Å; L1232-R1234 PolarHBondContact O-N 3.13Å; R1234-Q1236 VanDerWaalsContact C-N 3.3Å; R1234-Q1236 PolarHBondContact O-N 2.94Å; R1234-R1237 WeakPolarHBondContact O-CA 3.37Å; R1234-R1237 WeakPolarHBondContact O-CB 3.43Å; R1234-R1237 PolarHBondContact O-N 2.98Å; R1234-E1238 WeakPolarHBondContact O-CG 3.17Å; R1234-E1238 PolarHBondContact O-N 3.24Å |
| 1235 | V | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 111 | L42 A45 Q49 Q144 M1231 L1232 R1237 E1238 Q1239 | L42-V1235 HydrophobicContact CD1-CG2 3.96Å; A45-V1235 HydrophobicContact CB-CG1 3.85Å; Q49-V1235 HydrophobicContact CB-CG1 3.84Å; Q49-V1235 HydrophobicContact CG-CG1 4.16Å; Q144-V1235 HydrophobicContact CG-CG2 4.34Å; M1231-V1235 WeakPolarHBondContact O-CG2 3.32Å; M1231-V1235 PolarHBondContact O-N 3.38Å; L1232-V1235 PolarHBondContact O-N 3.28Å; V1235-R1237 PolarHBondContact O-N 3.06Å; V1235-E1238 PolarHBondContact O-N 2.96Å; V1235-Q1239 VanDerWaalsContact O-CB 3.3Å; V1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; V1235-Q1239 PolarHBondContact O-N 3.17Å |
| 1236 | Q | 93.6 | Very high | 89.4 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.3 | -28.2 | 174.2 | -71.6 | 175.3 | -13.9 | 0 | 0 | 113.8 | L1232 R1234 R1240 | L1232-Q1236 HydrophobicContact CD1-CG 4.15Å; L1232-Q1236 HydrophobicContact CG-CG 4.37Å; L1232-Q1236 WeakPolarHBondContact O-CB 3.4Å; L1232-Q1236 VanDerWaalsContact O-CG 3.29Å; L1232-Q1236 WeakPolarHBondContact O-CG 3.36Å; L1232-Q1236 PolarHBondContact O-N 3.42Å; R1234-Q1236 VanDerWaalsContact C-N 3.3Å; R1234-Q1236 PolarHBondContact O-N 2.94Å; Q1236-R1240 WeakPolarHBondContact O-CB 3.25Å; Q1236-R1240 VanDerWaalsContact O-CG 3.29Å; Q1236-R1240 WeakPolarHBondContact O-CG 3.37Å; Q1236-R1240 PolarHBondContact O-N 3.19Å; Q1236-R1240 PolarHBondContact O-NE 3.04Å |
| 1237 | R | 88.4 | Confident | 89.2 | Confident | 127 Ų | 127 | 45.3 Ų | 45.3 | 48% | 0.479 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.2 | -50.3 | 169 | 174.1 | 175.7 | 169 | 142.7 | -2 | 109.9 | S334 G1233 R1234 V1235 Q1239 R1240 L1241 | S334-R1237 PolarHBondContact OG-NH2 2.84Å; G1233-R1237 WeakPolarHBondContact O-CB 3.3Å; G1233-R1237 PolarHBondContact O-N 3.02Å; R1234-R1237 WeakPolarHBondContact O-CA 3.37Å; R1234-R1237 WeakPolarHBondContact O-CB 3.43Å; R1234-R1237 PolarHBondContact O-N 2.98Å; V1235-R1237 PolarHBondContact O-N 3.06Å; R1237-Q1239 PolarHBondContact O-N 2.94Å; R1237-R1240 PolarHBondContact O-N 3.45Å; R1237-L1241 HydrophobicContact CG-CD1 4.17Å; R1237-L1241 WeakPolarHBondContact O-CG 3.46Å; R1237-L1241 PolarHBondContact O-N 2.7Å |
| 1238 | E | 84.8 | Confident | 88.9 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | -180 | -67.1 | 179.7 | -167.6 | 0 | 0 | 112.6 | Q49 K198 R1234 V1235 L1241 A1242 | Q49-E1238 HydrophobicContact CG-CB 4.22Å; K198-E1238 WeakPolarHBondContact CD-OE1 3.47Å; K198-E1238 WeakPolarHBondContact CE-OE1 3.31Å; K198-E1238 IonicContact NZ-OE1 2.79Å; K198-E1238 PolarHBondContact NZ-OE1 3.06Å; K198-E1238 IonicContact NZ-OE2 2.66Å; K198-E1238 PolarHBondContact NZ-OE2 3.43Å; R1234-E1238 WeakPolarHBondContact O-CG 3.17Å; R1234-E1238 PolarHBondContact O-N 3.24Å; V1235-E1238 PolarHBondContact O-N 2.96Å; E1238-L1241 PolarHBondContact O-N 2.72Å; E1238-A1242 PolarHBondContact O-N 2.92Å |
| 1239 | Q | 89 | Confident | 88.3 | Confident | 36 Ų | 36 | 45 Ų | 45 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 172.9 | -169.8 | -167.4 | 2.8 | 0 | 0 | 111.6 | I48 Q49 V1235 R1237 L1241 A1242 V1243 | I48-Q1239 VanDerWaalsContact CG2-NE2 3.3Å; Q49-Q1239 HydrophobicContact CB-CB 4.18Å; Q49-Q1239 HydrophobicContact CB-CG 4.46Å; Q49-Q1239 HydrophobicContact CG-CB 4.23Å; V1235-Q1239 VanDerWaalsContact O-CB 3.3Å; V1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; V1235-Q1239 PolarHBondContact O-N 3.17Å; R1237-Q1239 PolarHBondContact O-N 2.94Å; Q1239-L1241 VanDerWaalsContact C-N 3.33Å; Q1239-L1241 PolarHBondContact O-N 2.86Å; Q1239-A1242 PolarHBondContact O-N 3.41Å; Q1239-V1243 WeakPolarHBondContact O-CG2 3.43Å; Q1239-V1243 PolarHBondContact O-N 3.5Å |
| 1240 | R | 88.4 | Confident | 87.8 | Confident | 133 Ų | 133 | 39.2 Ų | 39.2 | 50% | 0.502 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.9 | -76.5 | 179.3 | -69.2 | 165.5 | -2.6 | 112 | Q1236 R1237 R1244 | Q1236-R1240 WeakPolarHBondContact O-CB 3.25Å; Q1236-R1240 VanDerWaalsContact O-CG 3.29Å; Q1236-R1240 WeakPolarHBondContact O-CG 3.37Å; Q1236-R1240 PolarHBondContact O-N 3.19Å; Q1236-R1240 PolarHBondContact O-NE 3.04Å; R1237-R1240 PolarHBondContact O-N 3.45Å; R1240-R1244 WeakPolarHBondContact O-CB 3.45Å; R1240-R1244 VanDerWaalsContact O-CG 3.23Å; R1240-R1244 WeakPolarHBondContact O-CG 3.49Å; R1240-R1244 PolarHBondContact O-N 2.92Å |
| 1241 | L | 83.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 177.4 | -67 | 178.9 | 0 | 0 | 0 | 112.5 | S334 R1237 E1238 Q1239 R1244 S1245 | S334-L1241 WeakPolarHBondContact O-CD2 3.4Å; R1237-L1241 HydrophobicContact CG-CD1 4.17Å; R1237-L1241 WeakPolarHBondContact O-CG 3.46Å; R1237-L1241 PolarHBondContact O-N 2.7Å; E1238-L1241 PolarHBondContact O-N 2.72Å; Q1239-L1241 VanDerWaalsContact C-N 3.33Å; Q1239-L1241 PolarHBondContact O-N 2.86Å; L1241-R1244 PolarHBondContact O-N 3.19Å; L1241-S1245 WeakPolarHBondContact O-CB 3.31Å; L1241-S1245 PolarHBondContact O-N 3.29Å; L1241-S1245 PolarHBondContact O-OG 2.96Å |
| 1242 | A | 83.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L56 E1238 Q1239 S1245 V1246 | L56-A1242 HydrophobicContact CD2-CB 4.43Å; E1238-A1242 PolarHBondContact O-N 2.92Å; Q1239-A1242 PolarHBondContact O-N 3.41Å; A1242-S1245 PolarHBondContact O-N 2.78Å; A1242-V1246 WeakPolarHBondContact O-CG2 3.42Å; A1242-V1246 PolarHBondContact O-N 2.94Å; A1242-V1246 VanDerWaalsContact O-N 3.09Å |
| 1243 | V | 87.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 175.7 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | L75 Q1239 S1245 V1246 L1247 Q1307 | L75-V1243 HydrophobicContact CD1-CB 4.44Å; L75-V1243 HydrophobicContact CD1-CG1 4.22Å; L75-V1243 HydrophobicContact CD1-CG2 4.35Å; L75-V1243 HydrophobicContact CD2-CG2 4.34Å; Q1239-V1243 WeakPolarHBondContact O-CG2 3.43Å; Q1239-V1243 PolarHBondContact O-N 3.5Å; V1243-S1245 PolarHBondContact O-N 2.97Å; V1243-V1246 PolarHBondContact O-N 2.93Å; V1243-L1247 HydrophobicContact CG1-CD1 3.84Å; V1243-L1247 WeakPolarHBondContact O-CG 2.75Å; V1243-L1247 PolarHBondContact O-N 2.89Å; V1243-Q1307 HydrophobicContact CG1-CG 4.24Å |
| 1244 | R | 86.7 | Confident | 86.3 | Confident | 78 Ų | 78 | 35.4 Ų | 35.4 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 177 | -78.1 | 179.2 | 175.4 | -175.1 | -3.3 | 112.3 | S334 D335 R1240 L1241 L1247 E1248 Y1310 | S334-R1244 PolarHBondContact O-NH1 3.22Å; D335-R1244 IonicContact OD1-CZ 3.03Å; D335-R1244 IonicContact OD1-NH1 3.33Å; D335-R1244 PolarHBondContact OD1-NH1 3.01Å; D335-R1244 IonicContact OD1-NH2 3.19Å; R1240-R1244 WeakPolarHBondContact O-CB 3.45Å; R1240-R1244 VanDerWaalsContact O-CG 3.23Å; R1240-R1244 WeakPolarHBondContact O-CG 3.49Å; R1240-R1244 PolarHBondContact O-N 2.92Å; L1241-R1244 PolarHBondContact O-N 3.19Å; R1244-L1247 PolarHBondContact O-N 3.44Å; R1244-E1248 WeakPolarHBondContact O-CB 3.37Å; R1244-E1248 PolarHBondContact O-N 3.26Å; R1244-Y1310 HydrophobicContact CB-CE1 3.93Å; R1244-Y1310 HydrophobicContact CB-CE2 4.34Å; R1244-Y1310 HydrophobicContact CG-CD1 4.44Å; R1244-Y1310 HydrophobicContact CG-CD2 4.16Å; R1244-Y1310 HydrophobicContact CG-CE1 3.99Å; R1244-Y1310 HydrophobicContact CG-CE2 3.67Å; R1244-Y1310 WeakPolarHBondContact O-CE1 3.44Å |
| 1245 | S | 81.5 | Confident | 86.2 | Confident | 15 Ų | 15 | 32 Ų | 32 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | L1241 A1242 V1243 E1248 L1249 | L1241-S1245 WeakPolarHBondContact O-CB 3.31Å; L1241-S1245 PolarHBondContact O-N 3.29Å; L1241-S1245 PolarHBondContact O-OG 2.96Å; A1242-S1245 PolarHBondContact O-N 2.78Å; V1243-S1245 PolarHBondContact O-N 2.97Å; S1245-E1248 PolarHBondContact O-N 3.1Å; S1245-L1249 WeakPolarHBondContact O-CG 3.44Å; S1245-L1249 PolarHBondContact O-N 3.28Å |
| 1246 | V | 83.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -47.9 | 173.4 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | T55 L56 L59 L75 A1242 V1243 E1248 L1249 C1250 | T55-V1246 HydrophobicContact CG2-CG1 4.48Å; T55-V1246 HydrophobicContact CG2-CG2 4.47Å; L56-V1246 HydrophobicContact CB-CG2 3.7Å; L56-V1246 HydrophobicContact CD1-CG2 3.85Å; L56-V1246 HydrophobicContact CG-CG2 4.37Å; L59-V1246 HydrophobicContact CD1-CB 4.28Å; L59-V1246 HydrophobicContact CD1-CG1 3.61Å; L59-V1246 HydrophobicContact CD1-CG2 3.96Å; L75-V1246 HydrophobicContact CD1-CB 3.9Å; L75-V1246 HydrophobicContact CD1-CG1 3.66Å; L75-V1246 HydrophobicContact CG-CG1 4.27Å; A1242-V1246 WeakPolarHBondContact O-CG2 3.42Å; A1242-V1246 PolarHBondContact O-N 2.94Å; A1242-V1246 VanDerWaalsContact O-N 3.09Å; V1243-V1246 PolarHBondContact O-N 2.93Å; V1246-E1248 VanDerWaalsContact C-N 3.27Å; V1246-E1248 PolarHBondContact O-N 3.41Å; V1246-L1249 PolarHBondContact O-N 3.37Å; V1246-C1250 WeakPolarHBondContact O-CB 3.29Å; V1246-C1250 PolarHBondContact O-N 3.09Å; V1246-C1250 PolarHBondContact O-SG 2.93Å; V1246-C1250 VanDerWaalsContact O-SG 3.39Å |
| 1247 | L | 88.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 177.6 | -70.8 | 167.8 | 0 | 0 | 0 | 111.7 | V1243 R1244 C1250 V1251 Q1307 Y1310 | V1243-L1247 HydrophobicContact CG1-CD1 3.84Å; V1243-L1247 WeakPolarHBondContact O-CG 2.75Å; V1243-L1247 PolarHBondContact O-N 2.89Å; R1244-L1247 PolarHBondContact O-N 3.44Å; L1247-C1250 PolarHBondContact O-N 2.94Å; L1247-V1251 WeakPolarHBondContact O-CB 3.48Å; L1247-V1251 VanDerWaalsContact O-CG2 3.29Å; L1247-V1251 WeakPolarHBondContact O-CG2 3.17Å; L1247-V1251 PolarHBondContact O-N 3.44Å; L1247-Q1307 HydrophobicContact CD1-CB 3.8Å; L1247-Q1307 HydrophobicContact CD1-CG 4.04Å; L1247-Q1307 HydrophobicContact CD2-CB 4.15Å; L1247-Y1310 HydrophobicContact CB-CD1 3.87Å; L1247-Y1310 HydrophobicContact CB-CE1 4.16Å; L1247-Y1310 HydrophobicContact CD1-CD1 3.79Å; L1247-Y1310 HydrophobicContact CD1-CG 4.43Å |
| 1248 | E | 83.9 | Confident | 85.1 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 176 | -179 | 146.3 | -165.6 | 0 | 0 | 112.4 | T337 R1244 S1245 V1246 C1250 V1251 H1252 R1317 | T337-E1248 WeakPolarHBondContact CB-OE1 3.47Å; R1244-E1248 WeakPolarHBondContact O-CB 3.37Å; R1244-E1248 PolarHBondContact O-N 3.26Å; S1245-E1248 PolarHBondContact O-N 3.1Å; V1246-E1248 VanDerWaalsContact C-N 3.27Å; V1246-E1248 PolarHBondContact O-N 3.41Å; E1248-C1250 PolarHBondContact O-N 3.32Å; E1248-V1251 PolarHBondContact O-N 3.33Å; E1248-H1252 WeakPolarHBondContact O-CB 3.35Å; E1248-H1252 PolarHBondContact O-CD2 3.21Å; E1248-H1252 VanDerWaalsContact O-CD2 3.31Å; E1248-H1252 PolarHBondContact O-N 3.36Å; E1248-H1252 IonicContact OE1-NE2 3.86Å; E1248-R1317 IonicContact OE1-CZ 3.59Å; E1248-R1317 IonicContact OE1-NH1 2.73Å; E1248-R1317 PolarHBondContact OE1-NH1 2.94Å; E1248-R1317 IonicContact OE1-NH2 3.91Å; E1248-R1317 PolarHBondContact OE1-NH2 3.11Å; E1248-R1317 IonicContact OE2-CZ 3.55Å; E1248-R1317 IonicContact OE2-NH2 3.23Å; E1248-R1317 PolarHBondContact OE2-NH2 2.8Å |
| 1249 | L | 80.5 | Confident | 85.3 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.9 | -72.6 | 167.1 | 0 | 0 | 0 | 112.1 | L56 V60 S1245 V1246 H1252 L1253 | L56-L1249 HydrophobicContact CD1-CD1 3.91Å; V60-L1249 HydrophobicContact CG2-CD1 4.14Å; S1245-L1249 WeakPolarHBondContact O-CG 3.44Å; S1245-L1249 PolarHBondContact O-N 3.28Å; V1246-L1249 PolarHBondContact O-N 3.37Å; L1249-H1252 PolarHBondContact O-N 3.41Å; L1249-L1253 WeakPolarHBondContact O-CB 3.39Å; L1249-L1253 WeakPolarHBondContact O-CD1 3.32Å; L1249-L1253 WeakPolarHBondContact O-CG 3.49Å; L1249-L1253 PolarHBondContact O-N 3.17Å |
| 1250 | C | 84.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.3 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | V1246 L1247 E1248 L1253 F1254 L1300 | V1246-C1250 WeakPolarHBondContact O-CB 3.29Å; V1246-C1250 PolarHBondContact O-N 3.09Å; V1246-C1250 PolarHBondContact O-SG 2.93Å; V1246-C1250 VanDerWaalsContact O-SG 3.39Å; L1247-C1250 PolarHBondContact O-N 2.94Å; E1248-C1250 PolarHBondContact O-N 3.32Å; C1250-L1253 PolarHBondContact O-N 2.75Å; C1250-F1254 WeakPolarHBondContact O-CB 3.39Å; C1250-F1254 PolarHBondContact O-N 2.83Å; C1250-L1300 HydrophobicContact CB-CD2 3.92Å |
| 1251 | V | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 177.7 | 167.4 | 0 | 0 | 0 | 0 | 111.9 | L1247 E1248 L1253 F1254 L1255 L1300 A1311 C1314 I1315 L1318 | L1247-V1251 WeakPolarHBondContact O-CB 3.48Å; L1247-V1251 VanDerWaalsContact O-CG2 3.29Å; L1247-V1251 WeakPolarHBondContact O-CG2 3.17Å; L1247-V1251 PolarHBondContact O-N 3.44Å; E1248-V1251 PolarHBondContact O-N 3.33Å; V1251-L1253 PolarHBondContact O-N 2.62Å; V1251-F1254 PolarHBondContact O-N 2.94Å; V1251-L1255 HydrophobicContact CG1-CD1 4.1Å; V1251-L1255 HydrophobicContact CG1-CG 4.43Å; V1251-L1255 WeakPolarHBondContact O-CG 3.38Å; V1251-L1255 PolarHBondContact O-N 3.42Å; V1251-L1300 HydrophobicContact CG2-CD2 4.29Å; V1251-A1311 HydrophobicContact CG2-CB 3.92Å; V1251-C1314 HydrophobicContact CB-CB 4.44Å; V1251-C1314 HydrophobicContact CG1-CB 4.15Å; V1251-C1314 HydrophobicContact CG2-CB 4.39Å; V1251-I1315 HydrophobicContact CG1-CB 4.43Å; V1251-I1315 HydrophobicContact CG1-CG1 3.52Å; V1251-I1315 HydrophobicContact CG2-CG1 4.31Å; V1251-L1318 HydrophobicContact CG1-CD1 4.02Å |
| 1252 | H | 84.4 | Confident | 85.8 | Confident | 32 Ų | 32 | 36.5 Ų | 36.5 | 15% | 0.148 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 173.8 | -94.7 | -80.9 | 0 | 0 | 0 | 111.3 | E1248 L1249 L1255 E1256 L1318 | E1248-H1252 WeakPolarHBondContact O-CB 3.35Å; E1248-H1252 PolarHBondContact O-CD2 3.21Å; E1248-H1252 VanDerWaalsContact O-CD2 3.31Å; E1248-H1252 PolarHBondContact O-N 3.36Å; E1248-H1252 IonicContact OE1-NE2 3.86Å; L1249-H1252 PolarHBondContact O-N 3.41Å; H1252-L1255 PolarHBondContact O-N 3.14Å; H1252-E1256 WeakPolarHBondContact O-CB 3.31Å; H1252-E1256 WeakPolarHBondContact O-CG 3.36Å; H1252-E1256 PolarHBondContact O-N 2.93Å; H1252-L1318 VanDerWaalsContact CE1-CD2 3.46Å; H1252-L1318 WeakPolarHBondContact CE1-CD2 3.24Å |
| 1253 | L | 82 | Confident | 86.2 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 19% | 0.194 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.7 | -35.3 | -178.4 | -69.8 | 165.8 | 0 | 0 | 0 | 112.4 | L68 L1249 C1250 V1251 Q1257 M1299 | L68-L1253 HydrophobicContact CD1-CD1 4.09Å; L68-L1253 HydrophobicContact CD2-CD1 3.37Å; L68-L1253 HydrophobicContact CG-CD1 4.39Å; L1249-L1253 WeakPolarHBondContact O-CB 3.39Å; L1249-L1253 WeakPolarHBondContact O-CD1 3.32Å; L1249-L1253 WeakPolarHBondContact O-CG 3.49Å; L1249-L1253 PolarHBondContact O-N 3.17Å; C1250-L1253 PolarHBondContact O-N 2.75Å; V1251-L1253 PolarHBondContact O-N 2.62Å; L1253-Q1257 WeakPolarHBondContact O-CB 3.37Å; L1253-Q1257 VanDerWaalsContact O-CG 3.29Å; L1253-Q1257 WeakPolarHBondContact O-CG 3.22Å; L1253-Q1257 PolarHBondContact O-N 3.25Å; L1253-M1299 HydrophobicContact CB-CE 3.71Å; L1253-M1299 HydrophobicContact CD1-CE 4.4Å |
| 1254 | F | 88.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -51.1 | 170.1 | 165 | -110.3 | 0 | 0 | 0 | 111.5 | C1250 V1251 R1258 C1259 I1290 A1294 E1297 I1315 | C1250-F1254 WeakPolarHBondContact O-CB 3.39Å; C1250-F1254 PolarHBondContact O-N 2.83Å; V1251-F1254 PolarHBondContact O-N 2.94Å; F1254-R1258 HydrophobicContact CD2-CB 4.12Å; F1254-R1258 HydrophobicContact CD2-CG 4.05Å; F1254-R1258 HydrophobicContact CE2-CB 4.35Å; F1254-R1258 WeakPolarHBondContact O-CA 3.3Å; F1254-R1258 VanDerWaalsContact O-CB 3.27Å; F1254-R1258 WeakPolarHBondContact O-CB 3.3Å; F1254-R1258 PolarHBondContact O-N 3.33Å; F1254-C1259 PolarHBondContact O-N 3.11Å; F1254-I1290 HydrophobicContact CE1-CG2 3.82Å; F1254-I1290 HydrophobicContact CZ-CG2 4.31Å; F1254-A1294 HydrophobicContact CE1-CB 3.84Å; F1254-A1294 HydrophobicContact CZ-CB 3.9Å; F1254-E1297 HydrophobicContact CD2-CB 4Å; F1254-E1297 HydrophobicContact CD2-CG 3.73Å; F1254-E1297 HydrophobicContact CE2-CB 4.1Å; F1254-E1297 HydrophobicContact CE2-CG 4.3Å; F1254-I1315 HydrophobicContact CE1-CD1 4.32Å |
| 1255 | L | 88.3 | Confident | 86.7 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -65 | -43.5 | -179.6 | -69.3 | 178.1 | 0 | 0 | 0 | 112.6 | V1251 H1252 C1259 D1260 I1290 L1318 | V1251-L1255 HydrophobicContact CG1-CD1 4.1Å; V1251-L1255 HydrophobicContact CG1-CG 4.43Å; V1251-L1255 WeakPolarHBondContact O-CG 3.38Å; V1251-L1255 PolarHBondContact O-N 3.42Å; H1252-L1255 PolarHBondContact O-N 3.14Å; L1255-C1259 HydrophobicContact CD2-CB 4.22Å; L1255-C1259 CarbonylContact O-C 3.6Å; L1255-C1259 PolarHBondContact O-N 3.29Å; L1255-D1260 PolarHBondContact O-N 2.96Å; L1255-I1290 HydrophobicContact CD2-CG2 3.99Å; L1255-L1318 HydrophobicContact CD1-CB 3.85Å; L1255-L1318 HydrophobicContact CD1-CD1 3.97Å |
| 1256 | E | 82.6 | Confident | 87.4 | Confident | 84 Ų | 84 | 39.8 Ų | 39.8 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -78 | -28.4 | -177.7 | -67.8 | -172.3 | 167.8 | 0 | 0 | 113.8 | N340 H1252 D1260 R1322 | N340-E1256 PolarHBondContact ND2-OE1 3.27Å; H1252-E1256 WeakPolarHBondContact O-CB 3.31Å; H1252-E1256 WeakPolarHBondContact O-CG 3.36Å; H1252-E1256 PolarHBondContact O-N 2.93Å; E1256-D1260 WeakPolarHBondContact O-CB 3.39Å; E1256-R1322 IonicContact OE1-NH2 2.66Å |
| 1257 | Q | 83.3 | Confident | 87.8 | Confident | 77 Ų | 77 | 41 Ų | 41 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -101.9 | -21.9 | -179.2 | -58.5 | -173 | 8.7 | 0 | 0 | 115.8 | L1253 | L1253-Q1257 WeakPolarHBondContact O-CB 3.37Å; L1253-Q1257 VanDerWaalsContact O-CG 3.29Å; L1253-Q1257 WeakPolarHBondContact O-CG 3.22Å; L1253-Q1257 PolarHBondContact O-N 3.25Å |
| 1258 | R | 85.3 | Confident | 88 | Confident | 112 Ų | 112 | 46.8 Ų | 46.8 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -113.3 | -44.3 | -177.3 | -52.4 | -65.5 | -178.8 | -94.7 | -15.5 | 112.1 | F1254 E1297 | F1254-R1258 HydrophobicContact CD2-CB 4.12Å; F1254-R1258 HydrophobicContact CD2-CG 4.05Å; F1254-R1258 HydrophobicContact CE2-CB 4.35Å; F1254-R1258 WeakPolarHBondContact O-CA 3.3Å; F1254-R1258 VanDerWaalsContact O-CB 3.27Å; F1254-R1258 WeakPolarHBondContact O-CB 3.3Å; F1254-R1258 PolarHBondContact O-N 3.33Å; R1258-E1297 IonicContact CZ-OE1 2.81Å; R1258-E1297 IonicContact NE-OE1 2.65Å; R1258-E1297 PolarHBondContact NE-OE1 3.23Å; R1258-E1297 VanDerWaalsContact NE-OE1 3.17Å; R1258-E1297 IonicContact NE-OE2 2.95Å; R1258-E1297 IonicContact NH2-OE1 3.09Å; R1258-E1297 PolarHBondContact NH2-OE1 2.86Å |
| 1259 | C | 88.7 | Confident | 88.5 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -102.5 | -3.2 | -170.6 | -63.4 | 0 | 0 | 0 | 0 | 115.1 | F1254 L1255 S1261 Q1262 L1263 I1290 | F1254-C1259 PolarHBondContact O-N 3.11Å; L1255-C1259 HydrophobicContact CD2-CB 4.22Å; L1255-C1259 CarbonylContact O-C 3.6Å; L1255-C1259 PolarHBondContact O-N 3.29Å; C1259-S1261 VanDerWaalsContact C-N 3.28Å; C1259-S1261 PolarHBondContact O-N 3.21Å; C1259-S1261 VanDerWaalsContact O-N 3.14Å; C1259-Q1262 CarbonylContact O-C 3.6Å; C1259-Q1262 WeakPolarHBondContact O-CA 3.01Å; C1259-Q1262 WeakPolarHBondContact O-CB 3.29Å; C1259-Q1262 PolarHBondContact O-N 3.25Å; C1259-L1263 WeakPolarHBondContact O-CB 3.43Å; C1259-L1263 PolarHBondContact O-N 3.43Å; C1259-I1290 HydrophobicContact CB-CD1 4.09Å |
| 1260 | D | 88.7 | Confident | 89.1 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -51.5 | -40.4 | -175.1 | 169.8 | 74.7 | 0 | 0 | 0 | 114.1 | L1255 E1256 L1263 K1264 | L1255-D1260 PolarHBondContact O-N 2.96Å; E1256-D1260 WeakPolarHBondContact O-CB 3.39Å; D1260-L1263 PolarHBondContact O-N 3.19Å; D1260-K1264 WeakPolarHBondContact O-CB 3.42Å; D1260-K1264 VanDerWaalsContact O-CG 3.31Å; D1260-K1264 WeakPolarHBondContact O-CG 3.44Å; D1260-K1264 PolarHBondContact O-N 2.73Å; D1260-K1264 WeakPolarHBondContact OD1-CE 3.24Å; D1260-K1264 IonicContact OD1-NZ 3.12Å; D1260-K1264 PolarHBondContact OD1-NZ 2.85Å; D1260-K1264 WeakPolarHBondContact OD2-CE 3.36Å; D1260-K1264 IonicContact OD2-NZ 2.69Å; D1260-K1264 PolarHBondContact OD2-NZ 2.89Å |
| 1261 | S | 90.2 | Very high | 89.3 | Confident | 86 Ų | 86 | 54.3 Ų | 54.3 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | C1259 A1265 | C1259-S1261 VanDerWaalsContact C-N 3.28Å; C1259-S1261 PolarHBondContact O-N 3.21Å; C1259-S1261 VanDerWaalsContact O-N 3.14Å; S1261-A1265 WeakPolarHBondContact O-CB 3.06Å; S1261-A1265 PolarHBondContact O-N 2.24Å; S1261-A1265 VanDerWaalsContact O-N 3.13Å |
| 1262 | Q | 92.1 | Very high | 89.3 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 41% | 0.407 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 175.3 | -60.6 | 178.8 | -9 | 0 | 0 | 111.1 | C1259 A1265 F1266 F1286 | C1259-Q1262 CarbonylContact O-C 3.6Å; C1259-Q1262 WeakPolarHBondContact O-CA 3.01Å; C1259-Q1262 WeakPolarHBondContact O-CB 3.29Å; C1259-Q1262 PolarHBondContact O-N 3.25Å; Q1262-A1265 PolarHBondContact O-N 2.95Å; Q1262-F1266 WeakPolarHBondContact O-CB 3.34Å; Q1262-F1266 PolarHBondContact O-N 3.5Å; Q1262-F1286 HydrophobicContact CB-CE2 4.34Å |
| 1263 | L | 91.1 | Very high | 89.5 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 178.5 | -176.1 | 62.1 | 0 | 0 | 0 | 111.3 | C1259 D1260 F1266 V1267 F1286 V1319 | C1259-L1263 WeakPolarHBondContact O-CB 3.43Å; C1259-L1263 PolarHBondContact O-N 3.43Å; D1260-L1263 PolarHBondContact O-N 3.19Å; L1263-F1266 HydrophobicContact CD1-CD1 4.33Å; L1263-F1266 PolarHBondContact O-N 3.29Å; L1263-V1267 VanDerWaalsContact O-CG2 3.28Å; L1263-V1267 WeakPolarHBondContact O-CG2 3.33Å; L1263-V1267 PolarHBondContact O-N 3.02Å; L1263-F1286 HydrophobicContact CB-CZ 4.41Å; L1263-F1286 HydrophobicContact CD1-CE1 3.92Å; L1263-F1286 HydrophobicContact CD1-CZ 3.98Å; L1263-V1319 HydrophobicContact CD1-CG1 4.47Å; L1263-V1319 HydrophobicContact CD1-CG2 4.1Å |
| 1264 | K | 91.1 | Very high | 89.5 | Confident | 118 Ų | 118 | 67.9 Ų | 67.9 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.2 | -77.1 | 166.5 | 177.3 | 158.4 | 0 | 112.2 | D1260 V1267 Q1268 | D1260-K1264 WeakPolarHBondContact O-CB 3.42Å; D1260-K1264 VanDerWaalsContact O-CG 3.31Å; D1260-K1264 WeakPolarHBondContact O-CG 3.44Å; D1260-K1264 PolarHBondContact O-N 2.73Å; D1260-K1264 WeakPolarHBondContact OD1-CE 3.24Å; D1260-K1264 IonicContact OD1-NZ 3.12Å; D1260-K1264 PolarHBondContact OD1-NZ 2.85Å; D1260-K1264 WeakPolarHBondContact OD2-CE 3.36Å; D1260-K1264 IonicContact OD2-NZ 2.69Å; D1260-K1264 PolarHBondContact OD2-NZ 2.89Å; K1264-V1267 PolarHBondContact O-N 3.32Å; K1264-Q1268 WeakPolarHBondContact O-CG 3.07Å; K1264-Q1268 PolarHBondContact O-N 2.75Å; K1264-Q1268 VanDerWaalsContact O-N 3.12Å |
| 1265 | A | 93.2 | Very high | 89.3 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1261 Q1262 Q1268 Q1269 | S1261-A1265 WeakPolarHBondContact O-CB 3.06Å; S1261-A1265 PolarHBondContact O-N 2.24Å; S1261-A1265 VanDerWaalsContact O-N 3.13Å; Q1262-A1265 PolarHBondContact O-N 2.95Å; A1265-Q1268 PolarHBondContact O-N 2.72Å; A1265-Q1269 WeakPolarHBondContact O-CG 3.31Å; A1265-Q1269 PolarHBondContact O-N 3.22Å |
| 1266 | F | 95.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 174.7 | 165 | -101.2 | 0 | 0 | 0 | 112.2 | Q1262 L1263 Q1268 Q1269 F1270 L1282 L1283 F1286 V1319 I1323 | Q1262-F1266 WeakPolarHBondContact O-CB 3.34Å; Q1262-F1266 PolarHBondContact O-N 3.5Å; L1263-F1266 HydrophobicContact CD1-CD1 4.33Å; L1263-F1266 PolarHBondContact O-N 3.29Å; F1266-Q1268 VanDerWaalsContact C-N 3.32Å; F1266-Q1268 PolarHBondContact O-N 3.35Å; F1266-Q1269 PolarHBondContact O-N 3.46Å; F1266-F1270 HydrophobicContact CE2-CD2 4.25Å; F1266-F1270 HydrophobicContact CZ-CB 4.42Å; F1266-F1270 AromaticContact CZ-CD2 3.93Å; F1266-F1270 HydrophobicContact CZ-CD2 3.93Å; F1266-F1270 HydrophobicContact CZ-CG 4.42Å; F1266-F1270 VanDerWaalsContact O-CB 3.32Å; F1266-F1270 WeakPolarHBondContact O-CB 3.16Å; F1266-F1270 PolarHBondContact O-N 3.44Å; F1266-L1282 HydrophobicContact CD2-CD2 4.26Å; F1266-L1282 HydrophobicContact CD2-CG 4.16Å; F1266-L1282 HydrophobicContact CE2-CD2 4.16Å; F1266-L1282 HydrophobicContact CE2-CG 3.96Å; F1266-L1283 HydrophobicContact CE1-CD1 4.4Å; F1266-L1283 HydrophobicContact CZ-CB 4.39Å; F1266-L1283 HydrophobicContact CZ-CD1 3.72Å; F1266-F1286 HydrophobicContact CB-CD1 4.34Å; F1266-F1286 HydrophobicContact CB-CD2 3.73Å; F1266-F1286 HydrophobicContact CB-CE1 4.25Å; F1266-F1286 HydrophobicContact CB-CE2 3.62Å; F1266-F1286 HydrophobicContact CB-CG 4.1Å; F1266-F1286 HydrophobicContact CB-CZ 3.9Å; F1266-F1286 AromaticContact CD1-CD1 3.79Å; F1266-F1286 HydrophobicContact CD1-CD1 3.79Å; F1266-F1286 AromaticContact CD1-CE1 3.79Å; F1266-F1286 HydrophobicContact CD1-CE1 3.79Å; F1266-F1286 HydrophobicContact CD1-CG 4.24Å; F1266-F1286 HydrophobicContact CD1-CZ 4.25Å; F1266-F1286 HydrophobicContact CD2-CB 3.56Å; F1266-F1286 AromaticContact CD2-CD1 3.81Å; F1266-F1286 HydrophobicContact CD2-CD1 3.81Å; F1266-F1286 AromaticContact CD2-CD2 3.88Å; F1266-F1286 HydrophobicContact CD2-CD2 3.88Å; F1266-F1286 HydrophobicContact CD2-CE1 4.48Å; F1266-F1286 AromaticContact CD2-CG 3.46Å; F1266-F1286 HydrophobicContact CD2-CG 3.46Å; F1266-F1286 VanDerWaalsContact CD2-CG 3.46Å; F1266-F1286 HydrophobicContact CE1-CD1 4.01Å; F1266-F1286 HydrophobicContact CE1-CE1 4.29Å; F1266-F1286 HydrophobicContact CE2-CB 3.69Å; F1266-F1286 HydrophobicContact CE2-CD1 4.02Å; F1266-F1286 AromaticContact CE2-CG 3.91Å; F1266-F1286 HydrophobicContact CE2-CG 3.91Å; F1266-F1286 HydrophobicContact CG-CB 4.28Å; F1266-F1286 AromaticContact CG-CD1 3.68Å; F1266-F1286 HydrophobicContact CG-CD1 3.68Å; F1266-F1286 AromaticContact CG-CD2 3.83Å; F1266-F1286 HydrophobicContact CG-CD2 3.83Å; F1266-F1286 AromaticContact CG-CE1 3.9Å; F1266-F1286 HydrophobicContact CG-CE1 3.9Å; F1266-F1286 HydrophobicContact CG-CE2 4.05Å; F1266-F1286 AromaticContact CG-CG 3.65Å; F1266-F1286 HydrophobicContact CG-CG 3.65Å; F1266-F1286 HydrophobicContact CG-CZ 4.08Å; F1266-F1286 HydrophobicContact CZ-CB 4.49Å; F1266-F1286 HydrophobicContact CZ-CD1 4.13Å; F1266-F1286 HydrophobicContact CZ-CG 4.48Å; F1266-V1319 HydrophobicContact CD1-CG1 4.36Å; F1266-V1319 HydrophobicContact CE1-CG1 3.71Å; F1266-V1319 HydrophobicContact CZ-CG1 4.32Å; F1266-I1323 HydrophobicContact CE1-CD1 4.06Å; F1266-I1323 HydrophobicContact CE1-CG2 3.85Å; F1266-I1323 HydrophobicContact CZ-CD1 4.01Å |
| 1267 | V | 92.3 | Very high | 89.2 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 16% | 0.158 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L1263 K1264 F1270 Q1271 R1322 I1323 | L1263-V1267 VanDerWaalsContact O-CG2 3.28Å; L1263-V1267 WeakPolarHBondContact O-CG2 3.33Å; L1263-V1267 PolarHBondContact O-N 3.02Å; K1264-V1267 PolarHBondContact O-N 3.32Å; V1267-F1270 PolarHBondContact O-N 2.66Å; V1267-Q1271 WeakPolarHBondContact O-CB 3.19Å; V1267-Q1271 VanDerWaalsContact O-CG 3.28Å; V1267-Q1271 WeakPolarHBondContact O-CG 3.38Å; V1267-Q1271 PolarHBondContact O-N 3.18Å; V1267-R1322 HydrophobicContact CG2-CB 4.43Å; V1267-I1323 HydrophobicContact CG2-CG2 3.87Å |
| 1268 | Q | 92.2 | Very high | 89.5 | Confident | 122 Ų | 122 | 74.5 Ų | 74.5 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 177.1 | -73.2 | -179.4 | -6.6 | 0 | 0 | 112.8 | K1264 A1265 F1266 Q1272 | K1264-Q1268 WeakPolarHBondContact O-CG 3.07Å; K1264-Q1268 PolarHBondContact O-N 2.75Å; K1264-Q1268 VanDerWaalsContact O-N 3.12Å; A1265-Q1268 PolarHBondContact O-N 2.72Å; F1266-Q1268 VanDerWaalsContact C-N 3.32Å; F1266-Q1268 PolarHBondContact O-N 3.35Å; Q1268-Q1272 WeakPolarHBondContact O-CG 3.46Å; Q1268-Q1272 PolarHBondContact O-N 2.9Å; Q1268-Q1272 PolarHBondContact O-NE2 3.5Å |
| 1269 | Q | 94.5 | Very high | 89.8 | Confident | 107 Ų | 107 | 69.6 Ų | 69.6 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.3 | -71.9 | 178.9 | 7.9 | 0 | 0 | 111.7 | A1265 F1266 Q1271 Q1272 L1273 L1282 | A1265-Q1269 WeakPolarHBondContact O-CG 3.31Å; A1265-Q1269 PolarHBondContact O-N 3.22Å; F1266-Q1269 PolarHBondContact O-N 3.46Å; Q1269-Q1271 VanDerWaalsContact C-N 3.3Å; Q1269-Q1271 PolarHBondContact O-N 3.43Å; Q1269-Q1272 PolarHBondContact O-N 2.84Å; Q1269-Q1272 VanDerWaalsContact O-N 3.11Å; Q1269-L1273 PolarHBondContact O-N 3.49Å; Q1269-L1282 HydrophobicContact CB-CD2 4Å |
| 1270 | F | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 178.9 | -171.9 | -85.3 | 0 | 0 | 0 | 112.4 | F1266 V1267 Q1272 K1279 L1282 I1323 A1327 F1442 | F1266-F1270 HydrophobicContact CE2-CD2 4.25Å; F1266-F1270 HydrophobicContact CZ-CB 4.42Å; F1266-F1270 AromaticContact CZ-CD2 3.93Å; F1266-F1270 HydrophobicContact CZ-CD2 3.93Å; F1266-F1270 HydrophobicContact CZ-CG 4.42Å; F1266-F1270 VanDerWaalsContact O-CB 3.32Å; F1266-F1270 WeakPolarHBondContact O-CB 3.16Å; F1266-F1270 PolarHBondContact O-N 3.44Å; V1267-F1270 PolarHBondContact O-N 2.66Å; F1270-Q1272 VanDerWaalsContact C-N 3.33Å; F1270-K1279 HydrophobicContact CD2-CB 4.28Å; F1270-K1279 HydrophobicContact CD2-CG 4.22Å; F1270-K1279 HydrophobicContact CE1-CD 3.95Å; F1270-K1279 HydrophobicContact CE1-CG 4.29Å; F1270-K1279 HydrophobicContact CE2-CB 3.6Å; F1270-K1279 HydrophobicContact CE2-CD 4.31Å; F1270-K1279 HydrophobicContact CE2-CG 3.86Å; F1270-K1279 WeakPolarHBondContact CE2-O 3.22Å; F1270-K1279 HydrophobicContact CZ-CB 3.85Å; F1270-K1279 HydrophobicContact CZ-CD 3.8Å; F1270-K1279 HydrophobicContact CZ-CG 3.88Å; F1270-K1279 WeakPolarHBondContact O-CE 3.12Å; F1270-L1282 HydrophobicContact CB-CD2 4.2Å; F1270-L1282 HydrophobicContact CD2-CD2 4.49Å; F1270-I1323 HydrophobicContact CD1-CB 3.99Å; F1270-I1323 HydrophobicContact CD1-CD1 4.28Å; F1270-I1323 HydrophobicContact CD1-CG2 4.07Å; F1270-I1323 HydrophobicContact CD2-CD1 4.04Å; F1270-I1323 HydrophobicContact CE1-CB 4.01Å; F1270-I1323 HydrophobicContact CE1-CD1 3.99Å; F1270-I1323 HydrophobicContact CE1-CG1 4.38Å; F1270-I1323 HydrophobicContact CE2-CD1 3.72Å; F1270-I1323 HydrophobicContact CG-CD1 4.31Å; F1270-I1323 HydrophobicContact CG-CG2 4.26Å; F1270-I1323 HydrophobicContact CZ-CD1 3.7Å; F1270-I1323 HydrophobicContact CZ-CG1 4.48Å; F1270-A1327 HydrophobicContact CE1-CB 3.83Å; F1270-A1327 HydrophobicContact CZ-CB 3.73Å; F1270-F1442 HydrophobicContact CE2-CE1 4.11Å; F1270-F1442 HydrophobicContact CE2-CZ 4.29Å; F1270-F1442 HydrophobicContact CZ-CE1 4.1Å; F1270-F1442 AromaticContact CZ-CZ 3.84Å; F1270-F1442 HydrophobicContact CZ-CZ 3.84Å |
| 1271 | Q | 89.8 | Confident | 89.9 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.8 | -24.5 | 175.4 | -75.5 | 173.3 | -14.3 | 0 | 0 | 113.9 | V1267 Q1269 | V1267-Q1271 WeakPolarHBondContact O-CB 3.19Å; V1267-Q1271 VanDerWaalsContact O-CG 3.28Å; V1267-Q1271 WeakPolarHBondContact O-CG 3.38Å; V1267-Q1271 PolarHBondContact O-N 3.18Å; Q1269-Q1271 VanDerWaalsContact C-N 3.3Å; Q1269-Q1271 PolarHBondContact O-N 3.43Å |
| 1272 | Q | 89.4 | Confident | 90.1 | Very high | 147 Ų | 147 | 68.7 Ų | 68.7 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -83.1 | -21.5 | 178.7 | -70.4 | 169 | 24.1 | 0 | 0 | 113.2 | Q1268 Q1269 F1270 | Q1268-Q1272 WeakPolarHBondContact O-CG 3.46Å; Q1268-Q1272 PolarHBondContact O-N 2.9Å; Q1268-Q1272 PolarHBondContact O-NE2 3.5Å; Q1269-Q1272 PolarHBondContact O-N 2.84Å; Q1269-Q1272 VanDerWaalsContact O-N 3.11Å; F1270-Q1272 VanDerWaalsContact C-N 3.33Å |
| 1273 | L | 88.2 | Confident | 90.1 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | trans | -72.7 | 139.9 | 178.6 | -68.7 | 176.3 | 0 | 0 | 0 | 111.9 | Q1269 E1278 K1279 L1282 | Q1269-L1273 PolarHBondContact O-N 3.49Å; L1273-E1278 HydrophobicContact CD1-CB 4.1Å; L1273-E1278 HydrophobicContact CD2-CB 4.15Å; L1273-K1279 HydrophobicContact CB-CG 3.81Å; L1273-K1279 HydrophobicContact CD1-CG 4.28Å; L1273-K1279 WeakPolarHBondContact O-CE 3.21Å; L1273-L1282 HydrophobicContact CD1-CB 4.03Å; L1273-L1282 HydrophobicContact CD1-CD2 3.69Å; L1273-L1282 HydrophobicContact CD1-CG 4.44Å | ||
| 1274 | Q | 81.6 | Confident | 90.2 | Very high | 159 Ų | 159 | 68.3 Ų | 68.3 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | trans | -96.7 | -40.2 | 179.2 | -67.8 | -82 | -66.6 | 0 | 0 | 112 | ||||
| 1275 | T | 83.8 | Confident | 90.3 | Very high | 65 Ų | 65 | 69.7 Ų | 69.7 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | trans | -89.5 | 148.5 | -173.8 | 79.7 | 0 | 0 | 0 | 0 | 113 | E1278 K1279 | T1275-E1278 WeakPolarHBondContact CB-OE2 3.1Å; T1275-E1278 WeakPolarHBondContact CG2-OE2 3.41Å; T1275-E1278 WeakPolarHBondContact OG1-CB 3.24Å; T1275-E1278 WeakPolarHBondContact OG1-CG 3.36Å; T1275-E1278 PolarHBondContact OG1-N 3.33Å; T1275-E1278 PolarHBondContact OG1-OE2 3.27Å; T1275-K1279 WeakPolarHBondContact O-CG 3.32Å; T1275-K1279 PolarHBondContact O-N 2.91Å | ||
| 1276 | Q | 83.4 | Confident | 90.4 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72 | -34.9 | -179.2 | -169.3 | 167.8 | -5.1 | 0 | 0 | 112.4 | K1279 T1280 Q1437 | Q1276-K1279 PolarHBondContact O-N 2.93Å; Q1276-T1280 WeakPolarHBondContact O-CB 3.22Å; Q1276-T1280 PolarHBondContact O-N 2.71Å; Q1276-T1280 PolarHBondContact O-OG1 3.36Å; Q1276-Q1437 PolarHBondContact NE2-O 3.49Å |
| 1277 | D | 85.7 | Confident | 90.4 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.5 | -49.9 | 175.7 | -62.2 | 4.3 | 0 | 0 | 0 | 110.4 | K1279 T1280 D1281 | D1277-K1279 PolarHBondContact O-N 3.44Å; D1277-T1280 PolarHBondContact O-N 2.79Å; D1277-T1280 VanDerWaalsContact O-N 3.14Å; D1277-D1281 PolarHBondContact O-N 3Å |
| 1278 | E | 89.7 | Confident | 90.4 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 178.4 | -68.6 | 166.2 | 140.4 | 0 | 0 | 112.6 | L1273 T1275 T1280 L1282 | L1273-E1278 HydrophobicContact CD1-CB 4.1Å; L1273-E1278 HydrophobicContact CD2-CB 4.15Å; T1275-E1278 WeakPolarHBondContact CB-OE2 3.1Å; T1275-E1278 WeakPolarHBondContact CG2-OE2 3.41Å; T1275-E1278 WeakPolarHBondContact OG1-CB 3.24Å; T1275-E1278 WeakPolarHBondContact OG1-CG 3.36Å; T1275-E1278 PolarHBondContact OG1-N 3.33Å; T1275-E1278 PolarHBondContact OG1-OE2 3.27Å; E1278-T1280 VanDerWaalsContact C-N 3.3Å; E1278-T1280 PolarHBondContact O-N 2.93Å; E1278-L1282 WeakPolarHBondContact O-CB 3.3Å; E1278-L1282 PolarHBondContact O-N 3.26Å |
| 1279 | K | 90.7 | Very high | 90.5 | Very high | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 173.5 | -82.3 | 179.8 | 176.7 | 176 | 0 | 111.6 | F1270 L1273 T1275 Q1276 D1277 L1283 S1326 F1442 | F1270-K1279 HydrophobicContact CD2-CB 4.28Å; F1270-K1279 HydrophobicContact CD2-CG 4.22Å; F1270-K1279 HydrophobicContact CE1-CD 3.95Å; F1270-K1279 HydrophobicContact CE1-CG 4.29Å; F1270-K1279 HydrophobicContact CE2-CB 3.6Å; F1270-K1279 HydrophobicContact CE2-CD 4.31Å; F1270-K1279 HydrophobicContact CE2-CG 3.86Å; F1270-K1279 WeakPolarHBondContact CE2-O 3.22Å; F1270-K1279 HydrophobicContact CZ-CB 3.85Å; F1270-K1279 HydrophobicContact CZ-CD 3.8Å; F1270-K1279 HydrophobicContact CZ-CG 3.88Å; F1270-K1279 WeakPolarHBondContact O-CE 3.12Å; L1273-K1279 HydrophobicContact CB-CG 3.81Å; L1273-K1279 HydrophobicContact CD1-CG 4.28Å; L1273-K1279 WeakPolarHBondContact O-CE 3.21Å; T1275-K1279 WeakPolarHBondContact O-CG 3.32Å; T1275-K1279 PolarHBondContact O-N 2.91Å; Q1276-K1279 PolarHBondContact O-N 2.93Å; D1277-K1279 PolarHBondContact O-N 3.44Å; K1279-L1283 PolarHBondContact O-N 2.88Å; K1279-S1326 PolarHBondContact NZ-O 2.87Å; K1279-F1442 HydrophobicContact CB-CE1 4.27Å; K1279-F1442 HydrophobicContact CB-CZ 4.15Å |
