| 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 | 29.7 | Very low | 64.9 | Low | 250 Ų | 250 | 87.5 Ų | 87.5 | 100% | 1.232 | 50% | 0.496 | S | S | * | . | 0 | 101.2 | 0 | -71.7 | -175.4 | 167.2 | 0 | 0 | 109.2 | |||||
| 2 | S | 34.3 | Very low | 67.2 | Low | 107 Ų | 107 | 90.5 Ų | 90.5 | 75% | 0.748 | 50% | 0.499 | S | S | * | . | trans | -97 | 88.5 | -176.8 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | G | 34.9 | Very low | 68.9 | Low | 45 Ų | 45 | 84.3 Ų | 84.3 | 46% | 0.464 | 47% | 0.465 | S | S | . | . | trans | -61.4 | 158.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V5 | G3-V5 VanDerWaalsContact C-N 3.25Å; G3-V5 PolarHBondContact O-N 2.94Å | ||
| 4 | P | 46.2 | Very low | 70.5 | Confident | 137 Ų | 137 | 78.4 Ų | 78.4 | 89% | 0.89 | 43% | 0.432 | S | S | * | . | trans | -61.1 | 97.5 | 167.6 | 27.4 | -31.4 | 0 | 0 | 0 | 106.3 | D6 | P4-D6 PolarHBondContact O-N 2.65Š| ||
| 5 | V | 52.8 | Low | 72 | Confident | 52 Ų | 52 | 73.6 Ų | 73.6 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | trans | -61.6 | 120 | 172.8 | 168.4 | 0 | 0 | 0 | 0 | 105.9 | G3 I7 H9 | G3-V5 VanDerWaalsContact C-N 3.25Å; G3-V5 PolarHBondContact O-N 2.94Å; V5-I7 PolarHBondContact O-N 3.26Å; V5-H9 HydrophobicContact CG1-CB 4.32Å | ||
| 6 | D | 76.5 | Confident | 73.3 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | trans | -53.6 | 122.7 | -178.9 | -171.7 | -8.8 | 0 | 0 | 0 | 108 | P4 K8 H9 C10 | P4-D6 PolarHBondContact O-N 2.65Å; D6-K8 HydrophobicContact CB-CB 4.49Å; D6-K8 VanDerWaalsContact CG-CB 3.49Å; D6-K8 PolarHBondContact O-N 3.32Å; D6-K8 WeakPolarHBondContact OD1-CB 3.37Å; D6-K8 PolarHBondContact OD1-N 2.88Å; D6-K8 WeakPolarHBondContact OD2-CB 3.42Å; D6-H9 HydrophobicContact CB-CB 4.45Å; D6-H9 WeakPolarHBondContact O-CA 3.26Å; D6-H9 VanDerWaalsContact O-CB 3.26Å; D6-H9 WeakPolarHBondContact O-CB 3.25Å; D6-H9 PolarHBondContact O-N 3.24Å; D6-C10 PolarHBondContact O-N 3.09Å | ||
| 7 | I | 84.5 | Confident | 74.3 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -50.3 | -33.4 | 175 | -71.6 | 161.3 | 0 | 0 | 0 | 109.8 | V5 H9 C10 I11 W240 | V5-I7 PolarHBondContact O-N 3.26Å; I7-H9 VanDerWaalsContact C-N 3.27Å; I7-H9 PolarHBondContact O-N 3.2Å; I7-C10 PolarHBondContact O-N 3.38Å; I7-I11 HydrophobicContact CG2-CD1 3.72Å; I7-I11 HydrophobicContact CG2-CG1 4.24Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.09Å; I7-W240 HydrophobicContact CG2-CB 4.48Å; I7-W240 VanDerWaalsContact CG2-CD1 3.49Å; I7-W240 HydrophobicContact CG2-CD2 4.03Å; I7-W240 HydrophobicContact CG2-CG 3.77Å |
| 8 | K | 87.3 | Confident | 75.3 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 174.1 | -169 | 176.9 | -177.7 | 172.3 | 0 | 112.8 | D6 K12 | D6-K8 HydrophobicContact CB-CB 4.49Å; D6-K8 VanDerWaalsContact CG-CB 3.49Å; D6-K8 PolarHBondContact O-N 3.32Å; D6-K8 WeakPolarHBondContact OD1-CB 3.37Å; D6-K8 PolarHBondContact OD1-N 2.88Å; D6-K8 WeakPolarHBondContact OD2-CB 3.42Å; K8-K12 VanDerWaalsContact O-CB 3.3Å; K8-K12 WeakPolarHBondContact O-CB 3.01Å; K8-K12 PolarHBondContact O-N 3.31Å |
| 9 | H | 89.2 | Confident | 76.1 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.7 | -179.7 | 71.6 | 0 | 0 | 0 | 111.7 | V5 D6 I7 I11 K12 I13 | V5-H9 HydrophobicContact CG1-CB 4.32Å; D6-H9 HydrophobicContact CB-CB 4.45Å; D6-H9 WeakPolarHBondContact O-CA 3.26Å; D6-H9 VanDerWaalsContact O-CB 3.26Å; D6-H9 WeakPolarHBondContact O-CB 3.25Å; D6-H9 PolarHBondContact O-N 3.24Å; I7-H9 VanDerWaalsContact C-N 3.27Å; I7-H9 PolarHBondContact O-N 3.2Å; H9-I11 VanDerWaalsContact C-N 3.33Å; H9-I11 PolarHBondContact O-N 3.39Å; H9-K12 WeakPolarHBondContact O-CB 3.21Å; H9-K12 PolarHBondContact O-N 2.89Å; H9-I13 VanDerWaalsContact NE2-CD1 3.32Å; H9-I13 WeakPolarHBondContact NE2-CD1 3.04Å; H9-I13 PolarHBondContact O-N 3.26Å |
| 10 | C | 88.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | D6 I7 I13 F14 V233 | D6-C10 PolarHBondContact O-N 3.09Å; I7-C10 PolarHBondContact O-N 3.38Å; C10-I13 PolarHBondContact O-N 3.31Å; C10-F14 PolarHBondContact O-N 3.39Å; C10-F14 VanDerWaalsContact O-N 3.11Å; C10-V233 HydrophobicContact CB-CB 4.33Å; C10-V233 HydrophobicContact CB-CG2 4.36Å |
| 11 | I | 89.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176.1 | -65.3 | 170.4 | 0 | 0 | 0 | 110.4 | I7 H9 I13 F14 V15 A28 V31 R32 W240 | I7-I11 HydrophobicContact CG2-CD1 3.72Å; I7-I11 HydrophobicContact CG2-CG1 4.24Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.09Å; H9-I11 VanDerWaalsContact C-N 3.33Å; H9-I11 PolarHBondContact O-N 3.39Å; I11-I13 VanDerWaalsContact C-N 3.29Å; I11-I13 PolarHBondContact O-N 3.43Å; I11-F14 WeakPolarHBondContact O-CB 3.02Å; I11-F14 PolarHBondContact O-N 3.06Å; I11-V15 HydrophobicContact CG2-CG2 4.11Å; I11-V15 VanDerWaalsContact O-CG2 3.31Å; I11-V15 WeakPolarHBondContact O-CG2 3.49Å; I11-V15 PolarHBondContact O-N 3.49Å; I11-A28 HydrophobicContact CB-CB 4.21Å; I11-A28 HydrophobicContact CG2-CB 3.68Å; I11-V31 HydrophobicContact CD1-CG1 4.27Å; I11-V31 HydrophobicContact CG1-CG1 4.41Å; I11-V31 HydrophobicContact CG2-CB 3.62Å; I11-V31 HydrophobicContact CG2-CG1 3.71Å; I11-V31 HydrophobicContact CG2-CG2 4.18Å; I11-R32 HydrophobicContact CD1-CB 4.2Å; I11-W240 HydrophobicContact CD1-CD2 4.38Å; I11-W240 HydrophobicContact CD1-CE3 4.31Å; I11-W240 HydrophobicContact CD1-CH2 3.74Å; I11-W240 HydrophobicContact CD1-CZ2 3.78Å; I11-W240 HydrophobicContact CD1-CZ3 4Å; I11-W240 HydrophobicContact CG1-CE3 4.34Å; I11-W240 HydrophobicContact CG1-CH2 4.4Å; I11-W240 HydrophobicContact CG1-CZ3 4.17Å |
| 12 | K | 92.5 | Very high | 79.9 | Confident | 123 Ų | 123 | 53 Ų | 53 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 178.1 | -172.5 | 177.6 | -178 | -180 | 0 | 112 | K8 H9 V15 N16 A28 | K8-K12 VanDerWaalsContact O-CB 3.3Å; K8-K12 WeakPolarHBondContact O-CB 3.01Å; K8-K12 PolarHBondContact O-N 3.31Å; H9-K12 WeakPolarHBondContact O-CB 3.21Å; H9-K12 PolarHBondContact O-N 2.89Å; K12-V15 PolarHBondContact O-N 2.82Å; K12-N16 WeakPolarHBondContact O-CB 3.4Å; K12-N16 PolarHBondContact O-N 3.17Å; K12-N16 PolarHBondContact O-OD1 3.39Å; K12-A28 HydrophobicContact CB-CB 4.12Å |
| 13 | I | 89.4 | Confident | 82.6 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 175.7 | -68.4 | 167.3 | 0 | 0 | 0 | 111 | H9 C10 I11 V15 N16 L17 L226 W230 V233 | H9-I13 VanDerWaalsContact NE2-CD1 3.32Å; H9-I13 WeakPolarHBondContact NE2-CD1 3.04Å; H9-I13 PolarHBondContact O-N 3.26Å; C10-I13 PolarHBondContact O-N 3.31Å; I11-I13 VanDerWaalsContact C-N 3.29Å; I11-I13 PolarHBondContact O-N 3.43Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.02Å; I13-N16 PolarHBondContact O-N 3.07Å; I13-L17 PolarHBondContact O-N 3.27Å; I13-L226 HydrophobicContact CG2-CD1 4.11Å; I13-W230 HydrophobicContact CG2-CB 3.85Å; I13-W230 HydrophobicContact CG2-CE3 4.13Å; I13-V233 HydrophobicContact CB-CG2 4.14Å; I13-V233 HydrophobicContact CD1-CB 4.41Å; I13-V233 HydrophobicContact CD1-CG1 3.88Å; I13-V233 HydrophobicContact CD1-CG2 3.68Å; I13-V233 HydrophobicContact CG2-CG2 4.14Å |
| 14 | F | 91.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57 | -45.6 | 176.5 | 171.8 | -104.5 | 0 | 0 | 0 | 112.2 | C10 I11 L17 L18 L114 L120 W230 F237 | C10-F14 PolarHBondContact O-N 3.39Å; C10-F14 VanDerWaalsContact O-N 3.11Å; I11-F14 WeakPolarHBondContact O-CB 3.02Å; I11-F14 PolarHBondContact O-N 3.06Å; F14-L17 WeakPolarHBondContact O-CB 3.45Å; F14-L17 PolarHBondContact O-N 3.39Å; F14-L18 HydrophobicContact CD1-CD1 4.29Å; F14-L18 HydrophobicContact CE1-CD1 3.62Å; F14-L18 HydrophobicContact CE1-CG 4.39Å; F14-L18 HydrophobicContact CZ-CD1 3.76Å; F14-L18 HydrophobicContact CZ-CD2 4.44Å; F14-L18 HydrophobicContact CZ-CG 4.26Å; F14-L18 PolarHBondContact O-N 3.49Å; F14-L114 HydrophobicContact CE2-CD1 4.17Å; F14-L114 HydrophobicContact CZ-CD1 3.68Å; F14-L120 HydrophobicContact CE2-CD2 4.1Å; F14-W230 HydrophobicContact CB-CE3 4.37Å; F14-W230 HydrophobicContact CB-CH2 4.22Å; F14-W230 HydrophobicContact CB-CZ3 3.7Å; F14-W230 AromaticContact CD2-CH2 3.72Å; F14-W230 HydrophobicContact CD2-CH2 3.72Å; F14-W230 HydrophobicContact CD2-CZ2 4.32Å; F14-W230 HydrophobicContact CD2-CZ3 4.06Å; F14-W230 HydrophobicContact CG-CH2 4.38Å; F14-W230 HydrophobicContact CG-CZ3 4.34Å; F14-F237 HydrophobicContact CB-CD2 4.12Å; F14-F237 HydrophobicContact CB-CE2 3.91Å; F14-F237 HydrophobicContact CB-CZ 4.44Å; F14-F237 AromaticContact CD1-CE2 3.75Å; F14-F237 HydrophobicContact CD1-CE2 3.75Å; F14-F237 AromaticContact CD1-CZ 3.84Å; F14-F237 HydrophobicContact CD1-CZ 3.84Å; F14-F237 HydrophobicContact CD2-CE1 4.18Å; F14-F237 HydrophobicContact CD2-CE2 4.17Å; F14-F237 AromaticContact CD2-CZ 3.83Å; F14-F237 HydrophobicContact CD2-CZ 3.83Å; F14-F237 HydrophobicContact CE1-CE2 4.3Å; F14-F237 AromaticContact CE1-CZ 3.98Å; F14-F237 HydrophobicContact CE1-CZ 3.98Å; F14-F237 HydrophobicContact CE2-CE1 4.28Å; F14-F237 AromaticContact CE2-CZ 3.96Å; F14-F237 HydrophobicContact CE2-CZ 3.96Å; F14-F237 HydrophobicContact CG-CD2 4.31Å; F14-F237 HydrophobicContact CG-CE1 4.5Å; F14-F237 AromaticContact CG-CE2 3.66Å; F14-F237 HydrophobicContact CG-CE2 3.66Å; F14-F237 AromaticContact CG-CZ 3.76Å; F14-F237 HydrophobicContact CG-CZ 3.76Å; F14-F237 HydrophobicContact CZ-CZ 4.03Å |