| 1280 | T | 89.3 | Confident | 90.5 | Very high | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -48.7 | 179.7 | -52.2 | 0 | 0 | 0 | 0 | 110.8 | Q1276 D1277 E1278 L1282 L1283 E1284 F1442 | Q1276-T1280 WeakPolarHBondContact O-CB 3.22Å; Q1276-T1280 PolarHBondContact O-N 2.71Å; Q1276-T1280 PolarHBondContact O-OG1 3.36Å; D1277-T1280 PolarHBondContact O-N 2.79Å; D1277-T1280 VanDerWaalsContact O-N 3.14Å; E1278-T1280 VanDerWaalsContact C-N 3.3Å; E1278-T1280 PolarHBondContact O-N 2.93Å; T1280-L1282 VanDerWaalsContact C-N 3.27Å; T1280-L1282 PolarHBondContact O-N 3.37Å; T1280-L1283 PolarHBondContact O-N 3.28Å; T1280-L1283 VanDerWaalsContact O-N 3.17Å; T1280-E1284 PolarHBondContact O-N 3.18Å; T1280-F1442 HydrophobicContact CG2-CD1 4.3Å |
| 1281 | D | 90.7 | Very high | 90.6 | Very high | 94 Ų | 94 | 69.5 Ų | 69.5 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.1 | -37.7 | 174.8 | -84.9 | -0.8 | 0 | 0 | 0 | 112.3 | D1277 R1285 | D1277-D1281 PolarHBondContact O-N 3Å; D1281-R1285 WeakPolarHBondContact O-CB 3.16Å; D1281-R1285 WeakPolarHBondContact O-CG 3.22Å; D1281-R1285 PolarHBondContact O-N 2.93Å; D1281-R1285 PolarHBondContact O-NE 3.2Å |
| 1282 | L | 94 | Very high | 90.7 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 177.4 | -175 | 69.1 | 0 | 0 | 0 | 111.2 | F1266 Q1269 F1270 L1273 E1278 T1280 F1286 | F1266-L1282 HydrophobicContact CD2-CD2 4.26Å; F1266-L1282 HydrophobicContact CD2-CG 4.16Å; F1266-L1282 HydrophobicContact CE2-CD2 4.16Å; F1266-L1282 HydrophobicContact CE2-CG 3.96Å; Q1269-L1282 HydrophobicContact CB-CD2 4Å; F1270-L1282 HydrophobicContact CB-CD2 4.2Å; F1270-L1282 HydrophobicContact CD2-CD2 4.49Å; L1273-L1282 HydrophobicContact CD1-CB 4.03Å; L1273-L1282 HydrophobicContact CD1-CD2 3.69Å; L1273-L1282 HydrophobicContact CD1-CG 4.44Å; E1278-L1282 WeakPolarHBondContact O-CB 3.3Å; E1278-L1282 PolarHBondContact O-N 3.26Å; T1280-L1282 VanDerWaalsContact C-N 3.27Å; T1280-L1282 PolarHBondContact O-N 3.37Å; L1282-F1286 WeakPolarHBondContact O-CB 3.25Å; L1282-F1286 PolarHBondContact O-N 2.91Å |
| 1283 | L | 93.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -49 | 176.7 | 177.8 | 69.7 | 0 | 0 | 0 | 111.6 | F1266 K1279 T1280 R1285 F1286 L1287 V1319 L1320 I1323 F1442 | F1266-L1283 HydrophobicContact CE1-CD1 4.4Å; F1266-L1283 HydrophobicContact CZ-CB 4.39Å; F1266-L1283 HydrophobicContact CZ-CD1 3.72Å; K1279-L1283 PolarHBondContact O-N 2.88Å; T1280-L1283 PolarHBondContact O-N 3.28Å; T1280-L1283 VanDerWaalsContact O-N 3.17Å; L1283-R1285 VanDerWaalsContact C-N 3.31Å; L1283-R1285 PolarHBondContact O-N 2.92Å; L1283-F1286 PolarHBondContact O-N 3.36Å; L1283-L1287 HydrophobicContact CD1-CD1 3.93Å; L1283-L1287 HydrophobicContact CD1-CD2 4.4Å; L1283-L1287 HydrophobicContact CD1-CG 3.89Å; L1283-L1287 HydrophobicContact CD2-CD1 4.35Å; L1283-L1287 HydrophobicContact CG-CD1 3.84Å; L1283-L1287 HydrophobicContact CG-CG 4.18Å; L1283-L1287 WeakPolarHBondContact O-CB 3.39Å; L1283-L1287 WeakPolarHBondContact O-CG 3.46Å; L1283-L1287 PolarHBondContact O-N 2.97Å; L1283-V1319 HydrophobicContact CD1-CG1 3.85Å; L1283-L1320 HydrophobicContact CD2-CD2 3.65Å; L1283-L1320 HydrophobicContact CD2-CG 4.43Å; L1283-I1323 HydrophobicContact CD1-CD1 4.1Å; L1283-F1442 HydrophobicContact CD2-CD1 3.71Å; L1283-F1442 HydrophobicContact CD2-CE1 4.33Å; L1283-F1442 HydrophobicContact CD2-CG 4.5Å |
| 1284 | E | 91.7 | Very high | 90.8 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | -179.8 | -72.4 | -165.5 | -179.1 | 0 | 0 | 111.9 | T1280 K1288 | T1280-E1284 PolarHBondContact O-N 3.18Å; E1284-K1288 WeakPolarHBondContact O-CB 3.49Å; E1284-K1288 PolarHBondContact O-N 3.3Å; E1284-K1288 VanDerWaalsContact O-N 3.07Å |
| 1285 | R | 94.6 | Very high | 91 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 174 | -77.6 | 176.4 | -77.2 | 152 | -6.6 | 111.9 | D1281 L1283 K1288 T1289 | D1281-R1285 WeakPolarHBondContact O-CB 3.16Å; D1281-R1285 WeakPolarHBondContact O-CG 3.22Å; D1281-R1285 PolarHBondContact O-N 2.93Å; D1281-R1285 PolarHBondContact O-NE 3.2Å; L1283-R1285 VanDerWaalsContact C-N 3.31Å; L1283-R1285 PolarHBondContact O-N 2.92Å; R1285-K1288 PolarHBondContact O-N 3.12Å; R1285-T1289 PolarHBondContact O-N 3.43Å; R1285-T1289 VanDerWaalsContact O-N 3.11Å; R1285-T1289 PolarHBondContact O-OG1 3.41Å |
| 1286 | F | 95.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 61 Ų | 61 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 179.3 | 179.8 | -106.7 | 0 | 0 | 0 | 112.1 | Q1262 L1263 F1266 L1282 L1283 K1288 T1289 I1290 V1319 | Q1262-F1286 HydrophobicContact CB-CE2 4.34Å; L1263-F1286 HydrophobicContact CB-CZ 4.41Å; L1263-F1286 HydrophobicContact CD1-CE1 3.92Å; L1263-F1286 HydrophobicContact CD1-CZ 3.98Å; F1266-F1286 HydrophobicContact CB-CD1 4.34Å; F1266-F1286 HydrophobicContact CB-CD2 3.73Å; F1266-F1286 HydrophobicContact CB-CE1 4.25Å; F1266-F1286 HydrophobicContact CB-CE2 3.62Å; F1266-F1286 HydrophobicContact CB-CG 4.1Å; F1266-F1286 HydrophobicContact CB-CZ 3.9Å; F1266-F1286 AromaticContact CD1-CD1 3.79Å; F1266-F1286 HydrophobicContact CD1-CD1 3.79Å; F1266-F1286 AromaticContact CD1-CE1 3.79Å; F1266-F1286 HydrophobicContact CD1-CE1 3.79Å; F1266-F1286 HydrophobicContact CD1-CG 4.24Å; F1266-F1286 HydrophobicContact CD1-CZ 4.25Å; F1266-F1286 HydrophobicContact CD2-CB 3.56Å; F1266-F1286 AromaticContact CD2-CD1 3.81Å; F1266-F1286 HydrophobicContact CD2-CD1 3.81Å; F1266-F1286 AromaticContact CD2-CD2 3.88Å; F1266-F1286 HydrophobicContact CD2-CD2 3.88Å; F1266-F1286 HydrophobicContact CD2-CE1 4.48Å; F1266-F1286 AromaticContact CD2-CG 3.46Å; F1266-F1286 HydrophobicContact CD2-CG 3.46Å; F1266-F1286 VanDerWaalsContact CD2-CG 3.46Å; F1266-F1286 HydrophobicContact CE1-CD1 4.01Å; F1266-F1286 HydrophobicContact CE1-CE1 4.29Å; F1266-F1286 HydrophobicContact CE2-CB 3.69Å; F1266-F1286 HydrophobicContact CE2-CD1 4.02Å; F1266-F1286 AromaticContact CE2-CG 3.91Å; F1266-F1286 HydrophobicContact CE2-CG 3.91Å; F1266-F1286 HydrophobicContact CG-CB 4.28Å; F1266-F1286 AromaticContact CG-CD1 3.68Å; F1266-F1286 HydrophobicContact CG-CD1 3.68Å; F1266-F1286 AromaticContact CG-CD2 3.83Å; F1266-F1286 HydrophobicContact CG-CD2 3.83Å; F1266-F1286 AromaticContact CG-CE1 3.9Å; F1266-F1286 HydrophobicContact CG-CE1 3.9Å; F1266-F1286 HydrophobicContact CG-CE2 4.05Å; F1266-F1286 AromaticContact CG-CG 3.65Å; F1266-F1286 HydrophobicContact CG-CG 3.65Å; F1266-F1286 HydrophobicContact CG-CZ 4.08Å; F1266-F1286 HydrophobicContact CZ-CB 4.49Å; F1266-F1286 HydrophobicContact CZ-CD1 4.13Å; F1266-F1286 HydrophobicContact CZ-CG 4.48Å; L1282-F1286 WeakPolarHBondContact O-CB 3.25Å; L1282-F1286 PolarHBondContact O-N 2.91Å; L1283-F1286 PolarHBondContact O-N 3.36Å; F1286-K1288 VanDerWaalsContact C-N 3.29Å; F1286-K1288 PolarHBondContact O-N 3.37Å; F1286-T1289 WeakPolarHBondContact O-CB 3.43Å; F1286-T1289 PolarHBondContact O-N 3.45Å; F1286-T1289 VanDerWaalsContact O-N 3.1Å; F1286-I1290 HydrophobicContact CD1-CG1 4.24Å; F1286-I1290 HydrophobicContact CD2-CG1 4.31Å; F1286-I1290 HydrophobicContact CE1-CD1 4.45Å; F1286-I1290 HydrophobicContact CE1-CG1 3.83Å; F1286-I1290 HydrophobicContact CE2-CD1 3.9Å; F1286-I1290 HydrophobicContact CE2-CG1 3.91Å; F1286-I1290 HydrophobicContact CG-CG1 4.47Å; F1286-I1290 HydrophobicContact CZ-CD1 3.79Å; F1286-I1290 HydrophobicContact CZ-CG1 3.65Å; F1286-I1290 WeakPolarHBondContact O-CG1 3.32Å; F1286-I1290 PolarHBondContact O-N 3.39Å; F1286-V1319 HydrophobicContact CD1-CG1 4.01Å; F1286-V1319 HydrophobicContact CE1-CG1 3.9Å; F1286-V1319 HydrophobicContact CE1-CG2 3.92Å |
| 1287 | L | 93.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 177.1 | -71.5 | 177.2 | 0 | 0 | 0 | 111.2 | L1283 T1289 I1290 Y1291 I1315 E1316 V1319 | L1283-L1287 HydrophobicContact CD1-CD1 3.93Å; L1283-L1287 HydrophobicContact CD1-CD2 4.4Å; L1283-L1287 HydrophobicContact CD1-CG 3.89Å; L1283-L1287 HydrophobicContact CD2-CD1 4.35Å; L1283-L1287 HydrophobicContact CG-CD1 3.84Å; L1283-L1287 HydrophobicContact CG-CG 4.18Å; L1283-L1287 WeakPolarHBondContact O-CB 3.39Å; L1283-L1287 WeakPolarHBondContact O-CG 3.46Å; L1283-L1287 PolarHBondContact O-N 2.97Å; L1287-T1289 PolarHBondContact O-N 3.09Å; L1287-I1290 PolarHBondContact O-N 2.91Å; L1287-Y1291 HydrophobicContact CB-CE1 4.42Å; L1287-Y1291 HydrophobicContact CB-CE2 4.24Å; L1287-Y1291 HydrophobicContact CD2-CE1 4.45Å; L1287-Y1291 WeakPolarHBondContact O-CD1 3.48Å; L1287-Y1291 PolarHBondContact O-N 2.9Å; L1287-I1315 HydrophobicContact CD2-CG2 4.3Å; L1287-E1316 HydrophobicContact CD1-CB 4.41Å; L1287-E1316 HydrophobicContact CD1-CG 4.16Å; L1287-E1316 HydrophobicContact CD2-CB 4.37Å; L1287-V1319 HydrophobicContact CD2-CB 4.09Å; L1287-V1319 HydrophobicContact CD2-CG1 4.18Å; L1287-V1319 HydrophobicContact CD2-CG2 4.17Å |
| 1288 | K | 93.8 | Very high | 91.1 | Very high | 145 Ų | 145 | 57.2 Ų | 57.2 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 176.7 | -170.5 | 174.5 | -175.6 | 176.2 | 0 | 112.9 | E1284 R1285 F1286 Y1291 C1292 | E1284-K1288 WeakPolarHBondContact O-CB 3.49Å; E1284-K1288 PolarHBondContact O-N 3.3Å; E1284-K1288 VanDerWaalsContact O-N 3.07Å; R1285-K1288 PolarHBondContact O-N 3.12Å; F1286-K1288 VanDerWaalsContact C-N 3.29Å; F1286-K1288 PolarHBondContact O-N 3.37Å; K1288-Y1291 PolarHBondContact O-N 3.47Å; K1288-C1292 PolarHBondContact O-N 3.07Å; K1288-C1292 VanDerWaalsContact O-N 3.15Å; K1288-C1292 PolarHBondContact O-SG 3.05Å |
| 1289 | T | 94.4 | Very high | 90.8 | Very high | 82 Ų | 82 | 53 Ų | 53 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 112 | R1285 F1286 L1287 S1293 | R1285-T1289 PolarHBondContact O-N 3.43Å; R1285-T1289 VanDerWaalsContact O-N 3.11Å; R1285-T1289 PolarHBondContact O-OG1 3.41Å; F1286-T1289 WeakPolarHBondContact O-CB 3.43Å; F1286-T1289 PolarHBondContact O-N 3.45Å; F1286-T1289 VanDerWaalsContact O-N 3.1Å; L1287-T1289 PolarHBondContact O-N 3.09Å; T1289-S1293 PolarHBondContact O-N 3.38Å; T1289-S1293 VanDerWaalsContact O-N 3.14Å; T1289-S1293 PolarHBondContact O-OG 2.82Å |
| 1290 | I | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.8 | -38 | 177.9 | -60.1 | -63.3 | 0 | 0 | 0 | 111.4 | F1254 L1255 C1259 F1286 L1287 S1293 A1294 I1315 | F1254-I1290 HydrophobicContact CE1-CG2 3.82Å; F1254-I1290 HydrophobicContact CZ-CG2 4.31Å; L1255-I1290 HydrophobicContact CD2-CG2 3.99Å; C1259-I1290 HydrophobicContact CB-CD1 4.09Å; F1286-I1290 HydrophobicContact CD1-CG1 4.24Å; F1286-I1290 HydrophobicContact CD2-CG1 4.31Å; F1286-I1290 HydrophobicContact CE1-CD1 4.45Å; F1286-I1290 HydrophobicContact CE1-CG1 3.83Å; F1286-I1290 HydrophobicContact CE2-CD1 3.9Å; F1286-I1290 HydrophobicContact CE2-CG1 3.91Å; F1286-I1290 HydrophobicContact CG-CG1 4.47Å; F1286-I1290 HydrophobicContact CZ-CD1 3.79Å; F1286-I1290 HydrophobicContact CZ-CG1 3.65Å; F1286-I1290 WeakPolarHBondContact O-CG1 3.32Å; F1286-I1290 PolarHBondContact O-N 3.39Å; L1287-I1290 PolarHBondContact O-N 2.91Å; I1290-S1293 WeakPolarHBondContact O-CB 3.43Å; I1290-S1293 PolarHBondContact O-N 3.44Å; I1290-A1294 WeakPolarHBondContact O-CB 3.49Å; I1290-A1294 PolarHBondContact O-N 3.07Å; I1290-I1315 HydrophobicContact CB-CG2 4.4Å; I1290-I1315 HydrophobicContact CG2-CD1 4.37Å; I1290-I1315 HydrophobicContact CG2-CG2 3.65Å |
| 1291 | Y | 94.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -48.6 | 176 | -63.3 | -16.7 | 0 | 0 | 0 | 112.1 | L1287 K1288 S1293 A1294 E1295 Q1312 I1315 | L1287-Y1291 HydrophobicContact CB-CE1 4.42Å; L1287-Y1291 HydrophobicContact CB-CE2 4.24Å; L1287-Y1291 HydrophobicContact CD2-CE1 4.45Å; L1287-Y1291 WeakPolarHBondContact O-CD1 3.48Å; L1287-Y1291 PolarHBondContact O-N 2.9Å; K1288-Y1291 PolarHBondContact O-N 3.47Å; Y1291-S1293 PolarHBondContact O-N 3.48Å; Y1291-A1294 WeakPolarHBondContact O-CB 3.34Å; Y1291-A1294 PolarHBondContact O-N 3.05Å; Y1291-A1294 VanDerWaalsContact O-N 3.14Å; Y1291-E1295 PolarHBondContact O-N 3.37Å; Y1291-E1295 VanDerWaalsContact O-N 3.07Å; Y1291-Q1312 HydrophobicContact CD1-CB 4.16Å; Y1291-Q1312 HydrophobicContact CD1-CG 3.86Å; Y1291-Q1312 HydrophobicContact CD2-CG 4.32Å; Y1291-Q1312 HydrophobicContact CE1-CB 3.85Å; Y1291-Q1312 HydrophobicContact CE1-CG 4.08Å; Y1291-Q1312 WeakPolarHBondContact CE1-O 3.39Å; Y1291-Q1312 HydrophobicContact CE2-CB 4.43Å; Y1291-Q1312 HydrophobicContact CG-CG 3.99Å; Y1291-Q1312 PolarHBondContact OH-O 3.12Å; Y1291-I1315 HydrophobicContact CD1-CB 4.47Å; Y1291-I1315 HydrophobicContact CD1-CD1 4.2Å; Y1291-I1315 HydrophobicContact CD1-CG2 4.12Å; Y1291-I1315 HydrophobicContact CE1-CB 4.02Å; Y1291-I1315 HydrophobicContact CE1-CG2 3.78Å |
| 1292 | C | 92.1 | Very high | 89.9 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -27.1 | 175.9 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | K1288 | K1288-C1292 PolarHBondContact O-N 3.07Å; K1288-C1292 VanDerWaalsContact O-N 3.15Å; K1288-C1292 PolarHBondContact O-SG 3.05Å |
| 1293 | S | 91.6 | Very high | 89.5 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.3 | -42.1 | 173.1 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | T1289 I1290 Y1291 E1295 T1296 E1297 | T1289-S1293 PolarHBondContact O-N 3.38Å; T1289-S1293 VanDerWaalsContact O-N 3.14Å; T1289-S1293 PolarHBondContact O-OG 2.82Å; I1290-S1293 WeakPolarHBondContact O-CB 3.43Å; I1290-S1293 PolarHBondContact O-N 3.44Å; Y1291-S1293 PolarHBondContact O-N 3.48Å; S1293-E1295 VanDerWaalsContact C-N 3.34Å; S1293-E1295 PolarHBondContact O-N 2.92Å; S1293-T1296 PolarHBondContact O-N 3.07Å; S1293-T1296 VanDerWaalsContact O-N 3.08Å; S1293-T1296 PolarHBondContact O-OG1 2.88Å; S1293-E1297 PolarHBondContact O-N 2.9Å |
| 1294 | A | 88.3 | Confident | 89.3 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | F1254 I1290 Y1291 T1296 E1297 L1300 I1315 | F1254-A1294 HydrophobicContact CE1-CB 3.84Å; F1254-A1294 HydrophobicContact CZ-CB 3.9Å; I1290-A1294 WeakPolarHBondContact O-CB 3.49Å; I1290-A1294 PolarHBondContact O-N 3.07Å; Y1291-A1294 WeakPolarHBondContact O-CB 3.34Å; Y1291-A1294 PolarHBondContact O-N 3.05Å; Y1291-A1294 VanDerWaalsContact O-N 3.14Å; A1294-T1296 PolarHBondContact O-N 2.85Å; A1294-E1297 PolarHBondContact O-N 3.07Å; A1294-L1300 HydrophobicContact CB-CD1 3.81Å; A1294-I1315 HydrophobicContact CB-CD1 3.82Å |
| 1295 | E | 85.5 | Confident | 89.1 | Confident | 121 Ų | 121 | 56.6 Ų | 56.6 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.2 | 173.7 | -74.1 | 170.2 | -171.8 | 0 | 0 | 113.3 | Y1291 S1293 | Y1291-E1295 PolarHBondContact O-N 3.37Å; Y1291-E1295 VanDerWaalsContact O-N 3.07Å; S1293-E1295 VanDerWaalsContact C-N 3.34Å; S1293-E1295 PolarHBondContact O-N 2.92Å |
| 1296 | T | 85.9 | Confident | 88.8 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -5.6 | 177.7 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | S1293 A1294 | S1293-T1296 PolarHBondContact O-N 3.07Å; S1293-T1296 VanDerWaalsContact O-N 3.08Å; S1293-T1296 PolarHBondContact O-OG1 2.88Å; A1294-T1296 PolarHBondContact O-N 2.85Å |
| 1297 | E | 87 | Confident | 88.6 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | trans | -77.4 | 126.8 | -175.9 | -178.6 | 67.4 | -157.9 | 0 | 0 | 111.5 | F1254 R1258 S1293 A1294 M1299 L1300 Q1301 | F1254-E1297 HydrophobicContact CD2-CB 4Å; F1254-E1297 HydrophobicContact CD2-CG 3.73Å; F1254-E1297 HydrophobicContact CE2-CB 4.1Å; F1254-E1297 HydrophobicContact CE2-CG 4.3Å; R1258-E1297 IonicContact CZ-OE1 2.81Å; R1258-E1297 IonicContact NE-OE1 2.65Å; R1258-E1297 PolarHBondContact NE-OE1 3.23Å; R1258-E1297 VanDerWaalsContact NE-OE1 3.17Å; R1258-E1297 IonicContact NE-OE2 2.95Å; R1258-E1297 IonicContact NH2-OE1 3.09Å; R1258-E1297 PolarHBondContact NH2-OE1 2.86Å; S1293-E1297 PolarHBondContact O-N 2.9Å; A1294-E1297 PolarHBondContact O-N 3.07Å; E1297-M1299 HydrophobicContact CG-CB 3.96Å; E1297-M1299 HydrophobicContact CG-CG 4.12Å; E1297-M1299 HydrophobicContact CG-SD 4.45Å; E1297-M1299 PolarHBondContact O-N 2.74Å; E1297-L1300 PolarHBondContact O-N 3.18Å; E1297-Q1301 PolarHBondContact O-N 2.95Å | ||
| 1298 | P | 82.8 | Confident | 88.5 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11 | 180 | -27.2 | 36.3 | 0 | 0 | 0 | 116.2 | Q69 N70 | Q69-P1298 HydrophobicContact CG-CB 4.24Å; N70-P1298 PolarHBondContact N-O 3.2Å; N70-P1298 VanDerWaalsContact N-O 3.17Å |
| 1299 | M | 84.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -29.9 | 174.5 | -58.7 | 175.9 | 60.1 | 0 | 0 | 112 | L68 C72 L1253 E1297 | L68-M1299 HydrophobicContact CB-CE 3.92Å; L68-M1299 HydrophobicContact CD2-CE 3.84Å; L68-M1299 HydrophobicContact CG-CE 4.4Å; C72-M1299 PolarHBondContact SG-O 2.99Å; L1253-M1299 HydrophobicContact CB-CE 3.71Å; L1253-M1299 HydrophobicContact CD1-CE 4.4Å; E1297-M1299 HydrophobicContact CG-CB 3.96Å; E1297-M1299 HydrophobicContact CG-CG 4.12Å; E1297-M1299 HydrophobicContact CG-SD 4.45Å; E1297-M1299 PolarHBondContact O-N 2.74Å |
| 1300 | L | 85.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -9.7 | -178.5 | -61.5 | 175.4 | 0 | 0 | 0 | 112.6 | C1250 V1251 A1294 E1297 G1302 C1303 | C1250-L1300 HydrophobicContact CB-CD2 3.92Å; V1251-L1300 HydrophobicContact CG2-CD2 4.29Å; A1294-L1300 HydrophobicContact CB-CD1 3.81Å; E1297-L1300 PolarHBondContact O-N 3.18Å; L1300-G1302 PolarHBondContact O-N 3.15Å; L1300-C1303 PolarHBondContact O-N 3.45Å; L1300-C1303 PolarHBondContact O-SG 3.47Å |
| 1301 | Q | 83.8 | Confident | 88 | Confident | 118 Ų | 118 | 53.9 Ų | 53.9 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136.1 | 173.6 | -167.6 | 173.1 | 11.2 | 0 | 0 | 111.4 | A73 E1297 | A73-Q1301 PolarHBondContact N-O 3.43Å; E1297-Q1301 PolarHBondContact O-N 2.95Å |
| 1302 | G | 81.3 | Confident | 87.9 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 5.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S76 L1300 | S76-G1302 VanDerWaalsContact CB-O 3.22Å; S76-G1302 WeakPolarHBondContact CB-O 3.48Å; S76-G1302 PolarHBondContact OG-O 2.93Å; L1300-G1302 PolarHBondContact O-N 3.15Å |
| 1303 | C | 86.6 | Confident | 87.7 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 14% | 0.135 | 30% | 0.299 | C | S | . | . | trans | -58.7 | 140.2 | 171.9 | -77.7 | 0 | 0 | 0 | 0 | 112.7 | C72 L1300 Q1307 I1308 | C72-C1303 WeakPolarHBondContact CB-SG 3.35Å; L1300-C1303 PolarHBondContact O-N 3.45Å; L1300-C1303 PolarHBondContact O-SG 3.47Å; C1303-Q1307 VanDerWaalsContact CA-OE1 3.27Å; C1303-Q1307 HydrophobicContact CB-CB 3.96Å; C1303-I1308 HydrophobicContact CB-CD1 4.26Å; C1303-I1308 HydrophobicContact CB-CG1 3.46Å; C1303-I1308 VanDerWaalsContact CB-CG1 3.46Å | ||
| 1304 | T | 88.1 | Confident | 87.6 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | trans | -71.9 | 160.7 | 165.3 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | K1306 Q1307 I1308 | T1304-K1306 PolarHBondContact O-N 3.12Å; T1304-K1306 VanDerWaalsContact O-N 3.15Å; T1304-Q1307 CarbonylContact O-C 3.6Å; T1304-Q1307 WeakPolarHBondContact O-CA 3.47Å; T1304-Q1307 WeakPolarHBondContact O-CB 3.31Å; T1304-Q1307 PolarHBondContact O-N 2.97Å; T1304-Q1307 WeakPolarHBondContact OG1-CG 3.17Å; T1304-I1308 WeakPolarHBondContact O-CG1 3.29Å; T1304-I1308 PolarHBondContact O-N 3.4Å | ||
| 1305 | S | 88.2 | Confident | 87.7 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -53.5 | -35.9 | 178.1 | 166.1 | 0 | 0 | 0 | 0 | 113.6 | S1309 | S1305-S1309 PolarHBondContact O-N 3.33Å; S1305-S1309 VanDerWaalsContact O-N 3.15Å |
| 1306 | K | 88.5 | Confident | 87.9 | Confident | 147 Ų | 147 | 45.4 Ų | 45.4 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 174 | -69.5 | -179.3 | 176.9 | 177.1 | 0 | 111.4 | T1304 S1309 Y1310 | T1304-K1306 PolarHBondContact O-N 3.12Å; T1304-K1306 VanDerWaalsContact O-N 3.15Å; K1306-S1309 PolarHBondContact O-N 2.86Å; K1306-Y1310 PolarHBondContact O-N 2.94Å; K1306-Y1310 VanDerWaalsContact O-N 3.12Å |
| 1307 | Q | 91.4 | Very high | 87.9 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.9 | -62.1 | 171.8 | 15.3 | 0 | 0 | 111.9 | S76 E79 V1243 L1247 C1303 T1304 S1309 Y1310 A1311 | S76-Q1307 PolarHBondContact OG-NE2 2.98Å; S76-Q1307 PolarHBondContact OG-OE1 3.42Å; E79-Q1307 PolarHBondContact OE2-NE2 2.69Å; V1243-Q1307 HydrophobicContact CG1-CG 4.24Å; L1247-Q1307 HydrophobicContact CD1-CB 3.8Å; L1247-Q1307 HydrophobicContact CD1-CG 4.04Å; L1247-Q1307 HydrophobicContact CD2-CB 4.15Å; C1303-Q1307 VanDerWaalsContact CA-OE1 3.27Å; C1303-Q1307 HydrophobicContact CB-CB 3.96Å; T1304-Q1307 CarbonylContact O-C 3.6Å; T1304-Q1307 WeakPolarHBondContact O-CA 3.47Å; T1304-Q1307 WeakPolarHBondContact O-CB 3.31Å; T1304-Q1307 PolarHBondContact O-N 2.97Å; T1304-Q1307 WeakPolarHBondContact OG1-CG 3.17Å; Q1307-S1309 PolarHBondContact O-N 3.41Å; Q1307-Y1310 PolarHBondContact O-N 3.3Å; Q1307-A1311 WeakPolarHBondContact O-CB 3.4Å; Q1307-A1311 PolarHBondContact O-N 2.93Å |
| 1308 | I | 90.7 | Very high | 87.8 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.3 | -63.3 | 175.2 | 0 | 0 | 0 | 110.7 | C1303 T1304 Y1310 A1311 Q1312 | C1303-I1308 HydrophobicContact CB-CD1 4.26Å; C1303-I1308 HydrophobicContact CB-CG1 3.46Å; C1303-I1308 VanDerWaalsContact CB-CG1 3.46Å; T1304-I1308 WeakPolarHBondContact O-CG1 3.29Å; T1304-I1308 PolarHBondContact O-N 3.4Å; I1308-Y1310 VanDerWaalsContact C-N 3.31Å; I1308-Y1310 PolarHBondContact O-N 3.09Å; I1308-A1311 PolarHBondContact O-N 3.22Å; I1308-A1311 VanDerWaalsContact O-N 3.17Å; I1308-Q1312 HydrophobicContact CG2-CG 4.37Å; I1308-Q1312 WeakPolarHBondContact O-CG 3.4Å; I1308-Q1312 PolarHBondContact O-N 3.19Å |
| 1309 | S | 91.2 | Very high | 88.2 | Confident | 71 Ų | 71 | 39 Ų | 39 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | S1305 K1306 Q1307 A1313 | S1305-S1309 PolarHBondContact O-N 3.33Å; S1305-S1309 VanDerWaalsContact O-N 3.15Å; K1306-S1309 PolarHBondContact O-N 2.86Å; Q1307-S1309 PolarHBondContact O-N 3.41Å; S1309-A1313 PolarHBondContact O-N 3.1Å; S1309-A1313 VanDerWaalsContact O-N 3.1Å |
| 1310 | Y | 90.3 | Very high | 88.3 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 172.4 | -174.5 | -96.4 | 0 | 0 | 0 | 112.3 | R1244 L1247 K1306 Q1307 I1308 Q1312 A1313 C1314 | R1244-Y1310 HydrophobicContact CB-CE1 3.93Å; R1244-Y1310 HydrophobicContact CB-CE2 4.34Å; R1244-Y1310 HydrophobicContact CG-CD1 4.44Å; R1244-Y1310 HydrophobicContact CG-CD2 4.16Å; R1244-Y1310 HydrophobicContact CG-CE1 3.99Å; R1244-Y1310 HydrophobicContact CG-CE2 3.67Å; R1244-Y1310 WeakPolarHBondContact O-CE1 3.44Å; L1247-Y1310 HydrophobicContact CB-CD1 3.87Å; L1247-Y1310 HydrophobicContact CB-CE1 4.16Å; L1247-Y1310 HydrophobicContact CD1-CD1 3.79Å; L1247-Y1310 HydrophobicContact CD1-CG 4.43Å; K1306-Y1310 PolarHBondContact O-N 2.94Å; K1306-Y1310 VanDerWaalsContact O-N 3.12Å; Q1307-Y1310 PolarHBondContact O-N 3.3Å; I1308-Y1310 VanDerWaalsContact C-N 3.31Å; I1308-Y1310 PolarHBondContact O-N 3.09Å; Y1310-Q1312 PolarHBondContact O-N 3.22Å; Y1310-A1313 PolarHBondContact O-N 3.44Å; Y1310-C1314 WeakPolarHBondContact O-CB 3.47Å; Y1310-C1314 PolarHBondContact O-N 3.26Å |
| 1311 | A | 91.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1251 Q1307 I1308 C1314 I1315 | V1251-A1311 HydrophobicContact CG2-CB 3.92Å; Q1307-A1311 WeakPolarHBondContact O-CB 3.4Å; Q1307-A1311 PolarHBondContact O-N 2.93Å; I1308-A1311 PolarHBondContact O-N 3.22Å; I1308-A1311 VanDerWaalsContact O-N 3.17Å; A1311-C1314 WeakPolarHBondContact O-CB 3.4Å; A1311-C1314 PolarHBondContact O-N 3.47Å; A1311-I1315 VanDerWaalsContact O-CG1 3.31Å; A1311-I1315 WeakPolarHBondContact O-CG1 3.31Å; A1311-I1315 PolarHBondContact O-N 3.4Å |
| 1312 | Q | 92.1 | Very high | 88.2 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 173.6 | -71.7 | 175.2 | -7.5 | 0 | 0 | 111.7 | Y1291 I1308 Y1310 C1314 I1315 E1316 | Y1291-Q1312 HydrophobicContact CD1-CB 4.16Å; Y1291-Q1312 HydrophobicContact CD1-CG 3.86Å; Y1291-Q1312 HydrophobicContact CD2-CG 4.32Å; Y1291-Q1312 HydrophobicContact CE1-CB 3.85Å; Y1291-Q1312 HydrophobicContact CE1-CG 4.08Å; Y1291-Q1312 WeakPolarHBondContact CE1-O 3.39Å; Y1291-Q1312 HydrophobicContact CE2-CB 4.43Å; Y1291-Q1312 HydrophobicContact CG-CG 3.99Å; Y1291-Q1312 PolarHBondContact OH-O 3.12Å; I1308-Q1312 HydrophobicContact CG2-CG 4.37Å; I1308-Q1312 WeakPolarHBondContact O-CG 3.4Å; I1308-Q1312 PolarHBondContact O-N 3.19Å; Y1310-Q1312 PolarHBondContact O-N 3.22Å; Q1312-C1314 VanDerWaalsContact C-N 3.31Å; Q1312-C1314 PolarHBondContact O-N 2.85Å; Q1312-I1315 PolarHBondContact O-N 3.18Å; Q1312-E1316 PolarHBondContact O-N 3.34Å |
| 1313 | A | 87.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -33.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1309 Y1310 R1317 | S1309-A1313 PolarHBondContact O-N 3.1Å; S1309-A1313 VanDerWaalsContact O-N 3.1Å; Y1310-A1313 PolarHBondContact O-N 3.44Å; A1313-R1317 WeakPolarHBondContact O-CB 3.33Å; A1313-R1317 PolarHBondContact O-N 3Å |
| 1314 | C | 88.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 173 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | V1251 Y1310 A1311 Q1312 E1316 R1317 L1318 | V1251-C1314 HydrophobicContact CB-CB 4.44Å; V1251-C1314 HydrophobicContact CG1-CB 4.15Å; V1251-C1314 HydrophobicContact CG2-CB 4.39Å; Y1310-C1314 WeakPolarHBondContact O-CB 3.47Å; Y1310-C1314 PolarHBondContact O-N 3.26Å; A1311-C1314 WeakPolarHBondContact O-CB 3.4Å; A1311-C1314 PolarHBondContact O-N 3.47Å; Q1312-C1314 VanDerWaalsContact C-N 3.31Å; Q1312-C1314 PolarHBondContact O-N 2.85Å; C1314-E1316 VanDerWaalsContact C-N 3.33Å; C1314-E1316 PolarHBondContact O-N 3.45Å; C1314-R1317 PolarHBondContact O-N 3.08Å; C1314-R1317 PolarHBondContact SG-NH2 3.45Å; C1314-L1318 WeakPolarHBondContact O-CG 3.46Å; C1314-L1318 PolarHBondContact O-N 3.05Å |
| 1315 | I | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.1 | -49.7 | 173.6 | -71.1 | 164.6 | 0 | 0 | 0 | 110.1 | V1251 F1254 L1287 I1290 Y1291 A1294 A1311 Q1312 R1317 L1318 V1319 | V1251-I1315 HydrophobicContact CG1-CB 4.43Å; V1251-I1315 HydrophobicContact CG1-CG1 3.52Å; V1251-I1315 HydrophobicContact CG2-CG1 4.31Å; F1254-I1315 HydrophobicContact CE1-CD1 4.32Å; L1287-I1315 HydrophobicContact CD2-CG2 4.3Å; I1290-I1315 HydrophobicContact CB-CG2 4.4Å; I1290-I1315 HydrophobicContact CG2-CD1 4.37Å; I1290-I1315 HydrophobicContact CG2-CG2 3.65Å; Y1291-I1315 HydrophobicContact CD1-CB 4.47Å; Y1291-I1315 HydrophobicContact CD1-CD1 4.2Å; Y1291-I1315 HydrophobicContact CD1-CG2 4.12Å; Y1291-I1315 HydrophobicContact CE1-CB 4.02Å; Y1291-I1315 HydrophobicContact CE1-CG2 3.78Å; A1294-I1315 HydrophobicContact CB-CD1 3.82Å; A1311-I1315 VanDerWaalsContact O-CG1 3.31Å; A1311-I1315 WeakPolarHBondContact O-CG1 3.31Å; A1311-I1315 PolarHBondContact O-N 3.4Å; Q1312-I1315 PolarHBondContact O-N 3.18Å; I1315-R1317 PolarHBondContact O-N 3.43Å; I1315-L1318 PolarHBondContact O-N 2.85Å; I1315-V1319 HydrophobicContact CG2-CG2 4.36Å; I1315-V1319 WeakPolarHBondContact O-CB 3.37Å; I1315-V1319 VanDerWaalsContact O-CG2 3.28Å; I1315-V1319 WeakPolarHBondContact O-CG2 3.47Å; I1315-V1319 PolarHBondContact O-N 3.42Å |
| 1316 | E | 89.3 | Confident | 88.3 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 177.9 | 174.3 | 169.6 | -177.8 | 0 | 0 | 112.2 | L1287 Q1312 C1314 L1318 V1319 L1320 R1446 | L1287-E1316 HydrophobicContact CD1-CB 4.41Å; L1287-E1316 HydrophobicContact CD1-CG 4.16Å; L1287-E1316 HydrophobicContact CD2-CB 4.37Å; Q1312-E1316 PolarHBondContact O-N 3.34Å; C1314-E1316 VanDerWaalsContact C-N 3.33Å; C1314-E1316 PolarHBondContact O-N 3.45Å; E1316-L1318 PolarHBondContact O-N 3.22Å; E1316-V1319 PolarHBondContact O-N 3.18Å; E1316-L1320 HydrophobicContact CG-CD1 3.49Å; E1316-L1320 VanDerWaalsContact CG-CD1 3.49Å; E1316-L1320 HydrophobicContact CG-CG 4.28Å; E1316-L1320 VanDerWaalsContact O-CB 3.28Å; E1316-L1320 WeakPolarHBondContact O-CB 3.4Å; E1316-L1320 WeakPolarHBondContact O-CG 3.35Å; E1316-L1320 PolarHBondContact O-N 2.93Å; E1316-R1446 IonicContact OE1-CZ 2.69Å; E1316-R1446 VanDerWaalsContact OE1-CZ 3.23Å; E1316-R1446 IonicContact OE1-NH1 3.68Å; E1316-R1446 PolarHBondContact OE1-NH1 3.28Å; E1316-R1446 IonicContact OE1-NH2 3.39Å; E1316-R1446 PolarHBondContact OE1-NH2 3.06Å; E1316-R1446 IonicContact OE2-CZ 3.15Å; E1316-R1446 IonicContact OE2-NH1 2.78Å; E1316-R1446 PolarHBondContact OE2-NH1 3.48Å; E1316-R1446 IonicContact OE2-NH2 2.63Å |
| 1317 | R | 86.1 | Confident | 88.3 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 178.7 | 166.6 | 169.1 | 60.3 | 79.6 | 3.7 | 112.1 | T337 E1248 A1313 C1314 I1315 L1320 T1321 T1384 E1387 | T337-R1317 VanDerWaalsContact CG2-CZ 3.48Å; T337-R1317 PolarHBondContact OG1-NH1 3.42Å; E1248-R1317 IonicContact OE1-CZ 3.59Å; E1248-R1317 IonicContact OE1-NH1 2.73Å; E1248-R1317 PolarHBondContact OE1-NH1 2.94Å; E1248-R1317 IonicContact OE1-NH2 3.91Å; E1248-R1317 PolarHBondContact OE1-NH2 3.11Å; E1248-R1317 IonicContact OE2-CZ 3.55Å; E1248-R1317 IonicContact OE2-NH2 3.23Å; E1248-R1317 PolarHBondContact OE2-NH2 2.8Å; A1313-R1317 WeakPolarHBondContact O-CB 3.33Å; A1313-R1317 PolarHBondContact O-N 3Å; C1314-R1317 PolarHBondContact O-N 3.08Å; C1314-R1317 PolarHBondContact SG-NH2 3.45Å; I1315-R1317 PolarHBondContact O-N 3.43Å; R1317-L1320 PolarHBondContact O-N 2.79Å; R1317-T1321 WeakPolarHBondContact O-CB 3.37Å; R1317-T1321 PolarHBondContact O-N 3.48Å; R1317-T1321 PolarHBondContact O-OG1 2.85Å; R1317-T1384 HydrophobicContact CB-CG2 4.05Å; R1317-T1384 HydrophobicContact CG-CG2 3.8Å; R1317-E1387 WeakPolarHBondContact CD-OE1 3.39Å |
| 1318 | L | 84.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.7 | -38.5 | -178.4 | -65.8 | 176.5 | 0 | 0 | 0 | 112.4 | V1251 H1252 L1255 C1314 I1315 E1316 R1322 | V1251-L1318 HydrophobicContact CG1-CD1 4.02Å; H1252-L1318 VanDerWaalsContact CE1-CD2 3.46Å; H1252-L1318 WeakPolarHBondContact CE1-CD2 3.24Å; L1255-L1318 HydrophobicContact CD1-CB 3.85Å; L1255-L1318 HydrophobicContact CD1-CD1 3.97Å; C1314-L1318 WeakPolarHBondContact O-CG 3.46Å; C1314-L1318 PolarHBondContact O-N 3.05Å; I1315-L1318 PolarHBondContact O-N 2.85Å; E1316-L1318 PolarHBondContact O-N 3.22Å; L1318-R1322 WeakPolarHBondContact O-CG 3.45Å; L1318-R1322 PolarHBondContact O-N 3.15Å |
| 1319 | V | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 173.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | L1263 F1266 L1283 F1286 L1287 I1315 E1316 T1321 R1322 I1323 | L1263-V1319 HydrophobicContact CD1-CG1 4.47Å; L1263-V1319 HydrophobicContact CD1-CG2 4.1Å; F1266-V1319 HydrophobicContact CD1-CG1 4.36Å; F1266-V1319 HydrophobicContact CE1-CG1 3.71Å; F1266-V1319 HydrophobicContact CZ-CG1 4.32Å; L1283-V1319 HydrophobicContact CD1-CG1 3.85Å; F1286-V1319 HydrophobicContact CD1-CG1 4.01Å; F1286-V1319 HydrophobicContact CE1-CG1 3.9Å; F1286-V1319 HydrophobicContact CE1-CG2 3.92Å; L1287-V1319 HydrophobicContact CD2-CB 4.09Å; L1287-V1319 HydrophobicContact CD2-CG1 4.18Å; L1287-V1319 HydrophobicContact CD2-CG2 4.17Å; I1315-V1319 HydrophobicContact CG2-CG2 4.36Å; I1315-V1319 WeakPolarHBondContact O-CB 3.37Å; I1315-V1319 VanDerWaalsContact O-CG2 3.28Å; I1315-V1319 WeakPolarHBondContact O-CG2 3.47Å; I1315-V1319 PolarHBondContact O-N 3.42Å; E1316-V1319 PolarHBondContact O-N 3.18Å; V1319-T1321 VanDerWaalsContact C-N 3.31Å; V1319-T1321 PolarHBondContact O-N 3.26Å; V1319-R1322 PolarHBondContact O-N 3.11Å; V1319-I1323 PolarHBondContact O-N 2.97Å |
| 1320 | L | 88.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 179.4 | -79.3 | 168.6 | 0 | 0 | 0 | 112.6 | L1283 E1316 R1317 R1322 I1323 Y1324 T1384 P1385 | L1283-L1320 HydrophobicContact CD2-CD2 3.65Å; L1283-L1320 HydrophobicContact CD2-CG 4.43Å; E1316-L1320 HydrophobicContact CG-CD1 3.49Å; E1316-L1320 VanDerWaalsContact CG-CD1 3.49Å; E1316-L1320 HydrophobicContact CG-CG 4.28Å; E1316-L1320 VanDerWaalsContact O-CB 3.28Å; E1316-L1320 WeakPolarHBondContact O-CB 3.4Å; E1316-L1320 WeakPolarHBondContact O-CG 3.35Å; E1316-L1320 PolarHBondContact O-N 2.93Å; R1317-L1320 PolarHBondContact O-N 2.79Å; L1320-R1322 VanDerWaalsContact C-N 3.32Å; L1320-R1322 PolarHBondContact O-N 2.93Å; L1320-I1323 HydrophobicContact CD2-CD1 4.28Å; L1320-I1323 CarbonylContact O-C 3.36Å; L1320-I1323 WeakPolarHBondContact O-CG1 3.49Å; L1320-I1323 PolarHBondContact O-N 2.82Å; L1320-Y1324 WeakPolarHBondContact O-CA 3.37Å; L1320-Y1324 PolarHBondContact O-N 3.24Å; L1320-T1384 HydrophobicContact CB-CG2 4.19Å; L1320-P1385 HydrophobicContact CD1-CG 4.24Å |
| 1321 | T | 82.9 | Confident | 87.4 | Confident | 54 Ų | 54 | 35 Ų | 35 | 33% | 0.331 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 111 | R1317 V1319 I1323 Y1324 | R1317-T1321 WeakPolarHBondContact O-CB 3.37Å; R1317-T1321 PolarHBondContact O-N 3.48Å; R1317-T1321 PolarHBondContact O-OG1 2.85Å; V1319-T1321 VanDerWaalsContact C-N 3.31Å; V1319-T1321 PolarHBondContact O-N 3.26Å; T1321-I1323 VanDerWaalsContact C-N 3.26Å; T1321-I1323 PolarHBondContact O-N 2.69Å; T1321-Y1324 WeakPolarHBondContact O-CB 3.36Å; T1321-Y1324 PolarHBondContact O-N 2.87Å |
| 1322 | R | 83.3 | Confident | 87.1 | Confident | 150 Ų | 150 | 36 Ų | 36 | 57% | 0.566 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -68.2 | -19.8 | 178.5 | -65.1 | -68.6 | -170.8 | 167.1 | 4.8 | 114.3 | E1256 V1267 L1318 V1319 L1320 | E1256-R1322 IonicContact OE1-NH2 2.66Å; V1267-R1322 HydrophobicContact CG2-CB 4.43Å; L1318-R1322 WeakPolarHBondContact O-CG 3.45Å; L1318-R1322 PolarHBondContact O-N 3.15Å; V1319-R1322 PolarHBondContact O-N 3.11Å; L1320-R1322 VanDerWaalsContact C-N 3.32Å; L1320-R1322 PolarHBondContact O-N 2.93Å |
| 1323 | I | 88.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -110.8 | 4.4 | 176.5 | 62.6 | 177.6 | 0 | 0 | 0 | 113.6 | F1266 V1267 F1270 L1283 V1319 L1320 T1321 F1325 S1326 A1327 | F1266-I1323 HydrophobicContact CE1-CD1 4.06Å; F1266-I1323 HydrophobicContact CE1-CG2 3.85Å; F1266-I1323 HydrophobicContact CZ-CD1 4.01Å; V1267-I1323 HydrophobicContact CG2-CG2 3.87Å; F1270-I1323 HydrophobicContact CD1-CB 3.99Å; F1270-I1323 HydrophobicContact CD1-CD1 4.28Å; F1270-I1323 HydrophobicContact CD1-CG2 4.07Å; F1270-I1323 HydrophobicContact CD2-CD1 4.04Å; F1270-I1323 HydrophobicContact CE1-CB 4.01Å; F1270-I1323 HydrophobicContact CE1-CD1 3.99Å; F1270-I1323 HydrophobicContact CE1-CG1 4.38Å; F1270-I1323 HydrophobicContact CE2-CD1 3.72Å; F1270-I1323 HydrophobicContact CG-CD1 4.31Å; F1270-I1323 HydrophobicContact CG-CG2 4.26Å; F1270-I1323 HydrophobicContact CZ-CD1 3.7Å; F1270-I1323 HydrophobicContact CZ-CG1 4.48Å; L1283-I1323 HydrophobicContact CD1-CD1 4.1Å; V1319-I1323 PolarHBondContact O-N 2.97Å; L1320-I1323 HydrophobicContact CD2-CD1 4.28Å; L1320-I1323 CarbonylContact O-C 3.36Å; L1320-I1323 WeakPolarHBondContact O-CG1 3.49Å; L1320-I1323 PolarHBondContact O-N 2.82Å; T1321-I1323 VanDerWaalsContact C-N 3.26Å; T1321-I1323 PolarHBondContact O-N 2.69Å; I1323-F1325 PolarHBondContact O-N 3.45Å; I1323-S1326 PolarHBondContact O-N 2.99Å; I1323-A1327 HydrophobicContact CG1-CB 4.39Å; I1323-A1327 WeakPolarHBondContact O-CB 3.38Å; I1323-A1327 PolarHBondContact O-N 3Å |
| 1324 | Y | 86.8 | Confident | 86.8 | Confident | 51 Ų | 51 | 40 Ų | 40 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -50.4 | -53.4 | -165.7 | 176.6 | -129.5 | 0 | 0 | 0 | 113.2 | L1320 T1321 S1326 A1327 L1328 N1383 K1388 Y1438 | L1320-Y1324 WeakPolarHBondContact O-CA 3.37Å; L1320-Y1324 PolarHBondContact O-N 3.24Å; T1321-Y1324 WeakPolarHBondContact O-CB 3.36Å; T1321-Y1324 PolarHBondContact O-N 2.87Å; Y1324-S1326 PolarHBondContact O-N 3.04Å; Y1324-A1327 PolarHBondContact O-N 3.1Å; Y1324-L1328 HydrophobicContact CD2-CB 4.42Å; Y1324-L1328 HydrophobicContact CE1-CD2 4.32Å; Y1324-L1328 HydrophobicContact CE2-CB 4.26Å; Y1324-L1328 HydrophobicContact CE2-CD1 4.4Å; Y1324-L1328 HydrophobicContact CE2-CD2 4.04Å; Y1324-L1328 HydrophobicContact CE2-CG 4.48Å; Y1324-L1328 VanDerWaalsContact O-CB 3.23Å; Y1324-L1328 WeakPolarHBondContact O-CB 3.39Å; Y1324-L1328 PolarHBondContact O-N 3.17Å; Y1324-N1383 HydrophobicContact CD1-CB 4.21Å; Y1324-N1383 HydrophobicContact CD2-CB 4.31Å; Y1324-N1383 WeakPolarHBondContact CD2-O 3.44Å; Y1324-N1383 HydrophobicContact CE1-CB 4.1Å; Y1324-N1383 VanDerWaalsContact CE1-OD1 3.23Å; Y1324-N1383 WeakPolarHBondContact CE1-OD1 3.46Å; Y1324-N1383 HydrophobicContact CE2-CB 4.23Å; Y1324-N1383 WeakPolarHBondContact CE2-O 3.48Å; Y1324-N1383 HydrophobicContact CG-CB 4.3Å; Y1324-K1388 PolarHBondContact OH-NZ 3.04Å; Y1324-Y1438 HydrophobicContact CD2-CE1 4.17Å; Y1324-Y1438 AromaticContact CD2-CZ 3.98Å; Y1324-Y1438 HydrophobicContact CE2-CE1 4.06Å |