| 15 | V | 92.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | -179.8 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | I11 K12 I13 L17 L18 K19 L26 V31 | I11-V15 HydrophobicContact CG2-CG2 4.11Å; I11-V15 VanDerWaalsContact O-CG2 3.31Å; I11-V15 WeakPolarHBondContact O-CG2 3.49Å; I11-V15 PolarHBondContact O-N 3.49Å; K12-V15 PolarHBondContact O-N 2.82Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.02Å; V15-L17 VanDerWaalsContact C-N 3.26Å; V15-L17 PolarHBondContact O-N 3.32Å; V15-L18 PolarHBondContact O-N 2.75Å; V15-K19 PolarHBondContact O-N 2.68Å; V15-L26 HydrophobicContact CG1-CB 3.64Å; V15-L26 HydrophobicContact CG1-CD2 4.5Å; V15-L26 HydrophobicContact CG1-CG 4.2Å; V15-L26 WeakPolarHBondContact CG1-O 3.13Å; V15-L26 HydrophobicContact CG2-CD2 4.08Å; V15-L26 HydrophobicContact CG2-CG 4.23Å; V15-V31 HydrophobicContact CG2-CG2 4.12Å |
| 16 | N | 92.6 | Very high | 88.9 | Confident | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 173.4 | -74.9 | -8.3 | 0 | 0 | 0 | 112 | K12 I13 K19 S20 L226 | K12-N16 WeakPolarHBondContact O-CB 3.4Å; K12-N16 PolarHBondContact O-N 3.17Å; K12-N16 PolarHBondContact O-OD1 3.39Å; I13-N16 PolarHBondContact O-N 3.07Å; N16-K19 PolarHBondContact O-N 3.09Å; N16-S20 WeakPolarHBondContact O-CB 3.46Å; N16-S20 PolarHBondContact O-N 2.89Å; N16-S20 PolarHBondContact O-OG 3.14Å; N16-L226 HydrophobicContact CB-CD1 3.66Å; N16-L226 HydrophobicContact CB-CD2 4.11Å |
| 17 | L | 90.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 174.1 | -78.5 | 172.6 | 0 | 0 | 0 | 111.5 | I13 F14 V15 S20 L127 L226 L227 W230 | I13-L17 PolarHBondContact O-N 3.27Å; F14-L17 WeakPolarHBondContact O-CB 3.45Å; F14-L17 PolarHBondContact O-N 3.39Å; V15-L17 VanDerWaalsContact C-N 3.26Å; V15-L17 PolarHBondContact O-N 3.32Å; L17-S20 PolarHBondContact O-N 3.28Å; L17-S20 PolarHBondContact O-OG 3.03Å; L17-L127 HydrophobicContact CD2-CD1 3.65Å; L17-L226 HydrophobicContact CD2-CD2 3.93Å; L17-L226 HydrophobicContact CD2-CG 3.72Å; L17-L226 HydrophobicContact CG-CD1 4.46Å; L17-L226 HydrophobicContact CG-CD2 4.29Å; L17-L226 HydrophobicContact CG-CG 4.08Å; L17-L227 HydrophobicContact CD2-CD2 3.9Å; L17-W230 HydrophobicContact CD1-CB 3.5Å; L17-W230 VanDerWaalsContact CD1-CB 3.5Å; L17-W230 HydrophobicContact CD1-CD2 3.42Å; L17-W230 VanDerWaalsContact CD1-CD2 3.42Å; L17-W230 HydrophobicContact CD1-CE3 3.97Å; L17-W230 HydrophobicContact CD1-CG 3.22Å; L17-W230 HydrophobicContact CD2-CB 4.49Å; L17-W230 HydrophobicContact CG-CB 4.28Å; L17-W230 HydrophobicContact CG-CG 4.44Å |
| 18 | L | 91.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 176 | -62.1 | 178.4 | 0 | 0 | 0 | 110.6 | F14 V15 S20 V21 G22 F23 L48 I123 | F14-L18 HydrophobicContact CD1-CD1 4.29Å; F14-L18 HydrophobicContact CE1-CD1 3.62Å; F14-L18 HydrophobicContact CE1-CG 4.39Å; F14-L18 HydrophobicContact CZ-CD1 3.76Å; F14-L18 HydrophobicContact CZ-CD2 4.44Å; F14-L18 HydrophobicContact CZ-CG 4.26Å; F14-L18 PolarHBondContact O-N 3.49Å; V15-L18 PolarHBondContact O-N 2.75Å; L18-S20 PolarHBondContact O-N 2.87Å; L18-V21 PolarHBondContact O-N 2.89Å; L18-G22 PolarHBondContact O-N 3.35Å; L18-F23 HydrophobicContact CB-CB 3.86Å; L18-F23 HydrophobicContact CB-CD2 4.05Å; L18-F23 HydrophobicContact CB-CG 3.94Å; L18-F23 HydrophobicContact CD2-CD2 4.27Å; L18-F23 HydrophobicContact CD2-CE2 4.27Å; L18-F23 WeakPolarHBondContact O-CB 3.4Å; L18-F23 VanDerWaalsContact O-CD2 3.28Å; L18-F23 WeakPolarHBondContact O-CD2 3.49Å; L18-F23 PolarHBondContact O-N 3.22Å; L18-L48 HydrophobicContact CD1-CD1 3.62Å; L18-I123 HydrophobicContact CD2-CD1 3.66Å |
| 19 | K | 91.4 | Very high | 90.1 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.8 | -37.5 | 178.4 | -170.9 | 175.6 | -175.6 | 174.9 | 0 | 112.1 | V15 N16 V21 G22 E25 | V15-K19 PolarHBondContact O-N 2.68Å; N16-K19 PolarHBondContact O-N 3.09Å; K19-V21 PolarHBondContact O-N 3.16Å; K19-G22 PolarHBondContact O-N 3.27Å; K19-G22 VanDerWaalsContact O-N 3.11Å; K19-E25 IonicContact NZ-OE1 3.96Å; K19-E25 PolarHBondContact NZ-OE1 2.91Å; K19-E25 IonicContact NZ-OE2 3.93Å |
| 20 | S | 87.1 | Confident | 90.2 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -13.8 | -179.4 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | N16 L17 L18 L127 | N16-S20 WeakPolarHBondContact O-CB 3.46Å; N16-S20 PolarHBondContact O-N 2.89Å; N16-S20 PolarHBondContact O-OG 3.14Å; L17-S20 PolarHBondContact O-N 3.28Å; L17-S20 PolarHBondContact O-OG 3.03Å; L18-S20 PolarHBondContact O-N 2.87Å; S20-L127 WeakPolarHBondContact OG-CD1 3.43Å; S20-L127 WeakPolarHBondContact OG-CD2 3.44Å |
| 21 | V | 86.4 | Confident | 90.4 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 1.2 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | L18 K19 F55 I123 I126 L127 | L18-V21 PolarHBondContact O-N 2.89Å; K19-V21 PolarHBondContact O-N 3.16Å; V21-F55 HydrophobicContact CG1-CE2 3.77Å; V21-F55 HydrophobicContact CG1-CZ 4.29Å; V21-I123 HydrophobicContact CG1-CG1 4.47Å; V21-I123 HydrophobicContact CG2-CB 4.29Å; V21-I123 HydrophobicContact CG2-CG1 4.16Å; V21-I123 HydrophobicContact CG2-CG2 3.77Å; V21-I126 HydrophobicContact CG1-CD1 3.92Å; V21-I126 HydrophobicContact CG1-CG2 4.38Å; V21-I126 HydrophobicContact CG2-CG2 4.36Å; V21-L127 HydrophobicContact CG2-CD1 4.44Å; V21-L127 HydrophobicContact CG2-CD2 4.1Å; V21-L127 HydrophobicContact CG2-CG 4.09Å |
| 22 | G | 86.6 | Confident | 90.4 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 42% | 0.423 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.5 | 5.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L18 K19 V61 | L18-G22 PolarHBondContact O-N 3.35Å; K19-G22 PolarHBondContact O-N 3.27Å; K19-G22 VanDerWaalsContact O-N 3.11Å; G22-V61 WeakPolarHBondContact O-CG1 3.38Å |
| 23 | F | 91 | Very high | 90.3 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | trans | -63.4 | 154.5 | 169.6 | -72.9 | -99.8 | 0 | 0 | 0 | 111 | L18 L48 E51 I52 F55 V61 I123 | L18-F23 HydrophobicContact CB-CB 3.86Å; L18-F23 HydrophobicContact CB-CD2 4.05Å; L18-F23 HydrophobicContact CB-CG 3.94Å; L18-F23 HydrophobicContact CD2-CD2 4.27Å; L18-F23 HydrophobicContact CD2-CE2 4.27Å; L18-F23 WeakPolarHBondContact O-CB 3.4Å; L18-F23 VanDerWaalsContact O-CD2 3.28Å; L18-F23 WeakPolarHBondContact O-CD2 3.49Å; L18-F23 PolarHBondContact O-N 3.22Å; F23-L48 HydrophobicContact CD1-CD1 4.18Å; F23-E51 HydrophobicContact CD1-CB 3.67Å; F23-E51 HydrophobicContact CE1-CB 3.81Å; F23-I52 HydrophobicContact CE1-CB 4.38Å; F23-I52 HydrophobicContact CE1-CG1 3.62Å; F23-I52 HydrophobicContact CZ-CG1 4.18Å; F23-F55 HydrophobicContact CE2-CD2 4.12Å; F23-F55 HydrophobicContact CE2-CG 4.21Å; F23-F55 HydrophobicContact CZ-CB 3.8Å; F23-F55 HydrophobicContact CZ-CD1 4.41Å; F23-F55 HydrophobicContact CZ-CD2 4.22Å; F23-F55 AromaticContact CZ-CG 3.88Å; F23-F55 HydrophobicContact CZ-CG 3.88Å; F23-V61 HydrophobicContact CD1-CG2 4.18Å; F23-V61 HydrophobicContact CD2-CG2 4.13Å; F23-V61 HydrophobicContact CE1-CG2 4.08Å; F23-V61 HydrophobicContact CE2-CG2 4.05Å; F23-V61 HydrophobicContact CG-CG2 4.2Å; F23-V61 HydrophobicContact CZ-CG2 4.03Å; F23-I123 HydrophobicContact CE2-CD1 4.32Å | ||
| 24 | S | 89.4 | Confident | 90.3 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | trans | -59.2 | 156.2 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | L26 R47 E51 | S24-L26 PolarHBondContact O-N 2.92Å; S24-R47 WeakPolarHBondContact OG-CD 3.38Å; S24-R47 PolarHBondContact OG-NE 3.5Å; S24-E51 WeakPolarHBondContact CB-OE1 3.33Å; S24-E51 WeakPolarHBondContact CB-OE2 3.48Å; S24-E51 PolarHBondContact N-OE2 3.35Å; S24-E51 PolarHBondContact OG-OE1 3.19Å; S24-E51 PolarHBondContact OG-OE2 2.92Å | ||
| 25 | E | 88.3 | Confident | 90.1 | Very high | 149 Ų | 149 | 38.8 Ų | 38.8 | 70% | 0.696 | 20% | 0.201 | S | C | * | . | trans | -65.1 | 112.1 | 174.4 | -178.9 | 152.2 | -128 | 0 | 0 | 110.3 | K19 | K19-E25 IonicContact NZ-OE1 3.96Å; K19-E25 PolarHBondContact NZ-OE1 2.91Å; K19-E25 IonicContact NZ-OE2 3.93Å | ||