| 1325 | F | 84.3 | Confident | 86.9 | Confident | 127 Ų | 127 | 40.3 Ų | 40.3 | 56% | 0.557 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.9 | -46.3 | 179.6 | -172.4 | -91.5 | 0 | 0 | 0 | 112.9 | I1323 A1327 Y1329 I1336 | I1323-F1325 PolarHBondContact O-N 3.45Å; F1325-A1327 PolarHBondContact O-N 3.48Å; F1325-Y1329 AromaticContact CD2-CD2 3.77Å; F1325-Y1329 HydrophobicContact CD2-CD2 3.77Å; F1325-Y1329 AromaticContact CD2-CE2 3.91Å; F1325-Y1329 HydrophobicContact CD2-CE2 3.91Å; F1325-Y1329 HydrophobicContact CE1-CD2 4.47Å; F1325-Y1329 AromaticContact CE2-CD2 3.63Å; F1325-Y1329 HydrophobicContact CE2-CD2 3.63Å; F1325-Y1329 AromaticContact CE2-CE2 3.75Å; F1325-Y1329 HydrophobicContact CE2-CE2 3.75Å; F1325-Y1329 HydrophobicContact CG-CD2 4.26Å; F1325-Y1329 HydrophobicContact CZ-CD2 4Å; F1325-Y1329 HydrophobicContact CZ-CE2 4.49Å; F1325-Y1329 PolarHBondContact O-N 3.31Å; F1325-I1336 HydrophobicContact CE2-CD1 4.37Å; F1325-I1336 HydrophobicContact CZ-CD1 3.94Å |
| 1326 | S | 85.9 | Confident | 86.8 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.4 | -12.1 | -179.2 | -52.4 | 0 | 0 | 0 | 0 | 114.4 | K1279 I1323 Y1324 | K1279-S1326 PolarHBondContact NZ-O 2.87Å; I1323-S1326 PolarHBondContact O-N 2.99Å; Y1324-S1326 PolarHBondContact O-N 3.04Å |
| 1327 | A | 88.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -103.1 | -32.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1270 I1323 Y1324 F1325 Y1438 F1442 | F1270-A1327 HydrophobicContact CE1-CB 3.83Å; F1270-A1327 HydrophobicContact CZ-CB 3.73Å; I1323-A1327 HydrophobicContact CG1-CB 4.39Å; I1323-A1327 WeakPolarHBondContact O-CB 3.38Å; I1323-A1327 PolarHBondContact O-N 3Å; Y1324-A1327 PolarHBondContact O-N 3.1Å; F1325-A1327 PolarHBondContact O-N 3.48Å; A1327-Y1438 HydrophobicContact CB-CD2 4.03Å; A1327-Y1438 HydrophobicContact CB-CE2 3.6Å; A1327-F1442 HydrophobicContact CB-CE2 3.87Å; A1327-F1442 HydrophobicContact CB-CZ 4.08Å |
| 1328 | L | 88 | Confident | 87.2 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.6 | -42.5 | 174.2 | -177.3 | 68.2 | 0 | 0 | 0 | 111.6 | Y1324 P1330 A1431 S1434 Y1438 | Y1324-L1328 HydrophobicContact CD2-CB 4.42Å; Y1324-L1328 HydrophobicContact CE1-CD2 4.32Å; Y1324-L1328 HydrophobicContact CE2-CB 4.26Å; Y1324-L1328 HydrophobicContact CE2-CD1 4.4Å; Y1324-L1328 HydrophobicContact CE2-CD2 4.04Å; Y1324-L1328 HydrophobicContact CE2-CG 4.48Å; Y1324-L1328 VanDerWaalsContact O-CB 3.23Å; Y1324-L1328 WeakPolarHBondContact O-CB 3.39Å; Y1324-L1328 PolarHBondContact O-N 3.17Å; L1328-P1330 WeakPolarHBondContact O-CD 3.25Å; L1328-A1431 HydrophobicContact CD2-CB 4.28Å; L1328-S1434 WeakPolarHBondContact O-CB 3.43Å; L1328-Y1438 HydrophobicContact CD1-CD1 4.45Å; L1328-Y1438 HydrophobicContact CD1-CG 4.26Å |
| 1329 | Y | 89 | Confident | 87.5 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | trans | -112.3 | 70.4 | 178.5 | -53.4 | -59.1 | 0 | 0 | 0 | 110.7 | F1325 N1331 G1332 D1335 I1336 A1431 S1434 | F1325-Y1329 AromaticContact CD2-CD2 3.77Å; F1325-Y1329 HydrophobicContact CD2-CD2 3.77Å; F1325-Y1329 AromaticContact CD2-CE2 3.91Å; F1325-Y1329 HydrophobicContact CD2-CE2 3.91Å; F1325-Y1329 HydrophobicContact CE1-CD2 4.47Å; F1325-Y1329 AromaticContact CE2-CD2 3.63Å; F1325-Y1329 HydrophobicContact CE2-CD2 3.63Å; F1325-Y1329 AromaticContact CE2-CE2 3.75Å; F1325-Y1329 HydrophobicContact CE2-CE2 3.75Å; F1325-Y1329 HydrophobicContact CG-CD2 4.26Å; F1325-Y1329 HydrophobicContact CZ-CD2 4Å; F1325-Y1329 HydrophobicContact CZ-CE2 4.49Å; F1325-Y1329 PolarHBondContact O-N 3.31Å; Y1329-N1331 PolarHBondContact O-N 3.31Å; Y1329-G1332 PolarHBondContact O-N 2.72Å; Y1329-D1335 HydrophobicContact CD1-CB 3.86Å; Y1329-I1336 HydrophobicContact CD1-CG1 3.67Å; Y1329-I1336 HydrophobicContact CD2-CD1 4.1Å; Y1329-I1336 HydrophobicContact CD2-CG1 3.91Å; Y1329-I1336 HydrophobicContact CE1-CG1 3.79Å; Y1329-I1336 HydrophobicContact CE2-CD1 4.35Å; Y1329-I1336 HydrophobicContact CE2-CG1 4.03Å; Y1329-I1336 HydrophobicContact CG-CD1 4.26Å; Y1329-I1336 HydrophobicContact CG-CG1 3.72Å; Y1329-A1431 HydrophobicContact CE1-CB 4.16Å; Y1329-A1431 WeakPolarHBondContact OH-CB 3.43Å; Y1329-S1434 WeakPolarHBondContact CD1-OG 3.47Å; Y1329-S1434 WeakPolarHBondContact CE1-OG 3.46Å | ||
| 1330 | P | 84.3 | Confident | 87.7 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 10% | 0.104 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.6 | -176.8 | 25 | -34.6 | 0 | 0 | 0 | 113.8 | L1328 D1335 | L1328-P1330 WeakPolarHBondContact O-CD 3.25Å; P1330-D1335 WeakPolarHBondContact CD-OD2 3.43Å |
| 1331 | N | 83.9 | Confident | 87.9 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 57% | 0.567 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 7.9 | 176.1 | -47.2 | -72.2 | 0 | 0 | 0 | 113.1 | Y1329 D1333 D1335 | Y1329-N1331 PolarHBondContact O-N 3.31Å; N1331-D1333 PolarHBondContact O-N 2.76Å; N1331-D1335 WeakPolarHBondContact CA-OD2 3.33Å; N1331-D1335 VanDerWaalsContact CB-OD2 3.25Å; N1331-D1335 WeakPolarHBondContact CB-OD2 3.34Å; N1331-D1335 PolarHBondContact N-OD2 3.46Å; N1331-D1335 VanDerWaalsContact ND2-CG 3.33Å; N1331-D1335 PolarHBondContact ND2-OD1 2.96Å; N1331-D1335 PolarHBondContact ND2-OD2 3.4Å |
| 1332 | G | 84.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -130.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1329 G1334 D1335 I1336 | Y1329-G1332 PolarHBondContact O-N 2.72Å; G1332-G1334 PolarHBondContact O-N 3.05Å; G1332-D1335 PolarHBondContact O-N 3.43Å; G1332-I1336 PolarHBondContact O-N 2.87Å |
| 1333 | D | 85.7 | Confident | 88.7 | Confident | 118 Ų | 118 | 52 Ų | 52 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -52.4 | -30.5 | -175 | -64 | -20.5 | 0 | 0 | 0 | 114 | N1331 D1335 I1336 M1337 | N1331-D1333 PolarHBondContact O-N 2.76Å; D1333-D1335 VanDerWaalsContact C-N 3.35Å; D1333-D1335 PolarHBondContact O-N 2.8Å; D1333-I1336 PolarHBondContact O-N 3.17Å; D1333-M1337 VanDerWaalsContact O-CG 3.28Å; D1333-M1337 WeakPolarHBondContact O-CG 3.2Å; D1333-M1337 PolarHBondContact O-N 3.35Å |
| 1334 | G | 87.1 | Confident | 88.9 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1332 R1338 | G1332-G1334 PolarHBondContact O-N 3.05Å; G1334-R1338 WeakPolarHBondContact O-CB 3.31Å; G1334-R1338 PolarHBondContact O-N 3.43Å |
| 1335 | D | 91.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.032 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.8 | -40.8 | 175.4 | -63.4 | -42.3 | 0 | 0 | 0 | 110.5 | Y1329 P1330 N1331 G1332 D1333 M1337 R1338 D1339 | Y1329-D1335 HydrophobicContact CD1-CB 3.86Å; P1330-D1335 WeakPolarHBondContact CD-OD2 3.43Å; N1331-D1335 WeakPolarHBondContact CA-OD2 3.33Å; N1331-D1335 VanDerWaalsContact CB-OD2 3.25Å; N1331-D1335 WeakPolarHBondContact CB-OD2 3.34Å; N1331-D1335 PolarHBondContact N-OD2 3.46Å; N1331-D1335 VanDerWaalsContact ND2-CG 3.33Å; N1331-D1335 PolarHBondContact ND2-OD1 2.96Å; N1331-D1335 PolarHBondContact ND2-OD2 3.4Å; G1332-D1335 PolarHBondContact O-N 3.43Å; D1333-D1335 VanDerWaalsContact C-N 3.35Å; D1333-D1335 PolarHBondContact O-N 2.8Å; D1335-M1337 PolarHBondContact O-N 3.48Å; D1335-R1338 WeakPolarHBondContact O-CB 3.35Å; D1335-R1338 PolarHBondContact O-N 3.19Å; D1335-R1338 IonicContact OD1-CZ 2.65Å; D1335-R1338 IonicContact OD1-NH1 2.62Å; D1335-R1338 PolarHBondContact OD1-NH1 3.21Å; D1335-R1338 IonicContact OD1-NH2 3.5Å; D1335-D1339 WeakPolarHBondContact O-CB 3.48Å; D1335-D1339 PolarHBondContact O-N 2.88Å; D1335-D1339 VanDerWaalsContact O-OD2 3.06Å |
| 1336 | I | 89.5 | Confident | 89.4 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 178.9 | -61.9 | 172.1 | 0 | 0 | 0 | 111.2 | F1325 Y1329 G1332 D1333 D1339 K1340 | F1325-I1336 HydrophobicContact CE2-CD1 4.37Å; F1325-I1336 HydrophobicContact CZ-CD1 3.94Å; Y1329-I1336 HydrophobicContact CD1-CG1 3.67Å; Y1329-I1336 HydrophobicContact CD2-CD1 4.1Å; Y1329-I1336 HydrophobicContact CD2-CG1 3.91Å; Y1329-I1336 HydrophobicContact CE1-CG1 3.79Å; Y1329-I1336 HydrophobicContact CE2-CD1 4.35Å; Y1329-I1336 HydrophobicContact CE2-CG1 4.03Å; Y1329-I1336 HydrophobicContact CG-CD1 4.26Å; Y1329-I1336 HydrophobicContact CG-CG1 3.72Å; G1332-I1336 PolarHBondContact O-N 2.87Å; D1333-I1336 PolarHBondContact O-N 3.17Å; I1336-D1339 PolarHBondContact O-N 3Å; I1336-K1340 HydrophobicContact CG2-CD 4.27Å; I1336-K1340 WeakPolarHBondContact O-CB 3.4Å; I1336-K1340 WeakPolarHBondContact O-CG 3.43Å; I1336-K1340 PolarHBondContact O-N 2.98Å |
| 1337 | M | 90.4 | Very high | 89.7 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 49% | 0.493 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 179.4 | -63 | -58.4 | 164.5 | 0 | 0 | 112.3 | D1333 D1335 K1340 L1341 | D1333-M1337 VanDerWaalsContact O-CG 3.28Å; D1333-M1337 WeakPolarHBondContact O-CG 3.2Å; D1333-M1337 PolarHBondContact O-N 3.35Å; D1335-M1337 PolarHBondContact O-N 3.48Å; M1337-K1340 PolarHBondContact O-N 2.88Å; M1337-K1340 HydrophobicContact SD-CD 4.26Å; M1337-L1341 WeakPolarHBondContact O-CG 3.49Å; M1337-L1341 PolarHBondContact O-N 3.5Å |
| 1338 | R | 93.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 171.5 | 172.4 | -162 | 69 | -172.2 | 0.9 | 111.2 | G1334 D1335 F1342 L1433 S1434 | G1334-R1338 WeakPolarHBondContact O-CB 3.31Å; G1334-R1338 PolarHBondContact O-N 3.43Å; D1335-R1338 WeakPolarHBondContact O-CB 3.35Å; D1335-R1338 PolarHBondContact O-N 3.19Å; D1335-R1338 IonicContact OD1-CZ 2.65Å; D1335-R1338 IonicContact OD1-NH1 2.62Å; D1335-R1338 PolarHBondContact OD1-NH1 3.21Å; D1335-R1338 IonicContact OD1-NH2 3.5Å; R1338-F1342 PolarHBondContact O-N 3.25Å; R1338-F1342 VanDerWaalsContact O-N 3.15Å; R1338-L1433 HydrophobicContact CG-CD1 4.11Å; R1338-S1434 PolarHBondContact NH2-OG 3.47Å |
| 1339 | D | 93 | Very high | 89.7 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | -179 | -83.1 | -94.8 | 0 | 0 | 0 | 112.3 | D1335 I1336 F1342 H1343 A1431 L1432 L1433 S1434 | D1335-D1339 WeakPolarHBondContact O-CB 3.48Å; D1335-D1339 PolarHBondContact O-N 2.88Å; D1335-D1339 VanDerWaalsContact O-OD2 3.06Å; I1336-D1339 PolarHBondContact O-N 3Å; D1339-F1342 PolarHBondContact O-N 2.78Å; D1339-H1343 WeakPolarHBondContact O-CB 3.48Å; D1339-H1343 PolarHBondContact O-N 3.03Å; D1339-A1431 VanDerWaalsContact OD1-CA 3.27Å; D1339-A1431 WeakPolarHBondContact OD1-CA 3.34Å; D1339-L1432 PolarHBondContact OD1-N 3.46Å; D1339-L1433 WeakPolarHBondContact OD1-CA 3.09Å; D1339-L1433 WeakPolarHBondContact OD1-CB 3.48Å; D1339-L1433 PolarHBondContact OD1-N 2.83Å; D1339-S1434 PolarHBondContact OD1-N 3.5Å; D1339-S1434 PolarHBondContact OD2-N 2.97Å; D1339-S1434 PolarHBondContact OD2-OG 3.21Å |
| 1340 | K | 92.7 | Very high | 89.8 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -51 | 172.1 | -78.1 | 177.9 | 178.1 | -174.3 | 0 | 112.9 | I1336 M1337 F1342 H1343 E1344 | I1336-K1340 HydrophobicContact CG2-CD 4.27Å; I1336-K1340 WeakPolarHBondContact O-CB 3.4Å; I1336-K1340 WeakPolarHBondContact O-CG 3.43Å; I1336-K1340 PolarHBondContact O-N 2.98Å; M1337-K1340 PolarHBondContact O-N 2.88Å; M1337-K1340 HydrophobicContact SD-CD 4.26Å; K1340-F1342 PolarHBondContact O-N 3.48Å; K1340-H1343 PolarHBondContact O-N 2.84Å; K1340-H1343 VanDerWaalsContact O-N 3.1Å; K1340-E1344 WeakPolarHBondContact O-CG 3.47Å; K1340-E1344 PolarHBondContact O-N 3.19Å |
| 1341 | L | 91.8 | Very high | 89.9 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 57% | 0.571 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.1 | -35 | 178.1 | -72.6 | 169.1 | 0 | 0 | 0 | 112 | M1337 T1345 | M1337-L1341 WeakPolarHBondContact O-CG 3.49Å; M1337-L1341 PolarHBondContact O-N 3.5Å; L1341-T1345 WeakPolarHBondContact O-CB 3.43Å; L1341-T1345 PolarHBondContact O-N 2.79Å; L1341-T1345 PolarHBondContact O-OG1 3.12Å |
| 1342 | F | 92.6 | Very high | 90 | Very high | 24 Ų | 24 | 61.5 Ų | 61.5 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70 | -46.3 | 173.7 | -169.8 | -116.4 | 0 | 0 | 0 | 111.9 | R1338 D1339 K1340 E1344 T1345 V1346 L1432 L1433 V1462 I1465 K1466 | R1338-F1342 PolarHBondContact O-N 3.25Å; R1338-F1342 VanDerWaalsContact O-N 3.15Å; D1339-F1342 PolarHBondContact O-N 2.78Å; K1340-F1342 PolarHBondContact O-N 3.48Å; F1342-E1344 PolarHBondContact O-N 2.69Å; F1342-T1345 CarbonylContact O-C 3.58Å; F1342-T1345 PolarHBondContact O-N 3.29Å; F1342-T1345 VanDerWaalsContact O-N 3.09Å; F1342-V1346 HydrophobicContact CD1-CG2 4.18Å; F1342-V1346 HydrophobicContact CD2-CG2 4.42Å; F1342-V1346 HydrophobicContact CE1-CG2 3.84Å; F1342-V1346 HydrophobicContact CE2-CG2 4.09Å; F1342-V1346 HydrophobicContact CG-CG2 4.46Å; F1342-V1346 HydrophobicContact CZ-CG2 3.79Å; F1342-V1346 WeakPolarHBondContact O-CG2 3.26Å; F1342-V1346 PolarHBondContact O-N 3.11Å; F1342-L1432 HydrophobicContact CE1-CD2 4.07Å; F1342-L1433 HydrophobicContact CB-CD1 3.81Å; F1342-L1433 HydrophobicContact CB-CG 4.4Å; F1342-L1433 HydrophobicContact CD1-CD1 3.98Å; F1342-L1433 HydrophobicContact CD1-CD2 3.85Å; F1342-L1433 HydrophobicContact CD1-CG 3.74Å; F1342-L1433 HydrophobicContact CD2-CD1 4.4Å; F1342-L1433 HydrophobicContact CE1-CD2 3.82Å; F1342-L1433 HydrophobicContact CE1-CG 4.24Å; F1342-L1433 HydrophobicContact CG-CD1 3.8Å; F1342-L1433 HydrophobicContact CG-CD2 4.38Å; F1342-L1433 HydrophobicContact CG-CG 4.12Å; F1342-L1433 HydrophobicContact CZ-CD2 4.35Å; F1342-V1462 HydrophobicContact CE1-CG1 4.24Å; F1342-V1462 HydrophobicContact CZ-CG1 4.34Å; F1342-I1465 HydrophobicContact CZ-CG2 3.9Å; F1342-K1466 HydrophobicContact CD2-CG 4.46Å; F1342-K1466 HydrophobicContact CE2-CB 4.41Å; F1342-K1466 HydrophobicContact CE2-CG 3.53Å; F1342-K1466 HydrophobicContact CZ-CG 3.8Å |
| 1343 | H | 92.4 | Very high | 90 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.8 | -178.1 | 87.3 | 0 | 0 | 0 | 112.7 | D1339 K1340 T1345 V1346 E1347 N1428 | D1339-H1343 WeakPolarHBondContact O-CB 3.48Å; D1339-H1343 PolarHBondContact O-N 3.03Å; K1340-H1343 PolarHBondContact O-N 2.84Å; K1340-H1343 VanDerWaalsContact O-N 3.1Å; H1343-T1345 PolarHBondContact O-N 2.81Å; H1343-V1346 PolarHBondContact O-N 2.96Å; H1343-E1347 WeakPolarHBondContact O-CB 3.49Å; H1343-E1347 PolarHBondContact O-N 3.22Å; H1343-N1428 PolarHBondContact CE1-ND2 2.93Å; H1343-N1428 VanDerWaalsContact CE1-ND2 3.35Å; H1343-N1428 PolarHBondContact CE1-O 3.03Å; H1343-N1428 VanDerWaalsContact ND1-CG 3.28Å; H1343-N1428 PolarHBondContact ND1-ND2 3.03Å; H1343-N1428 PolarHBondContact ND1-O 2.77Å; H1343-N1428 PolarHBondContact ND1-OD1 3.47Å; H1343-N1428 VanDerWaalsContact ND1-OD1 3.1Å; H1343-N1428 PolarHBondContact O-ND2 2.66Å |
| 1344 | E | 92.5 | Very high | 90.1 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -30.5 | 173.5 | -70.8 | 169.5 | -162.5 | 0 | 0 | 112.6 | K1340 F1342 R1348 | K1340-E1344 WeakPolarHBondContact O-CG 3.47Å; K1340-E1344 PolarHBondContact O-N 3.19Å; F1342-E1344 PolarHBondContact O-N 2.69Å; E1344-R1348 PolarHBondContact O-N 2.95Å |
| 1345 | T | 90.2 | Very high | 90 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -80.9 | -39.8 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L1341 F1342 H1343 E1347 R1348 L1349 A1469 | L1341-T1345 WeakPolarHBondContact O-CB 3.43Å; L1341-T1345 PolarHBondContact O-N 2.79Å; L1341-T1345 PolarHBondContact O-OG1 3.12Å; F1342-T1345 CarbonylContact O-C 3.58Å; F1342-T1345 PolarHBondContact O-N 3.29Å; F1342-T1345 VanDerWaalsContact O-N 3.09Å; H1343-T1345 PolarHBondContact O-N 2.81Å; T1345-E1347 VanDerWaalsContact C-N 3.33Å; T1345-R1348 PolarHBondContact O-N 2.92Å; T1345-L1349 WeakPolarHBondContact O-CB 3.48Å; T1345-L1349 PolarHBondContact O-N 3.19Å; T1345-A1469 HydrophobicContact CG2-CB 3.69Å |
| 1346 | V | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -34.9 | 172.6 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | F1342 H1343 L1349 S1350 N1428 I1465 | F1342-V1346 HydrophobicContact CD1-CG2 4.18Å; F1342-V1346 HydrophobicContact CD2-CG2 4.42Å; F1342-V1346 HydrophobicContact CE1-CG2 3.84Å; F1342-V1346 HydrophobicContact CE2-CG2 4.09Å; F1342-V1346 HydrophobicContact CG-CG2 4.46Å; F1342-V1346 HydrophobicContact CZ-CG2 3.79Å; F1342-V1346 WeakPolarHBondContact O-CG2 3.26Å; F1342-V1346 PolarHBondContact O-N 3.11Å; H1343-V1346 PolarHBondContact O-N 2.96Å; V1346-L1349 PolarHBondContact O-N 3.48Å; V1346-S1350 VanDerWaalsContact O-CB 3.3Å; V1346-S1350 WeakPolarHBondContact O-CB 3.2Å; V1346-S1350 PolarHBondContact O-N 2.85Å; V1346-N1428 WeakPolarHBondContact CB-OD1 3.45Å; V1346-N1428 HydrophobicContact CG1-CB 4.01Å; V1346-N1428 WeakPolarHBondContact CG1-OD1 3.24Å; V1346-I1465 HydrophobicContact CG2-CG2 3.73Å |
| 1347 | E | 92.2 | Very high | 89.2 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 174.2 | -175.9 | -177.9 | -157.3 | 0 | 0 | 111 | H1343 T1345 L1349 S1350 A1351 N1428 | H1343-E1347 WeakPolarHBondContact O-CB 3.49Å; H1343-E1347 PolarHBondContact O-N 3.22Å; T1345-E1347 VanDerWaalsContact C-N 3.33Å; E1347-L1349 PolarHBondContact O-N 3.44Å; E1347-S1350 WeakPolarHBondContact O-CB 3.49Å; E1347-S1350 PolarHBondContact O-N 3.37Å; E1347-S1350 VanDerWaalsContact O-N 3.14Å; E1347-S1350 PolarHBondContact O-OG 3.05Å; E1347-A1351 PolarHBondContact O-N 3.12Å; E1347-N1428 PolarHBondContact N-ND2 3.24Å |
| 1348 | R | 88.3 | Confident | 88.7 | Confident | 134 Ų | 134 | 62 Ų | 62 | 51% | 0.506 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 175.6 | -167.4 | -171.4 | -46.2 | 121.4 | 19.4 | 111.8 | E1344 T1345 S1350 A1351 | E1344-R1348 PolarHBondContact O-N 2.95Å; T1345-R1348 PolarHBondContact O-N 2.92Å; R1348-S1350 VanDerWaalsContact C-N 3.27Å; R1348-S1350 PolarHBondContact O-N 3.12Å; R1348-A1351 WeakPolarHBondContact O-CB 3.24Å; R1348-A1351 PolarHBondContact O-N 3.21Å |
| 1349 | L | 88 | Confident | 87.9 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 177.9 | -175.2 | 64.8 | 0 | 0 | 0 | 111.9 | T1345 V1346 E1347 A1351 T1352 I1353 I1465 L1468 A1469 D1472 | T1345-L1349 WeakPolarHBondContact O-CB 3.48Å; T1345-L1349 PolarHBondContact O-N 3.19Å; V1346-L1349 PolarHBondContact O-N 3.48Å; E1347-L1349 PolarHBondContact O-N 3.44Å; L1349-A1351 VanDerWaalsContact C-N 3.3Å; L1349-A1351 PolarHBondContact O-N 2.89Å; L1349-T1352 PolarHBondContact O-N 3.01Å; L1349-I1353 HydrophobicContact CD1-CD1 3.71Å; L1349-I1353 HydrophobicContact CD1-CG1 4.46Å; L1349-I1353 HydrophobicContact CD2-CD1 4.35Å; L1349-I1353 HydrophobicContact CG-CD1 3.58Å; L1349-I1353 WeakPolarHBondContact O-CB 3.22Å; L1349-I1353 WeakPolarHBondContact O-CD1 3.32Å; L1349-I1353 WeakPolarHBondContact O-CG1 3.29Å; L1349-I1353 PolarHBondContact O-N 3.22Å; L1349-I1465 HydrophobicContact CD2-CG2 4.17Å; L1349-L1468 HydrophobicContact CD1-CD2 4.33Å; L1349-L1468 HydrophobicContact CD1-CG 4.17Å; L1349-L1468 HydrophobicContact CD2-CB 4.43Å; L1349-L1468 HydrophobicContact CD2-CD2 4.35Å; L1349-L1468 HydrophobicContact CD2-CG 4.46Å; L1349-A1469 HydrophobicContact CD2-CB 4.22Å; L1349-D1472 HydrophobicContact CD1-CB 4.12Å; L1349-D1472 WeakPolarHBondContact CD1-OD2 3.47Å |
| 1350 | S | 90.4 | Very high | 87.4 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -29.1 | 177.5 | 85.5 | 0 | 0 | 0 | 0 | 112.9 | V1346 E1347 R1348 K1426 | V1346-S1350 VanDerWaalsContact O-CB 3.3Å; V1346-S1350 WeakPolarHBondContact O-CB 3.2Å; V1346-S1350 PolarHBondContact O-N 2.85Å; E1347-S1350 WeakPolarHBondContact O-CB 3.49Å; E1347-S1350 PolarHBondContact O-N 3.37Å; E1347-S1350 VanDerWaalsContact O-N 3.14Å; E1347-S1350 PolarHBondContact O-OG 3.05Å; R1348-S1350 VanDerWaalsContact C-N 3.27Å; R1348-S1350 PolarHBondContact O-N 3.12Å; S1350-K1426 PolarHBondContact O-NZ 3.49Å |
| 1351 | A | 87.2 | Confident | 86.9 | Confident | 88 Ų | 88 | 57 Ų | 57 | 73% | 0.727 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -72.3 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1347 R1348 L1349 | E1347-A1351 PolarHBondContact O-N 3.12Å; R1348-A1351 WeakPolarHBondContact O-CB 3.24Å; R1348-A1351 PolarHBondContact O-N 3.21Å; L1349-A1351 VanDerWaalsContact C-N 3.3Å; L1349-A1351 PolarHBondContact O-N 2.89Å |
| 1352 | T | 84.5 | Confident | 86.7 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73 | -31.5 | 178.1 | -45.7 | 0 | 0 | 0 | 0 | 112.6 | L1349 | L1349-T1352 PolarHBondContact O-N 3.01Å |
| 1353 | I | 86.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | trans | -83.3 | 128.9 | -167.2 | -78.7 | 169.2 | 0 | 0 | 0 | 114.3 | L1349 I1360 F1422 I1425 K1426 L1468 | L1349-I1353 HydrophobicContact CD1-CD1 3.71Å; L1349-I1353 HydrophobicContact CD1-CG1 4.46Å; L1349-I1353 HydrophobicContact CD2-CD1 4.35Å; L1349-I1353 HydrophobicContact CG-CD1 3.58Å; L1349-I1353 WeakPolarHBondContact O-CB 3.22Å; L1349-I1353 WeakPolarHBondContact O-CD1 3.32Å; L1349-I1353 WeakPolarHBondContact O-CG1 3.29Å; L1349-I1353 PolarHBondContact O-N 3.22Å; I1353-I1360 HydrophobicContact CB-CD1 4.44Å; I1353-I1360 HydrophobicContact CD1-CD1 4.03Å; I1353-I1360 HydrophobicContact CG1-CD1 4.2Å; I1353-I1360 HydrophobicContact CG2-CD1 3.42Å; I1353-I1360 VanDerWaalsContact CG2-CD1 3.42Å; I1353-F1422 HydrophobicContact CG2-CD2 3.66Å; I1353-F1422 HydrophobicContact CG2-CE2 3.77Å; I1353-I1425 HydrophobicContact CD1-CD1 3.61Å; I1353-I1425 HydrophobicContact CD1-CG2 4.25Å; I1353-K1426 WeakPolarHBondContact O-CE 3.45Å; I1353-K1426 PolarHBondContact O-NZ 3.42Å; I1353-L1468 HydrophobicContact CD1-CD2 3.56Å | ||
| 1354 | T | 86.3 | Confident | 86 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | -119.7 | 161.5 | 172.6 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | G1356 H1357 | T1354-G1356 PolarHBondContact O-N 3.47Å; T1354-H1357 WeakPolarHBondContact O-CB 3.3Å; T1354-H1357 PolarHBondContact O-N 3.17Å | ||
| 1355 | P | 84.9 | Confident | 85.6 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 20% | 0.195 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.1 | -178.6 | -25.6 | 36.3 | 0 | 0 | 0 | 113.5 | H1357 I1362 S1370 F1422 | P1355-H1357 VanDerWaalsContact C-N 3.25Å; P1355-H1357 PolarHBondContact O-N 2.98Å; P1355-I1362 HydrophobicContact CB-CD1 4.35Å; P1355-I1362 WeakPolarHBondContact O-CB 3.21Å; P1355-S1370 WeakPolarHBondContact CG-OG 3.33Å; P1355-F1422 HydrophobicContact CG-CE2 3.95Å; P1355-F1422 HydrophobicContact CG-CZ 3.82Å |
| 1356 | G | 81.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 53% | 0.526 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 10.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1354 K1358 | T1354-G1356 PolarHBondContact O-N 3.47Å; G1356-K1358 PolarHBondContact O-N 3.09Å |
| 1357 | H | 84.3 | Confident | 85.3 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 19% | 0.185 | 33% | 0.326 | C | S | . | . | trans | -60.9 | 134.2 | -174.2 | -174.1 | -122.1 | 0 | 0 | 0 | 112.3 | T1354 P1355 N1359 I1360 A1361 | T1354-H1357 WeakPolarHBondContact O-CB 3.3Å; T1354-H1357 PolarHBondContact O-N 3.17Å; P1355-H1357 VanDerWaalsContact C-N 3.25Å; P1355-H1357 PolarHBondContact O-N 2.98Å; H1357-N1359 PolarHBondContact O-N 3.42Å; H1357-I1360 HydrophobicContact CB-CD1 4.22Å; H1357-I1360 HydrophobicContact CB-CG1 4.27Å; H1357-I1360 PolarHBondContact O-N 3.04Å; H1357-A1361 PolarHBondContact O-N 2.9Å | ||
| 1358 | K | 78.4 | Confident | 84.7 | Confident | 133 Ų | 133 | 55.2 Ų | 55.2 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.3 | -171.8 | -74.3 | -177.6 | -178 | 170.7 | 0 | 114.4 | M976 G1356 | M976-K1358 WeakPolarHBondContact CB-O 3.23Å; M976-K1358 WeakPolarHBondContact CE-O 3.43Å; G1356-K1358 PolarHBondContact O-N 3.09Å |
| 1359 | N | 77.2 | Confident | 84.4 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.4 | -178.4 | -62.7 | -10.3 | 0 | 0 | 0 | 114.1 | H1357 F1464 L1468 | H1357-N1359 PolarHBondContact O-N 3.42Å; N1359-F1464 VanDerWaalsContact O-CZ 3.31Å; N1359-F1464 WeakPolarHBondContact O-CZ 3.36Å; N1359-L1468 HydrophobicContact CB-CD1 3.52Å |
| 1360 | I | 83 | Confident | 84.2 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -27.8 | 179 | -50.7 | 178.8 | 0 | 0 | 0 | 111.6 | I1353 H1357 I1362 P1418 V1421 F1422 L1468 | I1353-I1360 HydrophobicContact CB-CD1 4.44Å; I1353-I1360 HydrophobicContact CD1-CD1 4.03Å; I1353-I1360 HydrophobicContact CG1-CD1 4.2Å; I1353-I1360 HydrophobicContact CG2-CD1 3.42Å; I1353-I1360 VanDerWaalsContact CG2-CD1 3.42Å; H1357-I1360 HydrophobicContact CB-CD1 4.22Å; H1357-I1360 HydrophobicContact CB-CG1 4.27Å; H1357-I1360 PolarHBondContact O-N 3.04Å; I1360-I1362 VanDerWaalsContact C-N 3.33Å; I1360-I1362 HydrophobicContact CG2-CD1 4.12Å; I1360-I1362 HydrophobicContact CG2-CG1 3.72Å; I1360-I1362 PolarHBondContact O-N 3.35Å; I1360-P1418 HydrophobicContact CG2-CB 4.23Å; I1360-P1418 WeakPolarHBondContact CG2-O 3.39Å; I1360-P1418 WeakPolarHBondContact O-CB 3.33Å; I1360-V1421 HydrophobicContact CG2-CG1 4.49Å; I1360-F1422 HydrophobicContact CD1-CD2 4.41Å; I1360-L1468 HydrophobicContact CG1-CD2 4.42Å |
| 1361 | A | 81.1 | Confident | 84.1 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | trans | 72.3 | -1.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119 | M976 H1357 | M976-A1361 HydrophobicContact CE-CB 3.38Å; M976-A1361 HydrophobicContact SD-CB 3.67Å; H1357-A1361 PolarHBondContact O-N 2.9Å | ||
| 1362 | I | 87.9 | Confident | 84.2 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | trans | -46.7 | 122.5 | -166.9 | -45.3 | -176.4 | 0 | 0 | 0 | 111.3 | P1355 I1360 S1364 H1367 W1372 P1418 V1419 F1422 | P1355-I1362 HydrophobicContact CB-CD1 4.35Å; P1355-I1362 WeakPolarHBondContact O-CB 3.21Å; I1360-I1362 VanDerWaalsContact C-N 3.33Å; I1360-I1362 HydrophobicContact CG2-CD1 4.12Å; I1360-I1362 HydrophobicContact CG2-CG1 3.72Å; I1360-I1362 PolarHBondContact O-N 3.35Å; I1362-S1364 PolarHBondContact O-N 3.43Å; I1362-H1367 PolarHBondContact O-NE2 2.8Å; I1362-W1372 HydrophobicContact CD1-CH2 3.71Å; I1362-W1372 HydrophobicContact CD1-CZ3 3.96Å; I1362-W1372 HydrophobicContact CG2-CH2 4.11Å; I1362-W1372 HydrophobicContact CG2-CZ2 4.5Å; I1362-P1418 HydrophobicContact CG1-CB 3.86Å; I1362-V1419 HydrophobicContact CD1-CG2 4.49Å; I1362-V1419 HydrophobicContact CG2-CG2 3.88Å; I1362-F1422 HydrophobicContact CD1-CB 3.84Å; I1362-F1422 HydrophobicContact CD1-CD2 4.23Å; I1362-F1422 HydrophobicContact CD1-CG 4.08Å | ||
| 1363 | P | 85.1 | Confident | 84.4 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | trans | -54.5 | 136.6 | 177.5 | -28.1 | 34.8 | 0 | 0 | 0 | 112.7 | M1365 Y1366 H1367 | P1363-M1365 HydrophobicContact CB-CG 3.9Å; P1363-M1365 HydrophobicContact CB-SD 4.36Å; P1363-M1365 PolarHBondContact O-N 3.09Å; P1363-M1365 VanDerWaalsContact O-N 3.15Å; P1363-Y1366 HydrophobicContact CB-CD2 3.78Å; P1363-Y1366 HydrophobicContact CB-CE2 4.08Å; P1363-Y1366 HydrophobicContact CG-CD2 3.96Å; P1363-Y1366 HydrophobicContact CG-CE2 4.03Å; P1363-Y1366 PolarHBondContact O-N 3.04Å; P1363-H1367 PolarHBondContact O-CD2 2.97Å; P1363-H1367 VanDerWaalsContact O-CD2 3.26Å | ||
| 1364 | S | 85 | Confident | 84.4 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -63.2 | -23.3 | -174.6 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | I1362 Y1366 H1367 | I1362-S1364 PolarHBondContact O-N 3.43Å; S1364-Y1366 PolarHBondContact O-N 3.41Å; S1364-H1367 WeakPolarHBondContact O-CB 3.24Å; S1364-H1367 PolarHBondContact O-N 2.87Å |
| 1365 | M | 84.5 | Confident | 84.6 | Confident | 87 Ų | 87 | 50.6 Ų | 50.6 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -58.6 | -29 | 171.4 | 60.7 | -167.7 | -74.9 | 0 | 0 | 113.1 | P1363 | P1363-M1365 HydrophobicContact CB-CG 3.9Å; P1363-M1365 HydrophobicContact CB-SD 4.36Å; P1363-M1365 PolarHBondContact O-N 3.09Å; P1363-M1365 VanDerWaalsContact O-N 3.15Å |
| 1366 | Y | 87.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -93.2 | -1 | -179.8 | -56.1 | -50.8 | 0 | 0 | 0 | 113.4 | P1363 S1364 A1368 W1372 L1403 D1415 | P1363-Y1366 HydrophobicContact CB-CD2 3.78Å; P1363-Y1366 HydrophobicContact CB-CE2 4.08Å; P1363-Y1366 HydrophobicContact CG-CD2 3.96Å; P1363-Y1366 HydrophobicContact CG-CE2 4.03Å; P1363-Y1366 PolarHBondContact O-N 3.04Å; S1364-Y1366 PolarHBondContact O-N 3.41Å; Y1366-A1368 PolarHBondContact O-N 2.78Å; Y1366-W1372 WeakPolarHBondContact O-CZ2 3.47Å; Y1366-L1403 HydrophobicContact CD1-CB 4.29Å; Y1366-L1403 HydrophobicContact CD1-CD2 3.31Å; Y1366-L1403 HydrophobicContact CD1-CG 4.37Å; Y1366-L1403 HydrophobicContact CD2-CD2 3.91Å; Y1366-L1403 HydrophobicContact CE1-CB 3.97Å; Y1366-L1403 HydrophobicContact CE1-CD2 3.78Å; Y1366-L1403 HydrophobicContact CE1-CG 4.43Å; Y1366-L1403 HydrophobicContact CE2-CD2 4.33Å; Y1366-L1403 HydrophobicContact CG-CD2 3.37Å; Y1366-D1415 HydrophobicContact CE2-CB 3.96Å |
| 1367 | H | 87.1 | Confident | 85 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -71.2 | -18.6 | -177.1 | -70.3 | -169.8 | 0 | 0 | 0 | 113.1 | I1362 P1363 S1364 S1370 | I1362-H1367 PolarHBondContact O-NE2 2.8Å; P1363-H1367 PolarHBondContact O-CD2 2.97Å; P1363-H1367 VanDerWaalsContact O-CD2 3.26Å; S1364-H1367 WeakPolarHBondContact O-CB 3.24Å; S1364-H1367 PolarHBondContact O-N 2.87Å; H1367-S1370 VanDerWaalsContact O-CB 3.28Å; H1367-S1370 WeakPolarHBondContact O-CB 3.49Å; H1367-S1370 PolarHBondContact O-N 2.93Å |
| 1368 | A | 80.9 | Confident | 85 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 72% | 0.719 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -62.7 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1366 S1370 | Y1366-A1368 PolarHBondContact O-N 2.78Å; A1368-S1370 VanDerWaalsContact C-N 3.27Å; A1368-S1370 PolarHBondContact O-N 2.99Å |
| 1369 | E | 81.2 | Confident | 85.2 | Confident | 76 Ų | 76 | 46.8 Ų | 46.8 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -83.7 | -0.9 | 179.3 | -64.5 | -56.7 | 133.9 | 0 | 0 | 113.3 | W1372 L1402 S1406 | E1369-W1372 WeakPolarHBondContact O-CA 3.39Å; E1369-W1372 PolarHBondContact O-N 3.33Å; E1369-L1402 HydrophobicContact CG-CB 4.46Å; E1369-S1406 VanDerWaalsContact CG-OG 3.23Å; E1369-S1406 WeakPolarHBondContact CG-OG 3.4Å |
| 1370 | S | 84 | Confident | 84.5 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 131.6 | -177.3 | -149.2 | 0 | 0 | 0 | 0 | 110.7 | P1355 H1367 A1368 W1372 | P1355-S1370 WeakPolarHBondContact CG-OG 3.33Å; H1367-S1370 VanDerWaalsContact O-CB 3.28Å; H1367-S1370 WeakPolarHBondContact O-CB 3.49Å; H1367-S1370 PolarHBondContact O-N 2.93Å; A1368-S1370 VanDerWaalsContact C-N 3.27Å; A1368-S1370 PolarHBondContact O-N 2.99Å; S1370-W1372 VanDerWaalsContact OG-CH2 3.22Å; S1370-W1372 WeakPolarHBondContact OG-CH2 3.29Å; S1370-W1372 WeakPolarHBondContact OG-CZ3 3.37Å |
| 1371 | P | 87.5 | Confident | 83.4 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -101 | 21.6 | 23.2 | 40.5 | -38.8 | 0 | 0 | 0 | 115.8 | Q1376 F1422 | P1371-Q1376 PolarHBondContact O-NE2 3.43Å; P1371-F1422 HydrophobicContact CB-CE1 3.83Å; P1371-F1422 HydrophobicContact CB-CZ 4.43Å |
| 1372 | W | 90.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | 56.2 | 55.5 | -177.2 | -50.2 | -85 | 0 | 0 | 0 | 114 | I1362 Y1366 E1369 S1370 S1374 A1375 Q1376 L1402 V1419 F1422 V1423 | I1362-W1372 HydrophobicContact CD1-CH2 3.71Å; I1362-W1372 HydrophobicContact CD1-CZ3 3.96Å; I1362-W1372 HydrophobicContact CG2-CH2 4.11Å; I1362-W1372 HydrophobicContact CG2-CZ2 4.5Å; Y1366-W1372 WeakPolarHBondContact O-CZ2 3.47Å; E1369-W1372 WeakPolarHBondContact O-CA 3.39Å; E1369-W1372 PolarHBondContact O-N 3.33Å; S1370-W1372 VanDerWaalsContact OG-CH2 3.22Å; S1370-W1372 WeakPolarHBondContact OG-CH2 3.29Å; S1370-W1372 WeakPolarHBondContact OG-CZ3 3.37Å; W1372-S1374 PolarHBondContact O-N 2.96Å; W1372-A1375 HydrophobicContact CB-CB 4.22Å; W1372-A1375 PolarHBondContact O-N 2.86Å; W1372-Q1376 PolarHBondContact O-N 2.82Å; W1372-Q1376 VanDerWaalsContact O-N 3.13Å; W1372-L1402 HydrophobicContact CB-CD1 4.41Å; W1372-V1419 HydrophobicContact CD2-CG1 3.6Å; W1372-V1419 HydrophobicContact CE3-CG1 3.81Å; W1372-V1419 HydrophobicContact CG-CG1 4.15Å; W1372-V1419 HydrophobicContact CH2-CG1 4.13Å; W1372-V1419 HydrophobicContact CH2-CG2 4.1Å; W1372-V1419 HydrophobicContact CZ2-CG1 3.9Å; W1372-V1419 HydrophobicContact CZ2-CG2 3.95Å; W1372-V1419 HydrophobicContact CZ3-CG1 4.06Å; W1372-F1422 AromaticContact CE3-CD1 3.77Å; W1372-F1422 HydrophobicContact CE3-CD1 3.77Å; W1372-F1422 HydrophobicContact CE3-CE1 4.08Å; W1372-F1422 HydrophobicContact CZ3-CB 4.45Å; W1372-F1422 AromaticContact CZ3-CD1 3.45Å; W1372-F1422 HydrophobicContact CZ3-CD1 3.45Å; W1372-F1422 VanDerWaalsContact CZ3-CD1 3.45Å; W1372-F1422 AromaticContact CZ3-CE1 3.79Å; W1372-F1422 HydrophobicContact CZ3-CE1 3.79Å; W1372-F1422 HydrophobicContact CZ3-CG 4.06Å; W1372-V1423 HydrophobicContact CB-CG2 3.99Å; W1372-V1423 HydrophobicContact CE3-CG2 4.2Å | ||
| 1373 | P | 88.5 | Confident | 81.3 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.8 | -32.4 | -174 | 25 | -34.9 | 0 | 0 | 0 | 113.7 | A1375 Q1376 A1377 | P1373-A1375 PolarHBondContact O-N 2.96Å; P1373-Q1376 WeakPolarHBondContact O-CB 3.48Å; P1373-Q1376 PolarHBondContact O-N 3.27Å; P1373-A1377 PolarHBondContact O-N 3.08Å |
| 1374 | S | 87.2 | Confident | 80.8 | Confident | 70 Ų | 70 | 53 Ų | 53 | 49% | 0.49 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.6 | -45.6 | 0 | 0 | 0 | 0 | 112.1 | W1372 A1377 | W1372-S1374 PolarHBondContact O-N 2.96Å; S1374-A1377 PolarHBondContact O-N 2.84Å |
| 1375 | A | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.3 | -32.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1372 P1373 A1377 C1395 T1398 V1399 V1423 | W1372-A1375 HydrophobicContact CB-CB 4.22Å; W1372-A1375 PolarHBondContact O-N 2.86Å; P1373-A1375 PolarHBondContact O-N 2.96Å; A1375-A1377 VanDerWaalsContact C-N 3.33Å; A1375-A1377 PolarHBondContact O-N 2.96Å; A1375-C1395 PolarHBondContact O-SG 3.36Å; A1375-C1395 VanDerWaalsContact O-SG 3.38Å; A1375-T1398 HydrophobicContact CB-CG2 4.05Å; A1375-V1399 HydrophobicContact CB-CG2 3.71Å; A1375-V1423 HydrophobicContact CB-CG1 4.2Å; A1375-V1423 HydrophobicContact CB-CG2 4.28Å |
| 1376 | Q | 90.9 | Very high | 80.6 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 174 | -68.4 | -178.4 | 31.2 | 0 | 0 | 112.4 | P1371 W1372 P1373 E1378 L1379 V1423 T1427 | P1371-Q1376 PolarHBondContact O-NE2 3.43Å; W1372-Q1376 PolarHBondContact O-N 2.82Å; W1372-Q1376 VanDerWaalsContact O-N 3.13Å; P1373-Q1376 WeakPolarHBondContact O-CB 3.48Å; P1373-Q1376 PolarHBondContact O-N 3.27Å; Q1376-E1378 VanDerWaalsContact C-N 3.35Å; Q1376-E1378 PolarHBondContact O-N 3.1Å; Q1376-L1379 PolarHBondContact O-N 3.49Å; Q1376-V1423 HydrophobicContact CG-CG1 4.02Å; Q1376-T1427 VanDerWaalsContact CA-OG1 3.27Å; Q1376-T1427 WeakPolarHBondContact CA-OG1 3.47Å; Q1376-T1427 VanDerWaalsContact CB-OG1 3.26Å; Q1376-T1427 WeakPolarHBondContact CB-OG1 3.17Å; Q1376-T1427 WeakPolarHBondContact CG-OG1 3.23Å; Q1376-T1427 PolarHBondContact O-OG1 2.7Å |
| 1377 | A | 83.3 | Confident | 80.4 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 53% | 0.529 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | P1373 S1374 A1375 L1379 A1380 | P1373-A1377 PolarHBondContact O-N 3.08Å; S1374-A1377 PolarHBondContact O-N 2.84Å; A1375-A1377 VanDerWaalsContact C-N 3.33Å; A1375-A1377 PolarHBondContact O-N 2.96Å; A1377-L1379 PolarHBondContact O-N 3.18Å; A1377-A1380 WeakPolarHBondContact O-CB 3.43Å; A1377-A1380 PolarHBondContact O-N 3.27Å; A1377-A1380 VanDerWaalsContact O-N 3.09Å |