| 26 | L | 90.5 | Very high | 89.8 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | trans | -108.3 | 135.4 | 175.8 | 176.5 | 64.5 | 0 | 0 | 0 | 108.7 | V15 S24 V31 I45 L48 | V15-L26 HydrophobicContact CG1-CB 3.64Å; V15-L26 HydrophobicContact CG1-CD2 4.5Å; V15-L26 HydrophobicContact CG1-CG 4.2Å; V15-L26 WeakPolarHBondContact CG1-O 3.13Å; V15-L26 HydrophobicContact CG2-CD2 4.08Å; V15-L26 HydrophobicContact CG2-CG 4.23Å; S24-L26 PolarHBondContact O-N 2.92Å; L26-V31 HydrophobicContact CD1-CG2 4.22Å; L26-V31 HydrophobicContact CD2-CG2 3.5Å; L26-V31 HydrophobicContact CG-CG2 3.83Å; L26-I45 HydrophobicContact CD1-CD1 4.2Å; L26-I45 HydrophobicContact CD2-CD1 4.5Å; L26-L48 HydrophobicContact CD2-CB 4.44Å; L26-L48 HydrophobicContact CD2-CD1 4.35Å; L26-L48 HydrophobicContact CD2-CD2 3.77Å; L26-L48 HydrophobicContact CD2-CG 4.39Å | ||
| 27 | E | 91.4 | Very high | 89.6 | Confident | 127 Ų | 127 | 43.8 Ų | 43.8 | 59% | 0.593 | 22% | 0.222 | S | C | * | . | trans | -82.6 | 135 | 173.6 | -65.2 | -172 | 172.9 | 0 | 0 | 109.9 | E29 S30 V31 | E27-E29 PolarHBondContact O-N 3.12Å; E27-E29 VanDerWaalsContact O-N 3.12Å; E27-S30 WeakPolarHBondContact O-CB 3.32Å; E27-S30 PolarHBondContact O-N 2.88Å; E27-V31 PolarHBondContact O-N 2.96Å | ||
| 28 | A | 90.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.4 | -28.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | I11 K12 V31 R32 | I11-A28 HydrophobicContact CB-CB 4.21Å; I11-A28 HydrophobicContact CG2-CB 3.68Å; K12-A28 HydrophobicContact CB-CB 4.12Å; A28-V31 PolarHBondContact O-N 3.45Å; A28-R32 PolarHBondContact O-N 3.26Å |
| 29 | E | 90.6 | Very high | 89.4 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 175.8 | -170.9 | 58.4 | -159.2 | 0 | 0 | 112.1 | E27 V31 R32 L33 | E27-E29 PolarHBondContact O-N 3.12Å; E27-E29 VanDerWaalsContact O-N 3.12Å; E29-V31 VanDerWaalsContact C-N 3.3Å; E29-V31 PolarHBondContact O-N 3.05Å; E29-R32 VanDerWaalsContact CD-NE 3.32Å; E29-R32 CarbonylContact O-C 3.57Å; E29-R32 WeakPolarHBondContact O-CB 3.32Å; E29-R32 PolarHBondContact O-N 3Å; E29-R32 VanDerWaalsContact O-N 3.1Å; E29-R32 IonicContact OE1-CZ 2.72Å; E29-R32 IonicContact OE1-NE 3.03Å; E29-R32 PolarHBondContact OE1-NE 2.83Å; E29-R32 IonicContact OE1-NH2 2.73Å; E29-R32 PolarHBondContact OE1-NH2 3.18Å; E29-R32 IonicContact OE2-CZ 2.74Å; E29-R32 IonicContact OE2-NE 3.81Å; E29-R32 PolarHBondContact OE2-NE 3.38Å; E29-R32 IonicContact OE2-NH2 2.66Å; E29-L33 HydrophobicContact CG-CD1 4.12Å; E29-L33 HydrophobicContact CG-CG 4.25Å; E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 VanDerWaalsContact O-CG 3.27Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 3.45Å |
| 30 | S | 91.2 | Very high | 89.4 | Confident | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -42 | 174.5 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | E27 L33 A34 A41 | E27-S30 WeakPolarHBondContact O-CB 3.32Å; E27-S30 PolarHBondContact O-N 2.88Å; S30-L33 PolarHBondContact O-N 3.33Å; S30-A34 WeakPolarHBondContact O-CB 3.38Å; S30-A34 PolarHBondContact O-N 3.34Å; S30-A41 WeakPolarHBondContact O-CB 3.5Å |
| 31 | V | 91.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | I11 V15 L26 E27 A28 E29 A34 I45 L107 W240 | I11-V31 HydrophobicContact CD1-CG1 4.27Å; I11-V31 HydrophobicContact CG1-CG1 4.41Å; I11-V31 HydrophobicContact CG2-CB 3.62Å; I11-V31 HydrophobicContact CG2-CG1 3.71Å; I11-V31 HydrophobicContact CG2-CG2 4.18Å; V15-V31 HydrophobicContact CG2-CG2 4.12Å; L26-V31 HydrophobicContact CD1-CG2 4.22Å; L26-V31 HydrophobicContact CD2-CG2 3.5Å; L26-V31 HydrophobicContact CG-CG2 3.83Å; E27-V31 PolarHBondContact O-N 2.96Å; A28-V31 PolarHBondContact O-N 3.45Å; E29-V31 VanDerWaalsContact C-N 3.3Å; E29-V31 PolarHBondContact O-N 3.05Å; V31-A34 PolarHBondContact O-N 2.93Å; V31-I45 HydrophobicContact CG2-CD1 3.97Å; V31-L107 HydrophobicContact CG1-CD1 4.12Å; V31-W240 HydrophobicContact CG1-CH2 3.67Å; V31-W240 HydrophobicContact CG1-CZ3 3.92Å; V31-W240 WeakPolarHBondContact O-CH2 3.43Å |
| 32 | R | 91 | Very high | 89.8 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.8 | -167 | -172.3 | 77.2 | 86.2 | 2.4 | 112 | I11 A28 E29 K35 | I11-R32 HydrophobicContact CD1-CB 4.2Å; A28-R32 PolarHBondContact O-N 3.26Å; E29-R32 VanDerWaalsContact CD-NE 3.32Å; E29-R32 CarbonylContact O-C 3.57Å; E29-R32 WeakPolarHBondContact O-CB 3.32Å; E29-R32 PolarHBondContact O-N 3Å; E29-R32 VanDerWaalsContact O-N 3.1Å; E29-R32 IonicContact OE1-CZ 2.72Å; E29-R32 IonicContact OE1-NE 3.03Å; E29-R32 PolarHBondContact OE1-NE 2.83Å; E29-R32 IonicContact OE1-NH2 2.73Å; E29-R32 PolarHBondContact OE1-NH2 3.18Å; E29-R32 IonicContact OE2-CZ 2.74Å; E29-R32 IonicContact OE2-NE 3.81Å; E29-R32 PolarHBondContact OE2-NE 3.38Å; E29-R32 IonicContact OE2-NH2 2.66Å; R32-K35 WeakPolarHBondContact O-CB 3.26Å; R32-K35 PolarHBondContact O-N 2.9Å |
| 33 | L | 90.6 | Very high | 90.1 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.1 | -34.4 | 178.9 | -72.6 | 178.8 | 0 | 0 | 0 | 112.1 | E29 S30 K35 F36 D37 D38 A41 | E29-L33 HydrophobicContact CG-CD1 4.12Å; E29-L33 HydrophobicContact CG-CG 4.25Å; E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 VanDerWaalsContact O-CG 3.27Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 3.45Å; S30-L33 PolarHBondContact O-N 3.33Å; L33-K35 PolarHBondContact O-N 2.9Å; L33-F36 WeakPolarHBondContact O-CA 3.43Å; L33-F36 PolarHBondContact O-N 3.46Å; L33-D37 PolarHBondContact O-N 3.18Å; L33-D38 HydrophobicContact CB-CB 3.84Å; L33-D38 PolarHBondContact O-N 3.01Å; L33-A41 HydrophobicContact CB-CB 4.08Å |
| 34 | A | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -30.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S30 V31 F36 D37 A41 I45 R104 L107 | S30-A34 WeakPolarHBondContact O-CB 3.38Å; S30-A34 PolarHBondContact O-N 3.34Å; V31-A34 PolarHBondContact O-N 2.93Å; A34-F36 PolarHBondContact O-N 3.14Å; A34-D37 PolarHBondContact O-N 3.36Å; A34-D37 VanDerWaalsContact O-N 3.1Å; A34-A41 HydrophobicContact CB-CB 3.95Å; A34-I45 HydrophobicContact CB-CD1 4.26Å; A34-I45 HydrophobicContact CB-CG1 3.8Å; A34-R104 WeakPolarHBondContact O-CA 3.49Å; A34-R104 VanDerWaalsContact O-CB 3.3Å; A34-R104 WeakPolarHBondContact O-CB 3.47Å; A34-R104 PolarHBondContact O-N 3.26Å; A34-L107 HydrophobicContact CB-CB 4.2Å; A34-L107 HydrophobicContact CB-CD2 4.01Å |
| 35 | K | 87 | Confident | 90.4 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35.3 | 169.6 | 168.9 | 172.1 | 179.3 | 168.7 | 0 | 112.3 | R32 L33 D37 R104 W240 S243 I244 | R32-K35 WeakPolarHBondContact O-CB 3.26Å; R32-K35 PolarHBondContact O-N 2.9Å; L33-K35 PolarHBondContact O-N 2.9Å; K35-D37 VanDerWaalsContact C-N 3.34Å; K35-R104 VanDerWaalsContact O-CZ 3.28Å; K35-R104 PolarHBondContact O-NE 3.42Å; K35-R104 PolarHBondContact O-NH2 3.23Å; K35-W240 HydrophobicContact CB-CZ2 3.85Å; K35-W240 HydrophobicContact CD-CZ2 4.04Å; K35-S243 PolarHBondContact NZ-OG 3.36Å; K35-I244 HydrophobicContact CB-CD1 3.96Å; K35-I244 HydrophobicContact CB-CG1 4.14Å; K35-I244 HydrophobicContact CD-CD1 4.36Å; K35-I244 HydrophobicContact CD-CG1 3.87Å; K35-I244 HydrophobicContact CG-CD1 4.25Å; K35-I244 HydrophobicContact CG-CG1 3.86Å |
| 36 | F | 87.3 | Confident | 90.6 | Very high | 123 Ų | 123 | 53.1 Ų | 53.1 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.3 | -179 | -61.2 | -72.6 | 0 | 0 | 0 | 113.8 | L33 A34 D38 | L33-F36 WeakPolarHBondContact O-CA 3.43Å; L33-F36 PolarHBondContact O-N 3.46Å; A34-F36 PolarHBondContact O-N 3.14Å; F36-D38 VanDerWaalsContact C-N 3.29Å |
| 37 | D | 86.5 | Confident | 90.8 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 31.5 | -177.4 | -142.8 | 34.7 | 0 | 0 | 0 | 114.4 | L33 A34 K35 T102 S103 R104 | L33-D37 PolarHBondContact O-N 3.18Å; A34-D37 PolarHBondContact O-N 3.36Å; A34-D37 VanDerWaalsContact O-N 3.1Å; K35-D37 VanDerWaalsContact C-N 3.34Å; D37-T102 VanDerWaalsContact CG-CB 3.42Å; D37-T102 WeakPolarHBondContact OD1-CB 3.43Å; D37-T102 PolarHBondContact OD1-OG1 3.23Å; D37-T102 VanDerWaalsContact OD2-CB 3.24Å; D37-T102 WeakPolarHBondContact OD2-CB 3.17Å; D37-T102 PolarHBondContact OD2-OG1 2.97Å; D37-S103 VanDerWaalsContact CA-OG 3.32Å; D37-S103 WeakPolarHBondContact CA-OG 3.32Å; D37-S103 PolarHBondContact OD1-N 3.25Å; D37-R104 HydrophobicContact CB-CB 4.27Å; D37-R104 VanDerWaalsContact OD1-CB 3.31Å; D37-R104 WeakPolarHBondContact OD1-CB 3.26Å; D37-R104 PolarHBondContact OD1-N 3.02Å |
| 38 | D | 89.4 | Confident | 90.9 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | trans | -70.9 | 133.9 | 179.5 | -162.6 | -48.6 | 0 | 0 | 0 | 111.1 | L33 F36 R40 A41 S103 | L33-D38 HydrophobicContact CB-CB 3.84Å; L33-D38 PolarHBondContact O-N 3.01Å; F36-D38 VanDerWaalsContact C-N 3.29Å; D38-R40 PolarHBondContact O-N 2.91Å; D38-R40 VanDerWaalsContact OD1-CB 3.27Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 WeakPolarHBondContact OD1-CG 3.43Å; D38-R40 PolarHBondContact OD1-N 3.13Å; D38-R40 IonicContact OD1-NE 3.76Å; D38-R40 PolarHBondContact OD1-NE 2.97Å; D38-R40 VanDerWaalsContact OD1-NE 3.12Å; D38-R40 IonicContact OD2-CZ 3.22Å; D38-R40 IonicContact OD2-NE 2.69Å; D38-R40 PolarHBondContact OD2-NE 3.23Å; D38-R40 VanDerWaalsContact OD2-NE 3.14Å; D38-R40 IonicContact OD2-NH2 3.86Å; D38-R40 PolarHBondContact OD2-NH2 2.98Å; D38-A41 PolarHBondContact O-N 3.45Å; D38-S103 PolarHBondContact N-OG 3.37Å; D38-S103 WeakPolarHBondContact O-CB 3.47Å; D38-S103 PolarHBondContact O-OG 2.96Å | ||
| 39 | I | 89.1 | Confident | 91 | Very high | 144 Ų | 144 | 48.7 Ų | 48.7 | 74% | 0.738 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -65 | -30.8 | 179.8 | -62.3 | 164.1 | 0 | 0 | 0 | 110.9 | A41 L42 | I39-A41 PolarHBondContact O-N 3.38Å; I39-L42 WeakPolarHBondContact O-CB 3.43Å; I39-L42 PolarHBondContact O-N 3.47Å |
| 40 | R | 90.8 | Very high | 91.2 | Very high | 174 Ų | 174 | 46.8 Ų | 46.8 | 66% | 0.657 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -62 | -29.2 | 179.3 | -63.9 | 177 | -68.2 | 172.3 | 0.3 | 112.7 | D38 | D38-R40 PolarHBondContact O-N 2.91Å; D38-R40 VanDerWaalsContact OD1-CB 3.27Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 WeakPolarHBondContact OD1-CG 3.43Å; D38-R40 PolarHBondContact OD1-N 3.13Å; D38-R40 IonicContact OD1-NE 3.76Å; D38-R40 PolarHBondContact OD1-NE 2.97Å; D38-R40 VanDerWaalsContact OD1-NE 3.12Å; D38-R40 IonicContact OD2-CZ 3.22Å; D38-R40 IonicContact OD2-NE 2.69Å; D38-R40 PolarHBondContact OD2-NE 3.23Å; D38-R40 VanDerWaalsContact OD2-NE 3.14Å; D38-R40 IonicContact OD2-NH2 3.86Å; D38-R40 PolarHBondContact OD2-NH2 2.98Å |
| 41 | A | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -83.5 | -15.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S30 L33 A34 D38 I39 H43 S44 I45 | S30-A41 WeakPolarHBondContact O-CB 3.5Å; L33-A41 HydrophobicContact CB-CB 4.08Å; A34-A41 HydrophobicContact CB-CB 3.95Å; D38-A41 PolarHBondContact O-N 3.45Å; I39-A41 PolarHBondContact O-N 3.38Å; A41-H43 PolarHBondContact O-N 3.33Å; A41-S44 PolarHBondContact O-N 3.48Å; A41-I45 HydrophobicContact CB-CG1 4.38Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.4Å; A41-I45 PolarHBondContact O-N 3.4Å |
| 42 | L | 90.8 | Very high | 91.4 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58 | -50 | -168.2 | -177 | 66.3 | 0 | 0 | 0 | 112.1 | I39 I45 K46 F101 L106 | I39-L42 WeakPolarHBondContact O-CB 3.43Å; I39-L42 PolarHBondContact O-N 3.47Å; L42-I45 PolarHBondContact O-N 3.45Å; L42-K46 VanDerWaalsContact O-CB 3.23Å; L42-K46 WeakPolarHBondContact O-CB 3.01Å; L42-K46 PolarHBondContact O-N 3.4Å; L42-F101 VanDerWaalsContact CD1-O 3.27Å; L42-F101 WeakPolarHBondContact CD1-O 3.31Å; L42-L106 HydrophobicContact CD1-CD1 3.68Å |
| 43 | H | 92.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -47.9 | -178.1 | -177.4 | 75.9 | 0 | 0 | 0 | 112.2 | A41 I45 K46 R47 F69 | A41-H43 PolarHBondContact O-N 3.33Å; H43-I45 VanDerWaalsContact C-N 3.35Å; H43-I45 PolarHBondContact O-N 3.46Å; H43-K46 WeakPolarHBondContact O-CB 3.3Å; H43-K46 PolarHBondContact O-N 3.34Å; H43-R47 PolarHBondContact O-N 2.86Å; H43-F69 AromaticContact CE1-CE1 3.52Å; H43-F69 AromaticContact CE1-CZ 3.84Å; H43-F69 AromaticContact NE2-CE1 3.82Å |
| 44 | S | 93.2 | Very high | 91.4 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 179.9 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | A41 L48 | A41-S44 PolarHBondContact O-N 3.48Å; S44-L48 PolarHBondContact O-N 2.77Å |
| 45 | I | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.3 | -33.9 | 177.9 | -58.7 | -59.9 | 0 | 0 | 0 | 111.3 | L26 V31 A34 A41 L42 H43 R47 L48 V49 L106 L107 | L26-I45 HydrophobicContact CD1-CD1 4.2Å; L26-I45 HydrophobicContact CD2-CD1 4.5Å; V31-I45 HydrophobicContact CG2-CD1 3.97Å; A34-I45 HydrophobicContact CB-CD1 4.26Å; A34-I45 HydrophobicContact CB-CG1 3.8Å; A41-I45 HydrophobicContact CB-CG1 4.38Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.4Å; A41-I45 PolarHBondContact O-N 3.4Å; L42-I45 PolarHBondContact O-N 3.45Å; H43-I45 VanDerWaalsContact C-N 3.35Å; H43-I45 PolarHBondContact O-N 3.46Å; I45-R47 VanDerWaalsContact C-N 3.34Å; I45-L48 HydrophobicContact CD1-CD2 4.47Å; I45-L48 WeakPolarHBondContact O-CB 3.03Å; I45-L48 PolarHBondContact O-N 3.09Å; I45-V49 WeakPolarHBondContact O-CG2 3.38Å; I45-V49 PolarHBondContact O-N 3.01Å; I45-L106 HydrophobicContact CB-CB 4.45Å; I45-L106 HydrophobicContact CG2-CB 3.55Å; I45-L107 HydrophobicContact CD1-CD1 4.48Å; I45-L107 HydrophobicContact CG2-CB 4.16Å |
| 46 | K | 93.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 173 | -168.7 | 174.3 | -178.8 | 176 | 0 | 111.3 | L42 H43 V49 F50 D74 I77 I81 L106 | L42-K46 VanDerWaalsContact O-CB 3.23Å; L42-K46 WeakPolarHBondContact O-CB 3.01Å; L42-K46 PolarHBondContact O-N 3.4Å; H43-K46 WeakPolarHBondContact O-CB 3.3Å; H43-K46 PolarHBondContact O-N 3.34Å; K46-V49 PolarHBondContact O-N 3.39Å; K46-F50 PolarHBondContact O-N 3.03Å; K46-D74 PolarHBondContact NZ-O 3.14Å; K46-D74 IonicContact NZ-OD1 3.75Å; K46-D74 PolarHBondContact NZ-OD1 3.45Å; K46-D74 IonicContact NZ-OD2 2.94Å; K46-D74 PolarHBondContact NZ-OD2 3.41Å; K46-I77 HydrophobicContact CD-CG2 4.37Å; K46-I77 HydrophobicContact CG-CG2 4.23Å; K46-I81 HydrophobicContact CG-CD1 3.58Å; K46-L106 HydrophobicContact CB-CD1 3.79Å; K46-L106 HydrophobicContact CG-CD1 4.23Å |
| 47 | R | 94 | Very high | 91.2 | Very high | 56 Ų | 56 | 41 Ų | 41 | 21% | 0.211 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 172.8 | -174.2 | 173.1 | 178.9 | 155.8 | 1.8 | 111.8 | S24 H43 I45 V49 F50 E51 F69 | S24-R47 WeakPolarHBondContact OG-CD 3.38Å; S24-R47 PolarHBondContact OG-NE 3.5Å; H43-R47 PolarHBondContact O-N 2.86Å; I45-R47 VanDerWaalsContact C-N 3.34Å; R47-V49 VanDerWaalsContact C-N 3.35Å; R47-V49 PolarHBondContact O-N 3.34Å; R47-F50 WeakPolarHBondContact O-CB 3.33Å; R47-F50 PolarHBondContact O-N 2.66Å; R47-E51 HydrophobicContact CG-CG 4.45Å; R47-E51 WeakPolarHBondContact CG-OE1 3.33Å; R47-E51 IonicContact CZ-OE1 3.14Å; R47-E51 IonicContact NE-OE1 2.99Å; R47-E51 PolarHBondContact NE-OE1 3.07Å; R47-E51 IonicContact NH2-OE1 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.34Å; R47-E51 PolarHBondContact O-N 2.79Å; R47-F69 VanDerWaalsContact CA-CE2 3.48Å; R47-F69 HydrophobicContact CB-CD1 4.43Å; R47-F69 HydrophobicContact CB-CD2 4.46Å; R47-F69 HydrophobicContact CB-CE1 3.87Å; R47-F69 HydrophobicContact CB-CE2 3.91Å; R47-F69 HydrophobicContact CB-CZ 3.59Å; R47-F69 HydrophobicContact CG-CD1 4.09Å; R47-F69 HydrophobicContact CG-CD2 4.4Å; R47-F69 HydrophobicContact CG-CE1 4.01Å; R47-F69 HydrophobicContact CG-CE2 4.33Å; R47-F69 HydrophobicContact CG-CG 4.29Å; R47-F69 HydrophobicContact CG-CZ 4.14Å |
| 48 | L | 94.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.4 | -47.8 | 176.1 | 174.7 | 67.2 | 0 | 0 | 0 | 112.2 | L18 F23 L26 S44 I45 F50 E51 I52 | L18-L48 HydrophobicContact CD1-CD1 3.62Å; F23-L48 HydrophobicContact CD1-CD1 4.18Å; L26-L48 HydrophobicContact CD2-CB 4.44Å; L26-L48 HydrophobicContact CD2-CD1 4.35Å; L26-L48 HydrophobicContact CD2-CD2 3.77Å; L26-L48 HydrophobicContact CD2-CG 4.39Å; S44-L48 PolarHBondContact O-N 2.77Å; I45-L48 HydrophobicContact CD1-CD2 4.47Å; I45-L48 WeakPolarHBondContact O-CB 3.03Å; I45-L48 PolarHBondContact O-N 3.09Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 3.43Å; L48-E51 PolarHBondContact O-N 3.34Å; L48-I52 HydrophobicContact CD1-CD1 3.81Å; L48-I52 HydrophobicContact CD1-CG1 4.1Å; L48-I52 HydrophobicContact CD2-CD1 4.35Å; L48-I52 HydrophobicContact CG-CD1 3.73Å; L48-I52 HydrophobicContact CG-CG1 4.41Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 2.89Å |
| 49 | V | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 111 | I45 K46 R47 I52 I53 I81 L106 | I45-V49 WeakPolarHBondContact O-CG2 3.38Å; I45-V49 PolarHBondContact O-N 3.01Å; K46-V49 PolarHBondContact O-N 3.39Å; R47-V49 VanDerWaalsContact C-N 3.35Å; R47-V49 PolarHBondContact O-N 3.34Å; V49-I52 PolarHBondContact O-N 3.11Å; V49-I53 HydrophobicContact CG1-CD1 3.75Å; V49-I53 HydrophobicContact CG1-CG1 4.43Å; V49-I53 WeakPolarHBondContact O-CD1 3.47Å; V49-I53 VanDerWaalsContact O-CG1 3.22Å; V49-I53 WeakPolarHBondContact O-CG1 3.31Å; V49-I53 PolarHBondContact O-N 3.13Å; V49-I81 HydrophobicContact CB-CD1 4.36Å; V49-I81 HydrophobicContact CG1-CB 4.5Å; V49-I81 HydrophobicContact CG1-CD1 4.23Å; V49-I81 HydrophobicContact CG1-CG1 4.11Å; V49-I81 HydrophobicContact CG1-CG2 3.66Å; V49-L106 HydrophobicContact CG2-CB 4.06Å; V49-L106 HydrophobicContact CG2-CD2 4.43Å; V49-L106 VanDerWaalsContact CG2-O 3.24Å; V49-L106 WeakPolarHBondContact CG2-O 3.21Å |