| 1378 | E | 84.1 | Confident | 80.4 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 23% | 0.234 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.3 | -179.8 | -74.5 | -63.2 | 138.2 | 0 | 0 | 114.2 | Q1376 C1391 R1394 C1395 | Q1376-E1378 VanDerWaalsContact C-N 3.35Å; Q1376-E1378 PolarHBondContact O-N 3.1Å; E1378-C1391 WeakPolarHBondContact O-CB 3.45Å; E1378-C1391 PolarHBondContact O-SG 3.13Å; E1378-R1394 HydrophobicContact CB-CB 4.43Å; E1378-R1394 HydrophobicContact CG-CB 4.08Å; E1378-R1394 IonicContact OE1-NH1 3.89Å; E1378-R1394 WeakPolarHBondContact OE2-CB 3.49Å; E1378-R1394 WeakPolarHBondContact OE2-CD 3.48Å; E1378-R1394 IonicContact OE2-CZ 3.45Å; E1378-R1394 IonicContact OE2-NE 2.69Å; E1378-R1394 PolarHBondContact OE2-NE 3.09Å; E1378-R1394 IonicContact OE2-NH1 2.71Å; E1378-R1394 PolarHBondContact OE2-NH1 2.92Å; E1378-R1394 IonicContact OE2-NH2 3.7Å; E1378-C1395 HydrophobicContact CB-CB 4.02Å |
| 1379 | L | 82.6 | Confident | 80.9 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -7.3 | 177.8 | -62.7 | 177.5 | 0 | 0 | 0 | 113.7 | Q1376 A1377 I1381 V1392 C1395 V1423 V1424 T1427 P1429 F1458 | Q1376-L1379 PolarHBondContact O-N 3.49Å; A1377-L1379 PolarHBondContact O-N 3.18Å; L1379-I1381 PolarHBondContact O-N 3.36Å; L1379-V1392 HydrophobicContact CD2-CG2 4.16Å; L1379-C1395 HydrophobicContact CD2-CB 3.94Å; L1379-C1395 HydrophobicContact CG-CB 4.11Å; L1379-V1423 HydrophobicContact CD1-CG1 4.22Å; L1379-V1424 HydrophobicContact CD1-CG2 3.91Å; L1379-T1427 HydrophobicContact CB-CG2 4.15Å; L1379-P1429 HydrophobicContact CB-CG 4.38Å; L1379-F1458 HydrophobicContact CD2-CE2 4.19Å |
| 1380 | A | 63.2 | Low | 81.1 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -90.8 | 82.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1377 | A1377-A1380 WeakPolarHBondContact O-CB 3.43Å; A1377-A1380 PolarHBondContact O-N 3.27Å; A1377-A1380 VanDerWaalsContact O-N 3.09Å |
| 1381 | I | 59.5 | Low | 81.3 | Confident | 113 Ų | 113 | 42.7 Ų | 42.7 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | trans | 86.1 | 104.4 | 172.3 | -51.2 | 158.7 | 0 | 0 | 0 | 115.9 | L1379 | L1379-I1381 PolarHBondContact O-N 3.36Š| ||
| 1382 | I | 59.6 | Low | 81.5 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | trans | -144.9 | 156.8 | 139.8 | -43.1 | 175.6 | 0 | 0 | 0 | 110.4 | E1387 K1388 C1391 | I1382-E1387 HydrophobicContact CB-CB 3.88Å; I1382-E1387 HydrophobicContact CD1-CB 3.85Å; I1382-E1387 HydrophobicContact CG1-CB 4.44Å; I1382-E1387 HydrophobicContact CG2-CB 3.39Å; I1382-E1387 HydrophobicContact CG2-CG 3.98Å; I1382-E1387 VanDerWaalsContact CG2-OE2 3.26Å; I1382-E1387 WeakPolarHBondContact CG2-OE2 3.29Å; I1382-K1388 WeakPolarHBondContact O-CE 3.31Å; I1382-K1388 WeakPolarHBondContact O-CG 3.15Å; I1382-K1388 PolarHBondContact O-NZ 3.49Å; I1382-C1391 WeakPolarHBondContact CD1-SG 3.27Å | ||
| 1383 | N | 65.4 | Low | 81.5 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -91.7 | -41.6 | -171.7 | -68.2 | -19.3 | 0 | 0 | 0 | 115.8 | Y1324 K1388 Y1438 | Y1324-N1383 HydrophobicContact CD1-CB 4.21Å; Y1324-N1383 HydrophobicContact CD2-CB 4.31Å; Y1324-N1383 WeakPolarHBondContact CD2-O 3.44Å; Y1324-N1383 HydrophobicContact CE1-CB 4.1Å; Y1324-N1383 VanDerWaalsContact CE1-OD1 3.23Å; Y1324-N1383 WeakPolarHBondContact CE1-OD1 3.46Å; Y1324-N1383 HydrophobicContact CE2-CB 4.23Å; Y1324-N1383 WeakPolarHBondContact CE2-O 3.48Å; Y1324-N1383 HydrophobicContact CG-CB 4.3Å; N1383-K1388 WeakPolarHBondContact O-CE 3.28Å; N1383-Y1438 VanDerWaalsContact O-CE1 3.3Å; N1383-Y1438 WeakPolarHBondContact O-CE1 3.46Å | ||
| 1384 | T | 73 | Confident | 81.6 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -84.5 | 161.1 | -173.5 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | R1317 L1320 R1386 E1387 K1388 | R1317-T1384 HydrophobicContact CB-CG2 4.05Å; R1317-T1384 HydrophobicContact CG-CG2 3.8Å; L1320-T1384 HydrophobicContact CB-CG2 4.19Å; T1384-R1386 PolarHBondContact O-N 3.29Å; T1384-E1387 VanDerWaalsContact CB-OE2 3.23Å; T1384-E1387 WeakPolarHBondContact CB-OE2 3.15Å; T1384-E1387 WeakPolarHBondContact CG2-OE2 3.42Å; T1384-E1387 PolarHBondContact N-OE2 3.34Å; T1384-E1387 PolarHBondContact O-N 3.24Å; T1384-E1387 WeakPolarHBondContact OG1-CB 3.33Å; T1384-E1387 VanDerWaalsContact OG1-CG 3.26Å; T1384-E1387 WeakPolarHBondContact OG1-CG 3.31Å; T1384-E1387 PolarHBondContact OG1-N 3.1Å; T1384-E1387 PolarHBondContact OG1-OE2 3.46Å; T1384-K1388 WeakPolarHBondContact O-CB 3.38Å; T1384-K1388 VanDerWaalsContact O-CG 3.28Å; T1384-K1388 WeakPolarHBondContact O-CG 3.38Å; T1384-K1388 PolarHBondContact O-N 2.92Å |
| 1385 | P | 82.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | -179.1 | -25.5 | 36.8 | 0 | 0 | 0 | 113.4 | L1320 E1387 K1388 V1389 Y1438 V1439 F1442 Y1443 | L1320-P1385 HydrophobicContact CD1-CG 4.24Å; P1385-E1387 VanDerWaalsContact C-N 3.32Å; P1385-E1387 PolarHBondContact O-N 3.18Å; P1385-K1388 PolarHBondContact O-N 3.49Å; P1385-V1389 WeakPolarHBondContact O-CG2 3.3Å; P1385-V1389 PolarHBondContact O-N 3.11Å; P1385-Y1438 HydrophobicContact CB-CE1 4.41Å; P1385-Y1438 WeakPolarHBondContact CD-OH 3.49Å; P1385-Y1438 HydrophobicContact CG-CD1 4.08Å; P1385-Y1438 HydrophobicContact CG-CE1 3.53Å; P1385-Y1438 HydrophobicContact CG-CE2 4.33Å; P1385-V1439 HydrophobicContact CB-CG2 4.18Å; P1385-F1442 HydrophobicContact CG-CB 4.15Å; P1385-Y1443 HydrophobicContact CB-CD2 4.47Å; P1385-Y1443 HydrophobicContact CB-CG 4.1Å |
| 1386 | R | 84.7 | Confident | 81.9 | Confident | 113 Ų | 113 | 39.9 Ų | 39.9 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -39.4 | -178.5 | -175.6 | 175 | -174.1 | -170.9 | 2.8 | 111.4 | T1384 V1389 N1390 Y1443 | T1384-R1386 PolarHBondContact O-N 3.29Å; R1386-V1389 PolarHBondContact O-N 3.33Å; R1386-N1390 VanDerWaalsContact O-CG 3.24Å; R1386-N1390 PolarHBondContact O-N 3.42Å; R1386-N1390 PolarHBondContact O-OD1 3.18Å; R1386-Y1443 HydrophobicContact CB-CD2 4.32Å; R1386-Y1443 HydrophobicContact CB-CE1 4.41Å; R1386-Y1443 HydrophobicContact CB-CE2 3.82Å; R1386-Y1443 WeakPolarHBondContact CD-OH 3.44Å; R1386-Y1443 HydrophobicContact CG-CE1 4.43Å; R1386-Y1443 HydrophobicContact CG-CE2 4.13Å; R1386-Y1443 WeakPolarHBondContact CG-OH 3.4Å |
| 1387 | E | 82.3 | Confident | 82 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 15% | 0.15 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.6 | -38.7 | 178.1 | -67.6 | 165.4 | 143.1 | 0 | 0 | 112 | R1317 I1382 T1384 P1385 V1389 N1390 C1391 | R1317-E1387 WeakPolarHBondContact CD-OE1 3.39Å; I1382-E1387 HydrophobicContact CB-CB 3.88Å; I1382-E1387 HydrophobicContact CD1-CB 3.85Å; I1382-E1387 HydrophobicContact CG1-CB 4.44Å; I1382-E1387 HydrophobicContact CG2-CB 3.39Å; I1382-E1387 HydrophobicContact CG2-CG 3.98Å; I1382-E1387 VanDerWaalsContact CG2-OE2 3.26Å; I1382-E1387 WeakPolarHBondContact CG2-OE2 3.29Å; T1384-E1387 VanDerWaalsContact CB-OE2 3.23Å; T1384-E1387 WeakPolarHBondContact CB-OE2 3.15Å; T1384-E1387 WeakPolarHBondContact CG2-OE2 3.42Å; T1384-E1387 PolarHBondContact N-OE2 3.34Å; T1384-E1387 PolarHBondContact O-N 3.24Å; T1384-E1387 WeakPolarHBondContact OG1-CB 3.33Å; T1384-E1387 VanDerWaalsContact OG1-CG 3.26Å; T1384-E1387 WeakPolarHBondContact OG1-CG 3.31Å; T1384-E1387 PolarHBondContact OG1-N 3.1Å; T1384-E1387 PolarHBondContact OG1-OE2 3.46Å; P1385-E1387 VanDerWaalsContact C-N 3.32Å; P1385-E1387 PolarHBondContact O-N 3.18Å; E1387-V1389 VanDerWaalsContact C-N 3.29Å; E1387-V1389 PolarHBondContact O-N 3.42Å; E1387-N1390 CarbonylContact O-C 3.59Å; E1387-N1390 WeakPolarHBondContact O-CA 3.46Å; E1387-N1390 WeakPolarHBondContact O-CB 3.47Å; E1387-N1390 PolarHBondContact O-N 2.8Å; E1387-N1390 VanDerWaalsContact O-N 3.1Å; E1387-C1391 PolarHBondContact O-N 2.95Å |
| 1388 | K | 87.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 10% | 0.104 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | 171.6 | -71.5 | 167.8 | -178.3 | -68.4 | 0 | 112.1 | Y1324 I1382 N1383 T1384 P1385 C1391 V1392 T1435 Y1438 V1439 | Y1324-K1388 PolarHBondContact OH-NZ 3.04Å; I1382-K1388 WeakPolarHBondContact O-CE 3.31Å; I1382-K1388 WeakPolarHBondContact O-CG 3.15Å; I1382-K1388 PolarHBondContact O-NZ 3.49Å; N1383-K1388 WeakPolarHBondContact O-CE 3.28Å; T1384-K1388 WeakPolarHBondContact O-CB 3.38Å; T1384-K1388 VanDerWaalsContact O-CG 3.28Å; T1384-K1388 WeakPolarHBondContact O-CG 3.38Å; T1384-K1388 PolarHBondContact O-N 2.92Å; P1385-K1388 PolarHBondContact O-N 3.49Å; K1388-C1391 WeakPolarHBondContact O-CB 3.45Å; K1388-C1391 PolarHBondContact O-N 3.33Å; K1388-V1392 PolarHBondContact O-N 3.06Å; K1388-T1435 HydrophobicContact CD-CG2 4.02Å; K1388-T1435 PolarHBondContact NZ-OG1 2.94Å; K1388-Y1438 HydrophobicContact CD-CD1 4.13Å; K1388-Y1438 HydrophobicContact CD-CE1 4.32Å; K1388-V1439 HydrophobicContact CB-CG2 4.08Å; K1388-V1439 HydrophobicContact CD-CG2 4.26Å |
| 1389 | V | 90.5 | Very high | 82.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 170.7 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | P1385 R1386 E1387 C1391 V1392 R1393 V1439 Y1443 L1447 D1451 W1455 | P1385-V1389 WeakPolarHBondContact O-CG2 3.3Å; P1385-V1389 PolarHBondContact O-N 3.11Å; R1386-V1389 PolarHBondContact O-N 3.33Å; E1387-V1389 VanDerWaalsContact C-N 3.29Å; E1387-V1389 PolarHBondContact O-N 3.42Å; V1389-C1391 VanDerWaalsContact C-N 3.31Å; V1389-C1391 PolarHBondContact O-N 2.99Å; V1389-V1392 WeakPolarHBondContact O-CB 3.36Å; V1389-V1392 PolarHBondContact O-N 2.98Å; V1389-V1392 VanDerWaalsContact O-N 3.13Å; V1389-R1393 PolarHBondContact O-N 2.87Å; V1389-V1439 HydrophobicContact CG2-CG1 3.63Å; V1389-Y1443 HydrophobicContact CG2-CD1 4.3Å; V1389-L1447 HydrophobicContact CG1-CD2 3.94Å; V1389-L1447 HydrophobicContact CG2-CD2 3.88Å; V1389-D1451 HydrophobicContact CG1-CB 3.98Å; V1389-W1455 HydrophobicContact CB-CE3 4.38Å; V1389-W1455 HydrophobicContact CG2-CD2 4.01Å; V1389-W1455 HydrophobicContact CG2-CE3 3.75Å; V1389-W1455 HydrophobicContact CG2-CG 4.44Å; V1389-W1455 HydrophobicContact CG2-CZ3 4.26Å |
| 1390 | N | 87 | Confident | 83.2 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -30.1 | 176.4 | -68.2 | -14.4 | 0 | 0 | 0 | 113.5 | R1386 E1387 R1394 | R1386-N1390 VanDerWaalsContact O-CG 3.24Å; R1386-N1390 PolarHBondContact O-N 3.42Å; R1386-N1390 PolarHBondContact O-OD1 3.18Å; E1387-N1390 CarbonylContact O-C 3.59Å; E1387-N1390 WeakPolarHBondContact O-CA 3.46Å; E1387-N1390 WeakPolarHBondContact O-CB 3.47Å; E1387-N1390 PolarHBondContact O-N 2.8Å; E1387-N1390 VanDerWaalsContact O-N 3.1Å; N1390-R1394 WeakPolarHBondContact O-CB 3.46Å; N1390-R1394 WeakPolarHBondContact O-CG 3.46Å; N1390-R1394 PolarHBondContact O-N 3.22Å; N1390-R1394 PolarHBondContact O-NE 2.91Å |
| 1391 | C | 87.5 | Confident | 84.4 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.054 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 168.7 | -78.8 | 0 | 0 | 0 | 0 | 111.7 | E1378 I1382 E1387 K1388 V1389 R1393 R1394 C1395 | E1378-C1391 WeakPolarHBondContact O-CB 3.45Å; E1378-C1391 PolarHBondContact O-SG 3.13Å; I1382-C1391 WeakPolarHBondContact CD1-SG 3.27Å; E1387-C1391 PolarHBondContact O-N 2.95Å; K1388-C1391 WeakPolarHBondContact O-CB 3.45Å; K1388-C1391 PolarHBondContact O-N 3.33Å; V1389-C1391 VanDerWaalsContact C-N 3.31Å; V1389-C1391 PolarHBondContact O-N 2.99Å; C1391-R1393 VanDerWaalsContact C-N 3.33Å; C1391-R1393 PolarHBondContact O-N 3.41Å; C1391-R1394 PolarHBondContact O-N 3.32Å; C1391-R1394 PolarHBondContact SG-NH2 3.46Å; C1391-C1395 VanDerWaalsContact O-CB 3.28Å; C1391-C1395 WeakPolarHBondContact O-CB 3.39Å; C1391-C1395 PolarHBondContact O-N 3.19Å |
| 1392 | V | 91.5 | Very high | 85.9 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | L1379 K1388 V1389 C1395 C1396 W1454 W1455 F1458 | L1379-V1392 HydrophobicContact CD2-CG2 4.16Å; K1388-V1392 PolarHBondContact O-N 3.06Å; V1389-V1392 WeakPolarHBondContact O-CB 3.36Å; V1389-V1392 PolarHBondContact O-N 2.98Å; V1389-V1392 VanDerWaalsContact O-N 3.13Å; V1392-C1395 PolarHBondContact O-N 3.42Å; V1392-C1396 WeakPolarHBondContact O-CB 3.25Å; V1392-C1396 PolarHBondContact O-N 3.18Å; V1392-C1396 PolarHBondContact O-SG 3.14Å; V1392-W1454 HydrophobicContact CG1-CB 4.2Å; V1392-W1454 WeakPolarHBondContact CG1-O 3.26Å; V1392-W1455 HydrophobicContact CB-CE3 4.24Å; V1392-W1455 HydrophobicContact CB-CZ3 4.44Å; V1392-W1455 HydrophobicContact CG1-CE3 4.44Å; V1392-W1455 HydrophobicContact CG2-CE3 3.94Å; V1392-W1455 HydrophobicContact CG2-CZ3 3.7Å; V1392-F1458 HydrophobicContact CB-CB 4.47Å; V1392-F1458 HydrophobicContact CB-CG 4.45Å; V1392-F1458 HydrophobicContact CG1-CB 3.52Å; V1392-F1458 HydrophobicContact CG1-CD2 4.26Å; V1392-F1458 HydrophobicContact CG1-CG 3.99Å; V1392-F1458 HydrophobicContact CG2-CB 4.07Å; V1392-F1458 HydrophobicContact CG2-CD1 3.82Å; V1392-F1458 HydrophobicContact CG2-CD2 3.57Å; V1392-F1458 HydrophobicContact CG2-CE1 4.07Å; V1392-F1458 HydrophobicContact CG2-CE2 3.82Å; V1392-F1458 HydrophobicContact CG2-CG 3.56Å; V1392-F1458 HydrophobicContact CG2-CZ 4.06Å |
| 1393 | R | 91.5 | Very high | 87.3 | Confident | 64 Ų | 64 | 35.5 Ų | 35.5 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57 | -53 | 175.6 | -159.8 | -177.4 | 76.5 | 74.8 | 28.8 | 111.3 | V1389 C1391 C1395 C1396 E1397 D1451 | V1389-R1393 PolarHBondContact O-N 2.87Å; C1391-R1393 VanDerWaalsContact C-N 3.33Å; C1391-R1393 PolarHBondContact O-N 3.41Å; R1393-C1395 PolarHBondContact O-N 2.83Å; R1393-C1396 WeakPolarHBondContact O-CB 3.49Å; R1393-C1396 PolarHBondContact O-N 3.34Å; R1393-E1397 VanDerWaalsContact CZ-CD 3.47Å; R1393-E1397 IonicContact CZ-OE1 3.74Å; R1393-E1397 IonicContact CZ-OE2 3.33Å; R1393-E1397 VanDerWaalsContact CZ-OE2 3.23Å; R1393-E1397 IonicContact NE-OE2 3.45Å; R1393-E1397 VanDerWaalsContact NH1-CD 3.35Å; R1393-E1397 IonicContact NH1-OE1 3.31Å; R1393-E1397 PolarHBondContact NH1-OE1 3.3Å; R1393-E1397 IonicContact NH1-OE2 3.57Å; R1393-E1397 IonicContact NH2-OE1 2.72Å; R1393-E1397 PolarHBondContact NH2-OE1 2.94Å; R1393-E1397 IonicContact NH2-OE2 3.63Å; R1393-E1397 PolarHBondContact NH2-OE2 3.1Å; R1393-E1397 WeakPolarHBondContact O-CG 3.46Å; R1393-E1397 PolarHBondContact O-N 2.87Å; R1393-D1451 WeakPolarHBondContact CD-OD1 3.16Å |
| 1394 | R | 89.3 | Confident | 88.4 | Confident | 87 Ų | 87 | 35.8 Ų | 35.8 | 33% | 0.328 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 179.1 | -72.1 | 179.7 | -67.8 | 147.1 | -3.3 | 113.9 | E1378 N1390 C1391 E1397 T1398 | E1378-R1394 HydrophobicContact CB-CB 4.43Å; E1378-R1394 HydrophobicContact CG-CB 4.08Å; E1378-R1394 IonicContact OE1-NH1 3.89Å; E1378-R1394 WeakPolarHBondContact OE2-CB 3.49Å; E1378-R1394 WeakPolarHBondContact OE2-CD 3.48Å; E1378-R1394 IonicContact OE2-CZ 3.45Å; E1378-R1394 IonicContact OE2-NE 2.69Å; E1378-R1394 PolarHBondContact OE2-NE 3.09Å; E1378-R1394 IonicContact OE2-NH1 2.71Å; E1378-R1394 PolarHBondContact OE2-NH1 2.92Å; E1378-R1394 IonicContact OE2-NH2 3.7Å; N1390-R1394 WeakPolarHBondContact O-CB 3.46Å; N1390-R1394 WeakPolarHBondContact O-CG 3.46Å; N1390-R1394 PolarHBondContact O-N 3.22Å; N1390-R1394 PolarHBondContact O-NE 2.91Å; C1391-R1394 PolarHBondContact O-N 3.32Å; C1391-R1394 PolarHBondContact SG-NH2 3.46Å; R1394-E1397 VanDerWaalsContact CA-OE2 3.23Å; R1394-E1397 WeakPolarHBondContact CA-OE2 3.16Å; R1394-E1397 PolarHBondContact N-OE2 3.06Å; R1394-E1397 PolarHBondContact O-N 3.41Å; R1394-T1398 VanDerWaalsContact O-CB 3.31Å; R1394-T1398 WeakPolarHBondContact O-CB 3.4Å; R1394-T1398 PolarHBondContact O-N 3.11Å; R1394-T1398 PolarHBondContact O-OG1 2.88Å |
| 1395 | C | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | A1375 E1378 L1379 C1391 V1392 R1393 T1398 V1399 | A1375-C1395 PolarHBondContact O-SG 3.36Å; A1375-C1395 VanDerWaalsContact O-SG 3.38Å; E1378-C1395 HydrophobicContact CB-CB 4.02Å; L1379-C1395 HydrophobicContact CD2-CB 3.94Å; L1379-C1395 HydrophobicContact CG-CB 4.11Å; C1391-C1395 VanDerWaalsContact O-CB 3.28Å; C1391-C1395 WeakPolarHBondContact O-CB 3.39Å; C1391-C1395 PolarHBondContact O-N 3.19Å; V1392-C1395 PolarHBondContact O-N 3.42Å; R1393-C1395 PolarHBondContact O-N 2.83Å; C1395-T1398 PolarHBondContact O-N 3.38Å; C1395-V1399 WeakPolarHBondContact O-CG2 3.34Å; C1395-V1399 PolarHBondContact O-N 2.81Å |
| 1396 | C | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.8 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | V1392 R1393 T1398 V1399 L1400 W1454 | V1392-C1396 WeakPolarHBondContact O-CB 3.25Å; V1392-C1396 PolarHBondContact O-N 3.18Å; V1392-C1396 PolarHBondContact O-SG 3.14Å; R1393-C1396 WeakPolarHBondContact O-CB 3.49Å; R1393-C1396 PolarHBondContact O-N 3.34Å; C1396-T1398 VanDerWaalsContact C-N 3.33Å; C1396-T1398 PolarHBondContact O-N 3.38Å; C1396-V1399 PolarHBondContact O-N 2.95Å; C1396-L1400 WeakPolarHBondContact O-CB 3.49Å; C1396-L1400 PolarHBondContact O-N 3.1Å; C1396-W1454 HydrophobicContact CB-CD2 3.58Å; C1396-W1454 HydrophobicContact CB-CE3 3.39Å; C1396-W1454 HydrophobicContact CB-CG 4.17Å; C1396-W1454 HydrophobicContact CB-CH2 4.18Å; C1396-W1454 HydrophobicContact CB-CZ2 4.35Å; C1396-W1454 HydrophobicContact CB-CZ3 3.71Å; C1396-W1454 VanDerWaalsContact SG-CE3 3.53Å |
| 1397 | E | 92.5 | Very high | 88.1 | Confident | 68 Ų | 68 | 37.7 Ų | 37.7 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 173 | -72.1 | 167.4 | 123.1 | 0 | 0 | 111.2 | R1393 R1394 L1400 H1401 | R1393-E1397 VanDerWaalsContact CZ-CD 3.47Å; R1393-E1397 IonicContact CZ-OE1 3.74Å; R1393-E1397 IonicContact CZ-OE2 3.33Å; R1393-E1397 VanDerWaalsContact CZ-OE2 3.23Å; R1393-E1397 IonicContact NE-OE2 3.45Å; R1393-E1397 VanDerWaalsContact NH1-CD 3.35Å; R1393-E1397 IonicContact NH1-OE1 3.31Å; R1393-E1397 PolarHBondContact NH1-OE1 3.3Å; R1393-E1397 IonicContact NH1-OE2 3.57Å; R1393-E1397 IonicContact NH2-OE1 2.72Å; R1393-E1397 PolarHBondContact NH2-OE1 2.94Å; R1393-E1397 IonicContact NH2-OE2 3.63Å; R1393-E1397 PolarHBondContact NH2-OE2 3.1Å; R1393-E1397 WeakPolarHBondContact O-CG 3.46Å; R1393-E1397 PolarHBondContact O-N 2.87Å; R1394-E1397 VanDerWaalsContact CA-OE2 3.23Å; R1394-E1397 WeakPolarHBondContact CA-OE2 3.16Å; R1394-E1397 PolarHBondContact N-OE2 3.06Å; R1394-E1397 PolarHBondContact O-N 3.41Å; E1397-L1400 WeakPolarHBondContact O-CB 3.33Å; E1397-L1400 PolarHBondContact O-N 3.22Å; E1397-H1401 WeakPolarHBondContact O-CB 3.39Å; E1397-H1401 PolarHBondContact O-N 2.85Å |
| 1398 | T | 91.6 | Very high | 87.3 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | A1375 R1394 C1395 C1396 H1401 L1402 | A1375-T1398 HydrophobicContact CB-CG2 4.05Å; R1394-T1398 VanDerWaalsContact O-CB 3.31Å; R1394-T1398 WeakPolarHBondContact O-CB 3.4Å; R1394-T1398 PolarHBondContact O-N 3.11Å; R1394-T1398 PolarHBondContact O-OG1 2.88Å; C1395-T1398 PolarHBondContact O-N 3.38Å; C1396-T1398 VanDerWaalsContact C-N 3.33Å; C1396-T1398 PolarHBondContact O-N 3.38Å; T1398-H1401 PolarHBondContact O-N 2.85Å; T1398-L1402 HydrophobicContact CG2-CD1 4.07Å; T1398-L1402 WeakPolarHBondContact O-CG 3.49Å; T1398-L1402 PolarHBondContact O-N 3.2Å |
| 1399 | V | 91.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 173 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | A1375 C1395 C1396 H1401 L1402 L1403 I1416 V1419 V1423 | A1375-V1399 HydrophobicContact CB-CG2 3.71Å; C1395-V1399 WeakPolarHBondContact O-CG2 3.34Å; C1395-V1399 PolarHBondContact O-N 2.81Å; C1396-V1399 PolarHBondContact O-N 2.95Å; V1399-H1401 VanDerWaalsContact C-N 3.29Å; V1399-H1401 PolarHBondContact O-N 2.97Å; V1399-L1402 PolarHBondContact O-N 2.69Å; V1399-L1403 HydrophobicContact CG1-CD1 3.58Å; V1399-L1403 HydrophobicContact CG1-CG 4.1Å; V1399-L1403 WeakPolarHBondContact O-CB 3.43Å; V1399-L1403 WeakPolarHBondContact O-CG 3.47Å; V1399-L1403 PolarHBondContact O-N 3.38Å; V1399-I1416 HydrophobicContact CG1-CG2 4.08Å; V1399-V1419 HydrophobicContact CG1-CB 4.02Å; V1399-V1419 HydrophobicContact CG1-CG1 3.69Å; V1399-V1419 HydrophobicContact CG2-CG1 4.06Å; V1399-V1423 HydrophobicContact CG2-CG2 4.49Å |
| 1400 | L | 91.1 | Very high | 86.1 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.5 | -46.4 | 177.9 | -167.7 | 84 | 0 | 0 | 0 | 111.3 | C1396 E1397 S1404 P1411 I1416 | C1396-L1400 WeakPolarHBondContact O-CB 3.49Å; C1396-L1400 PolarHBondContact O-N 3.1Å; E1397-L1400 WeakPolarHBondContact O-CB 3.33Å; E1397-L1400 PolarHBondContact O-N 3.22Å; L1400-S1404 WeakPolarHBondContact O-CB 3.47Å; L1400-S1404 PolarHBondContact O-N 3.01Å; L1400-S1404 PolarHBondContact O-OG 3.2Å; L1400-P1411 HydrophobicContact CD1-CG 3.82Å; L1400-P1411 HydrophobicContact CG-CG 4.24Å; L1400-I1416 HydrophobicContact CD1-CD1 3.59Å; L1400-I1416 HydrophobicContact CD1-CG1 4.36Å |
| 1401 | H | 89.3 | Confident | 85.9 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -51.5 | 179.7 | -174.5 | 60.9 | 0 | 0 | 0 | 112.3 | E1397 T1398 V1399 L1403 S1404 I1405 | E1397-H1401 WeakPolarHBondContact O-CB 3.39Å; E1397-H1401 PolarHBondContact O-N 2.85Å; T1398-H1401 PolarHBondContact O-N 2.85Å; V1399-H1401 VanDerWaalsContact C-N 3.29Å; V1399-H1401 PolarHBondContact O-N 2.97Å; H1401-L1403 VanDerWaalsContact C-N 3.32Å; H1401-L1403 PolarHBondContact O-N 2.93Å; H1401-S1404 PolarHBondContact O-N 3.36Å; H1401-S1404 PolarHBondContact O-OG 3.42Å; H1401-I1405 PolarHBondContact O-N 3.44Å; H1401-I1405 VanDerWaalsContact O-N 3.11Å |
| 1402 | L | 90 | Very high | 85.8 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 179.8 | -66.1 | 171.8 | 0 | 0 | 0 | 112.4 | E1369 W1372 T1398 V1399 I1405 S1406 | E1369-L1402 HydrophobicContact CG-CB 4.46Å; W1372-L1402 HydrophobicContact CB-CD1 4.41Å; T1398-L1402 HydrophobicContact CG2-CD1 4.07Å; T1398-L1402 WeakPolarHBondContact O-CG 3.49Å; T1398-L1402 PolarHBondContact O-N 3.2Å; V1399-L1402 PolarHBondContact O-N 2.69Å; L1402-I1405 PolarHBondContact O-N 2.9Å; L1402-S1406 WeakPolarHBondContact O-CB 3.22Å; L1402-S1406 PolarHBondContact O-N 2.99Å; L1402-S1406 VanDerWaalsContact O-N 3.14Å; L1402-S1406 PolarHBondContact O-OG 3.26Å |
| 1403 | L | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.1 | -33.9 | 174 | -62.4 | 177.3 | 0 | 0 | 0 | 112.4 | Y1366 V1399 H1401 I1405 S1406 G1407 P1411 I1416 V1419 | Y1366-L1403 HydrophobicContact CD1-CB 4.29Å; Y1366-L1403 HydrophobicContact CD1-CD2 3.31Å; Y1366-L1403 HydrophobicContact CD1-CG 4.37Å; Y1366-L1403 HydrophobicContact CD2-CD2 3.91Å; Y1366-L1403 HydrophobicContact CE1-CB 3.97Å; Y1366-L1403 HydrophobicContact CE1-CD2 3.78Å; Y1366-L1403 HydrophobicContact CE1-CG 4.43Å; Y1366-L1403 HydrophobicContact CE2-CD2 4.33Å; Y1366-L1403 HydrophobicContact CG-CD2 3.37Å; V1399-L1403 HydrophobicContact CG1-CD1 3.58Å; V1399-L1403 HydrophobicContact CG1-CG 4.1Å; V1399-L1403 WeakPolarHBondContact O-CB 3.43Å; V1399-L1403 WeakPolarHBondContact O-CG 3.47Å; V1399-L1403 PolarHBondContact O-N 3.38Å; H1401-L1403 VanDerWaalsContact C-N 3.32Å; H1401-L1403 PolarHBondContact O-N 2.93Å; L1403-I1405 VanDerWaalsContact C-N 3.33Å; L1403-S1406 PolarHBondContact O-N 2.82Å; L1403-G1407 PolarHBondContact O-N 3.4Å; L1403-P1411 HydrophobicContact CB-CB 3.82Å; L1403-P1411 HydrophobicContact CB-CG 3.94Å; L1403-P1411 HydrophobicContact CD1-CB 4.22Å; L1403-I1416 HydrophobicContact CD1-CG1 4.16Å; L1403-V1419 HydrophobicContact CD1-CG2 4.3Å; L1403-V1419 HydrophobicContact CD2-CG2 4.07Å |
| 1404 | S | 88.1 | Confident | 85.1 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.3 | -25.2 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 114 | L1400 H1401 | L1400-S1404 WeakPolarHBondContact O-CB 3.47Å; L1400-S1404 PolarHBondContact O-N 3.01Å; L1400-S1404 PolarHBondContact O-OG 3.2Å; H1401-S1404 PolarHBondContact O-N 3.36Å; H1401-S1404 PolarHBondContact O-OG 3.42Å |
| 1405 | I | 84.3 | Confident | 85.1 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -80 | -35.6 | 171.6 | -65 | 166.3 | 0 | 0 | 0 | 110.7 | H1401 L1402 L1403 G1407 | H1401-I1405 PolarHBondContact O-N 3.44Å; H1401-I1405 VanDerWaalsContact O-N 3.11Å; L1402-I1405 PolarHBondContact O-N 2.9Å; L1403-I1405 VanDerWaalsContact C-N 3.33Å; I1405-G1407 PolarHBondContact O-N 3.19Å |
| 1406 | S | 79.9 | Confident | 85 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.6 | -18 | -177.6 | -60.7 | 0 | 0 | 0 | 0 | 115.1 | E1369 L1402 L1403 | E1369-S1406 VanDerWaalsContact CG-OG 3.23Å; E1369-S1406 WeakPolarHBondContact CG-OG 3.4Å; L1402-S1406 WeakPolarHBondContact O-CB 3.22Å; L1402-S1406 PolarHBondContact O-N 2.99Å; L1402-S1406 VanDerWaalsContact O-N 3.14Å; L1402-S1406 PolarHBondContact O-OG 3.26Å; L1403-S1406 PolarHBondContact O-N 2.82Å |
| 1407 | G | 70.1 | Confident | 85 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -138.9 | 149.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1403 I1405 N1409 | L1403-G1407 PolarHBondContact O-N 3.4Å; I1405-G1407 PolarHBondContact O-N 3.19Å; G1407-N1409 PolarHBondContact O-N 3.5Å |
| 1408 | S | 64.1 | Low | 85 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 83% | 0.825 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -69.7 | -7 | 178 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1409 | N | 73.3 | Confident | 85.1 | Confident | 110 Ų | 110 | 53.7 Ų | 53.7 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -124.3 | 143.8 | -168.3 | -59.6 | -2.2 | 0 | 0 | 0 | 109.3 | G1407 P1411 | G1407-N1409 PolarHBondContact O-N 3.5Å; N1409-P1411 WeakPolarHBondContact O-CD 3.44Å |
| 1410 | V | 80 | Confident | 85.2 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 82% | 0.824 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 121.8 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1411 | P | 82.6 | Confident | 85.3 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 136.4 | -174.8 | 24.9 | -33.7 | 0 | 0 | 0 | 111.9 | L1400 L1403 N1409 D1415 | L1400-P1411 HydrophobicContact CD1-CG 3.82Å; L1400-P1411 HydrophobicContact CG-CG 4.24Å; L1403-P1411 HydrophobicContact CB-CB 3.82Å; L1403-P1411 HydrophobicContact CB-CG 3.94Å; L1403-P1411 HydrophobicContact CD1-CB 4.22Å; N1409-P1411 WeakPolarHBondContact O-CD 3.44Å; P1411-D1415 HydrophobicContact CB-CB 4.33Å |
| 1412 | S | 85.1 | Confident | 85.6 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 172.2 | -177.9 | 77.9 | 0 | 0 | 0 | 0 | 112.6 | D1414 D1415 I1416 | S1412-D1414 PolarHBondContact O-N 2.89Å; S1412-D1414 PolarHBondContact OG-N 3.45Å; S1412-D1415 WeakPolarHBondContact CA-OD2 3.39Å; S1412-D1415 VanDerWaalsContact CB-OD2 3.28Å; S1412-D1415 WeakPolarHBondContact CB-OD2 3.31Å; S1412-D1415 PolarHBondContact N-OD2 3.18Å; S1412-D1415 PolarHBondContact O-N 2.93Å; S1412-D1415 PolarHBondContact OG-OD2 2.69Å; S1412-I1416 WeakPolarHBondContact O-CD1 3.25Å; S1412-I1416 VanDerWaalsContact O-CG1 3.27Å; S1412-I1416 WeakPolarHBondContact O-CG1 3.22Å; S1412-I1416 PolarHBondContact O-N 2.7Å |
| 1413 | A | 84.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.4 | -32.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1415 M1417 | A1413-D1415 VanDerWaalsContact C-N 3.32Å; A1413-M1417 WeakPolarHBondContact O-CB 3.41Å; A1413-M1417 PolarHBondContact O-N 3.44Å |
| 1414 | D | 84.9 | Confident | 85.9 | Confident | 141 Ų | 141 | 44.6 Ų | 44.6 | 75% | 0.754 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -74.9 | -20.8 | 177.5 | -67.4 | -43.1 | 0 | 0 | 0 | 112.7 | S1412 P1418 | S1412-D1414 PolarHBondContact O-N 2.89Å; S1412-D1414 PolarHBondContact OG-N 3.45Å; D1414-P1418 WeakPolarHBondContact O-CD 3.22Å; D1414-P1418 WeakPolarHBondContact O-CG 3.08Å |
| 1415 | D | 88.7 | Confident | 86.1 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -84.9 | -40.6 | 172.7 | -56.7 | -70.5 | 0 | 0 | 0 | 111.5 | Y1366 P1411 S1412 A1413 | Y1366-D1415 HydrophobicContact CE2-CB 3.96Å; P1411-D1415 HydrophobicContact CB-CB 4.33Å; S1412-D1415 WeakPolarHBondContact CA-OD2 3.39Å; S1412-D1415 VanDerWaalsContact CB-OD2 3.28Å; S1412-D1415 WeakPolarHBondContact CB-OD2 3.31Å; S1412-D1415 PolarHBondContact N-OD2 3.18Å; S1412-D1415 PolarHBondContact O-N 2.93Å; S1412-D1415 PolarHBondContact OG-OD2 2.69Å; A1413-D1415 VanDerWaalsContact C-N 3.32Å |
| 1416 | I | 91.3 | Very high | 86.5 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.3 | -43.3 | -177.2 | -61.4 | 158.6 | 0 | 0 | 0 | 111.5 | V1399 L1400 L1403 S1412 V1419 L1420 W1454 | V1399-I1416 HydrophobicContact CG1-CG2 4.08Å; L1400-I1416 HydrophobicContact CD1-CD1 3.59Å; L1400-I1416 HydrophobicContact CD1-CG1 4.36Å; L1403-I1416 HydrophobicContact CD1-CG1 4.16Å; S1412-I1416 WeakPolarHBondContact O-CD1 3.25Å; S1412-I1416 VanDerWaalsContact O-CG1 3.27Å; S1412-I1416 WeakPolarHBondContact O-CG1 3.22Å; S1412-I1416 PolarHBondContact O-N 2.7Å; I1416-V1419 PolarHBondContact O-N 2.94Å; I1416-V1419 VanDerWaalsContact O-N 3.12Å; I1416-L1420 WeakPolarHBondContact O-CB 3.24Å; I1416-L1420 PolarHBondContact O-N 3.35Å; I1416-W1454 HydrophobicContact CD1-CH2 4.18Å; I1416-W1454 HydrophobicContact CD1-CZ3 4.33Å; I1416-W1454 HydrophobicContact CG2-CZ3 4.34Å |
| 1417 | M | 92.1 | Very high | 87 | Confident | 42 Ų | 42 | 40 Ų | 40 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | -173.5 | 177.2 | 62.8 | 64.1 | 0 | 0 | 113.8 | A1413 V1419 L1420 V1421 Q1457 A1461 | A1413-M1417 WeakPolarHBondContact O-CB 3.41Å; A1413-M1417 PolarHBondContact O-N 3.44Å; M1417-V1419 VanDerWaalsContact C-N 3.27Å; M1417-V1419 PolarHBondContact O-N 3.34Å; M1417-L1420 PolarHBondContact O-N 2.85Å; M1417-V1421 WeakPolarHBondContact O-CG2 3.47Å; M1417-V1421 PolarHBondContact O-N 3.17Å; M1417-V1421 HydrophobicContact SD-CG2 4.15Å; M1417-Q1457 HydrophobicContact CE-CB 3.91Å; M1417-Q1457 HydrophobicContact CE-CG 4.36Å; M1417-Q1457 WeakPolarHBondContact CE-O 3.18Å; M1417-A1461 HydrophobicContact SD-CB 4.01Å |
| 1418 | P | 92.5 | Very high | 88.1 | Confident | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.3 | -40 | 172.2 | -31.2 | 38.9 | 0 | 0 | 0 | 114.4 | I1360 I1362 D1414 F1422 | I1360-P1418 HydrophobicContact CG2-CB 4.23Å; I1360-P1418 WeakPolarHBondContact CG2-O 3.39Å; I1360-P1418 WeakPolarHBondContact O-CB 3.33Å; I1362-P1418 HydrophobicContact CG1-CB 3.86Å; D1414-P1418 WeakPolarHBondContact O-CD 3.22Å; D1414-P1418 WeakPolarHBondContact O-CG 3.08Å; P1418-F1422 PolarHBondContact O-N 3.32Å; P1418-F1422 VanDerWaalsContact O-N 3.14Å |
| 1419 | V | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.7 | -42.2 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | I1362 W1372 V1399 L1403 I1416 M1417 V1421 F1422 V1423 | I1362-V1419 HydrophobicContact CD1-CG2 4.49Å; I1362-V1419 HydrophobicContact CG2-CG2 3.88Å; W1372-V1419 HydrophobicContact CD2-CG1 3.6Å; W1372-V1419 HydrophobicContact CE3-CG1 3.81Å; W1372-V1419 HydrophobicContact CG-CG1 4.15Å; W1372-V1419 HydrophobicContact CH2-CG1 4.13Å; W1372-V1419 HydrophobicContact CH2-CG2 4.1Å; W1372-V1419 HydrophobicContact CZ2-CG1 3.9Å; W1372-V1419 HydrophobicContact CZ2-CG2 3.95Å; W1372-V1419 HydrophobicContact CZ3-CG1 4.06Å; V1399-V1419 HydrophobicContact CG1-CB 4.02Å; V1399-V1419 HydrophobicContact CG1-CG1 3.69Å; V1399-V1419 HydrophobicContact CG2-CG1 4.06Å; L1403-V1419 HydrophobicContact CD1-CG2 4.3Å; L1403-V1419 HydrophobicContact CD2-CG2 4.07Å; I1416-V1419 PolarHBondContact O-N 2.94Å; I1416-V1419 VanDerWaalsContact O-N 3.12Å; M1417-V1419 VanDerWaalsContact C-N 3.27Å; M1417-V1419 PolarHBondContact O-N 3.34Å; V1419-V1421 PolarHBondContact O-N 3.42Å; V1419-F1422 PolarHBondContact O-N 3.22Å; V1419-V1423 HydrophobicContact CG1-CG2 4.31Å; V1419-V1423 WeakPolarHBondContact O-CB 3.36Å; V1419-V1423 WeakPolarHBondContact O-CG2 3.25Å; V1419-V1423 PolarHBondContact O-N 3.31Å |
| 1420 | L | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 174.3 | -177.7 | 62 | 0 | 0 | 0 | 111.8 | I1416 M1417 F1422 V1423 V1424 Q1457 A1461 | I1416-L1420 WeakPolarHBondContact O-CB 3.24Å; I1416-L1420 PolarHBondContact O-N 3.35Å; M1417-L1420 PolarHBondContact O-N 2.85Å; L1420-F1422 PolarHBondContact O-N 3.37Å; L1420-V1423 PolarHBondContact O-N 3.42Å; L1420-V1424 HydrophobicContact CD1-CG2 4.23Å; L1420-V1424 VanDerWaalsContact O-CG2 3.3Å; L1420-V1424 WeakPolarHBondContact O-CG2 3.23Å; L1420-V1424 PolarHBondContact O-N 3Å; L1420-Q1457 HydrophobicContact CD2-CB 4.23Å; L1420-A1461 HydrophobicContact CD2-CB 4.29Å; L1420-A1461 HydrophobicContact CG-CB 4.2Å |
| 1421 | V | 94.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.6 | -49 | 172.7 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | I1360 M1417 V1419 V1424 I1425 A1461 F1464 I1465 | I1360-V1421 HydrophobicContact CG2-CG1 4.49Å; M1417-V1421 WeakPolarHBondContact O-CG2 3.47Å; M1417-V1421 PolarHBondContact O-N 3.17Å; M1417-V1421 HydrophobicContact SD-CG2 4.15Å; V1419-V1421 PolarHBondContact O-N 3.42Å; V1421-V1424 PolarHBondContact O-N 3.09Å; V1421-I1425 HydrophobicContact CG1-CD1 3.92Å; V1421-I1425 VanDerWaalsContact O-CG1 3.26Å; V1421-I1425 WeakPolarHBondContact O-CG1 3.39Å; V1421-I1425 PolarHBondContact O-N 3.04Å; V1421-A1461 HydrophobicContact CG2-CB 3.69Å; V1421-F1464 HydrophobicContact CG1-CD1 3.89Å; V1421-F1464 HydrophobicContact CG1-CE1 4.32Å; V1421-F1464 HydrophobicContact CG2-CB 4.38Å; V1421-F1464 HydrophobicContact CG2-CD1 4.05Å; V1421-F1464 HydrophobicContact CG2-CG 4.48Å; V1421-I1465 HydrophobicContact CG1-CG1 4.18Å |
| 1422 | F | 94.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | -180 | -178 | -83.9 | 0 | 0 | 0 | 112.6 | I1353 P1355 I1360 I1362 P1371 W1372 P1418 V1419 L1420 I1425 K1426 | I1353-F1422 HydrophobicContact CG2-CD2 3.66Å; I1353-F1422 HydrophobicContact CG2-CE2 3.77Å; P1355-F1422 HydrophobicContact CG-CE2 3.95Å; P1355-F1422 HydrophobicContact CG-CZ 3.82Å; I1360-F1422 HydrophobicContact CD1-CD2 4.41Å; I1362-F1422 HydrophobicContact CD1-CB 3.84Å; I1362-F1422 HydrophobicContact CD1-CD2 4.23Å; I1362-F1422 HydrophobicContact CD1-CG 4.08Å; P1371-F1422 HydrophobicContact CB-CE1 3.83Å; P1371-F1422 HydrophobicContact CB-CZ 4.43Å; W1372-F1422 AromaticContact CE3-CD1 3.77Å; W1372-F1422 HydrophobicContact CE3-CD1 3.77Å; W1372-F1422 HydrophobicContact CE3-CE1 4.08Å; W1372-F1422 HydrophobicContact CZ3-CB 4.45Å; W1372-F1422 AromaticContact CZ3-CD1 3.45Å; W1372-F1422 HydrophobicContact CZ3-CD1 3.45Å; W1372-F1422 VanDerWaalsContact CZ3-CD1 3.45Å; W1372-F1422 AromaticContact CZ3-CE1 3.79Å; W1372-F1422 HydrophobicContact CZ3-CE1 3.79Å; W1372-F1422 HydrophobicContact CZ3-CG 4.06Å; P1418-F1422 PolarHBondContact O-N 3.32Å; P1418-F1422 VanDerWaalsContact O-N 3.14Å; V1419-F1422 PolarHBondContact O-N 3.22Å; L1420-F1422 PolarHBondContact O-N 3.37Å; F1422-I1425 PolarHBondContact O-N 3.3Å; F1422-K1426 HydrophobicContact CD1-CG 3.93Å; F1422-K1426 HydrophobicContact CE1-CD 4.43Å; F1422-K1426 HydrophobicContact CE1-CG 3.58Å; F1422-K1426 HydrophobicContact CE2-CG 4.45Å; F1422-K1426 HydrophobicContact CZ-CD 4.26Å; F1422-K1426 HydrophobicContact CZ-CG 3.88Å; F1422-K1426 WeakPolarHBondContact O-CG 3.13Å; F1422-K1426 PolarHBondContact O-N 3.22Å |
| 1423 | V | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 176.5 | 166.3 | 0 | 0 | 0 | 0 | 110.7 | W1372 A1375 Q1376 L1379 V1399 V1419 L1420 I1425 K1426 T1427 | W1372-V1423 HydrophobicContact CB-CG2 3.99Å; W1372-V1423 HydrophobicContact CE3-CG2 4.2Å; A1375-V1423 HydrophobicContact CB-CG1 4.2Å; A1375-V1423 HydrophobicContact CB-CG2 4.28Å; Q1376-V1423 HydrophobicContact CG-CG1 4.02Å; L1379-V1423 HydrophobicContact CD1-CG1 4.22Å; V1399-V1423 HydrophobicContact CG2-CG2 4.49Å; V1419-V1423 HydrophobicContact CG1-CG2 4.31Å; V1419-V1423 WeakPolarHBondContact O-CB 3.36Å; V1419-V1423 WeakPolarHBondContact O-CG2 3.25Å; V1419-V1423 PolarHBondContact O-N 3.31Å; L1420-V1423 PolarHBondContact O-N 3.42Å; V1423-I1425 VanDerWaalsContact C-N 3.33Å; V1423-I1425 PolarHBondContact O-N 3.27Å; V1423-K1426 PolarHBondContact O-N 3.18Å; V1423-K1426 VanDerWaalsContact O-N 3.15Å; V1423-T1427 PolarHBondContact O-N 3.17Å; V1423-T1427 PolarHBondContact O-OG1 2.79Å |
| 1424 | V | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | L1379 L1420 V1421 N1428 L1432 F1458 V1462 I1465 | L1379-V1424 HydrophobicContact CD1-CG2 3.91Å; L1420-V1424 HydrophobicContact CD1-CG2 4.23Å; L1420-V1424 VanDerWaalsContact O-CG2 3.3Å; L1420-V1424 WeakPolarHBondContact O-CG2 3.23Å; L1420-V1424 PolarHBondContact O-N 3Å; V1421-V1424 PolarHBondContact O-N 3.09Å; V1424-N1428 WeakPolarHBondContact O-CA 3.46Å; V1424-N1428 PolarHBondContact O-N 2.66Å; V1424-L1432 HydrophobicContact CG1-CD2 3.93Å; V1424-F1458 HydrophobicContact CG2-CD2 4.02Å; V1424-F1458 HydrophobicContact CG2-CE2 3.75Å; V1424-V1462 HydrophobicContact CG1-CG2 4.19Å; V1424-I1465 HydrophobicContact CB-CD1 3.91Å; V1424-I1465 HydrophobicContact CG1-CD1 3.59Å |
| 1425 | I | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 173.5 | -68.4 | 170.9 | 0 | 0 | 0 | 111.7 | I1353 V1421 F1422 V1423 I1465 L1468 | I1353-I1425 HydrophobicContact CD1-CD1 3.61Å; I1353-I1425 HydrophobicContact CD1-CG2 4.25Å; V1421-I1425 HydrophobicContact CG1-CD1 3.92Å; V1421-I1425 VanDerWaalsContact O-CG1 3.26Å; V1421-I1425 WeakPolarHBondContact O-CG1 3.39Å; V1421-I1425 PolarHBondContact O-N 3.04Å; F1422-I1425 PolarHBondContact O-N 3.3Å; V1423-I1425 VanDerWaalsContact C-N 3.33Å; V1423-I1425 PolarHBondContact O-N 3.27Å; I1425-I1465 HydrophobicContact CD1-CD1 4.44Å; I1425-I1465 HydrophobicContact CD1-CG1 3.96Å; I1425-I1465 HydrophobicContact CG1-CD1 3.69Å; I1425-I1465 HydrophobicContact CG1-CG1 3.68Å; I1425-I1465 HydrophobicContact CG1-CG2 4.25Å; I1425-L1468 HydrophobicContact CD1-CD2 4.12Å |
| 1426 | K | 91.9 | Very high | 91.9 | Very high | 70 Ų | 70 | 22.1 Ų | 22.1 | 30% | 0.304 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -78.1 | -31.7 | -178 | -66.7 | -61.3 | -179 | 179.5 | 0 | 113.6 | S1350 I1353 F1422 V1423 | S1350-K1426 PolarHBondContact O-NZ 3.49Å; I1353-K1426 WeakPolarHBondContact O-CE 3.45Å; I1353-K1426 PolarHBondContact O-NZ 3.42Å; F1422-K1426 HydrophobicContact CD1-CG 3.93Å; F1422-K1426 HydrophobicContact CE1-CD 4.43Å; F1422-K1426 HydrophobicContact CE1-CG 3.58Å; F1422-K1426 HydrophobicContact CE2-CG 4.45Å; F1422-K1426 HydrophobicContact CZ-CD 4.26Å; F1422-K1426 HydrophobicContact CZ-CG 3.88Å; F1422-K1426 WeakPolarHBondContact O-CG 3.13Å; F1422-K1426 PolarHBondContact O-N 3.22Å; V1423-K1426 PolarHBondContact O-N 3.18Å; V1423-K1426 VanDerWaalsContact O-N 3.15Å |
| 1427 | T | 91.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 24.1 Ų | 24.1 | 22% | 0.215 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.7 | -33.6 | 170.1 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | Q1376 L1379 V1423 P1429 | Q1376-T1427 VanDerWaalsContact CA-OG1 3.27Å; Q1376-T1427 WeakPolarHBondContact CA-OG1 3.47Å; Q1376-T1427 VanDerWaalsContact CB-OG1 3.26Å; Q1376-T1427 WeakPolarHBondContact CB-OG1 3.17Å; Q1376-T1427 WeakPolarHBondContact CG-OG1 3.23Å; Q1376-T1427 PolarHBondContact O-OG1 2.7Å; L1379-T1427 HydrophobicContact CB-CG2 4.15Å; V1423-T1427 PolarHBondContact O-N 3.17Å; V1423-T1427 PolarHBondContact O-OG1 2.79Å; T1427-P1429 HydrophobicContact CG2-CG 3.99Å |
| 1428 | N | 91.7 | Very high | 91.9 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 9% | 0.086 | 11% | 0.114 | C | C | . | . | trans | 41.1 | 60.6 | -172.1 | -168.1 | 11.1 | 0 | 0 | 0 | 114.2 | H1343 V1346 E1347 V1424 E1430 | H1343-N1428 PolarHBondContact CE1-ND2 2.93Å; H1343-N1428 VanDerWaalsContact CE1-ND2 3.35Å; H1343-N1428 PolarHBondContact CE1-O 3.03Å; H1343-N1428 VanDerWaalsContact ND1-CG 3.28Å; H1343-N1428 PolarHBondContact ND1-ND2 3.03Å; H1343-N1428 PolarHBondContact ND1-O 2.77Å; H1343-N1428 PolarHBondContact ND1-OD1 3.47Å; H1343-N1428 VanDerWaalsContact ND1-OD1 3.1Å; H1343-N1428 PolarHBondContact O-ND2 2.66Å; V1346-N1428 WeakPolarHBondContact CB-OD1 3.45Å; V1346-N1428 HydrophobicContact CG1-CB 4.01Å; V1346-N1428 WeakPolarHBondContact CG1-OD1 3.24Å; E1347-N1428 PolarHBondContact N-ND2 3.24Å; V1424-N1428 WeakPolarHBondContact O-CA 3.46Å; V1424-N1428 PolarHBondContact O-N 2.66Å; N1428-E1430 PolarHBondContact O-N 2.82Å | ||
| 1429 | P | 88.7 | Confident | 91.9 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 16% | 0.156 | 11% | 0.108 | C | C | . | . | trans | -56.4 | 137 | -172.9 | -23.6 | 33.3 | 0 | 0 | 0 | 113.5 | L1379 T1427 | L1379-P1429 HydrophobicContact CB-CG 4.38Å; T1427-P1429 HydrophobicContact CG2-CG 3.99Å | ||
| 1430 | E | 85.2 | Confident | 91.8 | Very high | 162 Ų | 162 | 24.8 Ų | 24.8 | 76% | 0.757 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 145.6 | 174.9 | -71.2 | -166.5 | -178.7 | 0 | 0 | 112.1 | N1428 L1432 | N1428-E1430 PolarHBondContact O-N 2.82Å; E1430-L1432 PolarHBondContact O-N 2.98Å |
| 1431 | A | 88.3 | Confident | 91.6 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1328 Y1329 D1339 L1433 S1434 T1435 | L1328-A1431 HydrophobicContact CD2-CB 4.28Å; Y1329-A1431 HydrophobicContact CE1-CB 4.16Å; Y1329-A1431 WeakPolarHBondContact OH-CB 3.43Å; D1339-A1431 VanDerWaalsContact OD1-CA 3.27Å; D1339-A1431 WeakPolarHBondContact OD1-CA 3.34Å; A1431-L1433 PolarHBondContact O-N 3.24Å; A1431-S1434 PolarHBondContact O-N 3.04Å; A1431-T1435 WeakPolarHBondContact O-CB 3.45Å; A1431-T1435 PolarHBondContact O-N 3.28Å; A1431-T1435 PolarHBondContact O-OG1 3.4Å; A1431-T1435 VanDerWaalsContact O-OG1 3.12Å |
| 1432 | L | 91.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | -173.6 | -176.6 | 52.8 | 0 | 0 | 0 | 113.8 | D1339 F1342 V1424 E1430 I1436 F1458 V1462 | D1339-L1432 PolarHBondContact OD1-N 3.46Å; F1342-L1432 HydrophobicContact CE1-CD2 4.07Å; V1424-L1432 HydrophobicContact CG1-CD2 3.93Å; E1430-L1432 PolarHBondContact O-N 2.98Å; L1432-I1436 WeakPolarHBondContact O-CG1 3.46Å; L1432-I1436 PolarHBondContact O-N 3.1Å; L1432-I1436 VanDerWaalsContact O-N 3.12Å; L1432-F1458 HydrophobicContact CD1-CE1 4Å; L1432-F1458 HydrophobicContact CD1-CZ 3.54Å; L1432-V1462 HydrophobicContact CD1-CG2 4.04Å; L1432-V1462 HydrophobicContact CD2-CG1 4.25Å; L1432-V1462 HydrophobicContact CD2-CG2 3.94Å; L1432-V1462 HydrophobicContact CG-CG1 4.21Å; L1432-V1462 HydrophobicContact CG-CG2 4.1Å |
| 1433 | L | 92.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76.1 | -41.9 | 179 | -53.9 | -178.8 | 0 | 0 | 0 | 110.8 | R1338 D1339 F1342 A1431 T1435 I1436 Q1437 V1462 | R1338-L1433 HydrophobicContact CG-CD1 4.11Å; D1339-L1433 WeakPolarHBondContact OD1-CA 3.09Å; D1339-L1433 WeakPolarHBondContact OD1-CB 3.48Å; D1339-L1433 PolarHBondContact OD1-N 2.83Å; F1342-L1433 HydrophobicContact CB-CD1 3.81Å; F1342-L1433 HydrophobicContact CB-CG 4.4Å; F1342-L1433 HydrophobicContact CD1-CD1 3.98Å; F1342-L1433 HydrophobicContact CD1-CD2 3.85Å; F1342-L1433 HydrophobicContact CD1-CG 3.74Å; F1342-L1433 HydrophobicContact CD2-CD1 4.4Å; F1342-L1433 HydrophobicContact CE1-CD2 3.82Å; F1342-L1433 HydrophobicContact CE1-CG 4.24Å; F1342-L1433 HydrophobicContact CG-CD1 3.8Å; F1342-L1433 HydrophobicContact CG-CD2 4.38Å; F1342-L1433 HydrophobicContact CG-CG 4.12Å; F1342-L1433 HydrophobicContact CZ-CD2 4.35Å; A1431-L1433 PolarHBondContact O-N 3.24Å; L1433-T1435 VanDerWaalsContact C-N 3.31Å; L1433-T1435 PolarHBondContact O-N 3.39Å; L1433-I1436 PolarHBondContact O-N 3.28Å; L1433-Q1437 PolarHBondContact O-N 3.2Å; L1433-V1462 HydrophobicContact CD2-CG1 4.05Å |
| 1434 | S | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 170.9 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | L1328 Y1329 R1338 D1339 A1431 I1436 Q1437 Y1438 | L1328-S1434 WeakPolarHBondContact O-CB 3.43Å; Y1329-S1434 WeakPolarHBondContact CD1-OG 3.47Å; Y1329-S1434 WeakPolarHBondContact CE1-OG 3.46Å; R1338-S1434 PolarHBondContact NH2-OG 3.47Å; D1339-S1434 PolarHBondContact OD1-N 3.5Å; D1339-S1434 PolarHBondContact OD2-N 2.97Å; D1339-S1434 PolarHBondContact OD2-OG 3.21Å; A1431-S1434 PolarHBondContact O-N 3.04Å; S1434-I1436 PolarHBondContact O-N 2.93Å; S1434-Q1437 PolarHBondContact O-N 3.39Å; S1434-Y1438 WeakPolarHBondContact O-CB 3.34Å; S1434-Y1438 PolarHBondContact O-N 3.4Å |
| 1435 | T | 91.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 176.1 | -82.3 | 0 | 0 | 0 | 0 | 111.4 | K1388 A1431 L1433 Y1438 V1439 W1455 | K1388-T1435 HydrophobicContact CD-CG2 4.02Å; K1388-T1435 PolarHBondContact NZ-OG1 2.94Å; A1431-T1435 WeakPolarHBondContact O-CB 3.45Å; A1431-T1435 PolarHBondContact O-N 3.28Å; A1431-T1435 PolarHBondContact O-OG1 3.4Å; A1431-T1435 VanDerWaalsContact O-OG1 3.12Å; L1433-T1435 VanDerWaalsContact C-N 3.31Å; L1433-T1435 PolarHBondContact O-N 3.39Å; T1435-Y1438 PolarHBondContact O-N 3.37Å; T1435-V1439 WeakPolarHBondContact O-CG2 3.23Å; T1435-V1439 PolarHBondContact O-N 3.2Å; T1435-W1455 HydrophobicContact CG2-CH2 4.32Å |
| 1436 | I | 92.9 | Very high | 89.9 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 176 | -70.6 | 169.7 | 0 | 0 | 0 | 111.3 | L1432 L1433 S1434 Y1438 N1440 W1455 F1458 V1462 | L1432-I1436 WeakPolarHBondContact O-CG1 3.46Å; L1432-I1436 PolarHBondContact O-N 3.1Å; L1432-I1436 VanDerWaalsContact O-N 3.12Å; L1433-I1436 PolarHBondContact O-N 3.28Å; S1434-I1436 PolarHBondContact O-N 2.93Å; I1436-Y1438 VanDerWaalsContact C-N 3.33Å; I1436-Y1438 PolarHBondContact O-N 2.81Å; I1436-N1440 WeakPolarHBondContact CG2-ND2 3.43Å; I1436-N1440 VanDerWaalsContact O-CB 3.29Å; I1436-N1440 WeakPolarHBondContact O-CB 3.25Å; I1436-N1440 VanDerWaalsContact O-CG 3.22Å; I1436-N1440 PolarHBondContact O-N 2.89Å; I1436-N1440 PolarHBondContact O-ND2 2.87Å; I1436-W1455 HydrophobicContact CG1-CH2 4.45Å; I1436-W1455 HydrophobicContact CG1-CZ2 4.19Å; I1436-F1458 HydrophobicContact CD1-CE1 4.34Å; I1436-F1458 HydrophobicContact CG1-CE1 4.18Å; I1436-V1462 HydrophobicContact CD1-CB 3.77Å; I1436-V1462 HydrophobicContact CD1-CG1 3.74Å; I1436-V1462 HydrophobicContact CD1-CG2 3.92Å |
| 1437 | Q | 91.6 | Very high | 89.7 | Confident | 50 Ų | 50 | 35.8 Ų | 35.8 | 23% | 0.234 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.1 | -177 | 177.1 | -10.2 | 0 | 0 | 112.5 | Q1276 L1433 S1434 G1441 | Q1276-Q1437 PolarHBondContact NE2-O 3.49Å; L1433-Q1437 PolarHBondContact O-N 3.2Å; S1434-Q1437 PolarHBondContact O-N 3.39Å; Q1437-G1441 PolarHBondContact O-N 3.12Å; Q1437-G1441 VanDerWaalsContact O-N 3.13Å |
| 1438 | Y | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -50 | 178.8 | 175.2 | -116.7 | 0 | 0 | 0 | 111.9 | Y1324 A1327 L1328 N1383 P1385 K1388 S1434 T1435 I1436 G1441 F1442 | Y1324-Y1438 HydrophobicContact CD2-CE1 4.17Å; Y1324-Y1438 AromaticContact CD2-CZ 3.98Å; Y1324-Y1438 HydrophobicContact CE2-CE1 4.06Å; A1327-Y1438 HydrophobicContact CB-CD2 4.03Å; A1327-Y1438 HydrophobicContact CB-CE2 3.6Å; L1328-Y1438 HydrophobicContact CD1-CD1 4.45Å; L1328-Y1438 HydrophobicContact CD1-CG 4.26Å; N1383-Y1438 VanDerWaalsContact O-CE1 3.3Å; N1383-Y1438 WeakPolarHBondContact O-CE1 3.46Å; P1385-Y1438 HydrophobicContact CB-CE1 4.41Å; P1385-Y1438 WeakPolarHBondContact CD-OH 3.49Å; P1385-Y1438 HydrophobicContact CG-CD1 4.08Å; P1385-Y1438 HydrophobicContact CG-CE1 3.53Å; P1385-Y1438 HydrophobicContact CG-CE2 4.33Å; K1388-Y1438 HydrophobicContact CD-CD1 4.13Å; K1388-Y1438 HydrophobicContact CD-CE1 4.32Å; S1434-Y1438 WeakPolarHBondContact O-CB 3.34Å; S1434-Y1438 PolarHBondContact O-N 3.4Å; T1435-Y1438 PolarHBondContact O-N 3.37Å; I1436-Y1438 VanDerWaalsContact C-N 3.33Å; I1436-Y1438 PolarHBondContact O-N 2.81Å; Y1438-G1441 PolarHBondContact O-N 2.66Å; Y1438-F1442 AromaticContact CD2-CD2 3.47Å; Y1438-F1442 HydrophobicContact CD2-CD2 3.47Å; Y1438-F1442 VanDerWaalsContact CD2-CD2 3.47Å; Y1438-F1442 AromaticContact CD2-CE2 3.81Å; Y1438-F1442 HydrophobicContact CD2-CE2 3.81Å; Y1438-F1442 AromaticContact CE2-CD2 3.75Å; Y1438-F1442 HydrophobicContact CE2-CD2 3.75Å; Y1438-F1442 HydrophobicContact CE2-CE2 4.15Å; Y1438-F1442 HydrophobicContact CG-CD2 4.41Å; Y1438-F1442 WeakPolarHBondContact O-CD2 3.2Å; Y1438-F1442 PolarHBondContact O-N 2.95Å |
| 1439 | V | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 178.1 | 175 | 0 | 0 | 0 | 0 | 111.2 | P1385 K1388 V1389 T1435 G1441 Y1443 G1444 W1455 | P1385-V1439 HydrophobicContact CB-CG2 4.18Å; K1388-V1439 HydrophobicContact CB-CG2 4.08Å; K1388-V1439 HydrophobicContact CD-CG2 4.26Å; V1389-V1439 HydrophobicContact CG2-CG1 3.63Å; T1435-V1439 WeakPolarHBondContact O-CG2 3.23Å; T1435-V1439 PolarHBondContact O-N 3.2Å; V1439-G1441 VanDerWaalsContact C-N 3.28Å; V1439-G1441 PolarHBondContact O-N 2.84Å; V1439-Y1443 CarbonylContact O-C 3.58Å; V1439-Y1443 WeakPolarHBondContact O-CA 3.05Å; V1439-Y1443 WeakPolarHBondContact O-CB 3.39Å; V1439-Y1443 PolarHBondContact O-N 2.97Å; V1439-G1444 PolarHBondContact O-N 3.45Å; V1439-W1455 HydrophobicContact CB-CH2 3.88Å; V1439-W1455 HydrophobicContact CB-CZ2 3.42Å; V1439-W1455 VanDerWaalsContact CB-CZ2 3.42Å; V1439-W1455 HydrophobicContact CG1-CD2 4.04Å; V1439-W1455 VanDerWaalsContact CG1-CE2 3.48Å; V1439-W1455 HydrophobicContact CG1-CE3 4.49Å; V1439-W1455 HydrophobicContact CG1-CH2 4.05Å; V1439-W1455 HydrophobicContact CG1-CZ2 3.51Å; V1439-W1455 HydrophobicContact CG1-CZ3 4.48Å; V1439-W1455 HydrophobicContact CG2-CH2 3.66Å; V1439-W1455 HydrophobicContact CG2-CZ2 3.78Å; V1439-W1455 HydrophobicContact CG2-CZ3 4.35Å |
| 1440 | N | 92 | Very high | 89.6 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | -177.7 | -71 | -13.6 | 0 | 0 | 0 | 112.5 | I1436 G1444 W1455 | I1436-N1440 WeakPolarHBondContact CG2-ND2 3.43Å; I1436-N1440 VanDerWaalsContact O-CB 3.29Å; I1436-N1440 WeakPolarHBondContact O-CB 3.25Å; I1436-N1440 VanDerWaalsContact O-CG 3.22Å; I1436-N1440 PolarHBondContact O-N 2.89Å; I1436-N1440 PolarHBondContact O-ND2 2.87Å; N1440-G1444 WeakPolarHBondContact O-CA 3.36Å; N1440-G1444 PolarHBondContact O-N 3.42Å; N1440-W1455 PolarHBondContact OD1-NE1 2.92Å |
| 1441 | G | 89.2 | Confident | 89.9 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.9 | -59 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1437 Y1438 V1439 | Q1437-G1441 PolarHBondContact O-N 3.12Å; Q1437-G1441 VanDerWaalsContact O-N 3.13Å; Y1438-G1441 PolarHBondContact O-N 2.66Å; V1439-G1441 VanDerWaalsContact C-N 3.28Å; V1439-G1441 PolarHBondContact O-N 2.84Å |
| 1442 | F | 89.5 | Confident | 90.1 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -86.6 | -12.7 | -169.4 | -63.1 | -75 | 0 | 0 | 0 | 114.4 | F1270 K1279 T1280 L1283 A1327 P1385 Y1438 R1446 | F1270-F1442 HydrophobicContact CE2-CE1 4.11Å; F1270-F1442 HydrophobicContact CE2-CZ 4.29Å; F1270-F1442 HydrophobicContact CZ-CE1 4.1Å; F1270-F1442 AromaticContact CZ-CZ 3.84Å; F1270-F1442 HydrophobicContact CZ-CZ 3.84Å; K1279-F1442 HydrophobicContact CB-CE1 4.27Å; K1279-F1442 HydrophobicContact CB-CZ 4.15Å; T1280-F1442 HydrophobicContact CG2-CD1 4.3Å; L1283-F1442 HydrophobicContact CD2-CD1 3.71Å; L1283-F1442 HydrophobicContact CD2-CE1 4.33Å; L1283-F1442 HydrophobicContact CD2-CG 4.5Å; A1327-F1442 HydrophobicContact CB-CE2 3.87Å; A1327-F1442 HydrophobicContact CB-CZ 4.08Å; P1385-F1442 HydrophobicContact CG-CB 4.15Å; Y1438-F1442 AromaticContact CD2-CD2 3.47Å; Y1438-F1442 HydrophobicContact CD2-CD2 3.47Å; Y1438-F1442 VanDerWaalsContact CD2-CD2 3.47Å; Y1438-F1442 AromaticContact CD2-CE2 3.81Å; Y1438-F1442 HydrophobicContact CD2-CE2 3.81Å; Y1438-F1442 AromaticContact CE2-CD2 3.75Å; Y1438-F1442 HydrophobicContact CE2-CD2 3.75Å; Y1438-F1442 HydrophobicContact CE2-CE2 4.15Å; Y1438-F1442 HydrophobicContact CG-CD2 4.41Å; Y1438-F1442 WeakPolarHBondContact O-CD2 3.2Å; Y1438-F1442 PolarHBondContact O-N 2.95Å; F1442-R1446 PolarHBondContact O-NH2 3.46Å |
| 1443 | Y | 87.9 | Confident | 90.3 | Very high | 17 Ų | 17 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -11.6 | -177.5 | -157.8 | -104.4 | 0 | 0 | 0 | 114.6 | P1385 R1386 V1389 V1439 N1445 R1446 L1447 | P1385-Y1443 HydrophobicContact CB-CD2 4.47Å; P1385-Y1443 HydrophobicContact CB-CG 4.1Å; R1386-Y1443 HydrophobicContact CB-CD2 4.32Å; R1386-Y1443 HydrophobicContact CB-CE1 4.41Å; R1386-Y1443 HydrophobicContact CB-CE2 3.82Å; R1386-Y1443 WeakPolarHBondContact CD-OH 3.44Å; R1386-Y1443 HydrophobicContact CG-CE1 4.43Å; R1386-Y1443 HydrophobicContact CG-CE2 4.13Å; R1386-Y1443 WeakPolarHBondContact CG-OH 3.4Å; V1389-Y1443 HydrophobicContact CG2-CD1 4.3Å; V1439-Y1443 CarbonylContact O-C 3.58Å; V1439-Y1443 WeakPolarHBondContact O-CA 3.05Å; V1439-Y1443 WeakPolarHBondContact O-CB 3.39Å; V1439-Y1443 PolarHBondContact O-N 2.97Å; Y1443-N1445 VanDerWaalsContact C-N 3.27Å; Y1443-N1445 PolarHBondContact O-N 3.19Å; Y1443-N1445 VanDerWaalsContact O-N 3.16Å; Y1443-R1446 HydrophobicContact CD2-CB 4.31Å; Y1443-R1446 HydrophobicContact CE2-CB 4.18Å; Y1443-R1446 WeakPolarHBondContact O-CA 3.26Å; Y1443-R1446 PolarHBondContact O-N 3.26Å; Y1443-L1447 HydrophobicContact CD1-CD2 3.87Å; Y1443-L1447 HydrophobicContact CD1-CG 4.02Å; Y1443-L1447 HydrophobicContact CE1-CD2 3.97Å; Y1443-L1447 HydrophobicContact CE1-CG 4.43Å; Y1443-L1447 PolarHBondContact O-N 3.48Å |
| 1444 | G | 85.4 | Confident | 90.3 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -37.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1439 N1440 R1446 | V1439-G1444 PolarHBondContact O-N 3.45Å; N1440-G1444 WeakPolarHBondContact O-CA 3.36Å; N1440-G1444 PolarHBondContact O-N 3.42Å; G1444-R1446 PolarHBondContact O-N 2.95Å |
| 1445 | N | 84.8 | Confident | 90.4 | Very high | 123 Ų | 123 | 49 Ų | 49 | 66% | 0.658 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.6 | 175.5 | -68.1 | -25.5 | 0 | 0 | 0 | 114.3 | Y1443 | Y1443-N1445 VanDerWaalsContact C-N 3.27Å; Y1443-N1445 PolarHBondContact O-N 3.19Å; Y1443-N1445 VanDerWaalsContact O-N 3.16Å |
| 1446 | R | 85.4 | Confident | 90.6 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -13.4 | -173.4 | -67.3 | -177.5 | -77.1 | 156.3 | -1.6 | 113.6 | E1316 F1442 Y1443 G1444 R1448 | E1316-R1446 IonicContact OE1-CZ 2.69Å; E1316-R1446 VanDerWaalsContact OE1-CZ 3.23Å; E1316-R1446 IonicContact OE1-NH1 3.68Å; E1316-R1446 PolarHBondContact OE1-NH1 3.28Å; E1316-R1446 IonicContact OE1-NH2 3.39Å; E1316-R1446 PolarHBondContact OE1-NH2 3.06Å; E1316-R1446 IonicContact OE2-CZ 3.15Å; E1316-R1446 IonicContact OE2-NH1 2.78Å; E1316-R1446 PolarHBondContact OE2-NH1 3.48Å; E1316-R1446 IonicContact OE2-NH2 2.63Å; F1442-R1446 PolarHBondContact O-NH2 3.46Å; Y1443-R1446 HydrophobicContact CD2-CB 4.31Å; Y1443-R1446 HydrophobicContact CE2-CB 4.18Å; Y1443-R1446 WeakPolarHBondContact O-CA 3.26Å; Y1443-R1446 PolarHBondContact O-N 3.26Å; G1444-R1446 PolarHBondContact O-N 2.95Å; R1446-R1448 PolarHBondContact O-N 3.48Å |
| 1447 | L | 87.7 | Confident | 90.6 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | trans | -57.8 | 122.8 | 168.4 | -72.6 | 174 | 0 | 0 | 0 | 110.6 | V1389 Y1443 D1451 A1452 W1455 | V1389-L1447 HydrophobicContact CG1-CD2 3.94Å; V1389-L1447 HydrophobicContact CG2-CD2 3.88Å; Y1443-L1447 HydrophobicContact CD1-CD2 3.87Å; Y1443-L1447 HydrophobicContact CD1-CG 4.02Å; Y1443-L1447 HydrophobicContact CE1-CD2 3.97Å; Y1443-L1447 HydrophobicContact CE1-CG 4.43Å; Y1443-L1447 PolarHBondContact O-N 3.48Å; L1447-D1451 HydrophobicContact CD2-CB 4.23Å; L1447-A1452 HydrophobicContact CB-CB 4.02Å; L1447-W1455 HydrophobicContact CD1-CB 4.25Å; L1447-W1455 HydrophobicContact CD1-CG 3.9Å; L1447-W1455 HydrophobicContact CD2-CB 4.29Å; L1447-W1455 HydrophobicContact CD2-CG 4.45Å | ||
| 1448 | R | 88.5 | Confident | 90.8 | Very high | 199 Ų | 199 | 49.7 Ų | 49.7 | 75% | 0.751 | 27% | 0.267 | S | S | * | . | trans | -146.2 | 160.7 | 177.1 | -66.4 | -171.3 | 177.9 | -150.7 | -2.1 | 110.6 | R1446 E1450 D1451 A1452 | R1446-R1448 PolarHBondContact O-N 3.48Å; R1448-E1450 PolarHBondContact O-N 3.49Å; R1448-D1451 PolarHBondContact O-N 2.93Å; R1448-A1452 PolarHBondContact O-N 3.2Å | ||
| 1449 | G | 91.6 | Very high | 90.9 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 68% | 0.68 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | 55.7 | -133.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1452 Y1453 | G1449-A1452 PolarHBondContact O-N 2.84Å; G1449-Y1453 PolarHBondContact O-N 3.47Å |
| 1450 | E | 89.7 | Confident | 91 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | -177.9 | -177.5 | 177.3 | -173.8 | 0 | 0 | 113.5 | R1448 A1452 Y1453 W1454 | R1448-E1450 PolarHBondContact O-N 3.49Å; E1450-A1452 PolarHBondContact O-N 3.41Å; E1450-Y1453 WeakPolarHBondContact O-CB 3.46Å; E1450-Y1453 PolarHBondContact O-N 3.36Å; E1450-W1454 PolarHBondContact O-N 3.48Å; E1450-W1454 PolarHBondContact OE1-NE1 3.32Å |
| 1451 | D | 90.5 | Very high | 91.1 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 22% | 0.219 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.5 | -41.6 | 176.7 | -74.6 | -10.2 | 0 | 0 | 0 | 111.6 | V1389 R1393 L1447 R1448 W1455 | V1389-D1451 HydrophobicContact CG1-CB 3.98Å; R1393-D1451 WeakPolarHBondContact CD-OD1 3.16Å; L1447-D1451 HydrophobicContact CD2-CB 4.23Å; R1448-D1451 PolarHBondContact O-N 2.93Å; D1451-W1455 WeakPolarHBondContact O-CB 3.46Å; D1451-W1455 PolarHBondContact O-N 3.24Å |
| 1452 | A | 93.7 | Very high | 91.4 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1447 R1448 G1449 E1450 A1456 | L1447-A1452 HydrophobicContact CB-CB 4.02Å; R1448-A1452 PolarHBondContact O-N 3.2Å; G1449-A1452 PolarHBondContact O-N 2.84Å; E1450-A1452 PolarHBondContact O-N 3.41Å; A1452-A1456 VanDerWaalsContact O-CB 3.27Å; A1452-A1456 WeakPolarHBondContact O-CB 3.04Å; A1452-A1456 PolarHBondContact O-N 3.24Å |
| 1453 | Y | 94.5 | Very high | 91.6 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -53.6 | 177.8 | 169.2 | -106.3 | 0 | 0 | 0 | 111.4 | G1449 E1450 W1455 A1456 Q1457 | G1449-Y1453 PolarHBondContact O-N 3.47Å; E1450-Y1453 WeakPolarHBondContact O-CB 3.46Å; E1450-Y1453 PolarHBondContact O-N 3.36Å; Y1453-W1455 VanDerWaalsContact C-N 3.31Å; Y1453-W1455 PolarHBondContact O-N 3.43Å; Y1453-A1456 WeakPolarHBondContact O-CB 3.46Å; Y1453-A1456 PolarHBondContact O-N 2.91Å; Y1453-A1456 VanDerWaalsContact O-N 3.15Å; Y1453-Q1457 HydrophobicContact CD2-CG 4.28Å; Y1453-Q1457 HydrophobicContact CE1-CG 4.26Å; Y1453-Q1457 HydrophobicContact CE2-CG 3.84Å; Y1453-Q1457 WeakPolarHBondContact O-CG 3.38Å; Y1453-Q1457 PolarHBondContact O-N 2.77Å; Y1453-Q1457 PolarHBondContact OH-NE2 2.99Å |
| 1454 | W | 93.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 179.6 | -64.3 | 122.6 | 0 | 0 | 0 | 112.5 | V1392 C1396 I1416 E1450 A1456 Q1457 F1458 | V1392-W1454 HydrophobicContact CG1-CB 4.2Å; V1392-W1454 WeakPolarHBondContact CG1-O 3.26Å; C1396-W1454 HydrophobicContact CB-CD2 3.58Å; C1396-W1454 HydrophobicContact CB-CE3 3.39Å; C1396-W1454 HydrophobicContact CB-CG 4.17Å; C1396-W1454 HydrophobicContact CB-CH2 4.18Å; C1396-W1454 HydrophobicContact CB-CZ2 4.35Å; C1396-W1454 HydrophobicContact CB-CZ3 3.71Å; C1396-W1454 VanDerWaalsContact SG-CE3 3.53Å; I1416-W1454 HydrophobicContact CD1-CH2 4.18Å; I1416-W1454 HydrophobicContact CD1-CZ3 4.33Å; I1416-W1454 HydrophobicContact CG2-CZ3 4.34Å; E1450-W1454 PolarHBondContact O-N 3.48Å; E1450-W1454 PolarHBondContact OE1-NE1 3.32Å; W1454-A1456 VanDerWaalsContact C-N 3.35Å; W1454-A1456 PolarHBondContact O-N 3.3Å; W1454-Q1457 PolarHBondContact O-N 2.8Å; W1454-F1458 PolarHBondContact O-N 2.97Å |
| 1455 | W | 95.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 174.2 | -170.6 | -105.5 | 0 | 0 | 0 | 112.7 | V1389 V1392 T1435 I1436 V1439 N1440 L1447 D1451 Y1453 F1458 C1459 | V1389-W1455 HydrophobicContact CB-CE3 4.38Å; V1389-W1455 HydrophobicContact CG2-CD2 4.01Å; V1389-W1455 HydrophobicContact CG2-CE3 3.75Å; V1389-W1455 HydrophobicContact CG2-CG 4.44Å; V1389-W1455 HydrophobicContact CG2-CZ3 4.26Å; V1392-W1455 HydrophobicContact CB-CE3 4.24Å; V1392-W1455 HydrophobicContact CB-CZ3 4.44Å; V1392-W1455 HydrophobicContact CG1-CE3 4.44Å; V1392-W1455 HydrophobicContact CG2-CE3 3.94Å; V1392-W1455 HydrophobicContact CG2-CZ3 3.7Å; T1435-W1455 HydrophobicContact CG2-CH2 4.32Å; I1436-W1455 HydrophobicContact CG1-CH2 4.45Å; I1436-W1455 HydrophobicContact CG1-CZ2 4.19Å; V1439-W1455 HydrophobicContact CB-CH2 3.88Å; V1439-W1455 HydrophobicContact CB-CZ2 3.42Å; V1439-W1455 VanDerWaalsContact CB-CZ2 3.42Å; V1439-W1455 HydrophobicContact CG1-CD2 4.04Å; V1439-W1455 VanDerWaalsContact CG1-CE2 3.48Å; V1439-W1455 HydrophobicContact CG1-CE3 4.49Å; V1439-W1455 HydrophobicContact CG1-CH2 4.05Å; V1439-W1455 HydrophobicContact CG1-CZ2 3.51Å; V1439-W1455 HydrophobicContact CG1-CZ3 4.48Å; V1439-W1455 HydrophobicContact CG2-CH2 3.66Å; V1439-W1455 HydrophobicContact CG2-CZ2 3.78Å; V1439-W1455 HydrophobicContact CG2-CZ3 4.35Å; N1440-W1455 PolarHBondContact OD1-NE1 2.92Å; L1447-W1455 HydrophobicContact CD1-CB 4.25Å; L1447-W1455 HydrophobicContact CD1-CG 3.9Å; L1447-W1455 HydrophobicContact CD2-CB 4.29Å; L1447-W1455 HydrophobicContact CD2-CG 4.45Å; D1451-W1455 WeakPolarHBondContact O-CB 3.46Å; D1451-W1455 PolarHBondContact O-N 3.24Å; Y1453-W1455 VanDerWaalsContact C-N 3.31Å; Y1453-W1455 PolarHBondContact O-N 3.43Å; W1455-F1458 HydrophobicContact CE3-CD1 4.2Å; W1455-F1458 AromaticContact CH2-CD1 3.98Å; W1455-F1458 HydrophobicContact CH2-CD1 3.98Å; W1455-F1458 AromaticContact CH2-CE1 3.92Å; W1455-F1458 HydrophobicContact CH2-CE1 3.92Å; W1455-F1458 AromaticContact CZ3-CD1 3.81Å; W1455-F1458 HydrophobicContact CZ3-CD1 3.81Å; W1455-F1458 AromaticContact CZ3-CE1 3.99Å; W1455-F1458 HydrophobicContact CZ3-CE1 3.99Å; W1455-F1458 PolarHBondContact O-N 3.35Å; W1455-C1459 PolarHBondContact O-N 2.79Å; W1455-C1459 PolarHBondContact O-SG 3.24Å |
| 1456 | A | 94.2 | Very high | 92.5 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1452 Y1453 W1454 F1458 C1459 S1460 | A1452-A1456 VanDerWaalsContact O-CB 3.27Å; A1452-A1456 WeakPolarHBondContact O-CB 3.04Å; A1452-A1456 PolarHBondContact O-N 3.24Å; Y1453-A1456 WeakPolarHBondContact O-CB 3.46Å; Y1453-A1456 PolarHBondContact O-N 2.91Å; Y1453-A1456 VanDerWaalsContact O-N 3.15Å; W1454-A1456 VanDerWaalsContact C-N 3.35Å; W1454-A1456 PolarHBondContact O-N 3.3Å; A1456-F1458 PolarHBondContact O-N 3.18Å; A1456-C1459 PolarHBondContact O-N 2.88Å; A1456-S1460 WeakPolarHBondContact O-CB 3.02Å; A1456-S1460 PolarHBondContact O-N 2.95Å; A1456-S1460 PolarHBondContact O-OG 2.7Å; A1456-S1460 VanDerWaalsContact O-OG 3.09Å |
| 1457 | Q | 93.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 51 Ų | 51 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.8 | -63.8 | -70.3 | 48.5 | 0 | 0 | 111.8 | M1417 L1420 Y1453 W1454 S1460 A1461 | M1417-Q1457 HydrophobicContact CE-CB 3.91Å; M1417-Q1457 HydrophobicContact CE-CG 4.36Å; M1417-Q1457 WeakPolarHBondContact CE-O 3.18Å; L1420-Q1457 HydrophobicContact CD2-CB 4.23Å; Y1453-Q1457 HydrophobicContact CD2-CG 4.28Å; Y1453-Q1457 HydrophobicContact CE1-CG 4.26Å; Y1453-Q1457 HydrophobicContact CE2-CG 3.84Å; Y1453-Q1457 WeakPolarHBondContact O-CG 3.38Å; Y1453-Q1457 PolarHBondContact O-N 2.77Å; Y1453-Q1457 PolarHBondContact OH-NE2 2.99Å; W1454-Q1457 PolarHBondContact O-N 2.8Å; Q1457-S1460 WeakPolarHBondContact O-CB 3.25Å; Q1457-S1460 PolarHBondContact O-N 3.19Å; Q1457-A1461 PolarHBondContact O-N 3.22Å |
| 1458 | F | 95 | Very high | 92.5 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.7 | 178.8 | -99.9 | 0 | 0 | 0 | 112.8 | L1379 V1392 V1424 L1432 I1436 W1454 W1455 A1456 S1460 A1461 V1462 | L1379-F1458 HydrophobicContact CD2-CE2 4.19Å; V1392-F1458 HydrophobicContact CB-CB 4.47Å; V1392-F1458 HydrophobicContact CB-CG 4.45Å; V1392-F1458 HydrophobicContact CG1-CB 3.52Å; V1392-F1458 HydrophobicContact CG1-CD2 4.26Å; V1392-F1458 HydrophobicContact CG1-CG 3.99Å; V1392-F1458 HydrophobicContact CG2-CB 4.07Å; V1392-F1458 HydrophobicContact CG2-CD1 3.82Å; V1392-F1458 HydrophobicContact CG2-CD2 3.57Å; V1392-F1458 HydrophobicContact CG2-CE1 4.07Å; V1392-F1458 HydrophobicContact CG2-CE2 3.82Å; V1392-F1458 HydrophobicContact CG2-CG 3.56Å; V1392-F1458 HydrophobicContact CG2-CZ 4.06Å; V1424-F1458 HydrophobicContact CG2-CD2 4.02Å; V1424-F1458 HydrophobicContact CG2-CE2 3.75Å; L1432-F1458 HydrophobicContact CD1-CE1 4Å; L1432-F1458 HydrophobicContact CD1-CZ 3.54Å; I1436-F1458 HydrophobicContact CD1-CE1 4.34Å; I1436-F1458 HydrophobicContact CG1-CE1 4.18Å; W1454-F1458 PolarHBondContact O-N 2.97Å; W1455-F1458 HydrophobicContact CE3-CD1 4.2Å; W1455-F1458 AromaticContact CH2-CD1 3.98Å; W1455-F1458 HydrophobicContact CH2-CD1 3.98Å; W1455-F1458 AromaticContact CH2-CE1 3.92Å; W1455-F1458 HydrophobicContact CH2-CE1 3.92Å; W1455-F1458 AromaticContact CZ3-CD1 3.81Å; W1455-F1458 HydrophobicContact CZ3-CD1 3.81Å; W1455-F1458 AromaticContact CZ3-CE1 3.99Å; W1455-F1458 HydrophobicContact CZ3-CE1 3.99Å; W1455-F1458 PolarHBondContact O-N 3.35Å; A1456-F1458 PolarHBondContact O-N 3.18Å; F1458-S1460 VanDerWaalsContact C-N 3.32Å; F1458-S1460 PolarHBondContact O-N 2.77Å; F1458-A1461 WeakPolarHBondContact O-CB 3.47Å; F1458-A1461 PolarHBondContact O-N 3.43Å; F1458-V1462 HydrophobicContact CE1-CG2 4.46Å; F1458-V1462 HydrophobicContact CZ-CG2 4.48Å; F1458-V1462 WeakPolarHBondContact O-CG2 3.42Å; F1458-V1462 PolarHBondContact O-N 3.08Å |
| 1459 | C | 95.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.1 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | W1455 A1456 A1461 V1462 E1463 | W1455-C1459 PolarHBondContact O-N 2.79Å; W1455-C1459 PolarHBondContact O-SG 3.24Å; A1456-C1459 PolarHBondContact O-N 2.88Å; C1459-A1461 PolarHBondContact O-N 2.69Å; C1459-V1462 PolarHBondContact O-N 2.81Å; C1459-E1463 WeakPolarHBondContact O-CG 3.4Å; C1459-E1463 PolarHBondContact O-N 2.92Å |
| 1460 | S | 94.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -40.3 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | A1456 Q1457 F1458 E1463 F1464 | A1456-S1460 WeakPolarHBondContact O-CB 3.02Å; A1456-S1460 PolarHBondContact O-N 2.95Å; A1456-S1460 PolarHBondContact O-OG 2.7Å; A1456-S1460 VanDerWaalsContact O-OG 3.09Å; Q1457-S1460 WeakPolarHBondContact O-CB 3.25Å; Q1457-S1460 PolarHBondContact O-N 3.19Å; F1458-S1460 VanDerWaalsContact C-N 3.32Å; F1458-S1460 PolarHBondContact O-N 2.77Å; S1460-E1463 PolarHBondContact O-N 3.24Å; S1460-F1464 WeakPolarHBondContact O-CB 3.29Å; S1460-F1464 PolarHBondContact O-N 3.35Å |
| 1461 | A | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1417 L1420 V1421 Q1457 F1458 C1459 F1464 I1465 | M1417-A1461 HydrophobicContact SD-CB 4.01Å; L1420-A1461 HydrophobicContact CD2-CB 4.29Å; L1420-A1461 HydrophobicContact CG-CB 4.2Å; V1421-A1461 HydrophobicContact CG2-CB 3.69Å; Q1457-A1461 PolarHBondContact O-N 3.22Å; F1458-A1461 WeakPolarHBondContact O-CB 3.47Å; F1458-A1461 PolarHBondContact O-N 3.43Å; C1459-A1461 PolarHBondContact O-N 2.69Å; A1461-F1464 WeakPolarHBondContact O-CB 3.45Å; A1461-F1464 PolarHBondContact O-N 3.12Å; A1461-I1465 VanDerWaalsContact O-CG1 3.25Å; A1461-I1465 WeakPolarHBondContact O-CG1 3.49Å; A1461-I1465 PolarHBondContact O-N 3.03Å |
| 1462 | V | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.5 | -36.4 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | F1342 V1424 L1432 L1433 I1436 F1458 C1459 F1464 I1465 K1466 | F1342-V1462 HydrophobicContact CE1-CG1 4.24Å; F1342-V1462 HydrophobicContact CZ-CG1 4.34Å; V1424-V1462 HydrophobicContact CG1-CG2 4.19Å; L1432-V1462 HydrophobicContact CD1-CG2 4.04Å; L1432-V1462 HydrophobicContact CD2-CG1 4.25Å; L1432-V1462 HydrophobicContact CD2-CG2 3.94Å; L1432-V1462 HydrophobicContact CG-CG1 4.21Å; L1432-V1462 HydrophobicContact CG-CG2 4.1Å; L1433-V1462 HydrophobicContact CD2-CG1 4.05Å; I1436-V1462 HydrophobicContact CD1-CB 3.77Å; I1436-V1462 HydrophobicContact CD1-CG1 3.74Å; I1436-V1462 HydrophobicContact CD1-CG2 3.92Å; F1458-V1462 HydrophobicContact CE1-CG2 4.46Å; F1458-V1462 HydrophobicContact CZ-CG2 4.48Å; F1458-V1462 WeakPolarHBondContact O-CG2 3.42Å; F1458-V1462 PolarHBondContact O-N 3.08Å; C1459-V1462 PolarHBondContact O-N 2.81Å; V1462-F1464 VanDerWaalsContact C-N 3.31Å; V1462-F1464 PolarHBondContact O-N 2.65Å; V1462-I1465 PolarHBondContact O-N 3.29Å; V1462-K1466 WeakPolarHBondContact O-CG 3.41Å; V1462-K1466 PolarHBondContact O-N 3.37Å; V1462-K1466 VanDerWaalsContact O-N 3.12Å |
| 1463 | E | 93 | Very high | 88 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -35.2 | 169.9 | -63.7 | -52.2 | 138.6 | 0 | 0 | 112 | C1459 S1460 K1466 I1467 | C1459-E1463 WeakPolarHBondContact O-CG 3.4Å; C1459-E1463 PolarHBondContact O-N 2.92Å; S1460-E1463 PolarHBondContact O-N 3.24Å; E1463-K1466 PolarHBondContact O-N 2.86Å; E1463-K1466 IonicContact OE1-NZ 2.62Å; E1463-K1466 PolarHBondContact OE1-NZ 3.17Å; E1463-K1466 WeakPolarHBondContact OE2-CD 3.31Å; E1463-K1466 IonicContact OE2-NZ 2.66Å; E1463-K1466 PolarHBondContact OE2-NZ 3.23Å; E1463-K1466 VanDerWaalsContact OE2-NZ 3.08Å; E1463-I1467 WeakPolarHBondContact O-CG1 3.08Å; E1463-I1467 PolarHBondContact O-N 3.1Å |
| 1464 | F | 92.6 | Very high | 85.9 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 28% | 0.281 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 173.4 | -170.3 | -92.2 | 0 | 0 | 0 | 112.2 | I974 N1359 V1421 S1460 A1461 V1462 K1466 I1467 L1468 | I974-F1464 HydrophobicContact CD1-CE2 4.44Å; N1359-F1464 VanDerWaalsContact O-CZ 3.31Å; N1359-F1464 WeakPolarHBondContact O-CZ 3.36Å; V1421-F1464 HydrophobicContact CG1-CD1 3.89Å; V1421-F1464 HydrophobicContact CG1-CE1 4.32Å; V1421-F1464 HydrophobicContact CG2-CB 4.38Å; V1421-F1464 HydrophobicContact CG2-CD1 4.05Å; V1421-F1464 HydrophobicContact CG2-CG 4.48Å; S1460-F1464 WeakPolarHBondContact O-CB 3.29Å; S1460-F1464 PolarHBondContact O-N 3.35Å; A1461-F1464 WeakPolarHBondContact O-CB 3.45Å; A1461-F1464 PolarHBondContact O-N 3.12Å; V1462-F1464 VanDerWaalsContact C-N 3.31Å; V1462-F1464 PolarHBondContact O-N 2.65Å; F1464-K1466 VanDerWaalsContact C-N 3.33Å; F1464-K1466 PolarHBondContact O-N 3.29Å; F1464-I1467 PolarHBondContact O-N 2.89Å; F1464-L1468 WeakPolarHBondContact O-CB 3.35Å; F1464-L1468 PolarHBondContact O-N 3.44Å |
| 1465 | I | 93.2 | Very high | 83.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.8 | -68.1 | 165.2 | 0 | 0 | 0 | 111.3 | F1342 V1346 L1349 V1421 V1424 I1425 A1461 V1462 L1468 A1469 | F1342-I1465 HydrophobicContact CZ-CG2 3.9Å; V1346-I1465 HydrophobicContact CG2-CG2 3.73Å; L1349-I1465 HydrophobicContact CD2-CG2 4.17Å; V1421-I1465 HydrophobicContact CG1-CG1 4.18Å; V1424-I1465 HydrophobicContact CB-CD1 3.91Å; V1424-I1465 HydrophobicContact CG1-CD1 3.59Å; I1425-I1465 HydrophobicContact CD1-CD1 4.44Å; I1425-I1465 HydrophobicContact CD1-CG1 3.96Å; I1425-I1465 HydrophobicContact CG1-CD1 3.69Å; I1425-I1465 HydrophobicContact CG1-CG1 3.68Å; I1425-I1465 HydrophobicContact CG1-CG2 4.25Å; A1461-I1465 VanDerWaalsContact O-CG1 3.25Å; A1461-I1465 WeakPolarHBondContact O-CG1 3.49Å; A1461-I1465 PolarHBondContact O-N 3.03Å; V1462-I1465 PolarHBondContact O-N 3.29Å; I1465-L1468 PolarHBondContact O-N 2.86Å; I1465-A1469 WeakPolarHBondContact O-CB 3.35Å; I1465-A1469 PolarHBondContact O-N 2.98Å |
| 1466 | K | 90.7 | Very high | 81.6 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 173 | -67.8 | 168.5 | -172 | 171.4 | 0 | 111.9 | F1342 V1462 E1463 F1464 L1468 A1469 D1470 | F1342-K1466 HydrophobicContact CD2-CG 4.46Å; F1342-K1466 HydrophobicContact CE2-CB 4.41Å; F1342-K1466 HydrophobicContact CE2-CG 3.53Å; F1342-K1466 HydrophobicContact CZ-CG 3.8Å; V1462-K1466 WeakPolarHBondContact O-CG 3.41Å; V1462-K1466 PolarHBondContact O-N 3.37Å; V1462-K1466 VanDerWaalsContact O-N 3.12Å; E1463-K1466 PolarHBondContact O-N 2.86Å; E1463-K1466 IonicContact OE1-NZ 2.62Å; E1463-K1466 PolarHBondContact OE1-NZ 3.17Å; E1463-K1466 WeakPolarHBondContact OE2-CD 3.31Å; E1463-K1466 IonicContact OE2-NZ 2.66Å; E1463-K1466 PolarHBondContact OE2-NZ 3.23Å; E1463-K1466 VanDerWaalsContact OE2-NZ 3.08Å; F1464-K1466 VanDerWaalsContact C-N 3.33Å; F1464-K1466 PolarHBondContact O-N 3.29Å; K1466-L1468 PolarHBondContact O-N 3.45Å; K1466-A1469 PolarHBondContact O-N 3.2Å; K1466-D1470 PolarHBondContact O-N 2.71Å |