| 50 | F | 93.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.3 | 179.5 | -93.3 | 0 | 0 | 0 | 111.7 | K46 R47 L48 I52 I53 Y54 C65 F69 I77 F80 | K46-F50 PolarHBondContact O-N 3.03Å; R47-F50 WeakPolarHBondContact O-CB 3.33Å; R47-F50 PolarHBondContact O-N 2.66Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 3.43Å; F50-I52 PolarHBondContact O-N 3.33Å; F50-I53 PolarHBondContact O-N 3.47Å; F50-Y54 WeakPolarHBondContact O-CB 3.24Å; F50-Y54 PolarHBondContact O-N 3.46Å; F50-C65 WeakPolarHBondContact CE1-O 3.47Å; F50-F69 HydrophobicContact CB-CD2 3.95Å; F50-F69 HydrophobicContact CB-CE2 4.3Å; F50-F69 HydrophobicContact CD1-CB 4.02Å; F50-F69 AromaticContact CD1-CD2 3.91Å; F50-F69 HydrophobicContact CD1-CD2 3.91Å; F50-F69 HydrophobicContact CD1-CG 4.41Å; F50-F69 HydrophobicContact CD2-CD2 4.48Å; F50-F69 HydrophobicContact CE1-CB 3.99Å; F50-F69 AromaticContact CG-CD2 3.86Å; F50-F69 HydrophobicContact CG-CD2 3.86Å; F50-I77 HydrophobicContact CD2-CG2 4.3Å; F50-F80 AromaticContact CD2-CD1 3.71Å; F50-F80 HydrophobicContact CD2-CD1 3.71Å; F50-F80 AromaticContact CD2-CE1 3.75Å; F50-F80 HydrophobicContact CD2-CE1 3.75Å; F50-F80 AromaticContact CE2-CD1 3.86Å; F50-F80 HydrophobicContact CE2-CD1 3.86Å; F50-F80 AromaticContact CE2-CE1 3.81Å; F50-F80 HydrophobicContact CE2-CE1 3.81Å |
| 51 | E | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 178.8 | -71.7 | 173.9 | -176.8 | 0 | 0 | 112 | F23 S24 R47 L48 Y54 F55 V61 | F23-E51 HydrophobicContact CD1-CB 3.67Å; F23-E51 HydrophobicContact CE1-CB 3.81Å; S24-E51 WeakPolarHBondContact CB-OE1 3.33Å; S24-E51 WeakPolarHBondContact CB-OE2 3.48Å; S24-E51 PolarHBondContact N-OE2 3.35Å; S24-E51 PolarHBondContact OG-OE1 3.19Å; S24-E51 PolarHBondContact OG-OE2 2.92Å; R47-E51 HydrophobicContact CG-CG 4.45Å; R47-E51 WeakPolarHBondContact CG-OE1 3.33Å; R47-E51 IonicContact CZ-OE1 3.14Å; R47-E51 IonicContact NE-OE1 2.99Å; R47-E51 PolarHBondContact NE-OE1 3.07Å; R47-E51 IonicContact NH2-OE1 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.34Å; R47-E51 PolarHBondContact O-N 2.79Å; L48-E51 PolarHBondContact O-N 3.34Å; E51-Y54 PolarHBondContact O-N 2.97Å; E51-F55 VanDerWaalsContact O-CB 3.28Å; E51-F55 WeakPolarHBondContact O-CB 3.28Å; E51-F55 PolarHBondContact O-N 3.33Å; E51-V61 HydrophobicContact CB-CG2 4.42Å; E51-V61 HydrophobicContact CG-CG1 4.21Å |
| 52 | I | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.4 | -67.5 | 165.1 | 0 | 0 | 0 | 110.7 | F23 L48 V49 F50 Y54 F55 I56 I113 L114 | F23-I52 HydrophobicContact CE1-CB 4.38Å; F23-I52 HydrophobicContact CE1-CG1 3.62Å; F23-I52 HydrophobicContact CZ-CG1 4.18Å; L48-I52 HydrophobicContact CD1-CD1 3.81Å; L48-I52 HydrophobicContact CD1-CG1 4.1Å; L48-I52 HydrophobicContact CD2-CD1 4.35Å; L48-I52 HydrophobicContact CG-CD1 3.73Å; L48-I52 HydrophobicContact CG-CG1 4.41Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 2.89Å; V49-I52 PolarHBondContact O-N 3.11Å; F50-I52 PolarHBondContact O-N 3.33Å; I52-Y54 VanDerWaalsContact C-N 3.29Å; I52-Y54 PolarHBondContact O-N 2.88Å; I52-F55 PolarHBondContact O-N 2.76Å; I52-I56 HydrophobicContact CG2-CD1 4.14Å; I52-I56 WeakPolarHBondContact O-CG1 2.93Å; I52-I56 PolarHBondContact O-N 3.43Å; I52-I113 HydrophobicContact CG2-CB 4.19Å; I52-I113 HydrophobicContact CG2-CG2 3.43Å; I52-I113 VanDerWaalsContact CG2-CG2 3.43Å; I52-L114 HydrophobicContact CD1-CD1 4.11Å; I52-L114 HydrophobicContact CD1-CD2 4.02Å; I52-L114 HydrophobicContact CD1-CG 3.99Å; I52-L114 HydrophobicContact CG1-CD2 4.22Å; I52-L114 HydrophobicContact CG2-CD2 4.15Å; I52-L114 HydrophobicContact CG2-CG 4.48Å |
| 53 | I | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 177.1 | -65.7 | 162.6 | 0 | 0 | 0 | 110.1 | V49 F50 K57 F80 I81 Y88 I113 | V49-I53 HydrophobicContact CG1-CD1 3.75Å; V49-I53 HydrophobicContact CG1-CG1 4.43Å; V49-I53 WeakPolarHBondContact O-CD1 3.47Å; V49-I53 VanDerWaalsContact O-CG1 3.22Å; V49-I53 WeakPolarHBondContact O-CG1 3.31Å; V49-I53 PolarHBondContact O-N 3.13Å; F50-I53 PolarHBondContact O-N 3.47Å; I53-K57 HydrophobicContact CG2-CD 4.46Å; I53-K57 WeakPolarHBondContact O-CG 3.49Å; I53-K57 PolarHBondContact O-N 2.78Å; I53-F80 HydrophobicContact CB-CE1 4.17Å; I53-F80 HydrophobicContact CD1-CE1 4.32Å; I53-F80 HydrophobicContact CG2-CE1 3.64Å; I53-F80 HydrophobicContact CG2-CZ 3.67Å; I53-I81 HydrophobicContact CD1-CG1 4.2Å; I53-Y88 HydrophobicContact CG1-CE2 4.19Å; I53-Y88 HydrophobicContact CG2-CE2 4.2Å; I53-I113 HydrophobicContact CD1-CD1 4.41Å; I53-I113 HydrophobicContact CG1-CD1 3.89Å |
| 54 | Y | 90.3 | Very high | 89.6 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -49 | 175.3 | -170.4 | -88.5 | 0 | 0 | 0 | 111 | F50 E51 I52 I56 K57 Y58 C60 D62 C65 | F50-Y54 WeakPolarHBondContact O-CB 3.24Å; F50-Y54 PolarHBondContact O-N 3.46Å; E51-Y54 PolarHBondContact O-N 2.97Å; I52-Y54 VanDerWaalsContact C-N 3.29Å; I52-Y54 PolarHBondContact O-N 2.88Å; Y54-I56 VanDerWaalsContact C-N 3.28Å; Y54-I56 PolarHBondContact O-N 3.38Å; Y54-K57 PolarHBondContact O-N 2.99Å; Y54-Y58 AromaticContact CD1-CD2 3.77Å; Y54-Y58 HydrophobicContact CD1-CD2 3.77Å; Y54-Y58 HydrophobicContact CD1-CG 4.47Å; Y54-Y58 AromaticContact CD2-CD2 3.46Å; Y54-Y58 HydrophobicContact CD2-CD2 3.46Å; Y54-Y58 VanDerWaalsContact CD2-CD2 3.46Å; Y54-Y58 AromaticContact CD2-CE2 3.48Å; Y54-Y58 HydrophobicContact CD2-CE2 3.48Å; Y54-Y58 VanDerWaalsContact CD2-CE2 3.48Å; Y54-Y58 AromaticContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CE2 4.48Å; Y54-Y58 HydrophobicContact CE1-CG 4.07Å; Y54-Y58 AromaticContact CE2-CD2 3.32Å; Y54-Y58 HydrophobicContact CE2-CD2 3.32Å; Y54-Y58 AromaticContact CE2-CE2 3.29Å; Y54-Y58 HydrophobicContact CE2-CE2 3.29Å; Y54-Y58 HydrophobicContact CE2-CG 4.25Å; Y54-Y58 AromaticContact CG-CD2 3.67Å; Y54-Y58 HydrophobicContact CG-CD2 3.67Å; Y54-Y58 HydrophobicContact CG-CE2 4.15Å; Y54-Y58 AromaticContact CZ-CD2 3.43Å; Y54-Y58 VanDerWaalsContact CZ-CD2 3.43Å; Y54-Y58 AromaticContact CZ-CE2 3.85Å; Y54-Y58 AromaticContact CZ-CG 3.95Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.43Å; Y54-Y58 PolarHBondContact O-N 3.4Å; Y54-C60 WeakPolarHBondContact CD1-O 3.49Å; Y54-C60 WeakPolarHBondContact CE1-O 3.38Å; Y54-D62 VanDerWaalsContact CE1-OD1 3.28Å; Y54-D62 WeakPolarHBondContact CE1-OD1 3.4Å; Y54-D62 VanDerWaalsContact CZ-OD1 3.28Å; Y54-D62 PolarHBondContact OH-OD1 3.21Å; Y54-D62 PolarHBondContact OH-OD2 3.47Å; Y54-C65 VanDerWaalsContact CB-SG 3.6Å; Y54-C65 HydrophobicContact CD1-CB 3.66Å; Y54-C65 HydrophobicContact CD2-CB 4.15Å; Y54-C65 HydrophobicContact CE1-CB 3.71Å; Y54-C65 HydrophobicContact CE2-CB 4.19Å; Y54-C65 HydrophobicContact CG-CB 3.9Å |
| 55 | F | 90.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -38.6 | 178.4 | -178.1 | -95.5 | 0 | 0 | 0 | 112.6 | V21 F23 E51 I52 K57 G59 V61 V119 K122 I123 I126 | V21-F55 HydrophobicContact CG1-CE2 3.77Å; V21-F55 HydrophobicContact CG1-CZ 4.29Å; F23-F55 HydrophobicContact CE2-CD2 4.12Å; F23-F55 HydrophobicContact CE2-CG 4.21Å; F23-F55 HydrophobicContact CZ-CB 3.8Å; F23-F55 HydrophobicContact CZ-CD1 4.41Å; F23-F55 HydrophobicContact CZ-CD2 4.22Å; F23-F55 AromaticContact CZ-CG 3.88Å; F23-F55 HydrophobicContact CZ-CG 3.88Å; E51-F55 VanDerWaalsContact O-CB 3.28Å; E51-F55 WeakPolarHBondContact O-CB 3.28Å; E51-F55 PolarHBondContact O-N 3.33Å; I52-F55 PolarHBondContact O-N 2.76Å; F55-K57 VanDerWaalsContact C-N 3.32Å; F55-K57 PolarHBondContact O-N 2.88Å; F55-G59 VanDerWaalsContact CE2-O 3.29Å; F55-G59 WeakPolarHBondContact CE2-O 3.32Å; F55-G59 WeakPolarHBondContact O-CA 3.49Å; F55-G59 PolarHBondContact O-N 3.21Å; F55-V61 HydrophobicContact CB-CG2 4.18Å; F55-V61 HydrophobicContact CD2-CG2 4.22Å; F55-V119 HydrophobicContact CD1-CG1 3.73Å; F55-V119 HydrophobicContact CE1-CG1 3.74Å; F55-K122 HydrophobicContact CE1-CB 4.4Å; F55-I123 HydrophobicContact CZ-CG1 4.35Å; F55-I126 HydrophobicContact CE2-CD1 4.07Å; F55-I126 HydrophobicContact CZ-CD1 3.75Å |
| 56 | I | 86.3 | Confident | 89 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -35.5 | 176.1 | -74.6 | 166.3 | 0 | 0 | 0 | 112.3 | I52 Y54 I113 F117 V119 | I52-I56 HydrophobicContact CG2-CD1 4.14Å; I52-I56 WeakPolarHBondContact O-CG1 2.93Å; I52-I56 PolarHBondContact O-N 3.43Å; Y54-I56 VanDerWaalsContact C-N 3.28Å; Y54-I56 PolarHBondContact O-N 3.38Å; I56-I113 HydrophobicContact CD1-CB 4.48Å; I56-I113 HydrophobicContact CD1-CG2 2.99Å; I56-I113 HydrophobicContact CG1-CG2 4.43Å; I56-F117 HydrophobicContact CD1-CB 3.66Å; I56-F117 HydrophobicContact CD1-CD2 3.79Å; I56-F117 HydrophobicContact CD1-CG 3.75Å; I56-F117 HydrophobicContact CG1-CB 4.05Å; I56-F117 HydrophobicContact CG1-CG 4.42Å; I56-F117 HydrophobicContact CG2-CD1 4.07Å; I56-F117 HydrophobicContact CG2-CG 4.25Å; I56-V119 HydrophobicContact CD1-CG2 3.75Å; I56-V119 HydrophobicContact CG1-CG2 3.69Å |
| 57 | K | 84.2 | Confident | 88.7 | Confident | 95 Ų | 95 | 45.3 Ų | 45.3 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -78.9 | -38.5 | -178.3 | -71.3 | 177.6 | -176.9 | 174.6 | 0 | 112.4 | I53 Y54 F55 | I53-K57 HydrophobicContact CG2-CD 4.46Å; I53-K57 WeakPolarHBondContact O-CG 3.49Å; I53-K57 PolarHBondContact O-N 2.78Å; Y54-K57 PolarHBondContact O-N 2.99Å; F55-K57 VanDerWaalsContact C-N 3.32Å; F55-K57 PolarHBondContact O-N 2.88Å |
| 58 | Y | 84.4 | Confident | 88.3 | Confident | 150 Ų | 150 | 43.1 Ų | 43.1 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -114.4 | -14.6 | -169.9 | -59.8 | -74.3 | 0 | 0 | 0 | 114.5 | Y54 C60 | Y54-Y58 AromaticContact CD1-CD2 3.77Å; Y54-Y58 HydrophobicContact CD1-CD2 3.77Å; Y54-Y58 HydrophobicContact CD1-CG 4.47Å; Y54-Y58 AromaticContact CD2-CD2 3.46Å; Y54-Y58 HydrophobicContact CD2-CD2 3.46Å; Y54-Y58 VanDerWaalsContact CD2-CD2 3.46Å; Y54-Y58 AromaticContact CD2-CE2 3.48Å; Y54-Y58 HydrophobicContact CD2-CE2 3.48Å; Y54-Y58 VanDerWaalsContact CD2-CE2 3.48Å; Y54-Y58 AromaticContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CE2 4.48Å; Y54-Y58 HydrophobicContact CE1-CG 4.07Å; Y54-Y58 AromaticContact CE2-CD2 3.32Å; Y54-Y58 HydrophobicContact CE2-CD2 3.32Å; Y54-Y58 AromaticContact CE2-CE2 3.29Å; Y54-Y58 HydrophobicContact CE2-CE2 3.29Å; Y54-Y58 HydrophobicContact CE2-CG 4.25Å; Y54-Y58 AromaticContact CG-CD2 3.67Å; Y54-Y58 HydrophobicContact CG-CD2 3.67Å; Y54-Y58 HydrophobicContact CG-CE2 4.15Å; Y54-Y58 AromaticContact CZ-CD2 3.43Å; Y54-Y58 VanDerWaalsContact CZ-CD2 3.43Å; Y54-Y58 AromaticContact CZ-CE2 3.85Å; Y54-Y58 AromaticContact CZ-CG 3.95Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.43Å; Y54-Y58 PolarHBondContact O-N 3.4Å; Y58-C60 VanDerWaalsContact C-N 3.26Å; Y58-C60 PolarHBondContact O-N 3.4Å |
| 59 | G | 81.3 | Confident | 88.1 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 45% | 0.454 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 79.2 | 0.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F55 | F55-G59 VanDerWaalsContact CE2-O 3.29Å; F55-G59 WeakPolarHBondContact CE2-O 3.32Å; F55-G59 WeakPolarHBondContact O-CA 3.49Å; F55-G59 PolarHBondContact O-N 3.21Å |
| 60 | C | 84.6 | Confident | 87.9 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -147.9 | 165.2 | 178 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | Y54 Y58 | Y54-C60 WeakPolarHBondContact CD1-O 3.49Å; Y54-C60 WeakPolarHBondContact CE1-O 3.38Å; Y58-C60 VanDerWaalsContact C-N 3.26Å; Y58-C60 PolarHBondContact O-N 3.4Å |
| 61 | V | 85.6 | Confident | 87.7 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | trans | -115.2 | 109.6 | 166.9 | -178 | 0 | 0 | 0 | 0 | 106.4 | G22 F23 E51 F55 C65 | G22-V61 WeakPolarHBondContact O-CG1 3.38Å; F23-V61 HydrophobicContact CD1-CG2 4.18Å; F23-V61 HydrophobicContact CD2-CG2 4.13Å; F23-V61 HydrophobicContact CE1-CG2 4.08Å; F23-V61 HydrophobicContact CE2-CG2 4.05Å; F23-V61 HydrophobicContact CG-CG2 4.2Å; F23-V61 HydrophobicContact CZ-CG2 4.03Å; E51-V61 HydrophobicContact CB-CG2 4.42Å; E51-V61 HydrophobicContact CG-CG1 4.21Å; F55-V61 HydrophobicContact CB-CG2 4.18Å; F55-V61 HydrophobicContact CD2-CG2 4.22Å; V61-C65 HydrophobicContact CG1-CB 4.09Å | ||
| 62 | D | 86.7 | Confident | 87.5 | Confident | 55 Ų | 55 | 62 Ų | 62 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | trans | -113.2 | -178.4 | -175.7 | 61 | 0.5 | 0 | 0 | 0 | 111.5 | Y54 L64 C65 S66 | Y54-D62 VanDerWaalsContact CE1-OD1 3.28Å; Y54-D62 WeakPolarHBondContact CE1-OD1 3.4Å; Y54-D62 VanDerWaalsContact CZ-OD1 3.28Å; Y54-D62 PolarHBondContact OH-OD1 3.21Å; Y54-D62 PolarHBondContact OH-OD2 3.47Å; D62-L64 PolarHBondContact O-N 3.04Å; D62-L64 PolarHBondContact OD1-N 3.43Å; D62-C65 WeakPolarHBondContact O-CB 3.35Å; D62-C65 PolarHBondContact O-N 2.95Å; D62-C65 VanDerWaalsContact O-N 3.16Å; D62-C65 PolarHBondContact OD1-N 2.94Å; D62-S66 PolarHBondContact O-N 2.97Å | ||
| 63 | E | 86.5 | Confident | 87.4 | Confident | 158 Ų | 158 | 64.6 Ų | 64.6 | 74% | 0.738 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60 | -33.3 | 176.9 | -65.2 | 177.4 | 178.4 | 0 | 0 | 111.7 | C65 S66 E67 | E63-C65 VanDerWaalsContact C-N 3.32Å; E63-C65 PolarHBondContact O-N 2.78Å; E63-S66 PolarHBondContact O-N 3.38Å; E63-E67 WeakPolarHBondContact O-CB 3.4Å; E63-E67 WeakPolarHBondContact O-CG 3.43Å; E63-E67 PolarHBondContact O-N 3.43Å |
| 64 | L | 86.3 | Confident | 87.2 | Confident | 112 Ų | 112 | 68.8 Ų | 68.8 | 59% | 0.586 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.9 | -36.6 | 176.6 | -63.7 | 175.5 | 0 | 0 | 0 | 112.3 | D62 G68 | D62-L64 PolarHBondContact O-N 3.04Å; D62-L64 PolarHBondContact OD1-N 3.43Å; L64-G68 PolarHBondContact O-N 3.09Å |
| 65 | C | 87.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.007 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 172.8 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | F50 Y54 V61 D62 E63 G68 F69 | F50-C65 WeakPolarHBondContact CE1-O 3.47Å; Y54-C65 VanDerWaalsContact CB-SG 3.6Å; Y54-C65 HydrophobicContact CD1-CB 3.66Å; Y54-C65 HydrophobicContact CD2-CB 4.15Å; Y54-C65 HydrophobicContact CE1-CB 3.71Å; Y54-C65 HydrophobicContact CE2-CB 4.19Å; Y54-C65 HydrophobicContact CG-CB 3.9Å; V61-C65 HydrophobicContact CG1-CB 4.09Å; D62-C65 WeakPolarHBondContact O-CB 3.35Å; D62-C65 PolarHBondContact O-N 2.95Å; D62-C65 VanDerWaalsContact O-N 3.16Å; D62-C65 PolarHBondContact OD1-N 2.94Å; E63-C65 VanDerWaalsContact C-N 3.32Å; E63-C65 PolarHBondContact O-N 2.78Å; C65-G68 PolarHBondContact O-N 3.06Å; C65-F69 PolarHBondContact O-N 3Å |
| 66 | S | 87.6 | Confident | 87 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 179.9 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | D62 E63 G68 F69 E70 | D62-S66 PolarHBondContact O-N 2.97Å; E63-S66 PolarHBondContact O-N 3.38Å; S66-G68 VanDerWaalsContact C-N 3.29Å; S66-G68 PolarHBondContact O-N 3.41Å; S66-F69 PolarHBondContact O-N 2.96Å; S66-E70 PolarHBondContact O-N 3.21Å |
| 67 | E | 87.3 | Confident | 87.2 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 175.3 | -73 | -170.2 | -176.6 | 0 | 0 | 112.1 | E63 E70 K71 | E63-E67 WeakPolarHBondContact O-CB 3.4Å; E63-E67 WeakPolarHBondContact O-CG 3.43Å; E63-E67 PolarHBondContact O-N 3.43Å; E67-E70 PolarHBondContact O-N 3.26Å; E67-K71 HydrophobicContact CB-CD 4.38Å; E67-K71 VanDerWaalsContact O-CB 3.24Å; E67-K71 WeakPolarHBondContact O-CB 3.4Å; E67-K71 VanDerWaalsContact O-CG 3.24Å; E67-K71 WeakPolarHBondContact O-CG 3.46Å; E67-K71 PolarHBondContact O-N 3.22Å; E67-K71 IonicContact OE2-NZ 2.94Å; E67-K71 PolarHBondContact OE2-NZ 2.93Å |
| 68 | G | 85.6 | Confident | 87.4 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.5 | -50.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L64 C65 S66 E70 K71 F72 | L64-G68 PolarHBondContact O-N 3.09Å; C65-G68 PolarHBondContact O-N 3.06Å; S66-G68 VanDerWaalsContact C-N 3.29Å; S66-G68 PolarHBondContact O-N 3.41Å; G68-E70 VanDerWaalsContact C-N 3.26Å; G68-E70 PolarHBondContact O-N 3.03Å; G68-K71 PolarHBondContact O-N 3.22Å; G68-F72 WeakPolarHBondContact O-CB 3.43Å; G68-F72 WeakPolarHBondContact O-CD2 3.49Å; G68-F72 WeakPolarHBondContact O-CG 3.27Å; G68-F72 PolarHBondContact O-N 3.15Å |
| 69 | F | 89.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.044 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -32.9 | 179.4 | -172.3 | -95.2 | 0 | 0 | 0 | 113.2 | H43 R47 F50 C65 S66 I77 | H43-F69 AromaticContact CE1-CE1 3.52Å; H43-F69 AromaticContact CE1-CZ 3.84Å; H43-F69 AromaticContact NE2-CE1 3.82Å; R47-F69 VanDerWaalsContact CA-CE2 3.48Å; R47-F69 HydrophobicContact CB-CD1 4.43Å; R47-F69 HydrophobicContact CB-CD2 4.46Å; R47-F69 HydrophobicContact CB-CE1 3.87Å; R47-F69 HydrophobicContact CB-CE2 3.91Å; R47-F69 HydrophobicContact CB-CZ 3.59Å; R47-F69 HydrophobicContact CG-CD1 4.09Å; R47-F69 HydrophobicContact CG-CD2 4.4Å; R47-F69 HydrophobicContact CG-CE1 4.01Å; R47-F69 HydrophobicContact CG-CE2 4.33Å; R47-F69 HydrophobicContact CG-CG 4.29Å; R47-F69 HydrophobicContact CG-CZ 4.14Å; F50-F69 HydrophobicContact CB-CD2 3.95Å; F50-F69 HydrophobicContact CB-CE2 4.3Å; F50-F69 HydrophobicContact CD1-CB 4.02Å; F50-F69 AromaticContact CD1-CD2 3.91Å; F50-F69 HydrophobicContact CD1-CD2 3.91Å; F50-F69 HydrophobicContact CD1-CG 4.41Å; F50-F69 HydrophobicContact CD2-CD2 4.48Å; F50-F69 HydrophobicContact CE1-CB 3.99Å; F50-F69 AromaticContact CG-CD2 3.86Å; F50-F69 HydrophobicContact CG-CD2 3.86Å; C65-F69 PolarHBondContact O-N 3Å; S66-F69 PolarHBondContact O-N 2.96Å; F69-I77 HydrophobicContact CD2-CD1 3.86Å; F69-I77 HydrophobicContact CD2-CG2 4.17Å; F69-I77 HydrophobicContact CE2-CD1 3.96Å; F69-I77 HydrophobicContact CE2-CG2 3.87Å; F69-I77 HydrophobicContact CG-CD1 4.31Å; F69-I77 HydrophobicContact CZ-CD1 4.49Å; F69-I77 VanDerWaalsContact O-CD1 3.28Å; F69-I77 WeakPolarHBondContact O-CD1 3.5Å |