| 1467 | I | 88.5 | Confident | 79.1 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 178 | -63.2 | 164.3 | 0 | 0 | 0 | 110.6 | I974 E1463 F1464 M1471 | I974-I1467 HydrophobicContact CD1-CG2 3.8Å; E1463-I1467 WeakPolarHBondContact O-CG1 3.08Å; E1463-I1467 PolarHBondContact O-N 3.1Å; F1464-I1467 PolarHBondContact O-N 2.89Å; I1467-M1471 WeakPolarHBondContact O-CG 3.33Å; I1467-M1471 PolarHBondContact O-N 2.75Å |
| 1468 | L | 86.5 | Confident | 76.6 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.5 | -40 | 177.6 | -163.2 | 67.1 | 0 | 0 | 0 | 112.2 | L1349 I1353 N1359 I1360 I1425 F1464 I1465 K1466 M1471 D1472 | L1349-L1468 HydrophobicContact CD1-CD2 4.33Å; L1349-L1468 HydrophobicContact CD1-CG 4.17Å; L1349-L1468 HydrophobicContact CD2-CB 4.43Å; L1349-L1468 HydrophobicContact CD2-CD2 4.35Å; L1349-L1468 HydrophobicContact CD2-CG 4.46Å; I1353-L1468 HydrophobicContact CD1-CD2 3.56Å; N1359-L1468 HydrophobicContact CB-CD1 3.52Å; I1360-L1468 HydrophobicContact CG1-CD2 4.42Å; I1425-L1468 HydrophobicContact CD1-CD2 4.12Å; F1464-L1468 WeakPolarHBondContact O-CB 3.35Å; F1464-L1468 PolarHBondContact O-N 3.44Å; I1465-L1468 PolarHBondContact O-N 2.86Å; K1466-L1468 PolarHBondContact O-N 3.45Å; L1468-M1471 PolarHBondContact O-N 3.04Å; L1468-D1472 PolarHBondContact O-N 3.4Å |
| 1469 | A | 82.6 | Confident | 74.1 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | T1345 L1349 I1465 K1466 M1471 D1472 T1473 | T1345-A1469 HydrophobicContact CG2-CB 3.69Å; L1349-A1469 HydrophobicContact CD2-CB 4.22Å; I1465-A1469 WeakPolarHBondContact O-CB 3.35Å; I1465-A1469 PolarHBondContact O-N 2.98Å; K1466-A1469 PolarHBondContact O-N 3.2Å; A1469-M1471 PolarHBondContact O-N 2.83Å; A1469-D1472 PolarHBondContact O-N 3.27Å; A1469-T1473 PolarHBondContact O-N 2.99Å; A1469-T1473 PolarHBondContact O-OG1 3.28Å |
| 1470 | D | 78.1 | Confident | 71.8 | Confident | 106 Ų | 106 | 69.3 Ų | 69.3 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62 | -33.6 | 172.1 | -73.4 | -11.1 | 0 | 0 | 0 | 110.9 | K1466 T1473 M1474 | K1466-D1470 PolarHBondContact O-N 2.71Å; D1470-T1473 PolarHBondContact O-OG1 2.94Å; D1470-M1474 WeakPolarHBondContact O-CB 3.49Å; D1470-M1474 WeakPolarHBondContact O-CG 3.44Å; D1470-M1474 PolarHBondContact O-N 2.89Å |
| 1471 | M | 73.2 | Confident | 69.9 | Low | 98 Ų | 98 | 72.7 Ų | 72.7 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.5 | -40.1 | 175.8 | -64.2 | -104.5 | 65.1 | 0 | 0 | 112.7 | I1467 L1468 A1469 M1474 A1475 | I1467-M1471 WeakPolarHBondContact O-CG 3.33Å; I1467-M1471 PolarHBondContact O-N 2.75Å; L1468-M1471 PolarHBondContact O-N 3.04Å; A1469-M1471 PolarHBondContact O-N 2.83Å; M1471-M1474 PolarHBondContact O-N 3.05Å; M1471-A1475 PolarHBondContact O-N 2.99Å |
| 1472 | D | 65.5 | Low | 68.1 | Low | 50 Ų | 50 | 74 Ų | 74 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | -179.7 | -119.8 | 34.4 | 0 | 0 | 0 | 111.8 | L1349 L1468 A1469 M1474 A1475 | L1349-D1472 HydrophobicContact CD1-CB 4.12Å; L1349-D1472 WeakPolarHBondContact CD1-OD2 3.47Å; L1468-D1472 PolarHBondContact O-N 3.4Å; A1469-D1472 PolarHBondContact O-N 3.27Å; D1472-M1474 VanDerWaalsContact C-N 3.33Å; D1472-M1474 PolarHBondContact O-N 3.43Å; D1472-A1475 WeakPolarHBondContact O-CB 3.32Å; D1472-A1475 PolarHBondContact O-N 3.48Å; D1472-A1475 VanDerWaalsContact O-N 3.11Å |
| 1473 | T | 58.1 | Low | 66.8 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 174.9 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | A1469 D1470 A1475 E1477 | A1469-T1473 PolarHBondContact O-N 2.99Å; A1469-T1473 PolarHBondContact O-OG1 3.28Å; D1470-T1473 PolarHBondContact O-OG1 2.94Å; T1473-A1475 PolarHBondContact O-N 3.14Å; T1473-E1477 PolarHBondContact O-N 3.16Å |
| 1474 | M | 50.9 | Low | 65.8 | Low | 109 Ų | 109 | 76.6 Ų | 76.6 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.8 | 5.8 | 172.9 | -60 | -80.1 | 143.4 | 0 | 0 | 113.6 | D1470 M1471 D1472 | D1470-M1474 WeakPolarHBondContact O-CB 3.49Å; D1470-M1474 WeakPolarHBondContact O-CG 3.44Å; D1470-M1474 PolarHBondContact O-N 2.89Å; M1471-M1474 PolarHBondContact O-N 3.05Å; D1472-M1474 VanDerWaalsContact C-N 3.33Å; D1472-M1474 PolarHBondContact O-N 3.43Å |
| 1475 | A | 52.4 | Low | 65 | Low | 79 Ų | 79 | 78.9 Ų | 78.9 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -104.9 | -22.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1471 D1472 T1473 | M1471-A1475 PolarHBondContact O-N 2.99Å; D1472-A1475 WeakPolarHBondContact O-CB 3.32Å; D1472-A1475 PolarHBondContact O-N 3.48Å; D1472-A1475 VanDerWaalsContact O-N 3.11Å; T1473-A1475 PolarHBondContact O-N 3.14Å |
| 1476 | D | 47.3 | Very low | 64.2 | Low | 157 Ų | 157 | 82.4 Ų | 82.4 | 84% | 0.84 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -92.1 | -34.9 | 177.1 | -159.6 | 35.6 | 0 | 0 | 0 | 111.5 | ||
| 1477 | E | 41.7 | Very low | 63.6 | Low | 144 Ų | 144 | 82.6 Ų | 82.6 | 67% | 0.673 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -81.5 | 118.3 | 160.6 | -69.1 | -161.5 | 164.6 | 0 | 0 | 110.3 | T1473 E1479 | T1473-E1477 PolarHBondContact O-N 3.16Å; E1477-E1479 PolarHBondContact O-N 3.17Å |
| 1478 | G | 40.7 | Very low | 63.2 | Low | 86 Ų | 86 | 79.4 Ų | 79.4 | 89% | 0.887 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -68.9 | 25.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1479 | E | 42.3 | Very low | 63 | Low | 98 Ų | 98 | 81 Ų | 81 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | trans | -103.2 | 80.1 | 168.4 | -70.8 | -157 | 178.7 | 0 | 0 | 110.9 | E1477 R1485 | E1477-E1479 PolarHBondContact O-N 3.17Å; E1479-R1485 WeakPolarHBondContact OE1-CD 3.29Å; E1479-R1485 IonicContact OE1-CZ 3.3Å; E1479-R1485 IonicContact OE1-NE 3.64Å; E1479-R1485 IonicContact OE1-NH1 3.93Å; E1479-R1485 PolarHBondContact OE1-NH1 3.12Å | ||
| 1480 | E | 47.9 | Very low | 63 | Low | 102 Ų | 102 | 86.6 Ų | 86.6 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | trans | -43.5 | 148 | 147.9 | -105.1 | -179.5 | 114.7 | 0 | 0 | 109.5 | G1482 L1514 K1518 | E1480-G1482 PolarHBondContact O-N 3.24Å; E1480-L1514 HydrophobicContact CB-CD2 4.35Å; E1480-K1518 VanDerWaalsContact CD-CE 3.46Å; E1480-K1518 WeakPolarHBondContact OE1-CE 3.33Å; E1480-K1518 IonicContact OE1-NZ 3.74Å; E1480-K1518 WeakPolarHBondContact OE2-CE 3.44Å; E1480-K1518 IonicContact OE2-NZ 3.58Å; E1480-K1518 PolarHBondContact OE2-NZ 2.99Å | ||
| 1481 | P | 53.3 | Low | 63.2 | Low | 136 Ų | 136 | 85.7 Ų | 85.7 | 88% | 0.883 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -68.1 | 74 | -172.4 | 27.9 | -36.4 | 0 | 0 | 0 | 113.2 | ||
| 1482 | G | 57.1 | Low | 63.7 | Low | 28 Ų | 28 | 81.8 Ų | 81.8 | 29% | 0.289 | 48% | 0.479 | S | S | . | . | trans | -87 | -179.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1480 P1484 | E1480-G1482 PolarHBondContact O-N 3.24Å; G1482-P1484 WeakPolarHBondContact O-CD 3.24Å | ||
| 1483 | I | 67.3 | Low | 64.5 | Low | 67 Ų | 67 | 86.4 Ų | 86.4 | 34% | 0.344 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -62.7 | 123.7 | 175 | -54.8 | -172.4 | 0 | 0 | 0 | 108 | R1485 H1510 C1513 V1517 | I1483-R1485 PolarHBondContact O-N 3.45Å; I1483-H1510 PolarHBondContact O-CD2 3.09Å; I1483-H1510 PolarHBondContact O-NE2 2.96Å; I1483-C1513 HydrophobicContact CD1-CB 3.97Å; I1483-V1517 HydrophobicContact CD1-CG2 4.49Å |
| 1484 | P | 71.7 | Confident | 65.8 | Low | 81 Ų | 81 | 89 Ų | 89 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | trans | -54.6 | 126.7 | -174.3 | -29.9 | 35.7 | 0 | 0 | 0 | 112 | G1482 A1486 S1487 L1488 | G1482-P1484 WeakPolarHBondContact O-CD 3.24Å; P1484-A1486 PolarHBondContact O-N 3.13Å; P1484-S1487 WeakPolarHBondContact O-CA 3.44Å; P1484-S1487 WeakPolarHBondContact O-CB 3.48Å; P1484-S1487 PolarHBondContact O-N 3.03Å; P1484-L1488 PolarHBondContact O-N 2.99Å; P1484-L1488 VanDerWaalsContact O-N 3.17Å | ||
| 1485 | R | 76.6 | Confident | 67.4 | Low | 112 Ų | 112 | 88.4 Ų | 88.4 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -51.7 | -33 | -177.5 | -79.4 | 171.3 | 143.7 | 160.9 | -11.8 | 112.5 | E1479 I1483 N1489 D1507 | E1479-R1485 WeakPolarHBondContact OE1-CD 3.29Å; E1479-R1485 IonicContact OE1-CZ 3.3Å; E1479-R1485 IonicContact OE1-NE 3.64Å; E1479-R1485 IonicContact OE1-NH1 3.93Å; E1479-R1485 PolarHBondContact OE1-NH1 3.12Å; I1483-R1485 PolarHBondContact O-N 3.45Å; R1485-N1489 VanDerWaalsContact O-CB 3.29Å; R1485-N1489 WeakPolarHBondContact O-CB 3.38Å; R1485-N1489 PolarHBondContact O-N 3.32Å; R1485-N1489 PolarHBondContact O-ND2 3.49Å; R1485-D1507 IonicContact CZ-OD1 3.96Å; R1485-D1507 IonicContact NE-OD1 3.53Å; R1485-D1507 IonicContact NH2-OD1 3.75Å; R1485-D1507 PolarHBondContact NH2-OD1 3.28Å |
| 1486 | A | 76.7 | Confident | 69 | Low | 74 Ų | 74 | 88.8 Ų | 88.8 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | P1484 K1490 | P1484-A1486 PolarHBondContact O-N 3.13Å; A1486-K1490 PolarHBondContact O-N 2.97Å |
| 1487 | S | 76.5 | Confident | 70.4 | Confident | 62 Ų | 62 | 85.6 Ų | 85.6 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.9 | -45 | 177.3 | -62 | 0 | 0 | 0 | 0 | 111.3 | P1484 K1490 V1491 | P1484-S1487 WeakPolarHBondContact O-CA 3.44Å; P1484-S1487 WeakPolarHBondContact O-CB 3.48Å; P1484-S1487 PolarHBondContact O-N 3.03Å; S1487-K1490 WeakPolarHBondContact O-CA 3.47Å; S1487-K1490 WeakPolarHBondContact O-CB 3.26Å; S1487-K1490 PolarHBondContact O-N 3.05Å; S1487-K1490 VanDerWaalsContact O-N 3.08Å; S1487-V1491 PolarHBondContact O-N 2.87Å |
| 1488 | L | 81.6 | Confident | 72.4 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 8% | 0.079 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.1 | -173.1 | 66.3 | 0 | 0 | 0 | 111.1 | P1484 K1490 V1491 I1492 L1509 H1510 | P1484-L1488 PolarHBondContact O-N 2.99Å; P1484-L1488 VanDerWaalsContact O-N 3.17Å; L1488-K1490 PolarHBondContact O-N 3.37Å; L1488-V1491 PolarHBondContact O-N 3.08Å; L1488-V1491 VanDerWaalsContact O-N 3.15Å; L1488-I1492 HydrophobicContact CG-CD1 4.16Å; L1488-I1492 VanDerWaalsContact O-CG1 3.32Å; L1488-I1492 WeakPolarHBondContact O-CG1 3.41Å; L1488-I1492 PolarHBondContact O-N 3.33Å; L1488-L1509 HydrophobicContact CD1-CD2 4Å; L1488-L1509 HydrophobicContact CD2-CD2 4.38Å; L1488-L1509 HydrophobicContact CG-CD2 4.31Å; L1488-H1510 VanDerWaalsContact CD2-CA 3.47Å; L1488-H1510 HydrophobicContact CD2-CB 3.63Å |
| 1489 | N | 81.2 | Confident | 74.2 | Confident | 40 Ų | 40 | 86 Ų | 86 | 21% | 0.214 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.4 | -24.5 | 173.7 | -83.9 | -78.5 | 0 | 0 | 0 | 113.2 | R1485 R1493 R1506 | R1485-N1489 VanDerWaalsContact O-CB 3.29Å; R1485-N1489 WeakPolarHBondContact O-CB 3.38Å; R1485-N1489 PolarHBondContact O-N 3.32Å; R1485-N1489 PolarHBondContact O-ND2 3.49Å; N1489-R1493 WeakPolarHBondContact O-CG 3.37Å; N1489-R1493 PolarHBondContact O-N 3.29Å; N1489-R1493 PolarHBondContact O-NE 3.45Å; N1489-R1493 PolarHBondContact O-NH2 3.16Å; N1489-R1506 PolarHBondContact OD1-NH1 2.73Å |
| 1490 | K | 83.3 | Confident | 75.9 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.1 | -53.9 | 169.1 | -172.9 | -175.4 | 171.7 | -171.8 | 0 | 110.7 | A1486 S1487 L1488 I1492 R1493 D1494 | A1486-K1490 PolarHBondContact O-N 2.97Å; S1487-K1490 WeakPolarHBondContact O-CA 3.47Å; S1487-K1490 WeakPolarHBondContact O-CB 3.26Å; S1487-K1490 PolarHBondContact O-N 3.05Å; S1487-K1490 VanDerWaalsContact O-N 3.08Å; L1488-K1490 PolarHBondContact O-N 3.37Å; K1490-I1492 PolarHBondContact O-N 3.25Å; K1490-R1493 PolarHBondContact O-N 3.38Å; K1490-D1494 WeakPolarHBondContact CE-OD2 3.49Å; K1490-D1494 WeakPolarHBondContact CG-OD2 3.4Å; K1490-D1494 PolarHBondContact O-N 3.1Å |
| 1491 | V | 82.4 | Confident | 77.4 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 53% | 0.527 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.2 | -41.8 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | S1487 L1488 R1493 D1494 T1495 | S1487-V1491 PolarHBondContact O-N 2.87Å; L1488-V1491 PolarHBondContact O-N 3.08Å; L1488-V1491 VanDerWaalsContact O-N 3.15Å; V1491-R1493 PolarHBondContact O-N 2.87Å; V1491-D1494 PolarHBondContact O-N 3.29Å; V1491-T1495 VanDerWaalsContact O-CB 3.28Å; V1491-T1495 WeakPolarHBondContact O-CB 3.38Å; V1491-T1495 PolarHBondContact O-N 2.83Å; V1491-T1495 PolarHBondContact O-OG1 2.76Å |
| 1492 | I | 83 | Confident | 79 | Confident | 16 Ų | 16 | 86.5 Ų | 86.5 | 8% | 0.082 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 173.9 | -71.5 | 168.3 | 0 | 0 | 0 | 112 | L1488 K1490 L1496 L1501 R1506 L1509 | L1488-I1492 HydrophobicContact CG-CD1 4.16Å; L1488-I1492 VanDerWaalsContact O-CG1 3.32Å; L1488-I1492 WeakPolarHBondContact O-CG1 3.41Å; L1488-I1492 PolarHBondContact O-N 3.33Å; K1490-I1492 PolarHBondContact O-N 3.25Å; I1492-L1496 PolarHBondContact O-N 3.28Å; I1492-L1501 HydrophobicContact CG2-CD1 3.65Å; I1492-R1506 HydrophobicContact CD1-CB 4.45Å; I1492-R1506 HydrophobicContact CD1-CG 4.1Å; I1492-L1509 HydrophobicContact CD1-CD2 3.78Å; I1492-L1509 HydrophobicContact CG1-CD2 3.84Å |
| 1493 | R | 82.1 | Confident | 80.1 | Confident | 147 Ų | 147 | 87 Ų | 87 | 56% | 0.555 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.7 | -39.3 | 179.8 | -76.8 | 173.8 | -70.8 | -170.5 | -0.3 | 112.3 | N1489 K1490 V1491 T1495 P1497 | N1489-R1493 WeakPolarHBondContact O-CG 3.37Å; N1489-R1493 PolarHBondContact O-N 3.29Å; N1489-R1493 PolarHBondContact O-NE 3.45Å; N1489-R1493 PolarHBondContact O-NH2 3.16Å; K1490-R1493 PolarHBondContact O-N 3.38Å; V1491-R1493 PolarHBondContact O-N 2.87Å; R1493-T1495 VanDerWaalsContact C-N 3.32Å; R1493-P1497 VanDerWaalsContact O-CA 3.3Å; R1493-P1497 WeakPolarHBondContact O-CA 3.47Å |
| 1494 | D | 85.2 | Confident | 80.9 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 57% | 0.572 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.3 | -31.7 | 179.8 | -64.3 | -4.1 | 0 | 0 | 0 | 111.3 | K1490 V1491 | K1490-D1494 WeakPolarHBondContact CE-OD2 3.49Å; K1490-D1494 WeakPolarHBondContact CG-OD2 3.4Å; K1490-D1494 PolarHBondContact O-N 3.1Å; V1491-D1494 PolarHBondContact O-N 3.29Å |
| 1495 | T | 85 | Confident | 81.6 | Confident | 97 Ų | 97 | 90.6 Ų | 90.6 | 60% | 0.595 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -88.7 | -36.6 | -179.4 | -47.2 | 0 | 0 | 0 | 0 | 113.1 | V1491 R1493 P1497 | V1491-T1495 VanDerWaalsContact O-CB 3.28Å; V1491-T1495 WeakPolarHBondContact O-CB 3.38Å; V1491-T1495 PolarHBondContact O-N 2.83Å; V1491-T1495 PolarHBondContact O-OG1 2.76Å; R1493-T1495 VanDerWaalsContact C-N 3.32Å; T1495-P1497 VanDerWaalsContact C-CD 3.47Å |
| 1496 | L | 85.1 | Confident | 81.9 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | trans | -128.7 | 61.3 | -175.6 | -64 | 174.4 | 0 | 0 | 0 | 112 | I1492 H1498 A1499 L1501 | I1492-L1496 PolarHBondContact O-N 3.28Å; L1496-H1498 PolarHBondContact O-N 3.34Å; L1496-A1499 HydrophobicContact CB-CB 4Å; L1496-A1499 PolarHBondContact O-N 3.42Å; L1496-A1499 VanDerWaalsContact O-N 3.14Å; L1496-L1501 HydrophobicContact CD1-CD1 4.29Å | ||
| 1497 | P | 78.5 | Confident | 82.2 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.5 | -170.5 | 26.6 | -37.1 | 0 | 0 | 0 | 115.4 | R1493 T1495 | R1493-P1497 VanDerWaalsContact O-CA 3.3Å; R1493-P1497 WeakPolarHBondContact O-CA 3.47Å; T1495-P1497 VanDerWaalsContact C-CD 3.47Å |
| 1498 | H | 82.1 | Confident | 82.5 | Confident | 188 Ų | 188 | 91.4 Ų | 91.4 | 87% | 0.87 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -0.1 | -178.9 | -57.2 | -32.2 | 0 | 0 | 0 | 113.7 | L1496 | L1496-H1498 PolarHBondContact O-N 3.34Š|
| 1499 | A | 78.6 | Confident | 82.7 | Confident | 51 Ų | 51 | 93.4 Ų | 93.4 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | trans | -94.2 | 137.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1496 | L1496-A1499 HydrophobicContact CB-CB 4Å; L1496-A1499 PolarHBondContact O-N 3.42Å; L1496-A1499 VanDerWaalsContact O-N 3.14Å | ||
| 1500 | R | 78.4 | Confident | 82.8 | Confident | 249 Ų | 249 | 92.3 Ų | 92.3 | 94% | 0.94 | 47% | 0.469 | S | S | * | . | trans | -97.7 | 108.3 | 165.5 | -76.1 | -174.5 | 172.8 | -172.9 | -2.2 | 109.3 | ||||
| 1501 | L | 80.6 | Confident | 82.7 | Confident | 41 Ų | 41 | 90.2 Ų | 90.2 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | trans | -98.7 | 141.5 | 174.4 | -59 | 168.7 | 0 | 0 | 0 | 110.1 | I1492 L1496 F1505 R1506 | I1492-L1501 HydrophobicContact CG2-CD1 3.65Å; L1496-L1501 HydrophobicContact CD1-CD1 4.29Å; L1501-F1505 HydrophobicContact CB-CD1 4.05Å; L1501-F1505 HydrophobicContact CD1-CD1 3.84Å; L1501-F1505 HydrophobicContact CD1-CE1 3.81Å; L1501-F1505 HydrophobicContact CD2-CD1 3.89Å; L1501-F1505 HydrophobicContact CD2-CE1 4.04Å; L1501-F1505 HydrophobicContact CD2-CG 4.4Å; L1501-F1505 HydrophobicContact CG-CD1 4.14Å; L1501-F1505 HydrophobicContact CG-CE1 4.42Å; L1501-R1506 PolarHBondContact O-NE 2.69Å; L1501-R1506 PolarHBondContact O-NH2 3.45Å | ||
| 1502 | S | 85.1 | Confident | 82.8 | Confident | 56 Ų | 56 | 89.2 Ų | 89.2 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | trans | -63.7 | 176.4 | 177.3 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | D1504 F1505 R1506 | S1502-D1504 WeakPolarHBondContact CB-OD2 3.26Å; S1502-D1504 PolarHBondContact OG-OD2 2.9Å; S1502-F1505 PolarHBondContact OG-N 3.5Å; S1502-F1505 VanDerWaalsContact OG-N 3.17Å; S1502-R1506 VanDerWaalsContact O-CD 3.29Å; S1502-R1506 WeakPolarHBondContact O-CD 3.12Å; S1502-R1506 VanDerWaalsContact O-CG 3.29Å; S1502-R1506 WeakPolarHBondContact O-CG 3.21Å; S1502-R1506 PolarHBondContact O-NE 2.92Å; S1502-R1506 VanDerWaalsContact O-NE 3.1Å | ||
| 1503 | G | 82.1 | Confident | 82.9 | Confident | 38 Ų | 38 | 90 Ų | 90 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -60.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F1505 R1506 D1507 | G1503-F1505 VanDerWaalsContact C-N 3.25Å; G1503-F1505 PolarHBondContact O-N 3.16Å; G1503-R1506 WeakPolarHBondContact O-CA 3.49Å; G1503-R1506 VanDerWaalsContact O-CB 3.29Å; G1503-R1506 WeakPolarHBondContact O-CB 3.37Å; G1503-R1506 PolarHBondContact O-N 2.91Å; G1503-D1507 PolarHBondContact O-N 3.49Å |
| 1504 | D | 83.5 | Confident | 82.8 | Confident | 123 Ų | 123 | 84 Ų | 84 | 66% | 0.658 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -46.7 | -38.1 | 178.6 | 10.5 | -66.6 | 0 | 0 | 0 | 114.4 | S1502 M1508 | S1502-D1504 WeakPolarHBondContact CB-OD2 3.26Å; S1502-D1504 PolarHBondContact OG-OD2 2.9Å; D1504-M1508 VanDerWaalsContact O-CB 3.24Å; D1504-M1508 WeakPolarHBondContact O-CB 3.48Å; D1504-M1508 PolarHBondContact O-N 2.85Å |
| 1505 | F | 85.4 | Confident | 82.6 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 173.2 | -178.6 | -89.1 | 0 | 0 | 0 | 113.3 | L1501 S1502 G1503 L1509 | L1501-F1505 HydrophobicContact CB-CD1 4.05Å; L1501-F1505 HydrophobicContact CD1-CD1 3.84Å; L1501-F1505 HydrophobicContact CD1-CE1 3.81Å; L1501-F1505 HydrophobicContact CD2-CD1 3.89Å; L1501-F1505 HydrophobicContact CD2-CE1 4.04Å; L1501-F1505 HydrophobicContact CD2-CG 4.4Å; L1501-F1505 HydrophobicContact CG-CD1 4.14Å; L1501-F1505 HydrophobicContact CG-CE1 4.42Å; S1502-F1505 PolarHBondContact OG-N 3.5Å; S1502-F1505 VanDerWaalsContact OG-N 3.17Å; G1503-F1505 VanDerWaalsContact C-N 3.25Å; G1503-F1505 PolarHBondContact O-N 3.16Å; F1505-L1509 VanDerWaalsContact O-CB 3.31Å; F1505-L1509 WeakPolarHBondContact O-CB 3.49Å; F1505-L1509 PolarHBondContact O-N 3.08Å |
| 1506 | R | 83.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 28% | 0.275 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 177.9 | -59.5 | 162.5 | -166.8 | -113 | 0.4 | 111.1 | N1489 I1492 L1501 S1502 G1503 L1509 H1510 | N1489-R1506 PolarHBondContact OD1-NH1 2.73Å; I1492-R1506 HydrophobicContact CD1-CB 4.45Å; I1492-R1506 HydrophobicContact CD1-CG 4.1Å; L1501-R1506 PolarHBondContact O-NE 2.69Å; L1501-R1506 PolarHBondContact O-NH2 3.45Å; S1502-R1506 VanDerWaalsContact O-CD 3.29Å; S1502-R1506 WeakPolarHBondContact O-CD 3.12Å; S1502-R1506 VanDerWaalsContact O-CG 3.29Å; S1502-R1506 WeakPolarHBondContact O-CG 3.21Å; S1502-R1506 PolarHBondContact O-NE 2.92Å; S1502-R1506 VanDerWaalsContact O-NE 3.1Å; G1503-R1506 WeakPolarHBondContact O-CA 3.49Å; G1503-R1506 VanDerWaalsContact O-CB 3.29Å; G1503-R1506 WeakPolarHBondContact O-CB 3.37Å; G1503-R1506 PolarHBondContact O-N 2.91Å; R1506-L1509 PolarHBondContact O-N 2.76Å; R1506-H1510 WeakPolarHBondContact O-CB 3.15Å; R1506-H1510 PolarHBondContact O-N 3.25Å |
| 1507 | D | 81.8 | Confident | 82.6 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 177 | -64.6 | -56.8 | 0 | 0 | 0 | 110.7 | R1485 G1503 L1509 H1510 E1511 | R1485-D1507 IonicContact CZ-OD1 3.96Å; R1485-D1507 IonicContact NE-OD1 3.53Å; R1485-D1507 IonicContact NH2-OD1 3.75Å; R1485-D1507 PolarHBondContact NH2-OD1 3.28Å; G1503-D1507 PolarHBondContact O-N 3.49Å; D1507-L1509 VanDerWaalsContact C-N 3.33Å; D1507-L1509 PolarHBondContact O-N 2.86Å; D1507-H1510 WeakPolarHBondContact O-CB 3.5Å; D1507-H1510 PolarHBondContact O-N 2.81Å; D1507-H1510 VanDerWaalsContact O-N 3.15Å; D1507-E1511 PolarHBondContact O-N 3.04Å |
| 1508 | M | 84.5 | Confident | 82.7 | Confident | 124 Ų | 124 | 78.8 Ų | 78.8 | 61% | 0.611 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.3 | -38.4 | 170.2 | -171.7 | 67.7 | -167.4 | 0 | 0 | 112.4 | D1504 C1512 | D1504-M1508 VanDerWaalsContact O-CB 3.24Å; D1504-M1508 WeakPolarHBondContact O-CB 3.48Å; D1504-M1508 PolarHBondContact O-N 2.85Å; M1508-C1512 WeakPolarHBondContact O-CB 2.96Å; M1508-C1512 PolarHBondContact O-N 3.31Å; M1508-C1512 PolarHBondContact O-SG 3.48Å |
| 1509 | L | 85.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 30% | 0.304 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 174.5 | -165.8 | 78.7 | 0 | 0 | 0 | 111.7 | L1488 I1492 F1505 R1506 D1507 C1512 C1513 | L1488-L1509 HydrophobicContact CD1-CD2 4Å; L1488-L1509 HydrophobicContact CD2-CD2 4.38Å; L1488-L1509 HydrophobicContact CG-CD2 4.31Å; I1492-L1509 HydrophobicContact CD1-CD2 3.78Å; I1492-L1509 HydrophobicContact CG1-CD2 3.84Å; F1505-L1509 VanDerWaalsContact O-CB 3.31Å; F1505-L1509 WeakPolarHBondContact O-CB 3.49Å; F1505-L1509 PolarHBondContact O-N 3.08Å; R1506-L1509 PolarHBondContact O-N 2.76Å; D1507-L1509 VanDerWaalsContact C-N 3.33Å; D1507-L1509 PolarHBondContact O-N 2.86Å; L1509-C1512 PolarHBondContact O-N 3.48Å; L1509-C1513 PolarHBondContact O-N 3.21Å; L1509-C1513 PolarHBondContact O-SG 2.93Å; L1509-C1513 VanDerWaalsContact O-SG 3.32Å |
| 1510 | H | 82.5 | Confident | 83.2 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 177 | -174.5 | -131.2 | 0 | 0 | 0 | 111.2 | I1483 L1488 R1506 D1507 C1513 L1514 | I1483-H1510 PolarHBondContact O-CD2 3.09Å; I1483-H1510 PolarHBondContact O-NE2 2.96Å; L1488-H1510 VanDerWaalsContact CD2-CA 3.47Å; L1488-H1510 HydrophobicContact CD2-CB 3.63Å; R1506-H1510 WeakPolarHBondContact O-CB 3.15Å; R1506-H1510 PolarHBondContact O-N 3.25Å; D1507-H1510 WeakPolarHBondContact O-CB 3.5Å; D1507-H1510 PolarHBondContact O-N 2.81Å; D1507-H1510 VanDerWaalsContact O-N 3.15Å; H1510-C1513 WeakPolarHBondContact O-CB 3.4Å; H1510-C1513 PolarHBondContact O-N 3.34Å; H1510-L1514 PolarHBondContact O-N 3.17Å |
| 1511 | E | 81.1 | Confident | 83.6 | Confident | 78 Ų | 78 | 64.9 Ų | 64.9 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 174.3 | -176.1 | 54.2 | -152.4 | 0 | 0 | 111.9 | D1507 C1513 L1514 Q1515 | D1507-E1511 PolarHBondContact O-N 3.04Å; E1511-C1513 VanDerWaalsContact C-N 3.25Å; E1511-C1513 PolarHBondContact O-N 2.96Å; E1511-L1514 WeakPolarHBondContact O-CB 3.27Å; E1511-L1514 PolarHBondContact O-N 3.38Å; E1511-L1514 VanDerWaalsContact O-N 3.13Å; E1511-Q1515 HydrophobicContact CG-CG 4.41Å; E1511-Q1515 WeakPolarHBondContact O-CG 3.33Å; E1511-Q1515 PolarHBondContact O-N 3.45Å; E1511-Q1515 VanDerWaalsContact OE1-CG 3.26Å; E1511-Q1515 WeakPolarHBondContact OE1-CG 3.41Å; E1511-Q1515 PolarHBondContact OE1-NE2 3.03Å |
| 1512 | C | 84.6 | Confident | 83.8 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 45% | 0.446 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.9 | -38 | 173 | -76.9 | 0 | 0 | 0 | 0 | 112.8 | M1508 L1509 F1516 | M1508-C1512 WeakPolarHBondContact O-CB 2.96Å; M1508-C1512 PolarHBondContact O-N 3.31Å; M1508-C1512 PolarHBondContact O-SG 3.48Å; L1509-C1512 PolarHBondContact O-N 3.48Å; C1512-F1516 WeakPolarHBondContact O-CB 3.37Å; C1512-F1516 PolarHBondContact O-N 3.05Å |
| 1513 | C | 84.7 | Confident | 84 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 175.1 | -73.1 | 0 | 0 | 0 | 0 | 113 | I1483 L1509 H1510 E1511 V1517 | I1483-C1513 HydrophobicContact CD1-CB 3.97Å; L1509-C1513 PolarHBondContact O-N 3.21Å; L1509-C1513 PolarHBondContact O-SG 2.93Å; L1509-C1513 VanDerWaalsContact O-SG 3.32Å; H1510-C1513 WeakPolarHBondContact O-CB 3.4Å; H1510-C1513 PolarHBondContact O-N 3.34Å; E1511-C1513 VanDerWaalsContact C-N 3.25Å; E1511-C1513 PolarHBondContact O-N 2.96Å; C1513-V1517 WeakPolarHBondContact O-CG2 3.26Å; C1513-V1517 PolarHBondContact O-N 2.84Å; C1513-V1517 VanDerWaalsContact O-N 3.16Å |
| 1514 | L | 80.2 | Confident | 84.4 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 172.6 | -94.9 | 153.9 | 0 | 0 | 0 | 111 | E1480 H1510 E1511 F1516 V1517 K1518 | E1480-L1514 HydrophobicContact CB-CD2 4.35Å; H1510-L1514 PolarHBondContact O-N 3.17Å; E1511-L1514 WeakPolarHBondContact O-CB 3.27Å; E1511-L1514 PolarHBondContact O-N 3.38Å; E1511-L1514 VanDerWaalsContact O-N 3.13Å; L1514-F1516 PolarHBondContact O-N 3.31Å; L1514-V1517 PolarHBondContact O-N 3.2Å; L1514-V1517 VanDerWaalsContact O-N 3.16Å; L1514-K1518 WeakPolarHBondContact O-CG 3.45Å; L1514-K1518 PolarHBondContact O-N 3.06Å |
| 1515 | Q | 81.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.9 | -66.5 | -64.9 | -23.3 | 0 | 0 | 112.2 | E1511 V1517 K1518 Y1519 | E1511-Q1515 HydrophobicContact CG-CG 4.41Å; E1511-Q1515 WeakPolarHBondContact O-CG 3.33Å; E1511-Q1515 PolarHBondContact O-N 3.45Å; E1511-Q1515 VanDerWaalsContact OE1-CG 3.26Å; E1511-Q1515 WeakPolarHBondContact OE1-CG 3.41Å; E1511-Q1515 PolarHBondContact OE1-NE2 3.03Å; Q1515-V1517 VanDerWaalsContact C-N 3.33Å; Q1515-V1517 PolarHBondContact O-N 3.26Å; Q1515-K1518 WeakPolarHBondContact O-CB 3.41Å; Q1515-K1518 PolarHBondContact O-N 3.06Å; Q1515-Y1519 HydrophobicContact CB-CE2 4.32Å; Q1515-Y1519 WeakPolarHBondContact O-CD2 3.49Å; Q1515-Y1519 PolarHBondContact O-N 3.27Å |
| 1516 | F | 85.7 | Confident | 84.7 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 31% | 0.307 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 172.9 | 174.3 | -96.6 | 0 | 0 | 0 | 112.2 | C1512 L1514 K1518 Y1519 V1520 F1550 Y1554 | C1512-F1516 WeakPolarHBondContact O-CB 3.37Å; C1512-F1516 PolarHBondContact O-N 3.05Å; L1514-F1516 PolarHBondContact O-N 3.31Å; F1516-K1518 PolarHBondContact O-N 3.16Å; F1516-Y1519 PolarHBondContact O-N 3.47Å; F1516-V1520 HydrophobicContact CD1-CG2 4.31Å; F1516-V1520 HydrophobicContact CD2-CG2 4.41Å; F1516-V1520 HydrophobicContact CE1-CG2 3.89Å; F1516-V1520 HydrophobicContact CE2-CG2 4Å; F1516-V1520 HydrophobicContact CZ-CG2 3.73Å; F1516-V1520 VanDerWaalsContact O-CG2 3.32Å; F1516-V1520 WeakPolarHBondContact O-CG2 3.29Å; F1516-V1520 PolarHBondContact O-N 3.39Å; F1516-F1550 HydrophobicContact CD2-CE1 4.11Å; F1516-F1550 HydrophobicContact CD2-CE2 4.17Å; F1516-F1550 AromaticContact CD2-CZ 3.71Å; F1516-F1550 HydrophobicContact CD2-CZ 3.71Å; F1516-F1550 HydrophobicContact CE2-CD1 4.17Å; F1516-F1550 HydrophobicContact CE2-CD2 4.12Å; F1516-F1550 AromaticContact CE2-CE1 3.8Å; F1516-F1550 HydrophobicContact CE2-CE1 3.8Å; F1516-F1550 AromaticContact CE2-CE2 3.75Å; F1516-F1550 HydrophobicContact CE2-CE2 3.75Å; F1516-F1550 HydrophobicContact CE2-CG 4.33Å; F1516-F1550 AromaticContact CE2-CZ 3.58Å; F1516-F1550 HydrophobicContact CE2-CZ 3.58Å; F1516-Y1554 HydrophobicContact CE2-CD1 4.49Å; F1516-Y1554 HydrophobicContact CE2-CE1 4.35Å; F1516-Y1554 HydrophobicContact CZ-CD1 4.15Å; F1516-Y1554 HydrophobicContact CZ-CE1 4.29Å |
| 1517 | V | 83.9 | Confident | 85 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | I1483 C1513 L1514 Q1515 G1521 | I1483-V1517 HydrophobicContact CD1-CG2 4.49Å; C1513-V1517 WeakPolarHBondContact O-CG2 3.26Å; C1513-V1517 PolarHBondContact O-N 2.84Å; C1513-V1517 VanDerWaalsContact O-N 3.16Å; L1514-V1517 PolarHBondContact O-N 3.2Å; L1514-V1517 VanDerWaalsContact O-N 3.16Å; Q1515-V1517 VanDerWaalsContact C-N 3.33Å; Q1515-V1517 PolarHBondContact O-N 3.26Å; V1517-G1521 PolarHBondContact O-N 2.84Å |
| 1518 | K | 80.3 | Confident | 85.4 | Confident | 60 Ų | 60 | 58 Ų | 58 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.5 | -54.3 | 173.6 | -69.4 | 171.5 | -178.4 | 174.9 | 0 | 111.4 | E1480 L1514 Q1515 F1516 V1520 G1521 T1522 | E1480-K1518 VanDerWaalsContact CD-CE 3.46Å; E1480-K1518 WeakPolarHBondContact OE1-CE 3.33Å; E1480-K1518 IonicContact OE1-NZ 3.74Å; E1480-K1518 WeakPolarHBondContact OE2-CE 3.44Å; E1480-K1518 IonicContact OE2-NZ 3.58Å; E1480-K1518 PolarHBondContact OE2-NZ 2.99Å; L1514-K1518 WeakPolarHBondContact O-CG 3.45Å; L1514-K1518 PolarHBondContact O-N 3.06Å; Q1515-K1518 WeakPolarHBondContact O-CB 3.41Å; Q1515-K1518 PolarHBondContact O-N 3.06Å; F1516-K1518 PolarHBondContact O-N 3.16Å; K1518-V1520 PolarHBondContact O-N 2.84Å; K1518-G1521 PolarHBondContact O-N 3.09Å; K1518-G1521 VanDerWaalsContact O-N 3.1Å; K1518-T1522 PolarHBondContact O-N 2.8Å; K1518-T1522 PolarHBondContact O-OG1 3.23Å; K1518-T1522 VanDerWaalsContact O-OG1 3.11Å |
| 1519 | Y | 84.5 | Confident | 85.4 | Confident | 148 Ų | 148 | 56.4 Ų | 56.4 | 58% | 0.58 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | -179 | -73.4 | -65.5 | 0 | 0 | 0 | 112.7 | Q1515 F1516 G1521 T1522 E1523 | Q1515-Y1519 HydrophobicContact CB-CE2 4.32Å; Q1515-Y1519 WeakPolarHBondContact O-CD2 3.49Å; Q1515-Y1519 PolarHBondContact O-N 3.27Å; F1516-Y1519 PolarHBondContact O-N 3.47Å; Y1519-G1521 VanDerWaalsContact C-N 3.33Å; Y1519-G1521 PolarHBondContact O-N 2.81Å; Y1519-T1522 PolarHBondContact O-N 3.35Å; Y1519-E1523 PolarHBondContact O-N 3.23Å; Y1519-E1523 VanDerWaalsContact O-N 3.09Å |
| 1520 | V | 87.5 | Confident | 85.5 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | F1516 K1518 A1524 L1541 V1545 M1548 | F1516-V1520 HydrophobicContact CD1-CG2 4.31Å; F1516-V1520 HydrophobicContact CD2-CG2 4.41Å; F1516-V1520 HydrophobicContact CE1-CG2 3.89Å; F1516-V1520 HydrophobicContact CE2-CG2 4Å; F1516-V1520 HydrophobicContact CZ-CG2 3.73Å; F1516-V1520 VanDerWaalsContact O-CG2 3.32Å; F1516-V1520 WeakPolarHBondContact O-CG2 3.29Å; F1516-V1520 PolarHBondContact O-N 3.39Å; K1518-V1520 PolarHBondContact O-N 2.84Å; V1520-A1524 WeakPolarHBondContact O-CB 3.22Å; V1520-A1524 PolarHBondContact O-N 2.67Å; V1520-L1541 HydrophobicContact CG1-CD2 3.84Å; V1520-V1545 HydrophobicContact CG1-CG2 4.21Å; V1520-V1545 HydrophobicContact CG2-CG2 4.19Å; V1520-M1548 HydrophobicContact CB-CE 4.06Å; V1520-M1548 HydrophobicContact CG2-CE 3.48Å; V1520-M1548 VanDerWaalsContact CG2-CE 3.48Å |
| 1521 | G | 86.1 | Confident | 85.7 | Confident | 32 Ų | 32 | 62 Ų | 62 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1517 K1518 Y1519 N1525 | V1517-G1521 PolarHBondContact O-N 2.84Å; K1518-G1521 PolarHBondContact O-N 3.09Å; K1518-G1521 VanDerWaalsContact O-N 3.1Å; Y1519-G1521 VanDerWaalsContact C-N 3.33Å; Y1519-G1521 PolarHBondContact O-N 2.81Å; G1521-N1525 WeakPolarHBondContact O-CB 3.46Å; G1521-N1525 PolarHBondContact O-N 2.75Å |
| 1522 | T | 86.5 | Confident | 85.8 | Confident | 100 Ų | 100 | 67 Ų | 67 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.5 | -47.1 | 178.8 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | K1518 Y1519 N1525 R1526 | K1518-T1522 PolarHBondContact O-N 2.8Å; K1518-T1522 PolarHBondContact O-OG1 3.23Å; K1518-T1522 VanDerWaalsContact O-OG1 3.11Å; Y1519-T1522 PolarHBondContact O-N 3.35Å; T1522-N1525 PolarHBondContact O-N 2.79Å; T1522-R1526 PolarHBondContact O-N 2.89Å |
| 1523 | E | 88.9 | Confident | 85.6 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 179.4 | 178.8 | 65.5 | 179.4 | 0 | 0 | 111.8 | Y1519 N1525 R1526 I1527 A1544 N1547 M1548 | Y1519-E1523 PolarHBondContact O-N 3.23Å; Y1519-E1523 VanDerWaalsContact O-N 3.09Å; E1523-N1525 VanDerWaalsContact C-N 3.28Å; E1523-N1525 PolarHBondContact O-N 2.84Å; E1523-R1526 VanDerWaalsContact CD-NH2 3.28Å; E1523-R1526 WeakPolarHBondContact O-CB 3.27Å; E1523-R1526 PolarHBondContact O-N 2.96Å; E1523-R1526 IonicContact OE1-CZ 2.69Å; E1523-R1526 IonicContact OE1-NE 2.67Å; E1523-R1526 IonicContact OE1-NH2 2.74Å; E1523-R1526 PolarHBondContact OE1-NH2 3.12Å; E1523-R1526 IonicContact OE2-CZ 3.81Å; E1523-R1526 VanDerWaalsContact OE2-CZ 3.3Å; E1523-R1526 IonicContact OE2-NE 3.61Å; E1523-R1526 PolarHBondContact OE2-NE 2.83Å; E1523-R1526 IonicContact OE2-NH2 3.01Å; E1523-R1526 PolarHBondContact OE2-NH2 3.27Å; E1523-I1527 HydrophobicContact CG-CD1 4.1Å; E1523-I1527 WeakPolarHBondContact O-CD1 3.42Å; E1523-I1527 WeakPolarHBondContact O-CG1 3.46Å; E1523-I1527 PolarHBondContact O-N 3.15Å; E1523-A1544 HydrophobicContact CB-CB 3.9Å; E1523-A1544 HydrophobicContact CG-CB 3.69Å; E1523-N1547 HydrophobicContact CG-CB 4.25Å; E1523-N1547 WeakPolarHBondContact OE1-CB 3.49Å; E1523-N1547 PolarHBondContact OE1-ND2 3.41Å; E1523-M1548 HydrophobicContact CB-SD 4.35Å; E1523-M1548 HydrophobicContact CG-CG 4.37Å |
| 1524 | A | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1520 C1528 I1536 H1540 L1541 A1544 | V1520-A1524 WeakPolarHBondContact O-CB 3.22Å; V1520-A1524 PolarHBondContact O-N 2.67Å; A1524-C1528 WeakPolarHBondContact O-CB 3.25Å; A1524-C1528 PolarHBondContact O-N 3.42Å; A1524-I1536 HydrophobicContact CB-CG2 4.01Å; A1524-H1540 HydrophobicContact CB-CB 4.34Å; A1524-H1540 PolarHBondContact O-CE1 3.08Å; A1524-L1541 HydrophobicContact CB-CD2 3.75Å; A1524-L1541 HydrophobicContact CB-CG 4.29Å; A1524-A1544 HydrophobicContact CB-CB 3.84Å |
| 1525 | N | 87.5 | Confident | 85.1 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.4 | -40.4 | 172.2 | -167.4 | 46.1 | 0 | 0 | 0 | 111.5 | G1521 T1522 E1523 C1528 V1529 I1536 | G1521-N1525 WeakPolarHBondContact O-CB 3.46Å; G1521-N1525 PolarHBondContact O-N 2.75Å; T1522-N1525 PolarHBondContact O-N 2.79Å; E1523-N1525 VanDerWaalsContact C-N 3.28Å; E1523-N1525 PolarHBondContact O-N 2.84Å; N1525-C1528 WeakPolarHBondContact O-CB 3.43Å; N1525-C1528 PolarHBondContact O-N 3.14Å; N1525-V1529 WeakPolarHBondContact O-CG2 3.43Å; N1525-V1529 PolarHBondContact O-N 3.11Å; N1525-I1536 HydrophobicContact CB-CD1 3.84Å |
| 1526 | R | 88.6 | Confident | 85.2 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.4 | -51.7 | 173.9 | -170.8 | 172.2 | 72.6 | 95.4 | -5.3 | 111.2 | T1522 E1523 C1528 V1529 D1530 | T1522-R1526 PolarHBondContact O-N 2.89Å; E1523-R1526 VanDerWaalsContact CD-NH2 3.28Å; E1523-R1526 WeakPolarHBondContact O-CB 3.27Å; E1523-R1526 PolarHBondContact O-N 2.96Å; E1523-R1526 IonicContact OE1-CZ 2.69Å; E1523-R1526 IonicContact OE1-NE 2.67Å; E1523-R1526 IonicContact OE1-NH2 2.74Å; E1523-R1526 PolarHBondContact OE1-NH2 3.12Å; E1523-R1526 IonicContact OE2-CZ 3.81Å; E1523-R1526 VanDerWaalsContact OE2-CZ 3.3Å; E1523-R1526 IonicContact OE2-NE 3.61Å; E1523-R1526 PolarHBondContact OE2-NE 2.83Å; E1523-R1526 IonicContact OE2-NH2 3.01Å; E1523-R1526 PolarHBondContact OE2-NH2 3.27Å; R1526-C1528 VanDerWaalsContact C-N 3.28Å; R1526-C1528 PolarHBondContact O-N 3.43Å; R1526-V1529 PolarHBondContact O-N 3.27Å; R1526-V1529 VanDerWaalsContact O-N 3.13Å; R1526-D1530 IonicContact NH1-OD2 2.74Å; R1526-D1530 VanDerWaalsContact O-CG 3.28Å; R1526-D1530 PolarHBondContact O-N 3.37Å |
| 1527 | I | 89.1 | Confident | 85.2 | Confident | 7 Ų | 7 | 80.9 Ų | 80.9 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 175.4 | -64.3 | 158.9 | 0 | 0 | 0 | 111.5 | E1523 V1529 D1530 E1531 H1540 Q1543 A1544 | E1523-I1527 HydrophobicContact CG-CD1 4.1Å; E1523-I1527 WeakPolarHBondContact O-CD1 3.42Å; E1523-I1527 WeakPolarHBondContact O-CG1 3.46Å; E1523-I1527 PolarHBondContact O-N 3.15Å; I1527-V1529 PolarHBondContact O-N 3.06Å; I1527-D1530 PolarHBondContact O-N 2.92Å; I1527-E1531 WeakPolarHBondContact O-CB 3.39Å; I1527-E1531 WeakPolarHBondContact O-CG 3.43Å; I1527-E1531 PolarHBondContact O-N 2.98Å; I1527-H1540 HydrophobicContact CB-CB 4.35Å; I1527-H1540 HydrophobicContact CG2-CB 4.03Å; I1527-Q1543 HydrophobicContact CD1-CB 4.01Å; I1527-Q1543 HydrophobicContact CD1-CG 3.9Å; I1527-A1544 HydrophobicContact CD1-CB 4Å |
| 1528 | C | 89.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 177.4 | -166.5 | 0 | 0 | 0 | 0 | 113 | A1524 N1525 R1526 Q1532 K1533 T1535 I1536 H1540 | A1524-C1528 WeakPolarHBondContact O-CB 3.25Å; A1524-C1528 PolarHBondContact O-N 3.42Å; N1525-C1528 WeakPolarHBondContact O-CB 3.43Å; N1525-C1528 PolarHBondContact O-N 3.14Å; R1526-C1528 VanDerWaalsContact C-N 3.28Å; R1526-C1528 PolarHBondContact O-N 3.43Å; C1528-Q1532 PolarHBondContact O-N 2.67Å; C1528-K1533 PolarHBondContact O-N 3.11Å; C1528-K1533 PolarHBondContact SG-O 3.25Å; C1528-T1535 PolarHBondContact SG-O 2.86Å; C1528-I1536 HydrophobicContact CB-CG1 4Å; C1528-H1540 WeakPolarHBondContact CA-CE1 3.48Å; C1528-H1540 WeakPolarHBondContact CB-CE1 3.47Å; C1528-H1540 WeakPolarHBondContact CB-ND1 3.34Å; C1528-H1540 PolarHBondContact SG-CE1 3.36Å; C1528-H1540 PolarHBondContact SG-NE2 3.13Å |
| 1529 | V | 84.9 | Confident | 85.6 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.9 | -42.5 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 111 | N1525 R1526 I1527 E1531 Q1532 | N1525-V1529 WeakPolarHBondContact O-CG2 3.43Å; N1525-V1529 PolarHBondContact O-N 3.11Å; R1526-V1529 PolarHBondContact O-N 3.27Å; R1526-V1529 VanDerWaalsContact O-N 3.13Å; I1527-V1529 PolarHBondContact O-N 3.06Å; V1529-E1531 VanDerWaalsContact C-N 3.25Å; V1529-E1531 PolarHBondContact O-N 3.4Å; V1529-Q1532 WeakPolarHBondContact O-CA 3.35Å; V1529-Q1532 PolarHBondContact O-N 3.36Å |
| 1530 | D | 86.9 | Confident | 85.8 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.9 | -34.3 | 176.3 | -68.3 | -22 | 0 | 0 | 0 | 111.6 | R1526 I1527 Q1532 | R1526-D1530 IonicContact NH1-OD2 2.74Å; R1526-D1530 VanDerWaalsContact O-CG 3.28Å; R1526-D1530 PolarHBondContact O-N 3.37Å; I1527-D1530 PolarHBondContact O-N 2.92Å; D1530-Q1532 VanDerWaalsContact C-N 3.29Å; D1530-Q1532 PolarHBondContact O-N 3.23Å |
| 1531 | E | 87.9 | Confident | 85.9 | Confident | 81 Ų | 81 | 80.2 Ų | 80.2 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.6 | 172.1 | -69.2 | -167.9 | 163.2 | 0 | 0 | 114.8 | I1527 V1529 K1533 H1540 | I1527-E1531 WeakPolarHBondContact O-CB 3.39Å; I1527-E1531 WeakPolarHBondContact O-CG 3.43Å; I1527-E1531 PolarHBondContact O-N 2.98Å; V1529-E1531 VanDerWaalsContact C-N 3.25Å; V1529-E1531 PolarHBondContact O-N 3.4Å; E1531-K1533 HydrophobicContact CB-CD 4.12Å; E1531-K1533 HydrophobicContact CB-CG 4.34Å; E1531-K1533 PolarHBondContact O-N 2.87Å; E1531-K1533 WeakPolarHBondContact OE2-CD 3.44Å; E1531-K1533 VanDerWaalsContact OE2-CE 3.28Å; E1531-K1533 WeakPolarHBondContact OE2-CE 3.2Å; E1531-K1533 IonicContact OE2-NZ 2.75Å; E1531-K1533 PolarHBondContact OE2-NZ 2.78Å; E1531-H1540 IonicContact OE2-CD2 3.84Å |
| 1532 | Q | 81.7 | Confident | 86.1 | Confident | 184 Ų | 184 | 80.2 Ų | 80.2 | 86% | 0.86 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 26.3 | -175.9 | -57.8 | -168.1 | -12.3 | 0 | 0 | 115.1 | C1528 V1529 D1530 | C1528-Q1532 PolarHBondContact O-N 2.67Å; V1529-Q1532 WeakPolarHBondContact O-CA 3.35Å; V1529-Q1532 PolarHBondContact O-N 3.36Å; D1530-Q1532 VanDerWaalsContact C-N 3.29Å; D1530-Q1532 PolarHBondContact O-N 3.23Å |
| 1533 | K | 81 | Confident | 86 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | trans | -93.7 | 139.6 | 178.7 | -71.5 | 169 | -175.8 | 169.1 | 0 | 111 | C1528 E1531 H1540 | C1528-K1533 PolarHBondContact O-N 3.11Å; C1528-K1533 PolarHBondContact SG-O 3.25Å; E1531-K1533 HydrophobicContact CB-CD 4.12Å; E1531-K1533 HydrophobicContact CB-CG 4.34Å; E1531-K1533 PolarHBondContact O-N 2.87Å; E1531-K1533 WeakPolarHBondContact OE2-CD 3.44Å; E1531-K1533 VanDerWaalsContact OE2-CE 3.28Å; E1531-K1533 WeakPolarHBondContact OE2-CE 3.2Å; E1531-K1533 IonicContact OE2-NZ 2.75Å; E1531-K1533 PolarHBondContact OE2-NZ 2.78Å; K1533-H1540 VanDerWaalsContact CB-NE2 3.26Å; K1533-H1540 WeakPolarHBondContact CB-NE2 3.36Å; K1533-H1540 WeakPolarHBondContact CD-NE2 3.43Å | ||
| 1534 | K | 76.7 | Confident | 86.1 | Confident | 217 Ų | 217 | 78.1 Ų | 78.1 | 94% | 0.943 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -83.4 | -5.1 | 176.8 | -64.7 | -170.5 | 177.1 | -173.5 | 0 | 114.6 | ||
| 1535 | T | 78.1 | Confident | 86 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -140.2 | 125.8 | -172.4 | -48.9 | 0 | 0 | 0 | 0 | 110.9 | C1528 N1537 H1540 | C1528-T1535 PolarHBondContact SG-O 2.86Å; T1535-N1537 PolarHBondContact O-N 3.11Å; T1535-H1540 PolarHBondContact O-NE2 3.3Å |
| 1536 | I | 83.5 | Confident | 85.9 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | trans | -70.2 | 121 | 178.7 | -54.3 | 177.5 | 0 | 0 | 0 | 109.8 | A1524 N1525 C1528 H1540 L1541 | A1524-I1536 HydrophobicContact CB-CG2 4.01Å; N1525-I1536 HydrophobicContact CB-CD1 3.84Å; C1528-I1536 HydrophobicContact CB-CG1 4Å; I1536-H1540 WeakPolarHBondContact CA-CE1 3.4Å; I1536-H1540 HydrophobicContact CG2-CB 4.16Å; I1536-H1540 VanDerWaalsContact CG2-CE1 3.48Å; I1536-H1540 WeakPolarHBondContact CG2-CE1 3.49Å; I1536-L1541 HydrophobicContact CG2-CG 4.37Å | ||
| 1537 | N | 85.4 | Confident | 85.8 | Confident | 71 Ų | 71 | 75 Ų | 75 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | trans | -101.1 | 165.1 | 178.7 | -73 | -35.3 | 0 | 0 | 0 | 112.1 | T1535 E1539 H1540 L1541 | T1535-N1537 PolarHBondContact O-N 3.11Å; N1537-E1539 PolarHBondContact O-N 3.02Å; N1537-E1539 VanDerWaalsContact O-N 3.12Å; N1537-H1540 PolarHBondContact N-CE1 2.76Å; N1537-H1540 PolarHBondContact N-ND1 3.18Å; N1537-H1540 PolarHBondContact O-N 2.96Å; N1537-H1540 VanDerWaalsContact O-N 3.08Å; N1537-L1541 PolarHBondContact O-N 2.97Å | ||
| 1538 | K | 86.4 | Confident | 85.6 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -50 | -34.8 | 173.4 | 58.7 | 173.4 | -178.9 | 177.2 | 0 | 113.9 | L1541 F1542 L1562 | K1538-L1541 PolarHBondContact O-N 3.03Å; K1538-F1542 HydrophobicContact CB-CE2 4.32Å; K1538-F1542 WeakPolarHBondContact O-CD2 3.47Å; K1538-F1542 PolarHBondContact O-N 2.69Å; K1538-F1542 VanDerWaalsContact O-N 3.1Å; K1538-L1562 HydrophobicContact CB-CD2 4.39Å; K1538-L1562 HydrophobicContact CD-CD2 3.75Å |
| 1539 | E | 86.6 | Confident | 85.3 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | -179.8 | -79.7 | 134.1 | -144.6 | 0 | 0 | 111.7 | N1537 L1541 F1542 Q1543 | N1537-E1539 PolarHBondContact O-N 3.02Å; N1537-E1539 VanDerWaalsContact O-N 3.12Å; E1539-L1541 VanDerWaalsContact C-N 3.26Å; E1539-L1541 PolarHBondContact O-N 3.3Å; E1539-F1542 PolarHBondContact O-N 2.82Å; E1539-Q1543 WeakPolarHBondContact O-CB 3.48Å; E1539-Q1543 PolarHBondContact O-N 3.48Å |
| 1540 | H | 89.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.5 | -34.2 | 177.3 | -40.8 | 164.1 | 0 | 0 | 0 | 110.8 | A1524 I1527 C1528 E1531 K1533 T1535 I1536 N1537 A1544 | A1524-H1540 HydrophobicContact CB-CB 4.34Å; A1524-H1540 PolarHBondContact O-CE1 3.08Å; I1527-H1540 HydrophobicContact CB-CB 4.35Å; I1527-H1540 HydrophobicContact CG2-CB 4.03Å; C1528-H1540 WeakPolarHBondContact CA-CE1 3.48Å; C1528-H1540 WeakPolarHBondContact CB-CE1 3.47Å; C1528-H1540 WeakPolarHBondContact CB-ND1 3.34Å; C1528-H1540 PolarHBondContact SG-CE1 3.36Å; C1528-H1540 PolarHBondContact SG-NE2 3.13Å; E1531-H1540 IonicContact OE2-CD2 3.84Å; K1533-H1540 VanDerWaalsContact CB-NE2 3.26Å; K1533-H1540 WeakPolarHBondContact CB-NE2 3.36Å; K1533-H1540 WeakPolarHBondContact CD-NE2 3.43Å; T1535-H1540 PolarHBondContact O-NE2 3.3Å; I1536-H1540 WeakPolarHBondContact CA-CE1 3.4Å; I1536-H1540 HydrophobicContact CG2-CB 4.16Å; I1536-H1540 VanDerWaalsContact CG2-CE1 3.48Å; I1536-H1540 WeakPolarHBondContact CG2-CE1 3.49Å; N1537-H1540 PolarHBondContact N-CE1 2.76Å; N1537-H1540 PolarHBondContact N-ND1 3.18Å; N1537-H1540 PolarHBondContact O-N 2.96Å; N1537-H1540 VanDerWaalsContact O-N 3.08Å; H1540-A1544 VanDerWaalsContact O-CB 3.26Å; H1540-A1544 WeakPolarHBondContact O-CB 3.15Å; H1540-A1544 PolarHBondContact O-N 3.1Å |
| 1541 | L | 88.5 | Confident | 84.7 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 174.3 | -70.4 | 167.9 | 0 | 0 | 0 | 112.4 | V1520 A1524 I1536 N1537 K1538 E1539 Q1543 A1544 V1545 | V1520-L1541 HydrophobicContact CG1-CD2 3.84Å; A1524-L1541 HydrophobicContact CB-CD2 3.75Å; A1524-L1541 HydrophobicContact CB-CG 4.29Å; I1536-L1541 HydrophobicContact CG2-CG 4.37Å; N1537-L1541 PolarHBondContact O-N 2.97Å; K1538-L1541 PolarHBondContact O-N 3.03Å; E1539-L1541 VanDerWaalsContact C-N 3.26Å; E1539-L1541 PolarHBondContact O-N 3.3Å; L1541-Q1543 VanDerWaalsContact C-N 3.33Å; L1541-Q1543 PolarHBondContact O-N 2.73Å; L1541-A1544 PolarHBondContact O-N 3.22Å; L1541-V1545 WeakPolarHBondContact O-CG2 3.24Å; L1541-V1545 PolarHBondContact O-N 2.6Å; L1541-V1545 VanDerWaalsContact O-N 3.08Å |
| 1542 | F | 89.6 | Confident | 84.4 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 175.8 | -69.1 | -54.2 | 0 | 0 | 0 | 112.2 | K1538 E1539 A1546 I1555 R1559 L1562 | K1538-F1542 HydrophobicContact CB-CE2 4.32Å; K1538-F1542 WeakPolarHBondContact O-CD2 3.47Å; K1538-F1542 PolarHBondContact O-N 2.69Å; K1538-F1542 VanDerWaalsContact O-N 3.1Å; E1539-F1542 PolarHBondContact O-N 2.82Å; F1542-A1546 PolarHBondContact O-N 3.36Å; F1542-A1546 VanDerWaalsContact O-N 3.09Å; F1542-I1555 HydrophobicContact CD1-CG2 3.93Å; F1542-I1555 HydrophobicContact CE1-CG2 4.47Å; F1542-R1559 HydrophobicContact CE1-CG 3.83Å; F1542-R1559 HydrophobicContact CE2-CG 4.29Å; F1542-R1559 HydrophobicContact CZ-CB 4.44Å; F1542-R1559 HydrophobicContact CZ-CG 3.63Å; F1542-L1562 HydrophobicContact CE2-CD2 4.04Å; F1542-L1562 HydrophobicContact CZ-CD2 4.12Å |
| 1543 | Q | 85.9 | Confident | 84.6 | Confident | 84 Ų | 84 | 72.7 Ų | 72.7 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71 | -35 | 176.7 | -171.1 | 174.2 | -3.9 | 0 | 0 | 112 | I1527 E1539 L1541 A1546 N1547 | I1527-Q1543 HydrophobicContact CD1-CB 4.01Å; I1527-Q1543 HydrophobicContact CD1-CG 3.9Å; E1539-Q1543 WeakPolarHBondContact O-CB 3.48Å; E1539-Q1543 PolarHBondContact O-N 3.48Å; L1541-Q1543 VanDerWaalsContact C-N 3.33Å; L1541-Q1543 PolarHBondContact O-N 2.73Å; Q1543-A1546 PolarHBondContact O-N 3.45Å; Q1543-N1547 WeakPolarHBondContact O-CB 3.19Å; Q1543-N1547 VanDerWaalsContact O-CG 3.22Å; Q1543-N1547 PolarHBondContact O-N 3.42Å; Q1543-N1547 PolarHBondContact O-OD1 3.35Å |
| 1544 | A | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1523 A1524 I1527 H1540 L1541 A1546 N1547 M1548 | E1523-A1544 HydrophobicContact CB-CB 3.9Å; E1523-A1544 HydrophobicContact CG-CB 3.69Å; A1524-A1544 HydrophobicContact CB-CB 3.84Å; I1527-A1544 HydrophobicContact CD1-CB 4Å; H1540-A1544 VanDerWaalsContact O-CB 3.26Å; H1540-A1544 WeakPolarHBondContact O-CB 3.15Å; H1540-A1544 PolarHBondContact O-N 3.1Å; L1541-A1544 PolarHBondContact O-N 3.22Å; A1544-A1546 VanDerWaalsContact C-N 3.29Å; A1544-A1546 PolarHBondContact O-N 3.29Å; A1544-N1547 PolarHBondContact O-N 3.24Å; A1544-M1548 WeakPolarHBondContact O-CG 3.26Å; A1544-M1548 PolarHBondContact O-N 3.34Å; A1544-M1548 VanDerWaalsContact O-N 3.08Å |
| 1545 | V | 87.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | V1520 L1541 F1550 I1555 | V1520-V1545 HydrophobicContact CG1-CG2 4.21Å; V1520-V1545 HydrophobicContact CG2-CG2 4.19Å; L1541-V1545 WeakPolarHBondContact O-CG2 3.24Å; L1541-V1545 PolarHBondContact O-N 2.6Å; L1541-V1545 VanDerWaalsContact O-N 3.08Å; V1545-F1550 HydrophobicContact CG1-CB 3.82Å; V1545-F1550 PolarHBondContact O-N 2.98Å; V1545-I1555 HydrophobicContact CG1-CG1 3.92Å |
| 1546 | A | 86.1 | Confident | 85.4 | Confident | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1542 Q1543 A1544 M1548 G1549 I1555 | F1542-A1546 PolarHBondContact O-N 3.36Å; F1542-A1546 VanDerWaalsContact O-N 3.09Å; Q1543-A1546 PolarHBondContact O-N 3.45Å; A1544-A1546 VanDerWaalsContact C-N 3.29Å; A1544-A1546 PolarHBondContact O-N 3.29Å; A1546-M1548 VanDerWaalsContact C-N 3.27Å; A1546-M1548 PolarHBondContact O-N 3.4Å; A1546-G1549 PolarHBondContact O-N 3.34Å; A1546-I1555 HydrophobicContact CB-CD1 4.07Å |
| 1547 | N | 87.3 | Confident | 85.5 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -35.9 | 179.7 | -78.1 | 7.4 | 0 | 0 | 0 | 112.3 | E1523 Q1543 A1544 G1549 | E1523-N1547 HydrophobicContact CG-CB 4.25Å; E1523-N1547 WeakPolarHBondContact OE1-CB 3.49Å; E1523-N1547 PolarHBondContact OE1-ND2 3.41Å; Q1543-N1547 WeakPolarHBondContact O-CB 3.19Å; Q1543-N1547 VanDerWaalsContact O-CG 3.22Å; Q1543-N1547 PolarHBondContact O-N 3.42Å; Q1543-N1547 PolarHBondContact O-OD1 3.35Å; A1544-N1547 PolarHBondContact O-N 3.24Å; N1547-G1549 PolarHBondContact O-N 3.04Å |
| 1548 | M | 84.2 | Confident | 85.4 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.8 | 176.9 | -65.1 | -172.1 | -63.6 | 0 | 0 | 114.1 | V1520 E1523 A1544 A1546 F1550 | V1520-M1548 HydrophobicContact CB-CE 4.06Å; V1520-M1548 HydrophobicContact CG2-CE 3.48Å; V1520-M1548 VanDerWaalsContact CG2-CE 3.48Å; E1523-M1548 HydrophobicContact CB-SD 4.35Å; E1523-M1548 HydrophobicContact CG-CG 4.37Å; A1544-M1548 WeakPolarHBondContact O-CG 3.26Å; A1544-M1548 PolarHBondContact O-N 3.34Å; A1544-M1548 VanDerWaalsContact O-N 3.08Å; A1546-M1548 VanDerWaalsContact C-N 3.27Å; A1546-M1548 PolarHBondContact O-N 3.4Å; M1548-F1550 HydrophobicContact CB-CD2 3.77Å; M1548-F1550 HydrophobicContact CB-CE2 3.73Å; M1548-F1550 HydrophobicContact CE-CD2 4.27Å; M1548-F1550 HydrophobicContact CE-CE2 3.96Å; M1548-F1550 PolarHBondContact O-N 2.91Å; M1548-F1550 HydrophobicContact SD-CE2 4.43Å |
| 1549 | G | 83.2 | Confident | 85.4 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 69% | 0.691 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 14.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1546 N1547 | A1546-G1549 PolarHBondContact O-N 3.34Å; N1547-G1549 PolarHBondContact O-N 3.04Å |
| 1550 | F | 81.9 | Confident | 85.4 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | trans | -71.2 | 136.4 | 170.6 | -65.5 | -79.9 | 0 | 0 | 0 | 110.1 | F1516 V1545 M1548 Y1554 | F1516-F1550 HydrophobicContact CD2-CE1 4.11Å; F1516-F1550 HydrophobicContact CD2-CE2 4.17Å; F1516-F1550 AromaticContact CD2-CZ 3.71Å; F1516-F1550 HydrophobicContact CD2-CZ 3.71Å; F1516-F1550 HydrophobicContact CE2-CD1 4.17Å; F1516-F1550 HydrophobicContact CE2-CD2 4.12Å; F1516-F1550 AromaticContact CE2-CE1 3.8Å; F1516-F1550 HydrophobicContact CE2-CE1 3.8Å; F1516-F1550 AromaticContact CE2-CE2 3.75Å; F1516-F1550 HydrophobicContact CE2-CE2 3.75Å; F1516-F1550 HydrophobicContact CE2-CG 4.33Å; F1516-F1550 AromaticContact CE2-CZ 3.58Å; F1516-F1550 HydrophobicContact CE2-CZ 3.58Å; V1545-F1550 HydrophobicContact CG1-CB 3.82Å; V1545-F1550 PolarHBondContact O-N 2.98Å; M1548-F1550 HydrophobicContact CB-CD2 3.77Å; M1548-F1550 HydrophobicContact CB-CE2 3.73Å; M1548-F1550 HydrophobicContact CE-CD2 4.27Å; M1548-F1550 HydrophobicContact CE-CE2 3.96Å; M1548-F1550 PolarHBondContact O-N 2.91Å; M1548-F1550 HydrophobicContact SD-CE2 4.43Å; F1550-Y1554 HydrophobicContact CB-CD2 4.13Å; F1550-Y1554 HydrophobicContact CB-CG 4.07Å; F1550-Y1554 HydrophobicContact CD1-CD1 4.47Å; F1550-Y1554 HydrophobicContact CD1-CD2 4.46Å; F1550-Y1554 HydrophobicContact CD1-CE1 4.25Å; F1550-Y1554 HydrophobicContact CD1-CE2 4.26Å | ||
| 1551 | G | 78 | Confident | 85.2 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | trans | -65.1 | 167.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1553 Y1554 | G1551-D1553 PolarHBondContact O-N 2.89Å; G1551-Y1554 PolarHBondContact O-N 3.31Å | ||
| 1552 | S | 82 | Confident | 84.9 | Confident | 73 Ų | 73 | 64 Ų | 64 | 51% | 0.51 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -39.4 | -43.1 | 174.4 | 34.4 | 0 | 0 | 0 | 0 | 113.5 | Y1554 I1555 D1556 | S1552-Y1554 PolarHBondContact O-N 2.71Å; S1552-Y1554 VanDerWaalsContact O-N 3.17Å; S1552-I1555 CarbonylContact O-C 3.56Å; S1552-I1555 WeakPolarHBondContact O-CA 3.38Å; S1552-I1555 WeakPolarHBondContact O-CB 3.5Å; S1552-I1555 PolarHBondContact O-N 2.92Å; S1552-D1556 PolarHBondContact O-N 3.39Å |
| 1553 | D | 84.3 | Confident | 84.7 | Confident | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.6 | -33.6 | -173.6 | -50.6 | 20.7 | 0 | 0 | 0 | 112 | G1551 A1557 | G1551-D1553 PolarHBondContact O-N 2.89Å; D1553-A1557 WeakPolarHBondContact O-CB 3.28Å; D1553-A1557 PolarHBondContact O-N 3.01Å |
| 1554 | Y | 83 | Confident | 84.6 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 51% | 0.51 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.9 | -37.8 | 174.8 | -77.4 | -101.3 | 0 | 0 | 0 | 112.2 | F1516 F1550 G1551 S1552 G1558 | F1516-Y1554 HydrophobicContact CE2-CD1 4.49Å; F1516-Y1554 HydrophobicContact CE2-CE1 4.35Å; F1516-Y1554 HydrophobicContact CZ-CD1 4.15Å; F1516-Y1554 HydrophobicContact CZ-CE1 4.29Å; F1550-Y1554 HydrophobicContact CB-CD2 4.13Å; F1550-Y1554 HydrophobicContact CB-CG 4.07Å; F1550-Y1554 HydrophobicContact CD1-CD1 4.47Å; F1550-Y1554 HydrophobicContact CD1-CD2 4.46Å; F1550-Y1554 HydrophobicContact CD1-CE1 4.25Å; F1550-Y1554 HydrophobicContact CD1-CE2 4.26Å; G1551-Y1554 PolarHBondContact O-N 3.31Å; S1552-Y1554 PolarHBondContact O-N 2.71Å; S1552-Y1554 VanDerWaalsContact O-N 3.17Å; Y1554-G1558 PolarHBondContact O-N 3.12Å |
| 1555 | I | 85 | Confident | 84.1 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 18% | 0.179 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 176.7 | -61.2 | 174 | 0 | 0 | 0 | 109.5 | F1542 V1545 A1546 S1552 G1558 R1559 | F1542-I1555 HydrophobicContact CD1-CG2 3.93Å; F1542-I1555 HydrophobicContact CE1-CG2 4.47Å; V1545-I1555 HydrophobicContact CG1-CG1 3.92Å; A1546-I1555 HydrophobicContact CB-CD1 4.07Å; S1552-I1555 CarbonylContact O-C 3.56Å; S1552-I1555 WeakPolarHBondContact O-CA 3.38Å; S1552-I1555 WeakPolarHBondContact O-CB 3.5Å; S1552-I1555 PolarHBondContact O-N 2.92Å; I1555-G1558 PolarHBondContact O-N 3.42Å; I1555-R1559 WeakPolarHBondContact O-CG 3.25Å; I1555-R1559 PolarHBondContact O-N 3Å |
| 1556 | D | 86.3 | Confident | 83.7 | Confident | 94 Ų | 94 | 75.5 Ų | 75.5 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 179.4 | -68.9 | -28.1 | 0 | 0 | 0 | 112.3 | S1552 R1559 S1560 | S1552-D1556 PolarHBondContact O-N 3.39Å; D1556-R1559 PolarHBondContact O-N 3.44Å; D1556-S1560 WeakPolarHBondContact O-CB 3.29Å; D1556-S1560 PolarHBondContact O-N 2.97Å |
| 1557 | A | 84.4 | Confident | 83.4 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1553 R1559 S1560 V1561 | D1553-A1557 WeakPolarHBondContact O-CB 3.28Å; D1553-A1557 PolarHBondContact O-N 3.01Å; A1557-R1559 PolarHBondContact O-N 3.5Å; A1557-S1560 PolarHBondContact O-N 3.32Å; A1557-V1561 WeakPolarHBondContact O-CG2 3.41Å; A1557-V1561 PolarHBondContact O-N 2.93Å |
| 1558 | G | 84 | Confident | 83 | Confident | 27 Ų | 27 | 78.8 Ų | 78.8 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1554 I1555 V1561 L1562 | Y1554-G1558 PolarHBondContact O-N 3.12Å; I1555-G1558 PolarHBondContact O-N 3.42Å; G1558-V1561 PolarHBondContact O-N 3.41Å; G1558-L1562 WeakPolarHBondContact O-CB 3.34Å; G1558-L1562 PolarHBondContact O-N 3.4Å |
| 1559 | R | 85.8 | Confident | 82.5 | Confident | 126 Ų | 126 | 78.3 Ų | 78.3 | 48% | 0.475 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 172.5 | -72.1 | 172.2 | -174 | -80.9 | -2.6 | 111.3 | F1542 I1555 D1556 A1557 V1561 L1562 D1563 | F1542-R1559 HydrophobicContact CE1-CG 3.83Å; F1542-R1559 HydrophobicContact CE2-CG 4.29Å; F1542-R1559 HydrophobicContact CZ-CB 4.44Å; F1542-R1559 HydrophobicContact CZ-CG 3.63Å; I1555-R1559 WeakPolarHBondContact O-CG 3.25Å; I1555-R1559 PolarHBondContact O-N 3Å; D1556-R1559 PolarHBondContact O-N 3.44Å; A1557-R1559 PolarHBondContact O-N 3.5Å; R1559-V1561 VanDerWaalsContact C-N 3.27Å; R1559-V1561 PolarHBondContact O-N 3.49Å; R1559-L1562 WeakPolarHBondContact O-CB 3.44Å; R1559-L1562 PolarHBondContact O-N 3.34Å; R1559-L1562 VanDerWaalsContact O-N 3.12Å; R1559-D1563 PolarHBondContact O-N 2.85Å |
| 1560 | S | 87.7 | Confident | 82 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -33.3 | 177.3 | -170.3 | 0 | 0 | 0 | 0 | 113.4 | D1556 A1557 K1564 | D1556-S1560 WeakPolarHBondContact O-CB 3.29Å; D1556-S1560 PolarHBondContact O-N 2.97Å; A1557-S1560 PolarHBondContact O-N 3.32Å; S1560-K1564 VanDerWaalsContact O-CD 3.25Å; S1560-K1564 WeakPolarHBondContact O-CD 3.39Å; S1560-K1564 VanDerWaalsContact O-CG 3.28Å; S1560-K1564 WeakPolarHBondContact O-CG 3.41Å; S1560-K1564 PolarHBondContact O-N 2.95Å; S1560-K1564 PolarHBondContact OG-NZ 3.44Å |
| 1561 | V | 83.8 | Confident | 81.5 | Confident | 84 Ų | 84 | 82.2 Ų | 82.2 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.4 | -45.2 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | A1557 G1558 R1559 D1563 K1564 C1565 | A1557-V1561 WeakPolarHBondContact O-CG2 3.41Å; A1557-V1561 PolarHBondContact O-N 2.93Å; G1558-V1561 PolarHBondContact O-N 3.41Å; R1559-V1561 VanDerWaalsContact C-N 3.27Å; R1559-V1561 PolarHBondContact O-N 3.49Å; V1561-D1563 VanDerWaalsContact C-N 3.31Å; V1561-D1563 PolarHBondContact O-N 3.34Å; V1561-K1564 WeakPolarHBondContact O-CB 3.24Å; V1561-K1564 PolarHBondContact O-N 3.45Å; V1561-C1565 PolarHBondContact O-N 2.97Å; V1561-C1565 PolarHBondContact O-SG 2.68Å; V1561-C1565 VanDerWaalsContact O-SG 3.36Å |
| 1562 | L | 84.1 | Confident | 80.9 | Confident | 45 Ų | 45 | 87.5 Ų | 87.5 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -56.9 | -43.5 | 177.4 | 176.1 | 68.4 | 0 | 0 | 0 | 111.7 | K1538 F1542 G1558 R1559 K1564 C1565 N1566 | K1538-L1562 HydrophobicContact CB-CD2 4.39Å; K1538-L1562 HydrophobicContact CD-CD2 3.75Å; F1542-L1562 HydrophobicContact CE2-CD2 4.04Å; F1542-L1562 HydrophobicContact CZ-CD2 4.12Å; G1558-L1562 WeakPolarHBondContact O-CB 3.34Å; G1558-L1562 PolarHBondContact O-N 3.4Å; R1559-L1562 WeakPolarHBondContact O-CB 3.44Å; R1559-L1562 PolarHBondContact O-N 3.34Å; R1559-L1562 VanDerWaalsContact O-N 3.12Å; L1562-K1564 PolarHBondContact O-N 3.35Å; L1562-C1565 CarbonylContact O-C 3.58Å; L1562-C1565 WeakPolarHBondContact O-CB 3.49Å; L1562-C1565 PolarHBondContact O-N 2.65Å; L1562-N1566 PolarHBondContact O-N 2.67Å; L1562-N1566 PolarHBondContact O-ND2 3.46Å |
| 1563 | D | 84.4 | Confident | 79.7 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 179 | -68.1 | -28.9 | 0 | 0 | 0 | 112.4 | R1559 V1561 C1565 N1566 E1567 | R1559-D1563 PolarHBondContact O-N 2.85Å; V1561-D1563 VanDerWaalsContact C-N 3.31Å; V1561-D1563 PolarHBondContact O-N 3.34Å; D1563-C1565 VanDerWaalsContact C-N 3.34Å; D1563-C1565 PolarHBondContact O-N 2.86Å; D1563-N1566 PolarHBondContact O-N 3.01Å; D1563-E1567 PolarHBondContact O-N 3.35Å |
| 1564 | K | 83.8 | Confident | 78.4 | Confident | 129 Ų | 129 | 91.6 Ų | 91.6 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | 171.2 | -69.9 | 162.4 | -173.3 | 140.8 | 0 | 111.8 | S1560 V1561 L1562 E1567 E1568 | S1560-K1564 VanDerWaalsContact O-CD 3.25Å; S1560-K1564 WeakPolarHBondContact O-CD 3.39Å; S1560-K1564 VanDerWaalsContact O-CG 3.28Å; S1560-K1564 WeakPolarHBondContact O-CG 3.41Å; S1560-K1564 PolarHBondContact O-N 2.95Å; S1560-K1564 PolarHBondContact OG-NZ 3.44Å; V1561-K1564 WeakPolarHBondContact O-CB 3.24Å; V1561-K1564 PolarHBondContact O-N 3.45Å; L1562-K1564 PolarHBondContact O-N 3.35Å; K1564-E1567 PolarHBondContact O-N 3.47Å; K1564-E1568 PolarHBondContact O-N 3.27Å |
| 1565 | C | 79.5 | Confident | 77.1 | Confident | 73 Ų | 73 | 94.5 Ų | 94.5 | 49% | 0.493 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 174.1 | -68 | 0 | 0 | 0 | 0 | 112.1 | V1561 L1562 D1563 E1568 A1569 | V1561-C1565 PolarHBondContact O-N 2.97Å; V1561-C1565 PolarHBondContact O-SG 2.68Å; V1561-C1565 VanDerWaalsContact O-SG 3.36Å; L1562-C1565 CarbonylContact O-C 3.58Å; L1562-C1565 WeakPolarHBondContact O-CB 3.49Å; L1562-C1565 PolarHBondContact O-N 2.65Å; D1563-C1565 VanDerWaalsContact C-N 3.34Å; D1563-C1565 PolarHBondContact O-N 2.86Å; C1565-E1568 PolarHBondContact O-N 3.49Å; C1565-A1569 VanDerWaalsContact O-CB 3.29Å; C1565-A1569 WeakPolarHBondContact O-CB 3.39Å; C1565-A1569 PolarHBondContact O-N 2.97Å |
| 1566 | N | 79.4 | Confident | 75.6 | Confident | 77 Ų | 77 | 100 Ų | 100 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.6 | -66.6 | -31.2 | 0 | 0 | 0 | 111.4 | L1562 D1563 S1570 | L1562-N1566 PolarHBondContact O-N 2.67Å; L1562-N1566 PolarHBondContact O-ND2 3.46Å; D1563-N1566 PolarHBondContact O-N 3.01Å; N1566-S1570 WeakPolarHBondContact O-CB 3.32Å; N1566-S1570 PolarHBondContact O-N 3.11Å; N1566-S1570 PolarHBondContact O-OG 2.85Å |
| 1567 | E | 80.1 | Confident | 73.8 | Confident | 108 Ų | 108 | 99 Ų | 99 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 171.3 | -91.3 | -156.2 | -132.5 | 0 | 0 | 111.9 | D1563 K1564 S1570 R1571 | D1563-E1567 PolarHBondContact O-N 3.35Å; K1564-E1567 PolarHBondContact O-N 3.47Å; E1567-S1570 WeakPolarHBondContact O-CB 3.42Å; E1567-S1570 PolarHBondContact O-N 3.39Å; E1567-R1571 VanDerWaalsContact O-CG 3.28Å; E1567-R1571 WeakPolarHBondContact O-CG 3.33Å; E1567-R1571 PolarHBondContact O-N 3.47Å; E1567-R1571 IonicContact OE2-CZ 2.66Å; E1567-R1571 IonicContact OE2-NE 2.73Å; E1567-R1571 IonicContact OE2-NH2 3.74Å; E1567-R1571 PolarHBondContact OE2-NH2 3.26Å |
| 1568 | E | 77.6 | Confident | 72.3 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | -177.9 | -148.2 | -155.2 | 128.2 | 0 | 0 | 112.2 | K1564 C1565 S1570 R1571 R1572 | K1564-E1568 PolarHBondContact O-N 3.27Å; C1565-E1568 PolarHBondContact O-N 3.49Å; E1568-S1570 VanDerWaalsContact C-N 3.31Å; E1568-S1570 PolarHBondContact O-N 3.31Å; E1568-R1571 CarbonylContact O-C 3.59Å; E1568-R1571 WeakPolarHBondContact O-CB 3.39Å; E1568-R1571 PolarHBondContact O-N 3.44Å; E1568-R1571 VanDerWaalsContact O-N 3.14Å; E1568-R1572 WeakPolarHBondContact O-CG 3.43Å; E1568-R1572 PolarHBondContact O-N 3.16Å; E1568-R1572 IonicContact OE1-CZ 3.35Å; E1568-R1572 IonicContact OE1-NE 3.65Å; E1568-R1572 PolarHBondContact OE1-NE 2.94Å; E1568-R1572 IonicContact OE1-NH2 3.61Å; E1568-R1572 PolarHBondContact OE1-NH2 3.22Å; E1568-R1572 IonicContact OE2-NH2 2.72Å |
| 1569 | A | 73.2 | Confident | 70.8 | Confident | 50 Ų | 50 | 108 Ų | 108 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C1565 R1571 R1572 L1573 | C1565-A1569 VanDerWaalsContact O-CB 3.29Å; C1565-A1569 WeakPolarHBondContact O-CB 3.39Å; C1565-A1569 PolarHBondContact O-N 2.97Å; A1569-R1571 VanDerWaalsContact C-N 3.32Å; A1569-R1571 PolarHBondContact O-N 3.06Å; A1569-R1572 PolarHBondContact O-N 2.74Å; A1569-R1572 VanDerWaalsContact O-N 3.15Å; A1569-L1573 PolarHBondContact O-N 3.27Å |
| 1570 | S | 73.1 | Confident | 69.1 | Low | 64 Ų | 64 | 107.1 Ų | 107.1 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | N1566 E1567 E1568 K1574 | N1566-S1570 WeakPolarHBondContact O-CB 3.32Å; N1566-S1570 PolarHBondContact O-N 3.11Å; N1566-S1570 PolarHBondContact O-OG 2.85Å; E1567-S1570 WeakPolarHBondContact O-CB 3.42Å; E1567-S1570 PolarHBondContact O-N 3.39Å; E1568-S1570 VanDerWaalsContact C-N 3.31Å; E1568-S1570 PolarHBondContact O-N 3.31Å; S1570-K1574 WeakPolarHBondContact O-CG 3.34Å; S1570-K1574 PolarHBondContact O-N 3.48Å; S1570-K1574 VanDerWaalsContact O-N 3.08Å |
| 1571 | R | 72.8 | Confident | 67.5 | Low | 152 Ų | 152 | 111.4 Ų | 111.4 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.7 | -35.1 | 173.9 | -66.6 | 168.4 | -167.8 | -143.6 | 7.1 | 112.1 | E1567 E1568 A1569 R1575 | E1567-R1571 VanDerWaalsContact O-CG 3.28Å; E1567-R1571 WeakPolarHBondContact O-CG 3.33Å; E1567-R1571 PolarHBondContact O-N 3.47Å; E1567-R1571 IonicContact OE2-CZ 2.66Å; E1567-R1571 IonicContact OE2-NE 2.73Å; E1567-R1571 IonicContact OE2-NH2 3.74Å; E1567-R1571 PolarHBondContact OE2-NH2 3.26Å; E1568-R1571 CarbonylContact O-C 3.59Å; E1568-R1571 WeakPolarHBondContact O-CB 3.39Å; E1568-R1571 PolarHBondContact O-N 3.44Å; E1568-R1571 VanDerWaalsContact O-N 3.14Å; A1569-R1571 VanDerWaalsContact C-N 3.32Å; A1569-R1571 PolarHBondContact O-N 3.06Å; R1571-R1575 WeakPolarHBondContact O-CG 3.36Å; R1571-R1575 PolarHBondContact O-N 2.89Å |
| 1572 | R | 63.7 | Low | 66.2 | Low | 152 Ų | 152 | 116.1 Ų | 116.1 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70 | -42.1 | 175.5 | -71.4 | 177.7 | -173.6 | -156.3 | 7 | 111.8 | E1568 A1569 R1575 Q1576 | E1568-R1572 WeakPolarHBondContact O-CG 3.43Å; E1568-R1572 PolarHBondContact O-N 3.16Å; E1568-R1572 IonicContact OE1-CZ 3.35Å; E1568-R1572 IonicContact OE1-NE 3.65Å; E1568-R1572 PolarHBondContact OE1-NE 2.94Å; E1568-R1572 IonicContact OE1-NH2 3.61Å; E1568-R1572 PolarHBondContact OE1-NH2 3.22Å; E1568-R1572 IonicContact OE2-NH2 2.72Å; A1569-R1572 PolarHBondContact O-N 2.74Å; A1569-R1572 VanDerWaalsContact O-N 3.15Å; R1572-R1575 WeakPolarHBondContact O-CB 3.5Å; R1572-R1575 PolarHBondContact O-N 3.39Å; R1572-R1575 VanDerWaalsContact O-N 3.15Å; R1572-Q1576 PolarHBondContact O-N 3.49Å |
| 1573 | L | 58 | Low | 64.8 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.8 | -49 | 171.2 | -79.7 | 161 | 0 | 0 | 0 | 111.4 | A1569 R1575 Q1576 S1577 | A1569-L1573 PolarHBondContact O-N 3.27Å; L1573-R1575 VanDerWaalsContact C-N 3.27Å; L1573-R1575 PolarHBondContact O-N 2.97Å; L1573-Q1576 PolarHBondContact O-N 3.42Å; L1573-Q1576 VanDerWaalsContact O-N 3.1Å; L1573-S1577 PolarHBondContact O-N 3.43Å; L1573-S1577 VanDerWaalsContact O-N 3.09Å |
| 1574 | K | 56.2 | Low | 63.5 | Low | 162 Ų | 162 | 117 Ų | 117 | 70% | 0.704 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.7 | -37.1 | 174 | -75.6 | -177.2 | 176.5 | -173.5 | 0 | 112.8 | S1570 S1577 T1578 | S1570-K1574 WeakPolarHBondContact O-CG 3.34Å; S1570-K1574 PolarHBondContact O-N 3.48Å; S1570-K1574 VanDerWaalsContact O-N 3.08Å; K1574-S1577 VanDerWaalsContact O-CB 3.3Å; K1574-S1577 WeakPolarHBondContact O-CB 3.32Å; K1574-S1577 PolarHBondContact O-N 3.5Å; K1574-T1578 WeakPolarHBondContact O-CG2 3.35Å |
| 1575 | R | 56.2 | Low | 62.8 | Low | 191 Ų | 191 | 114.6 Ų | 114.6 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.2 | -38.9 | 174.7 | -77 | 176.2 | 175.6 | 178.7 | -1.1 | 112.9 | R1571 R1572 L1573 S1577 T1578 | R1571-R1575 WeakPolarHBondContact O-CG 3.36Å; R1571-R1575 PolarHBondContact O-N 2.89Å; R1572-R1575 WeakPolarHBondContact O-CB 3.5Å; R1572-R1575 PolarHBondContact O-N 3.39Å; R1572-R1575 VanDerWaalsContact O-N 3.15Å; L1573-R1575 VanDerWaalsContact C-N 3.27Å; L1573-R1575 PolarHBondContact O-N 2.97Å; R1575-S1577 VanDerWaalsContact C-N 3.31Å; R1575-S1577 PolarHBondContact O-N 2.95Å; R1575-T1578 PolarHBondContact O-N 3.1Å; R1575-T1578 PolarHBondContact O-OG1 3.32Å |
| 1576 | Q | 53 | Low | 62.5 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.7 | -33 | 174.6 | -73.2 | -178.4 | -26.6 | 0 | 0 | 112.7 | R1572 L1573 T1578 R1579 | R1572-Q1576 PolarHBondContact O-N 3.49Å; L1573-Q1576 PolarHBondContact O-N 3.42Å; L1573-Q1576 VanDerWaalsContact O-N 3.1Å; Q1576-T1578 VanDerWaalsContact C-N 3.26Å; Q1576-T1578 PolarHBondContact O-N 3.03Å; Q1576-R1579 PolarHBondContact O-N 3.28Å |
| 1577 | S | 49.6 | Very low | 61.8 | Low | 74 Ų | 74 | 118.7 Ų | 118.7 | 52% | 0.517 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.2 | -36.1 | 174.4 | -154 | 0 | 0 | 0 | 0 | 113.2 | L1573 K1574 R1575 R1579 L1580 | L1573-S1577 PolarHBondContact O-N 3.43Å; L1573-S1577 VanDerWaalsContact O-N 3.09Å; K1574-S1577 VanDerWaalsContact O-CB 3.3Å; K1574-S1577 WeakPolarHBondContact O-CB 3.32Å; K1574-S1577 PolarHBondContact O-N 3.5Å; R1575-S1577 VanDerWaalsContact C-N 3.31Å; R1575-S1577 PolarHBondContact O-N 2.95Å; S1577-R1579 PolarHBondContact O-N 3.23Å; S1577-L1580 PolarHBondContact O-N 3.16Å |
| 1578 | T | 51.4 | Low | 61.6 | Low | 61 Ų | 61 | 120.1 Ų | 120.1 | 37% | 0.374 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.8 | -6.4 | -178.6 | 71.2 | 0 | 0 | 0 | 0 | 115.1 | K1574 R1575 Q1576 E1581 | K1574-T1578 WeakPolarHBondContact O-CG2 3.35Å; R1575-T1578 PolarHBondContact O-N 3.1Å; R1575-T1578 PolarHBondContact O-OG1 3.32Å; Q1576-T1578 VanDerWaalsContact C-N 3.26Å; Q1576-T1578 PolarHBondContact O-N 3.03Å; T1578-E1581 WeakPolarHBondContact CA-OE2 3.43Å; T1578-E1581 WeakPolarHBondContact CB-OE2 3.47Å; T1578-E1581 WeakPolarHBondContact CG2-OE2 3.48Å |
| 1579 | R | 53.4 | Low | 61.5 | Low | 210 Ų | 210 | 120.6 Ų | 120.6 | 79% | 0.792 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -78.1 | -23.2 | 174.1 | -149.2 | 174.4 | -170.6 | 174.4 | 2.7 | 113.3 | Q1576 S1577 | Q1576-R1579 PolarHBondContact O-N 3.28Å; S1577-R1579 PolarHBondContact O-N 3.23Å |
| 1580 | L | 51 | Low | 61.5 | Low | 106 Ų | 106 | 120.6 Ų | 120.6 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -79.1 | -43.5 | 169.4 | -103.2 | 71 | 0 | 0 | 0 | 111.6 | S1577 K1582 C1583 L1590 | S1577-L1580 PolarHBondContact O-N 3.16Å; L1580-K1582 PolarHBondContact O-N 3.43Å; L1580-C1583 WeakPolarHBondContact O-CB 3.41Å; L1580-C1583 PolarHBondContact O-N 2.89Å; L1580-L1590 HydrophobicContact CD2-CD1 4.29Å; L1580-L1590 HydrophobicContact CG-CD1 4.4Å |
| 1581 | E | 52.8 | Low | 61.6 | Low | 146 Ų | 146 | 121.7 Ų | 121.7 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -56.5 | -24.1 | -178.7 | -62.4 | 174.6 | 153.6 | 0 | 0 | 113.2 | T1578 | T1578-E1581 WeakPolarHBondContact CA-OE2 3.43Å; T1578-E1581 WeakPolarHBondContact CB-OE2 3.47Å; T1578-E1581 WeakPolarHBondContact CG2-OE2 3.48Å |
| 1582 | K | 56.1 | Low | 61.9 | Low | 183 Ų | 183 | 120.1 Ų | 120.1 | 80% | 0.796 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -2.3 | 176.9 | -71.7 | -172.8 | 176.7 | -175.1 | 0 | 115.3 | L1580 | L1580-K1582 PolarHBondContact O-N 3.43Š|
| 1583 | C | 55.9 | Low | 62.5 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 54% | 0.541 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -14.1 | 176.6 | -70.8 | 0 | 0 | 0 | 0 | 113.6 | L1580 I1585 | L1580-C1583 WeakPolarHBondContact O-CB 3.41Å; L1580-C1583 PolarHBondContact O-N 2.89Å; C1583-I1585 PolarHBondContact O-N 3.41Å; C1583-I1585 VanDerWaalsContact O-N 3.16Å |
| 1584 | G | 57.7 | Low | 63.5 | Low | 76 Ų | 76 | 115 Ų | 115 | 78% | 0.784 | 58% | 0.577 | S | S | * | * | trans | 71.5 | 2.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1585 | I | 68.8 | Low | 64.7 | Low | 80 Ų | 80 | 112.9 Ų | 112.9 | 41% | 0.41 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -98 | 131.9 | 174.8 | -58.3 | 169.3 | 0 | 0 | 0 | 107.6 | C1583 E1589 L1590 | C1583-I1585 PolarHBondContact O-N 3.41Å; C1583-I1585 VanDerWaalsContact O-N 3.16Å; I1585-E1589 HydrophobicContact CG2-CB 3.86Å; I1585-E1589 HydrophobicContact CG2-CG 3.92Å; I1585-L1590 HydrophobicContact CB-CD1 4.47Å; I1585-L1590 HydrophobicContact CB-CG 4.14Å; I1585-L1590 HydrophobicContact CG2-CD2 4.42Å; I1585-L1590 HydrophobicContact CG2-CG 3.89Å |