| 70 | E | 90 | Very high | 88 | Confident | 142 Ų | 142 | 71 Ų | 71 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -82.5 | -31.8 | 179 | -68.9 | -179 | 179.9 | 0 | 0 | 113.6 | S66 E67 G68 | S66-E70 PolarHBondContact O-N 3.21Å; E67-E70 PolarHBondContact O-N 3.26Å; G68-E70 VanDerWaalsContact C-N 3.26Å; G68-E70 PolarHBondContact O-N 3.03Å |
| 71 | K | 89.2 | Confident | 88.4 | Confident | 150 Ų | 150 | 68.3 Ų | 68.3 | 65% | 0.652 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -81.3 | -33.3 | -178.6 | -74 | 172.3 | 179.1 | 167.6 | 0 | 113.1 | E67 G68 | E67-K71 HydrophobicContact CB-CD 4.38Å; E67-K71 VanDerWaalsContact O-CB 3.24Å; E67-K71 WeakPolarHBondContact O-CB 3.4Å; E67-K71 VanDerWaalsContact O-CG 3.24Å; E67-K71 WeakPolarHBondContact O-CG 3.46Å; E67-K71 PolarHBondContact O-N 3.22Å; E67-K71 IonicContact OE2-NZ 2.94Å; E67-K71 PolarHBondContact OE2-NZ 2.93Å; G68-K71 PolarHBondContact O-N 3.22Å |
| 72 | F | 90.1 | Very high | 88.5 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -77.3 | 144.9 | 179.9 | -68.7 | -58 | 0 | 0 | 0 | 111.6 | G68 E76 I77 | G68-F72 WeakPolarHBondContact O-CB 3.43Å; G68-F72 WeakPolarHBondContact O-CD2 3.49Å; G68-F72 WeakPolarHBondContact O-CG 3.27Å; G68-F72 PolarHBondContact O-N 3.15Å; F72-E76 HydrophobicContact CB-CB 4.31Å; F72-I77 HydrophobicContact CB-CD1 4.27Å; F72-I77 HydrophobicContact CB-CG1 3.82Å |
| 73 | S | 89.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -66.9 | 152.9 | 173.9 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | N75 E76 I77 | S73-N75 PolarHBondContact O-N 2.9Å; S73-N75 VanDerWaalsContact O-N 3.1Å; S73-E76 WeakPolarHBondContact CB-OE2 3.22Å; S73-E76 PolarHBondContact N-OE2 3.25Å; S73-E76 PolarHBondContact O-N 2.7Å; S73-E76 WeakPolarHBondContact OG-CG 3.28Å; S73-E76 PolarHBondContact OG-N 3.31Å; S73-E76 PolarHBondContact OG-OE2 2.9Å; S73-I77 WeakPolarHBondContact O-CG1 3.45Å; S73-I77 PolarHBondContact O-N 2.93Å | ||
| 74 | D | 87.9 | Confident | 88.8 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -31.4 | -178.9 | -165.2 | 59.5 | 0 | 0 | 0 | 112.7 | K46 H78 | K46-D74 PolarHBondContact NZ-O 3.14Å; K46-D74 IonicContact NZ-OD1 3.75Å; K46-D74 PolarHBondContact NZ-OD1 3.45Å; K46-D74 IonicContact NZ-OD2 2.94Å; K46-D74 PolarHBondContact NZ-OD2 3.41Å; D74-H78 WeakPolarHBondContact O-CB 3.37Å; D74-H78 PolarHBondContact O-N 2.86Å |
| 75 | N | 87.6 | Confident | 88.9 | Confident | 110 Ų | 110 | 58 Ų | 58 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.2 | -42.3 | 175 | -73.1 | -14.3 | 0 | 0 | 0 | 112.7 | S73 I77 H78 Q79 | S73-N75 PolarHBondContact O-N 2.9Å; S73-N75 VanDerWaalsContact O-N 3.1Å; N75-I77 VanDerWaalsContact C-N 3.34Å; N75-H78 WeakPolarHBondContact O-CB 3.5Å; N75-H78 PolarHBondContact O-N 3.4Å; N75-Q79 WeakPolarHBondContact O-CG 3.5Å; N75-Q79 PolarHBondContact O-N 3.23Å |
| 76 | E | 89.2 | Confident | 88.9 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176 | -73.6 | 164.8 | 139.6 | 0 | 0 | 110.9 | F72 S73 H78 Q79 F80 | F72-E76 HydrophobicContact CB-CB 4.31Å; S73-E76 WeakPolarHBondContact CB-OE2 3.22Å; S73-E76 PolarHBondContact N-OE2 3.25Å; S73-E76 PolarHBondContact O-N 2.7Å; S73-E76 WeakPolarHBondContact OG-CG 3.28Å; S73-E76 PolarHBondContact OG-N 3.31Å; S73-E76 PolarHBondContact OG-OE2 2.9Å; E76-H78 VanDerWaalsContact C-N 3.35Å; E76-Q79 PolarHBondContact O-N 3.34Å; E76-F80 WeakPolarHBondContact O-CB 3.36Å; E76-F80 PolarHBondContact O-N 2.78Å |
| 77 | I | 90.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.1 | -61 | 168.8 | 0 | 0 | 0 | 110.1 | K46 F50 F69 F72 S73 N75 F80 I81 | K46-I77 HydrophobicContact CD-CG2 4.37Å; K46-I77 HydrophobicContact CG-CG2 4.23Å; F50-I77 HydrophobicContact CD2-CG2 4.3Å; F69-I77 HydrophobicContact CD2-CD1 3.86Å; F69-I77 HydrophobicContact CD2-CG2 4.17Å; F69-I77 HydrophobicContact CE2-CD1 3.96Å; F69-I77 HydrophobicContact CE2-CG2 3.87Å; F69-I77 HydrophobicContact CG-CD1 4.31Å; F69-I77 HydrophobicContact CZ-CD1 4.49Å; F69-I77 VanDerWaalsContact O-CD1 3.28Å; F69-I77 WeakPolarHBondContact O-CD1 3.5Å; F72-I77 HydrophobicContact CB-CD1 4.27Å; F72-I77 HydrophobicContact CB-CG1 3.82Å; S73-I77 WeakPolarHBondContact O-CG1 3.45Å; S73-I77 PolarHBondContact O-N 2.93Å; N75-I77 VanDerWaalsContact C-N 3.34Å; I77-F80 PolarHBondContact O-N 3.23Å; I77-I81 HydrophobicContact CG2-CD1 3.83Å; I77-I81 HydrophobicContact CG2-CG1 4.43Å; I77-I81 WeakPolarHBondContact O-CB 3.45Å; I77-I81 VanDerWaalsContact O-CG1 3.28Å; I77-I81 WeakPolarHBondContact O-CG1 3.31Å; I77-I81 PolarHBondContact O-N 3.05Å |
| 78 | H | 89.4 | Confident | 88.7 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 176.2 | 179.1 | 80.1 | 0 | 0 | 0 | 111.6 | D74 N75 E76 F80 I81 F82 V97 E99 F101 | D74-H78 WeakPolarHBondContact O-CB 3.37Å; D74-H78 PolarHBondContact O-N 2.86Å; N75-H78 WeakPolarHBondContact O-CB 3.5Å; N75-H78 PolarHBondContact O-N 3.4Å; E76-H78 VanDerWaalsContact C-N 3.35Å; H78-F80 VanDerWaalsContact C-N 3.35Å; H78-F80 PolarHBondContact O-N 3.16Å; H78-I81 PolarHBondContact O-N 2.97Å; H78-F82 WeakPolarHBondContact O-CB 3.45Å; H78-F82 PolarHBondContact O-N 2.8Å; H78-V97 PolarHBondContact NE2-O 2.92Å; H78-E99 PolarHBondContact CE1-O 3.17Å; H78-E99 VanDerWaalsContact CE1-O 3.29Å; H78-E99 PolarHBondContact NE2-O 2.99Å; H78-F101 AromaticContact CE1-CD2 3.26Å; H78-F101 WeakPolarHBondContact CE1-CD2 3.32Å; H78-F101 AromaticContact CE1-CE2 3.54Å; H78-F101 AromaticContact CE1-CG 3.94Å; H78-F101 AromaticContact ND1-CD2 3.16Å; H78-F101 WeakPolarHBondContact ND1-CD2 3.26Å; H78-F101 AromaticContact ND1-CE2 3.58Å |
| 79 | Q | 88.1 | Confident | 88.5 | Confident | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.5 | -73 | -179.7 | -2.2 | 0 | 0 | 111.8 | N75 E76 F82 Q83 | N75-Q79 WeakPolarHBondContact O-CG 3.5Å; N75-Q79 PolarHBondContact O-N 3.23Å; E76-Q79 PolarHBondContact O-N 3.34Å; Q79-F82 PolarHBondContact O-N 2.91Å; Q79-Q83 WeakPolarHBondContact O-CB 3.31Å; Q79-Q83 VanDerWaalsContact O-CG 3.25Å; Q79-Q83 WeakPolarHBondContact O-CG 3.42Å; Q79-Q83 PolarHBondContact O-N 3.4Å |
| 80 | F | 90.1 | Very high | 88.1 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 30% | 0.303 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.8 | 175.1 | -97.7 | 0 | 0 | 0 | 112.2 | F50 I53 E76 I77 H78 S84 | F50-F80 AromaticContact CD2-CD1 3.71Å; F50-F80 HydrophobicContact CD2-CD1 3.71Å; F50-F80 AromaticContact CD2-CE1 3.75Å; F50-F80 HydrophobicContact CD2-CE1 3.75Å; F50-F80 AromaticContact CE2-CD1 3.86Å; F50-F80 HydrophobicContact CE2-CD1 3.86Å; F50-F80 AromaticContact CE2-CE1 3.81Å; F50-F80 HydrophobicContact CE2-CE1 3.81Å; I53-F80 HydrophobicContact CB-CE1 4.17Å; I53-F80 HydrophobicContact CD1-CE1 4.32Å; I53-F80 HydrophobicContact CG2-CE1 3.64Å; I53-F80 HydrophobicContact CG2-CZ 3.67Å; E76-F80 WeakPolarHBondContact O-CB 3.36Å; E76-F80 PolarHBondContact O-N 2.78Å; I77-F80 PolarHBondContact O-N 3.23Å; H78-F80 VanDerWaalsContact C-N 3.35Å; H78-F80 PolarHBondContact O-N 3.16Å; F80-S84 VanDerWaalsContact O-CB 3.24Å; F80-S84 WeakPolarHBondContact O-CB 3.33Å; F80-S84 PolarHBondContact O-N 2.71Å; F80-S84 PolarHBondContact O-OG 3.5Å |
| 81 | I | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.8 | -70.3 | 171.3 | 0 | 0 | 0 | 110.1 | K46 V49 I53 I77 H78 S84 L85 F101 L106 | K46-I81 HydrophobicContact CG-CD1 3.58Å; V49-I81 HydrophobicContact CB-CD1 4.36Å; V49-I81 HydrophobicContact CG1-CB 4.5Å; V49-I81 HydrophobicContact CG1-CD1 4.23Å; V49-I81 HydrophobicContact CG1-CG1 4.11Å; V49-I81 HydrophobicContact CG1-CG2 3.66Å; I53-I81 HydrophobicContact CD1-CG1 4.2Å; I77-I81 HydrophobicContact CG2-CD1 3.83Å; I77-I81 HydrophobicContact CG2-CG1 4.43Å; I77-I81 WeakPolarHBondContact O-CB 3.45Å; I77-I81 VanDerWaalsContact O-CG1 3.28Å; I77-I81 WeakPolarHBondContact O-CG1 3.31Å; I77-I81 PolarHBondContact O-N 3.05Å; H78-I81 PolarHBondContact O-N 2.97Å; I81-S84 PolarHBondContact O-N 3.08Å; I81-L85 HydrophobicContact CG2-CD1 3.68Å; I81-L85 HydrophobicContact CG2-CG 4.23Å; I81-L85 WeakPolarHBondContact O-CB 3.32Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 3.44Å; I81-F101 HydrophobicContact CB-CE2 4.28Å; I81-F101 HydrophobicContact CG2-CD2 4.32Å; I81-F101 HydrophobicContact CG2-CE2 3.78Å; I81-F101 HydrophobicContact CG2-CZ 4.25Å; I81-L106 HydrophobicContact CG2-CD2 4.06Å |