| 1586 | P | 73.4 | Confident | 66 | Low | 75 Ų | 75 | 108.3 Ų | 108.3 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | trans | -65.3 | 151.7 | 178.8 | 26.2 | -33 | 0 | 0 | 0 | 112.2 | D1588 E1589 L1590 | P1586-D1588 VanDerWaalsContact C-N 3.32Å; P1586-D1588 PolarHBondContact O-N 2.92Å; P1586-E1589 WeakPolarHBondContact CD-OE2 3.46Å; P1586-E1589 HydrophobicContact CG-CB 3.88Å; P1586-E1589 PolarHBondContact O-N 3.1Å; P1586-L1590 PolarHBondContact O-N 3.12Å | ||
| 1587 | E | 64.3 | Low | 67.3 | Low | 161 Ų | 161 | 106.9 Ų | 106.9 | 75% | 0.752 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.1 | -37.9 | -171.7 | -167.9 | 168.4 | -171.3 | 0 | 0 | 113 | E1589 L1590 L1591 | E1587-E1589 VanDerWaalsContact C-N 3.3Å; E1587-E1589 PolarHBondContact O-N 2.79Å; E1587-L1590 PolarHBondContact O-N 3.3Å; E1587-L1591 WeakPolarHBondContact O-CB 3.28Å; E1587-L1591 PolarHBondContact O-N 3.28Å |
| 1588 | D | 75.3 | Confident | 68.7 | Low | 137 Ų | 137 | 109 Ų | 109 | 73% | 0.733 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.9 | -35 | 174.6 | -62 | -52.3 | 0 | 0 | 0 | 113 | P1586 K1592 | P1586-D1588 VanDerWaalsContact C-N 3.32Å; P1586-D1588 PolarHBondContact O-N 2.92Å; D1588-K1592 VanDerWaalsContact O-CB 3.32Å; D1588-K1592 WeakPolarHBondContact O-CB 3.2Å; D1588-K1592 PolarHBondContact O-N 3.06Å |
| 1589 | E | 75.1 | Confident | 70.2 | Confident | 106 Ų | 106 | 108.7 Ų | 108.7 | 50% | 0.495 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -81.1 | -31.5 | -179.4 | -172.5 | 168.1 | -135.3 | 0 | 0 | 111.6 | I1585 P1586 E1587 T1593 | I1585-E1589 HydrophobicContact CG2-CB 3.86Å; I1585-E1589 HydrophobicContact CG2-CG 3.92Å; P1586-E1589 WeakPolarHBondContact CD-OE2 3.46Å; P1586-E1589 HydrophobicContact CG-CB 3.88Å; P1586-E1589 PolarHBondContact O-N 3.1Å; E1587-E1589 VanDerWaalsContact C-N 3.3Å; E1587-E1589 PolarHBondContact O-N 2.79Å; E1589-T1593 WeakPolarHBondContact O-CB 3.26Å; E1589-T1593 WeakPolarHBondContact O-CG2 3.22Å; E1589-T1593 PolarHBondContact O-N 3.4Å; E1589-T1593 PolarHBondContact O-OG1 3.13Å |
| 1590 | L | 74.1 | Confident | 71.7 | Confident | 50 Ų | 50 | 104.2 Ų | 104.2 | 26% | 0.262 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 165.5 | -80.7 | 168.2 | 0 | 0 | 0 | 111.8 | L1580 I1585 P1586 E1587 T1593 Q1594 | L1580-L1590 HydrophobicContact CD2-CD1 4.29Å; L1580-L1590 HydrophobicContact CG-CD1 4.4Å; I1585-L1590 HydrophobicContact CB-CD1 4.47Å; I1585-L1590 HydrophobicContact CB-CG 4.14Å; I1585-L1590 HydrophobicContact CG2-CD2 4.42Å; I1585-L1590 HydrophobicContact CG2-CG 3.89Å; P1586-L1590 PolarHBondContact O-N 3.12Å; E1587-L1590 PolarHBondContact O-N 3.3Å; L1590-T1593 WeakPolarHBondContact CA-OG1 3.46Å; L1590-T1593 PolarHBondContact O-OG1 3.28Å; L1590-Q1594 VanDerWaalsContact O-CB 3.29Å; L1590-Q1594 WeakPolarHBondContact O-CB 3.34Å; L1590-Q1594 PolarHBondContact O-N 3.03Å |
| 1591 | L | 74 | Confident | 73 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.6 | -161.4 | 84.6 | 0 | 0 | 0 | 111 | E1587 Q1594 Q1595 | E1587-L1591 WeakPolarHBondContact O-CB 3.28Å; E1587-L1591 PolarHBondContact O-N 3.28Å; L1591-Q1594 PolarHBondContact O-N 2.67Å; L1591-Q1595 WeakPolarHBondContact O-CG 3.36Å; L1591-Q1595 PolarHBondContact O-N 2.86Å |
| 1592 | K | 80.1 | Confident | 74.4 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 177 | -174.5 | 172.8 | -178.7 | -79.9 | 0 | 112.1 | D1588 Q1594 Q1595 E1596 | D1588-K1592 VanDerWaalsContact O-CB 3.32Å; D1588-K1592 WeakPolarHBondContact O-CB 3.2Å; D1588-K1592 PolarHBondContact O-N 3.06Å; K1592-Q1594 VanDerWaalsContact C-N 3.32Å; K1592-Q1594 PolarHBondContact O-N 3.12Å; K1592-Q1595 PolarHBondContact O-N 3.07Å; K1592-E1596 WeakPolarHBondContact CE-OE1 3.33Å; K1592-E1596 IonicContact NZ-OE1 3.73Å; K1592-E1596 PolarHBondContact NZ-OE1 3.24Å; K1592-E1596 WeakPolarHBondContact O-CB 3.46Å; K1592-E1596 WeakPolarHBondContact O-CG 3.21Å; K1592-E1596 PolarHBondContact O-N 3.05Å |
| 1593 | T | 76.1 | Confident | 75.8 | Confident | 57 Ų | 57 | 100.2 Ų | 100.2 | 35% | 0.35 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -32.8 | 176.4 | 47 | 0 | 0 | 0 | 0 | 112.4 | E1589 L1590 E1596 L1597 | E1589-T1593 WeakPolarHBondContact O-CB 3.26Å; E1589-T1593 WeakPolarHBondContact O-CG2 3.22Å; E1589-T1593 PolarHBondContact O-N 3.4Å; E1589-T1593 PolarHBondContact O-OG1 3.13Å; L1590-T1593 WeakPolarHBondContact CA-OG1 3.46Å; L1590-T1593 PolarHBondContact O-OG1 3.28Å; T1593-E1596 PolarHBondContact O-N 3.4Å; T1593-L1597 WeakPolarHBondContact O-CB 3.2Å; T1593-L1597 VanDerWaalsContact O-CG 3.26Å; T1593-L1597 WeakPolarHBondContact O-CG 3.3Å; T1593-L1597 PolarHBondContact O-N 3.3Å |
| 1594 | Q | 78.2 | Confident | 76.9 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 170.1 | -173.5 | -178.3 | 46.2 | 0 | 0 | 112 | L1590 L1591 K1592 L1597 F1598 | L1590-Q1594 VanDerWaalsContact O-CB 3.29Å; L1590-Q1594 WeakPolarHBondContact O-CB 3.34Å; L1590-Q1594 PolarHBondContact O-N 3.03Å; L1591-Q1594 PolarHBondContact O-N 2.67Å; K1592-Q1594 VanDerWaalsContact C-N 3.32Å; K1592-Q1594 PolarHBondContact O-N 3.12Å; Q1594-L1597 PolarHBondContact O-N 2.83Å; Q1594-F1598 HydrophobicContact CG-CD2 3.85Å; Q1594-F1598 HydrophobicContact CG-CE2 3.59Å; Q1594-F1598 VanDerWaalsContact O-CD2 3.25Å; Q1594-F1598 WeakPolarHBondContact O-CD2 3.41Å; Q1594-F1598 PolarHBondContact O-N 3.1Å |
| 1595 | Q | 82.3 | Confident | 77.8 | Confident | 119 Ų | 119 | 103.3 Ų | 103.3 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 175.6 | -72.9 | 176.6 | 17.7 | 0 | 0 | 112.2 | L1591 K1592 F1598 A1599 | L1591-Q1595 WeakPolarHBondContact O-CG 3.36Å; L1591-Q1595 PolarHBondContact O-N 2.86Å; K1592-Q1595 PolarHBondContact O-N 3.07Å; Q1595-F1598 PolarHBondContact O-N 3.09Å; Q1595-A1599 VanDerWaalsContact O-CB 3.31Å; Q1595-A1599 WeakPolarHBondContact O-CB 3.37Å; Q1595-A1599 PolarHBondContact O-N 3.16Å |
| 1596 | E | 84.1 | Confident | 78.4 | Confident | 95 Ų | 95 | 101.6 Ų | 101.6 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 174.8 | -74.1 | 172.6 | -175.5 | 0 | 0 | 111.8 | K1592 T1593 A1599 K1600 | K1592-E1596 WeakPolarHBondContact CE-OE1 3.33Å; K1592-E1596 IonicContact NZ-OE1 3.73Å; K1592-E1596 PolarHBondContact NZ-OE1 3.24Å; K1592-E1596 WeakPolarHBondContact O-CB 3.46Å; K1592-E1596 WeakPolarHBondContact O-CG 3.21Å; K1592-E1596 PolarHBondContact O-N 3.05Å; T1593-E1596 PolarHBondContact O-N 3.4Å; E1596-A1599 PolarHBondContact O-N 2.99Å; E1596-K1600 VanDerWaalsContact O-CB 3.25Å; E1596-K1600 WeakPolarHBondContact O-CB 3.47Å; E1596-K1600 PolarHBondContact O-N 2.96Å |
| 1597 | L | 80.3 | Confident | 78.9 | Confident | 121 Ų | 121 | 101 Ų | 101 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 172.8 | -76.6 | 167.9 | 0 | 0 | 0 | 112.2 | T1593 Q1594 K1600 A1601 | T1593-L1597 WeakPolarHBondContact O-CB 3.2Å; T1593-L1597 VanDerWaalsContact O-CG 3.26Å; T1593-L1597 WeakPolarHBondContact O-CG 3.3Å; T1593-L1597 PolarHBondContact O-N 3.3Å; Q1594-L1597 PolarHBondContact O-N 2.83Å; L1597-K1600 PolarHBondContact O-N 3.12Å; L1597-A1601 WeakPolarHBondContact O-CB 3.16Å; L1597-A1601 PolarHBondContact O-N 3.05Å |
| 1598 | F | 78.1 | Confident | 79.5 | Confident | 117 Ų | 117 | 95.9 Ų | 95.9 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 174.8 | -78.5 | -52.2 | 0 | 0 | 0 | 112.9 | Q1594 Q1595 R1602 | Q1594-F1598 HydrophobicContact CG-CD2 3.85Å; Q1594-F1598 HydrophobicContact CG-CE2 3.59Å; Q1594-F1598 VanDerWaalsContact O-CD2 3.25Å; Q1594-F1598 WeakPolarHBondContact O-CD2 3.41Å; Q1594-F1598 PolarHBondContact O-N 3.1Å; Q1595-F1598 PolarHBondContact O-N 3.09Å; F1598-R1602 VanDerWaalsContact O-CG 3.32Å; F1598-R1602 WeakPolarHBondContact O-CG 3.37Å; F1598-R1602 PolarHBondContact O-N 3.22Å; F1598-R1602 VanDerWaalsContact O-N 3.11Å |
| 1599 | A | 83.2 | Confident | 79.6 | Confident | 56 Ų | 56 | 94 Ų | 94 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q1595 E1596 R1602 L1603 | Q1595-A1599 VanDerWaalsContact O-CB 3.31Å; Q1595-A1599 WeakPolarHBondContact O-CB 3.37Å; Q1595-A1599 PolarHBondContact O-N 3.16Å; E1596-A1599 PolarHBondContact O-N 2.99Å; A1599-R1602 PolarHBondContact O-N 3.35Å; A1599-L1603 PolarHBondContact O-N 2.81Å |
| 1600 | K | 84.8 | Confident | 79.8 | Confident | 115 Ų | 115 | 95.7 Ų | 95.7 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.2 | -178.6 | 177.2 | 168.7 | -176.2 | 0 | 111.8 | E1596 L1597 R1602 L1603 E1604 | E1596-K1600 VanDerWaalsContact O-CB 3.25Å; E1596-K1600 WeakPolarHBondContact O-CB 3.47Å; E1596-K1600 PolarHBondContact O-N 2.96Å; L1597-K1600 PolarHBondContact O-N 3.12Å; K1600-R1602 VanDerWaalsContact C-N 3.32Å; K1600-R1602 PolarHBondContact O-N 3.47Å; K1600-L1603 CarbonylContact O-C 3.44Å; K1600-L1603 WeakPolarHBondContact O-CA 3.42Å; K1600-L1603 WeakPolarHBondContact O-CB 3.39Å; K1600-L1603 PolarHBondContact O-N 2.9Å; K1600-E1604 WeakPolarHBondContact CE-OE1 3.26Å; K1600-E1604 WeakPolarHBondContact CE-OE2 3.36Å; K1600-E1604 HydrophobicContact CG-CG 4.4Å; K1600-E1604 IonicContact NZ-OE1 3.51Å; K1600-E1604 PolarHBondContact NZ-OE1 3.09Å; K1600-E1604 VanDerWaalsContact NZ-OE1 3.17Å; K1600-E1604 PolarHBondContact O-N 2.82Å |
| 1601 | A | 78.1 | Confident | 80.2 | Confident | 51 Ų | 51 | 98.9 Ų | 98.9 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1597 E1604 Q1605 | L1597-A1601 WeakPolarHBondContact O-CB 3.16Å; L1597-A1601 PolarHBondContact O-N 3.05Å; A1601-E1604 PolarHBondContact O-N 3.24Å; A1601-Q1605 WeakPolarHBondContact O-CB 3.32Å; A1601-Q1605 PolarHBondContact O-N 2.99Å |
| 1602 | R | 82.7 | Confident | 80.3 | Confident | 185 Ų | 185 | 101.3 Ų | 101.3 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -36.4 | 172.4 | -70.3 | 177.8 | -158 | -157 | 5.8 | 112.6 | F1598 A1599 K1600 A1606 | F1598-R1602 VanDerWaalsContact O-CG 3.32Å; F1598-R1602 WeakPolarHBondContact O-CG 3.37Å; F1598-R1602 PolarHBondContact O-N 3.22Å; F1598-R1602 VanDerWaalsContact O-N 3.11Å; A1599-R1602 PolarHBondContact O-N 3.35Å; K1600-R1602 VanDerWaalsContact C-N 3.32Å; K1600-R1602 PolarHBondContact O-N 3.47Å; R1602-A1606 VanDerWaalsContact O-CB 3.26Å; R1602-A1606 WeakPolarHBondContact O-CB 3.19Å; R1602-A1606 PolarHBondContact O-N 3.15Å |
| 1603 | L | 84.1 | Confident | 80.4 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -45.8 | 174.9 | -109.5 | 166.4 | 0 | 0 | 0 | 111.4 | A1599 K1600 A1606 T1607 | A1599-L1603 PolarHBondContact O-N 2.81Å; K1600-L1603 CarbonylContact O-C 3.44Å; K1600-L1603 WeakPolarHBondContact O-CA 3.42Å; K1600-L1603 WeakPolarHBondContact O-CB 3.39Å; K1600-L1603 PolarHBondContact O-N 2.9Å; L1603-A1606 PolarHBondContact O-N 2.91Å; L1603-T1607 WeakPolarHBondContact O-CG2 3.49Å; L1603-T1607 PolarHBondContact O-N 3.41Å; L1603-T1607 PolarHBondContact O-OG1 2.78Å; L1603-T1607 VanDerWaalsContact O-OG1 3.09Å |
| 1604 | E | 79.6 | Confident | 80.5 | Confident | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 177 | -72.7 | 175.9 | 151.3 | 0 | 0 | 111.3 | K1600 A1601 T1607 A1608 | K1600-E1604 WeakPolarHBondContact CE-OE1 3.26Å; K1600-E1604 WeakPolarHBondContact CE-OE2 3.36Å; K1600-E1604 HydrophobicContact CG-CG 4.4Å; K1600-E1604 IonicContact NZ-OE1 3.51Å; K1600-E1604 PolarHBondContact NZ-OE1 3.09Å; K1600-E1604 VanDerWaalsContact NZ-OE1 3.17Å; K1600-E1604 PolarHBondContact O-N 2.82Å; A1601-E1604 PolarHBondContact O-N 3.24Å; E1604-T1607 WeakPolarHBondContact CA-OG1 3.41Å; E1604-T1607 PolarHBondContact O-N 3.04Å; E1604-T1607 PolarHBondContact O-OG1 3.11Å; E1604-A1608 WeakPolarHBondContact O-CB 3.17Å; E1604-A1608 PolarHBondContact O-N 3.35Å |
| 1605 | Q | 77.7 | Confident | 80.8 | Confident | 117 Ų | 117 | 101.7 Ų | 101.7 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 171.7 | -177.2 | 177.7 | -15.4 | 0 | 0 | 111.9 | A1601 T1607 A1608 E1609 | A1601-Q1605 WeakPolarHBondContact O-CB 3.32Å; A1601-Q1605 PolarHBondContact O-N 2.99Å; Q1605-T1607 VanDerWaalsContact C-N 3.31Å; Q1605-T1607 PolarHBondContact O-N 3.43Å; Q1605-A1608 WeakPolarHBondContact O-CB 3.5Å; Q1605-A1608 PolarHBondContact O-N 3.03Å; Q1605-A1608 VanDerWaalsContact O-N 3.11Å; Q1605-E1609 HydrophobicContact CG-CG 4.48Å; Q1605-E1609 VanDerWaalsContact CG-OE1 3.3Å; Q1605-E1609 WeakPolarHBondContact CG-OE1 3.35Å; Q1605-E1609 PolarHBondContact NE2-OE1 3.01Å; Q1605-E1609 WeakPolarHBondContact O-CG 3.35Å; Q1605-E1609 PolarHBondContact O-N 3.48Å |
| 1606 | A | 81.7 | Confident | 80.5 | Confident | 44 Ų | 44 | 102.3 Ų | 102.3 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1602 L1603 Q1610 | R1602-A1606 VanDerWaalsContact O-CB 3.26Å; R1602-A1606 WeakPolarHBondContact O-CB 3.19Å; R1602-A1606 PolarHBondContact O-N 3.15Å; L1603-A1606 PolarHBondContact O-N 2.91Å; A1606-Q1610 WeakPolarHBondContact O-CB 3.3Å; A1606-Q1610 WeakPolarHBondContact O-CG 3.32Å; A1606-Q1610 PolarHBondContact O-N 2.96Å |
| 1607 | T | 83.3 | Confident | 80.3 | Confident | 62 Ų | 62 | 103.5 Ų | 103.5 | 38% | 0.38 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.7 | -33.3 | 172.9 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | L1603 E1604 Q1605 Q1610 L1611 | L1603-T1607 WeakPolarHBondContact O-CG2 3.49Å; L1603-T1607 PolarHBondContact O-N 3.41Å; L1603-T1607 PolarHBondContact O-OG1 2.78Å; L1603-T1607 VanDerWaalsContact O-OG1 3.09Å; E1604-T1607 WeakPolarHBondContact CA-OG1 3.41Å; E1604-T1607 PolarHBondContact O-N 3.04Å; E1604-T1607 PolarHBondContact O-OG1 3.11Å; Q1605-T1607 VanDerWaalsContact C-N 3.31Å; Q1605-T1607 PolarHBondContact O-N 3.43Å; T1607-Q1610 PolarHBondContact O-N 3.46Å; T1607-L1611 WeakPolarHBondContact O-CB 3.24Å; T1607-L1611 VanDerWaalsContact O-CG 3.28Å; T1607-L1611 WeakPolarHBondContact O-CG 3.43Å; T1607-L1611 PolarHBondContact O-N 3.19Å |
| 1608 | A | 76.7 | Confident | 80.2 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | E1604 Q1605 L1611 Q1612 | E1604-A1608 WeakPolarHBondContact O-CB 3.17Å; E1604-A1608 PolarHBondContact O-N 3.35Å; Q1605-A1608 WeakPolarHBondContact O-CB 3.5Å; Q1605-A1608 PolarHBondContact O-N 3.03Å; Q1605-A1608 VanDerWaalsContact O-N 3.11Å; A1608-L1611 PolarHBondContact O-N 3.43Å; A1608-Q1612 WeakPolarHBondContact O-CB 3.42Å; A1608-Q1612 PolarHBondContact O-N 2.85Å |
| 1609 | E | 77.1 | Confident | 80.1 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.7 | -72.1 | 169.4 | -169.9 | 0 | 0 | 111.3 | Q1605 Q1612 V1613 | Q1605-E1609 HydrophobicContact CG-CG 4.48Å; Q1605-E1609 VanDerWaalsContact CG-OE1 3.3Å; Q1605-E1609 WeakPolarHBondContact CG-OE1 3.35Å; Q1605-E1609 PolarHBondContact NE2-OE1 3.01Å; Q1605-E1609 WeakPolarHBondContact O-CG 3.35Å; Q1605-E1609 PolarHBondContact O-N 3.48Å; E1609-Q1612 PolarHBondContact O-N 2.81Å; E1609-V1613 WeakPolarHBondContact O-CB 3.49Å; E1609-V1613 WeakPolarHBondContact O-CG2 3.5Å; E1609-V1613 PolarHBondContact O-N 2.76Å |
| 1610 | Q | 79.9 | Confident | 79.7 | Confident | 142 Ų | 142 | 107.5 Ų | 107.5 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 174 | -81.3 | -171.4 | -26.6 | 0 | 0 | 113.2 | A1606 T1607 Q1612 V1613 S1614 | A1606-Q1610 WeakPolarHBondContact O-CB 3.3Å; A1606-Q1610 WeakPolarHBondContact O-CG 3.32Å; A1606-Q1610 PolarHBondContact O-N 2.96Å; T1607-Q1610 PolarHBondContact O-N 3.46Å; Q1610-Q1612 VanDerWaalsContact C-N 3.35Å; Q1610-V1613 PolarHBondContact O-N 3.44Å; Q1610-S1614 WeakPolarHBondContact O-CB 3.45Å; Q1610-S1614 PolarHBondContact O-N 3.09Å; Q1610-S1614 PolarHBondContact O-OG 3.06Å |
| 1611 | L | 82.9 | Confident | 79.4 | Confident | 117 Ų | 117 | 108 Ų | 108 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -38 | 176.2 | -76.2 | 168 | 0 | 0 | 0 | 111.8 | T1607 A1608 S1614 W1615 | T1607-L1611 WeakPolarHBondContact O-CB 3.24Å; T1607-L1611 VanDerWaalsContact O-CG 3.28Å; T1607-L1611 WeakPolarHBondContact O-CG 3.43Å; T1607-L1611 PolarHBondContact O-N 3.19Å; A1608-L1611 PolarHBondContact O-N 3.43Å; L1611-S1614 WeakPolarHBondContact CA-OG 3.24Å; L1611-S1614 PolarHBondContact O-N 3.23Å; L1611-S1614 PolarHBondContact O-OG 3.07Å; L1611-S1614 VanDerWaalsContact O-OG 3.09Å; L1611-W1615 VanDerWaalsContact O-CB 3.22Å; L1611-W1615 WeakPolarHBondContact O-CB 3.36Å; L1611-W1615 PolarHBondContact O-N 2.99Å |
| 1612 | Q | 76.2 | Confident | 79.2 | Confident | 139 Ų | 139 | 111.4 Ų | 111.4 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -41.2 | 177.4 | -162.5 | 171.6 | 21.7 | 0 | 0 | 111.4 | A1608 E1609 Q1610 F1616 | A1608-Q1612 WeakPolarHBondContact O-CB 3.42Å; A1608-Q1612 PolarHBondContact O-N 2.85Å; E1609-Q1612 PolarHBondContact O-N 2.81Å; Q1610-Q1612 VanDerWaalsContact C-N 3.35Å; Q1612-F1616 WeakPolarHBondContact O-CB 3.48Å; Q1612-F1616 PolarHBondContact O-N 3.02Å |
| 1613 | V | 80.8 | Confident | 78.8 | Confident | 99 Ų | 99 | 109 Ų | 109 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.7 | -44.5 | 172.6 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | E1609 Q1610 W1615 F1616 Q1617 | E1609-V1613 WeakPolarHBondContact O-CB 3.49Å; E1609-V1613 WeakPolarHBondContact O-CG2 3.5Å; E1609-V1613 PolarHBondContact O-N 2.76Å; Q1610-V1613 PolarHBondContact O-N 3.44Å; V1613-W1615 VanDerWaalsContact C-N 3.35Å; V1613-W1615 PolarHBondContact O-N 2.75Å; V1613-F1616 PolarHBondContact O-N 3.49Å; V1613-Q1617 WeakPolarHBondContact O-CB 3.35Å; V1613-Q1617 PolarHBondContact O-N 3.32Å |
| 1614 | S | 79.3 | Confident | 78.3 | Confident | 53 Ų | 53 | 105.8 Ų | 105.8 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 178.8 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | Q1610 L1611 Q1617 Q1618 | Q1610-S1614 WeakPolarHBondContact O-CB 3.45Å; Q1610-S1614 PolarHBondContact O-N 3.09Å; Q1610-S1614 PolarHBondContact O-OG 3.06Å; L1611-S1614 WeakPolarHBondContact CA-OG 3.24Å; L1611-S1614 PolarHBondContact O-N 3.23Å; L1611-S1614 PolarHBondContact O-OG 3.07Å; L1611-S1614 VanDerWaalsContact O-OG 3.09Å; S1614-Q1617 PolarHBondContact O-N 3.12Å; S1614-Q1618 WeakPolarHBondContact O-CB 3.41Å; S1614-Q1618 PolarHBondContact O-N 3.48Å |
| 1615 | W | 83.4 | Confident | 78.1 | Confident | 132 Ų | 132 | 109.3 Ų | 109.3 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 174.4 | -180 | 82.3 | 0 | 0 | 0 | 111.9 | L1611 V1613 Q1617 Q1618 R1619 | L1611-W1615 VanDerWaalsContact O-CB 3.22Å; L1611-W1615 WeakPolarHBondContact O-CB 3.36Å; L1611-W1615 PolarHBondContact O-N 2.99Å; V1613-W1615 VanDerWaalsContact C-N 3.35Å; V1613-W1615 PolarHBondContact O-N 2.75Å; W1615-Q1617 VanDerWaalsContact C-N 3.32Å; W1615-Q1617 PolarHBondContact O-N 3.01Å; W1615-Q1618 WeakPolarHBondContact O-CB 3.37Å; W1615-Q1618 PolarHBondContact O-N 3.26Å; W1615-R1619 PolarHBondContact O-N 3.03Å |
| 1616 | F | 76.9 | Confident | 77.8 | Confident | 132 Ų | 132 | 108.7 Ų | 108.7 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.9 | -38.8 | 175.1 | -162.8 | -94.5 | 0 | 0 | 0 | 111.8 | Q1612 V1613 R1619 L1620 | Q1612-F1616 WeakPolarHBondContact O-CB 3.48Å; Q1612-F1616 PolarHBondContact O-N 3.02Å; V1613-F1616 PolarHBondContact O-N 3.49Å; F1616-R1619 PolarHBondContact O-N 3.39Å; F1616-L1620 HydrophobicContact CD1-CD1 3.83Å; F1616-L1620 HydrophobicContact CD1-CG 4.41Å; F1616-L1620 HydrophobicContact CE1-CD1 3.78Å; F1616-L1620 HydrophobicContact CE1-CG 4.3Å; F1616-L1620 PolarHBondContact O-N 3.34Å |
| 1617 | Q | 79.3 | Confident | 77.3 | Confident | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.4 | -34.6 | 175.4 | -165.9 | 169.3 | 48.6 | 0 | 0 | 112.5 | V1613 S1614 W1615 L1620 Q1621 | V1613-Q1617 WeakPolarHBondContact O-CB 3.35Å; V1613-Q1617 PolarHBondContact O-N 3.32Å; S1614-Q1617 PolarHBondContact O-N 3.12Å; W1615-Q1617 VanDerWaalsContact C-N 3.32Å; W1615-Q1617 PolarHBondContact O-N 3.01Å; Q1617-L1620 PolarHBondContact O-N 3.31Å; Q1617-Q1621 WeakPolarHBondContact O-CG 3.34Å; Q1617-Q1621 PolarHBondContact O-N 2.89Å |
| 1618 | Q | 78.3 | Confident | 76.7 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.5 | -48.3 | 170 | -111.5 | 179 | -30.5 | 0 | 0 | 111.3 | S1614 W1615 L1620 Q1621 E1622 | S1614-Q1618 WeakPolarHBondContact O-CB 3.41Å; S1614-Q1618 PolarHBondContact O-N 3.48Å; W1615-Q1618 WeakPolarHBondContact O-CB 3.37Å; W1615-Q1618 PolarHBondContact O-N 3.26Å; Q1618-L1620 VanDerWaalsContact C-N 3.3Å; Q1618-L1620 PolarHBondContact O-N 2.96Å; Q1618-Q1621 CarbonylContact O-C 3.34Å; Q1618-Q1621 WeakPolarHBondContact O-CA 3.49Å; Q1618-Q1621 PolarHBondContact O-N 2.96Å; Q1618-E1622 PolarHBondContact O-N 3.36Å |
| 1619 | R | 76 | Confident | 76.3 | Confident | 149 Ų | 149 | 118.5 Ų | 118.5 | 56% | 0.562 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.9 | -41.1 | 175.7 | -106.2 | -173.2 | 169.4 | -161.5 | -3.1 | 112.3 | W1615 F1616 E1622 H1623 | W1615-R1619 PolarHBondContact O-N 3.03Å; F1616-R1619 PolarHBondContact O-N 3.39Å; R1619-E1622 PolarHBondContact O-N 3.38Å; R1619-H1623 WeakPolarHBondContact O-CB 3.29Å; R1619-H1623 PolarHBondContact O-N 2.92Å |
| 1620 | L | 75.7 | Confident | 75.4 | Confident | 104 Ų | 104 | 120 Ų | 120 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -38.2 | 173.6 | -79.5 | 168.1 | 0 | 0 | 0 | 112.7 | F1616 Q1617 Q1618 A1624 | F1616-L1620 HydrophobicContact CD1-CD1 3.83Å; F1616-L1620 HydrophobicContact CD1-CG 4.41Å; F1616-L1620 HydrophobicContact CE1-CD1 3.78Å; F1616-L1620 HydrophobicContact CE1-CG 4.3Å; F1616-L1620 PolarHBondContact O-N 3.34Å; Q1617-L1620 PolarHBondContact O-N 3.31Å; Q1618-L1620 VanDerWaalsContact C-N 3.3Å; Q1618-L1620 PolarHBondContact O-N 2.96Å; L1620-A1624 WeakPolarHBondContact O-CB 3.41Å; L1620-A1624 PolarHBondContact O-N 3.48Å |
| 1621 | Q | 77.5 | Confident | 74.3 | Confident | 125 Ų | 125 | 119.9 Ų | 119.9 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.9 | -35.1 | 175.3 | -74.5 | -174.8 | -3.2 | 0 | 0 | 113.1 | Q1617 Q1618 R1625 | Q1617-Q1621 WeakPolarHBondContact O-CG 3.34Å; Q1617-Q1621 PolarHBondContact O-N 2.89Å; Q1618-Q1621 CarbonylContact O-C 3.34Å; Q1618-Q1621 WeakPolarHBondContact O-CA 3.49Å; Q1618-Q1621 PolarHBondContact O-N 2.96Å; Q1621-R1625 WeakPolarHBondContact O-CB 3.49Å; Q1621-R1625 WeakPolarHBondContact O-CG 3.49Å; Q1621-R1625 PolarHBondContact O-N 2.86Å |
| 1622 | E | 74.2 | Confident | 72.9 | Confident | 123 Ų | 123 | 121.1 Ų | 121.1 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -46.1 | 170.2 | -74.9 | -175.5 | 134.9 | 0 | 0 | 111 | Q1618 R1619 A1624 R1625 L1626 | Q1618-E1622 PolarHBondContact O-N 3.36Å; R1619-E1622 PolarHBondContact O-N 3.38Å; E1622-A1624 VanDerWaalsContact C-N 3.32Å; E1622-A1624 PolarHBondContact O-N 2.79Å; E1622-R1625 PolarHBondContact O-N 3.01Å; E1622-R1625 VanDerWaalsContact O-N 3.13Å; E1622-L1626 WeakPolarHBondContact O-CB 3.4Å; E1622-L1626 WeakPolarHBondContact O-CG 3.16Å; E1622-L1626 PolarHBondContact O-N 3.15Å |
| 1623 | H | 74 | Confident | 71.7 | Confident | 133 Ų | 133 | 117.3 Ų | 117.3 | 62% | 0.616 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -39.5 | 178.5 | -136.5 | -58.2 | 0 | 0 | 0 | 112.3 | R1619 Q1627 | R1619-H1623 WeakPolarHBondContact O-CB 3.29Å; R1619-H1623 PolarHBondContact O-N 2.92Å; H1623-Q1627 PolarHBondContact O-N 3.4Å |
| 1624 | A | 74.2 | Confident | 70 | Confident | 49 Ų | 49 | 118.2 Ų | 118.2 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -37.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1620 E1622 Q1627 Q1628 | L1620-A1624 WeakPolarHBondContact O-CB 3.41Å; L1620-A1624 PolarHBondContact O-N 3.48Å; E1622-A1624 VanDerWaalsContact C-N 3.32Å; E1622-A1624 PolarHBondContact O-N 2.79Å; A1624-Q1627 PolarHBondContact O-N 2.91Å; A1624-Q1628 PolarHBondContact O-N 3.46Å |
| 1625 | R | 74.4 | Confident | 68.2 | Low | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.7 | -40 | 174.1 | -85.7 | -179.8 | 163.3 | 179.3 | -4.7 | 112.6 | Q1621 E1622 Q1627 Q1628 Q1629 | Q1621-R1625 WeakPolarHBondContact O-CB 3.49Å; Q1621-R1625 WeakPolarHBondContact O-CG 3.49Å; Q1621-R1625 PolarHBondContact O-N 2.86Å; E1622-R1625 PolarHBondContact O-N 3.01Å; E1622-R1625 VanDerWaalsContact O-N 3.13Å; R1625-Q1627 VanDerWaalsContact C-N 3.34Å; R1625-Q1628 PolarHBondContact O-N 2.77Å; R1625-Q1629 WeakPolarHBondContact O-CB 3.48Å; R1625-Q1629 WeakPolarHBondContact O-CG 3.35Å; R1625-Q1629 PolarHBondContact O-N 3.16Å |
| 1626 | L | 73 | Confident | 66.3 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 173.8 | -71.7 | 169.1 | 0 | 0 | 0 | 110.5 | E1622 Q1628 Q1629 Q1630 | E1622-L1626 WeakPolarHBondContact O-CB 3.4Å; E1622-L1626 WeakPolarHBondContact O-CG 3.16Å; E1622-L1626 PolarHBondContact O-N 3.15Å; L1626-Q1628 VanDerWaalsContact C-N 3.34Å; L1626-Q1628 PolarHBondContact O-N 3.39Å; L1626-Q1629 PolarHBondContact O-N 2.99Å; L1626-Q1630 WeakPolarHBondContact O-CB 3.45Å; L1626-Q1630 PolarHBondContact O-N 3.14Å |
| 1627 | Q | 69.5 | Low | 64.5 | Low | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.6 | -40.3 | 172.9 | -120.7 | 176.5 | 4.7 | 0 | 0 | 112.8 | H1623 A1624 R1625 Q1631 | H1623-Q1627 PolarHBondContact O-N 3.4Å; A1624-Q1627 PolarHBondContact O-N 2.91Å; R1625-Q1627 VanDerWaalsContact C-N 3.34Å; Q1627-Q1631 WeakPolarHBondContact O-CG 3.41Å; Q1627-Q1631 PolarHBondContact O-N 3.25Å |
| 1628 | Q | 70.6 | Confident | 62.5 | Low | 122 Ų | 122 | 111.1 Ų | 111.1 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.6 | -37.9 | 173.8 | -75.9 | -170.7 | -38.3 | 0 | 0 | 113.1 | A1624 R1625 L1626 Q1630 Q1631 Q1632 | A1624-Q1628 PolarHBondContact O-N 3.46Å; R1625-Q1628 PolarHBondContact O-N 2.77Å; L1626-Q1628 VanDerWaalsContact C-N 3.34Å; L1626-Q1628 PolarHBondContact O-N 3.39Å; Q1628-Q1630 VanDerWaalsContact C-N 3.35Å; Q1628-Q1631 PolarHBondContact O-N 2.81Å; Q1628-Q1632 WeakPolarHBondContact O-CB 3.46Å; Q1628-Q1632 WeakPolarHBondContact O-CG 3.26Å; Q1628-Q1632 PolarHBondContact O-N 3.06Å |
| 1629 | Q | 68.2 | Low | 60.2 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.4 | -34.5 | 175.6 | -78.1 | -175.8 | -27.7 | 0 | 0 | 112 | R1625 L1626 Q1632 A1633 | R1625-Q1629 WeakPolarHBondContact O-CB 3.48Å; R1625-Q1629 WeakPolarHBondContact O-CG 3.35Å; R1625-Q1629 PolarHBondContact O-N 3.16Å; L1626-Q1629 PolarHBondContact O-N 2.99Å; Q1629-Q1632 CarbonylContact O-C 3.55Å; Q1629-Q1632 PolarHBondContact O-N 3.09Å; Q1629-A1633 WeakPolarHBondContact O-CB 3.39Å; Q1629-A1633 PolarHBondContact O-N 3.37Å |
| 1630 | Q | 58.4 | Low | 58 | Low | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -46.8 | 174.1 | -156.5 | 161 | 19 | 0 | 0 | 110.5 | L1626 Q1628 Q1632 A1633 D1634 | L1626-Q1630 WeakPolarHBondContact O-CB 3.45Å; L1626-Q1630 PolarHBondContact O-N 3.14Å; Q1628-Q1630 VanDerWaalsContact C-N 3.35Å; Q1630-Q1632 PolarHBondContact O-N 2.93Å; Q1630-A1633 PolarHBondContact O-N 3.11Å; Q1630-A1633 VanDerWaalsContact O-N 3.1Å; Q1630-D1634 PolarHBondContact O-N 2.9Å |
| 1631 | Q | 57.5 | Low | 55.7 | Low | 139 Ų | 139 | 108.2 Ų | 108.2 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.4 | -25.2 | 172.1 | -72.1 | 177.1 | -8.3 | 0 | 0 | 114.1 | Q1627 Q1628 G1635 | Q1627-Q1631 WeakPolarHBondContact O-CG 3.41Å; Q1627-Q1631 PolarHBondContact O-N 3.25Å; Q1628-Q1631 PolarHBondContact O-N 2.81Å; Q1631-G1635 PolarHBondContact O-N 3.17Å |
| 1632 | Q | 54.4 | Low | 53.6 | Low | 144 Ų | 144 | 109.5 Ų | 109.5 | 67% | 0.673 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.4 | -27.4 | 173.2 | -76.1 | -177.2 | -22.7 | 0 | 0 | 113.3 | Q1628 Q1629 Q1630 G1635 A1636 | Q1628-Q1632 WeakPolarHBondContact O-CB 3.46Å; Q1628-Q1632 WeakPolarHBondContact O-CG 3.26Å; Q1628-Q1632 PolarHBondContact O-N 3.06Å; Q1629-Q1632 CarbonylContact O-C 3.55Å; Q1629-Q1632 PolarHBondContact O-N 3.09Å; Q1630-Q1632 PolarHBondContact O-N 2.93Å; Q1632-G1635 PolarHBondContact O-N 2.87Å; Q1632-A1636 WeakPolarHBondContact O-CB 3.49Å; Q1632-A1636 PolarHBondContact O-N 2.77Å |
| 1633 | A | 50.7 | Low | 51.6 | Low | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.6 | -46.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q1629 Q1630 G1635 A1636 | Q1629-A1633 WeakPolarHBondContact O-CB 3.39Å; Q1629-A1633 PolarHBondContact O-N 3.37Å; Q1630-A1633 PolarHBondContact O-N 3.11Å; Q1630-A1633 VanDerWaalsContact O-N 3.1Å; A1633-G1635 PolarHBondContact O-N 3.42Å; A1633-A1636 PolarHBondContact O-N 2.87Å |
| 1634 | D | 43.9 | Very low | 49.6 | Very low | 117 Ų | 117 | 109 Ų | 109 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -20.9 | 175.1 | -62.2 | -26.2 | 0 | 0 | 0 | 112.4 | Q1630 S1637 | Q1630-D1634 PolarHBondContact O-N 2.9Å; D1634-S1637 PolarHBondContact O-OG 3.22Å |
| 1635 | G | 42.1 | Very low | 47.4 | Very low | 55 Ų | 55 | 115.8 Ų | 115.8 | 57% | 0.567 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -14.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1631 Q1632 A1633 | Q1631-G1635 PolarHBondContact O-N 3.17Å; Q1632-G1635 PolarHBondContact O-N 2.87Å; A1633-G1635 PolarHBondContact O-N 3.42Å |
| 1636 | A | 42.9 | Very low | 45.4 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -15.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1632 A1633 | Q1632-A1636 WeakPolarHBondContact O-CB 3.49Å; Q1632-A1636 PolarHBondContact O-N 2.77Å; A1633-A1636 PolarHBondContact O-N 2.87Å |
| 1637 | S | 40.4 | Very low | 43.4 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -27 | 178 | 48.4 | 0 | 0 | 0 | 0 | 114 | D1634 A1639 | D1634-S1637 PolarHBondContact O-OG 3.22Å; S1637-A1639 VanDerWaalsContact C-N 3.34Å; S1637-A1639 PolarHBondContact O-N 3.42Å |
| 1638 | N | 35.8 | Very low | 41.5 | Very low | 79 Ų | 79 | 112 Ų | 112 | 42% | 0.422 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | 20.1 | -168.9 | -71.9 | 23 | 0 | 0 | 0 | 114.2 | D1052 | D1052-N1638 PolarHBondContact OD2-ND2 2.83Š|
| 1639 | A | 31.2 | Very low | 39.6 | Very low | 85 Ų | 85 | 110.8 Ų | 110.8 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -131 | 41.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1637 | S1637-A1639 VanDerWaalsContact C-N 3.34Å; S1637-A1639 PolarHBondContact O-N 3.42Å |
| 1640 | C | 29.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -146.5 | 54 | 176.3 | -152.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1641 | S | 27 | Very low | 36.4 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -154.6 | 63 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1642 | T | 32.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 114.7 Ų | 114.7 | 93% | 0.933 | 71% | 0.71 | S | S | * | * | trans | -177.5 | 107.7 | 142.3 | 35.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1643 | A | 34 | Very low | 33.6 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | trans | -167.1 | 146 | 149 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1644 | N | 30.8 | Very low | 32.5 | Very low | 140 Ų | 140 | 116.8 Ų | 116.8 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | -153.2 | 135.1 | -166.6 | -145.7 | -2.9 | 0 | 0 | 0 | 113.1 | ||||
| 1645 | F | 28.4 | Very low | 31.7 | Very low | 192 Ų | 192 | 117.6 Ų | 117.6 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | 61.1 | 152.6 | 179 | -67.3 | -95.8 | 0 | 0 | 0 | 115.9 | ||||
| 1646 | S | 31.7 | Very low | 31 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | cis | -153.1 | 157.9 | 20.6 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1647 | D | 31.9 | Very low | 30.2 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | 61 | 149.1 | 161 | -55.1 | -18.3 | 0 | 0 | 0 | 119.4 | ||||
| 1648 | G | 28.7 | Very low | 29.6 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 161.3 | 124.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1649 | A | 31.5 | Very low | 29.2 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | 65.4 | 158.2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1650 | Q | 32.1 | Very low | 29 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -157.7 | 138.2 | -15.4 | -117.7 | 172.8 | 14.3 | 0 | 0 | 111.6 | ||||
| 1651 | I | 26.7 | Very low | 29 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | 46.6 | 122.6 | 133.9 | -65.3 | 175.1 | 0 | 0 | 0 | 121.5 | ||||
| 1652 | H | 25.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 65.5 | 119.1 | 154.5 | -91.5 | -125.7 | 0 | 0 | 0 | 121.8 | ||||
| 1653 | S | 29 | Very low | 29.1 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | -137.2 | 149.8 | 118.8 | 70.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1654 | L | 25.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | -133.9 | 150.1 | 177.9 | -85.6 | 173.2 | 0 | 0 | 0 | 108.8 | ||||
| 1655 | I | 27.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | 39.7 | 103.7 | 146.3 | -53.1 | 164 | 0 | 0 | 0 | 115.9 | ||||
| 1656 | N | 28.7 | Very low | 28.7 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | -169.6 | 162.2 | 110.4 | -113.8 | -55.3 | 0 | 0 | 0 | 116.3 | |||||
| 1657 | L | 25.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -76 | -179.3 | 162.9 | -48.3 | 95.9 | 0 | 0 | 0 | 109.6 | ||||
| 1658 | R | 26.9 | Very low | 28.7 | Very low | 194 Ų | 194 | 129 Ų | 129 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | cis | -176 | 163.5 | 24.7 | -142.7 | 167.7 | -173.5 | -166.3 | 5.5 | 108.5 | ||||
| 1659 | H | 27.5 | Very low | 28.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 66.1 | 162.3 | 153.2 | -65.8 | -41.9 | 0 | 0 | 0 | 118.1 | ||||
| 1660 | V | 27.2 | Very low | 28.7 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -148.2 | 146 | -6.4 | 103.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1661 | S | 29.9 | Very low | 28.7 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -156.5 | 131.9 | 134.2 | -165.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1662 | S | 30.4 | Very low | 28.9 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | -32.6 | 162.6 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1663 | K | 30.8 | Very low | 29.2 | Very low | 208 Ų | 208 | 137 Ų | 137 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | cis | -149.8 | 174.3 | 28.3 | -142 | 164.1 | -168.3 | -177.4 | 0 | 112.3 | ||||
| 1664 | A | 28 | Very low | 29.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -130.9 | 147.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1665 | A | 31.2 | Very low | 29.6 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -176.8 | 132.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1666 | A | 27.2 | Very low | 29.7 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | 69.2 | 96.2 | 27.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1667 | D | 31.9 | Very low | 29.7 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | -168 | 140.3 | 126.3 | -94.9 | -19.4 | 0 | 0 | 0 | 112.8 | |||||
| 1668 | S | 30.8 | Very low | 30 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | 31.5 | 117.5 | 149.1 | 64 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1669 | D | 29 | Very low | 30.1 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | 77.1 | 157.9 | 109.6 | -51.3 | -29.2 | 0 | 0 | 0 | 124.9 | |||||
| 1670 | E | 32.3 | Very low | 30.3 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 80.6 | 103 | 158.7 | -76 | 167.4 | -164.1 | 0 | 0 | 121.9 | ||||
| 1671 | D | 31.9 | Very low | 30.5 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | 80.9 | 120.4 | 132.3 | -67.3 | -4.9 | 0 | 0 | 0 | 124.8 | ||||
| 1672 | Y | 30.9 | Very low | 30.5 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | 21.5 | 137.3 | 123.1 | -66.7 | -90.5 | 0 | 0 | 0 | 118.1 | |||||
| 1673 | D | 31.4 | Very low | 30.6 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | cis | -166.6 | 163.3 | 35.2 | -130.8 | -32.8 | 0 | 0 | 0 | 112 | ||||
| 1674 | A | 29.5 | Very low | 30.5 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 42.2 | 122.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1675 | E | 32.4 | Very low | 30.8 | Very low | 272 Ų | 272 | 144.8 Ų | 144.8 | 100% | 1.271 | 81% | 0.805 | S | S | * | * | -146.7 | 0 | 53.9 | -77.9 | -168.9 | 136.8 | 0 | 0 | 114 |
Retrieved 1,675 of 1,675 residues in 1085.7 ms
(Link to these results)