| 82 | F | 88.9 | Confident | 86.3 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 179.6 | -176.1 | -89.2 | 0 | 0 | 0 | 112.3 | H78 Q79 S84 L85 L86 I93 R94 V97 F101 | H78-F82 WeakPolarHBondContact O-CB 3.45Å; H78-F82 PolarHBondContact O-N 2.8Å; Q79-F82 PolarHBondContact O-N 2.91Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 3.31Å; F82-L85 PolarHBondContact O-N 2.88Å; F82-L86 HydrophobicContact CD1-CD1 3.7Å; F82-L86 HydrophobicContact CD1-CG 4.24Å; F82-L86 HydrophobicContact CE1-CD1 3.17Å; F82-L86 HydrophobicContact CE1-CG 3.9Å; F82-L86 HydrophobicContact CZ-CD1 3.84Å; F82-L86 HydrophobicContact CZ-CG 4.25Å; F82-L86 WeakPolarHBondContact O-CB 3.44Å; F82-L86 WeakPolarHBondContact O-CG 3.44Å; F82-L86 PolarHBondContact O-N 3.05Å; F82-I93 HydrophobicContact CD2-CD1 3.79Å; F82-I93 HydrophobicContact CD2-CG1 4.13Å; F82-I93 HydrophobicContact CE2-CD1 3.79Å; F82-I93 HydrophobicContact CE2-CG1 3.76Å; F82-I93 HydrophobicContact CG-CD1 4.32Å; F82-I93 HydrophobicContact CZ-CD1 4.34Å; F82-I93 HydrophobicContact CZ-CG1 4.45Å; F82-R94 WeakPolarHBondContact CE2-O 3.13Å; F82-V97 HydrophobicContact CD1-CG1 4.38Å; F82-V97 HydrophobicContact CD1-CG2 3.94Å; F82-V97 HydrophobicContact CE1-CB 4.22Å; F82-V97 HydrophobicContact CE1-CG2 3.36Å; F82-V97 HydrophobicContact CZ-CB 4.38Å; F82-V97 HydrophobicContact CZ-CG2 3.77Å; F82-F101 HydrophobicContact CB-CE2 3.92Å; F82-F101 HydrophobicContact CB-CZ 3.79Å; F82-F101 HydrophobicContact CD2-CE1 4.26Å; F82-F101 HydrophobicContact CD2-CE2 4.35Å; F82-F101 AromaticContact CD2-CZ 3.63Å; F82-F101 HydrophobicContact CD2-CZ 3.63Å; F82-F101 HydrophobicContact CG-CZ 4.18Å |
| 83 | Q | 88.7 | Confident | 85.4 | Confident | 113 Ų | 113 | 50.8 Ų | 50.8 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 177.6 | -67.7 | -62.6 | -20.4 | 0 | 0 | 111.9 | Q79 K87 | Q79-Q83 WeakPolarHBondContact O-CB 3.31Å; Q79-Q83 VanDerWaalsContact O-CG 3.25Å; Q79-Q83 WeakPolarHBondContact O-CG 3.42Å; Q79-Q83 PolarHBondContact O-N 3.4Å; Q83-K87 VanDerWaalsContact O-CB 3.29Å; Q83-K87 WeakPolarHBondContact O-CB 3.25Å; Q83-K87 PolarHBondContact O-N 3.39Å |
| 84 | S | 89.8 | Confident | 84.4 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | F80 I81 F82 L86 K87 Y88 | F80-S84 VanDerWaalsContact O-CB 3.24Å; F80-S84 WeakPolarHBondContact O-CB 3.33Å; F80-S84 PolarHBondContact O-N 2.71Å; F80-S84 PolarHBondContact O-OG 3.5Å; I81-S84 PolarHBondContact O-N 3.08Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 3.31Å; S84-L86 PolarHBondContact O-N 3.43Å; S84-K87 WeakPolarHBondContact O-CB 3.15Å; S84-K87 PolarHBondContact O-N 3.21Å; S84-Y88 WeakPolarHBondContact O-CB 3.36Å; S84-Y88 WeakPolarHBondContact O-CD2 3.44Å; S84-Y88 PolarHBondContact O-N 3.42Å |
| 85 | L | 89.1 | Confident | 83 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176.5 | -75.8 | 172.2 | 0 | 0 | 0 | 112 | I81 F82 Y88 G89 F90 I93 F101 I113 | I81-L85 HydrophobicContact CG2-CD1 3.68Å; I81-L85 HydrophobicContact CG2-CG 4.23Å; I81-L85 WeakPolarHBondContact O-CB 3.32Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 3.44Å; F82-L85 PolarHBondContact O-N 2.88Å; L85-Y88 CarbonylContact O-C 3.31Å; L85-Y88 PolarHBondContact O-N 3.23Å; L85-G89 PolarHBondContact O-N 3.19Å; L85-G89 VanDerWaalsContact O-N 3.17Å; L85-F90 HydrophobicContact CB-CB 4Å; L85-F90 HydrophobicContact CB-CD1 4.46Å; L85-F90 HydrophobicContact CD1-CD1 4.32Å; L85-F90 HydrophobicContact CD2-CB 3.88Å; L85-F90 HydrophobicContact CD2-CD1 4.19Å; L85-F90 HydrophobicContact CD2-CG 4.02Å; L85-F90 WeakPolarHBondContact O-CB 3.49Å; L85-F90 PolarHBondContact O-N 3.13Å; L85-I93 HydrophobicContact CB-CD1 3.83Å; L85-F101 HydrophobicContact CD1-CE1 4.1Å; L85-F101 HydrophobicContact CD1-CZ 3.96Å; L85-I113 HydrophobicContact CD2-CD1 3.59Å; L85-I113 HydrophobicContact CD2-CG1 4.1Å |
| 86 | L | 86.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 171.3 | -79.3 | -179.4 | 0 | 0 | 0 | 111.6 | F82 S84 Y88 G89 I93 | F82-L86 HydrophobicContact CD1-CD1 3.7Å; F82-L86 HydrophobicContact CD1-CG 4.24Å; F82-L86 HydrophobicContact CE1-CD1 3.17Å; F82-L86 HydrophobicContact CE1-CG 3.9Å; F82-L86 HydrophobicContact CZ-CD1 3.84Å; F82-L86 HydrophobicContact CZ-CG 4.25Å; F82-L86 WeakPolarHBondContact O-CB 3.44Å; F82-L86 WeakPolarHBondContact O-CG 3.44Å; F82-L86 PolarHBondContact O-N 3.05Å; S84-L86 PolarHBondContact O-N 3.43Å; L86-Y88 PolarHBondContact O-N 3.06Å; L86-G89 PolarHBondContact O-N 3.31Å; L86-I93 HydrophobicContact CD2-CD1 3.9Å; L86-I93 HydrophobicContact CD2-CG1 4.43Å; L86-I93 HydrophobicContact CD2-CG2 3.85Å; L86-I93 HydrophobicContact CG-CD1 3.79Å |
| 87 | K | 86.5 | Confident | 80.4 | Confident | 166 Ų | 166 | 55.7 Ų | 55.7 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59 | -37.6 | 178.4 | -177 | -177.6 | 178.7 | -179.8 | 0 | 112.1 | Q83 S84 G89 | Q83-K87 VanDerWaalsContact O-CB 3.29Å; Q83-K87 WeakPolarHBondContact O-CB 3.25Å; Q83-K87 PolarHBondContact O-N 3.39Å; S84-K87 WeakPolarHBondContact O-CB 3.15Å; S84-K87 PolarHBondContact O-N 3.21Å; K87-G89 PolarHBondContact O-N 3.04Å |
| 88 | Y | 85.6 | Confident | 79.1 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 6.1 | 178.8 | -60.4 | -33.3 | 0 | 0 | 0 | 113.8 | I53 S84 L85 L86 F90 W112 I113 F117 | I53-Y88 HydrophobicContact CG1-CE2 4.19Å; I53-Y88 HydrophobicContact CG2-CE2 4.2Å; S84-Y88 WeakPolarHBondContact O-CB 3.36Å; S84-Y88 WeakPolarHBondContact O-CD2 3.44Å; S84-Y88 PolarHBondContact O-N 3.42Å; L85-Y88 CarbonylContact O-C 3.31Å; L85-Y88 PolarHBondContact O-N 3.23Å; L86-Y88 PolarHBondContact O-N 3.06Å; Y88-F90 VanDerWaalsContact C-N 3.34Å; Y88-F90 PolarHBondContact O-N 3.44Å; Y88-W112 PolarHBondContact O-NE1 2.86Å; Y88-I113 HydrophobicContact CD2-CD1 4.06Å; Y88-I113 HydrophobicContact CD2-CG1 4.08Å; Y88-F117 HydrophobicContact CD1-CE1 4.14Å; Y88-F117 AromaticContact CD1-CE2 3.7Å; Y88-F117 HydrophobicContact CD1-CE2 3.7Å; Y88-F117 AromaticContact CD1-CZ 3.23Å; Y88-F117 HydrophobicContact CD1-CZ 3.23Å; Y88-F117 HydrophobicContact CD2-CE2 4.23Å; Y88-F117 HydrophobicContact CE1-CE1 4.23Å; Y88-F117 HydrophobicContact CE1-CE2 4.27Å; Y88-F117 AromaticContact CE1-CZ 3.71Å; Y88-F117 HydrophobicContact CE1-CZ 3.71Å; Y88-F117 AromaticContact CG-CE2 3.66Å; Y88-F117 HydrophobicContact CG-CE2 3.66Å; Y88-F117 AromaticContact CG-CZ 3.71Å; Y88-F117 HydrophobicContact CG-CZ 3.71Å |
| 89 | G | 80.1 | Confident | 78.3 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 31.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L85 L86 K87 P91 | L85-G89 PolarHBondContact O-N 3.19Å; L85-G89 VanDerWaalsContact O-N 3.17Å; L86-G89 PolarHBondContact O-N 3.31Å; K87-G89 PolarHBondContact O-N 3.04Å; G89-P91 VanDerWaalsContact O-CD 3.23Å; G89-P91 WeakPolarHBondContact O-CD 3.49Å; G89-P91 VanDerWaalsContact O-N 3.13Å |
| 90 | F | 81.9 | Confident | 77.9 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | trans | -61.1 | 115.2 | 177.7 | 178.2 | -125 | 0 | 0 | 0 | 110.3 | L85 Y88 L92 I93 L108 W112 | L85-F90 HydrophobicContact CB-CB 4Å; L85-F90 HydrophobicContact CB-CD1 4.46Å; L85-F90 HydrophobicContact CD1-CD1 4.32Å; L85-F90 HydrophobicContact CD2-CB 3.88Å; L85-F90 HydrophobicContact CD2-CD1 4.19Å; L85-F90 HydrophobicContact CD2-CG 4.02Å; L85-F90 WeakPolarHBondContact O-CB 3.49Å; L85-F90 PolarHBondContact O-N 3.13Å; Y88-F90 VanDerWaalsContact C-N 3.34Å; Y88-F90 PolarHBondContact O-N 3.44Å; F90-L92 HydrophobicContact CE1-CB 3.91Å; F90-L92 HydrophobicContact CE2-CB 4.11Å; F90-L92 HydrophobicContact CE2-CD1 4.35Å; F90-L92 HydrophobicContact CE2-CG 4.43Å; F90-L92 HydrophobicContact CZ-CB 3.59Å; F90-L92 HydrophobicContact CZ-CD1 4.28Å; F90-L92 HydrophobicContact CZ-CG 4.33Å; F90-L92 PolarHBondContact O-N 3.23Å; F90-I93 HydrophobicContact CD1-CB 3.95Å; F90-I93 WeakPolarHBondContact O-CG2 3.46Å; F90-L108 HydrophobicContact CE2-CB 4.36Å; F90-L108 HydrophobicContact CZ-CB 4.04Å; F90-W112 HydrophobicContact CD2-CB 3.63Å; F90-W112 AromaticContact CD2-CD1 3.86Å; F90-W112 HydrophobicContact CD2-CD2 4.35Å; F90-W112 AromaticContact CD2-CG 3.65Å; F90-W112 HydrophobicContact CD2-CG 3.65Å; F90-W112 HydrophobicContact CE2-CB 3.95Å; F90-W112 HydrophobicContact CE2-CG 4.41Å | ||
| 91 | P | 69.2 | Low | 77.7 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.7 | -166.7 | 26.5 | -33.4 | 0 | 0 | 0 | 114.5 | G89 I93 W112 | G89-P91 VanDerWaalsContact O-CD 3.23Å; G89-P91 WeakPolarHBondContact O-CD 3.49Å; G89-P91 VanDerWaalsContact O-N 3.13Å; P91-I93 VanDerWaalsContact C-N 3.32Å; P91-W112 HydrophobicContact CG-CZ3 4.44Å |
| 92 | L | 71.4 | Confident | 77.5 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 16.1 | -175.9 | -53.3 | 169.3 | 0 | 0 | 0 | 112.4 | F90 L108 L245 L252 V261 | F90-L92 HydrophobicContact CE1-CB 3.91Å; F90-L92 HydrophobicContact CE2-CB 4.11Å; F90-L92 HydrophobicContact CE2-CD1 4.35Å; F90-L92 HydrophobicContact CE2-CG 4.43Å; F90-L92 HydrophobicContact CZ-CB 3.59Å; F90-L92 HydrophobicContact CZ-CD1 4.28Å; F90-L92 HydrophobicContact CZ-CG 4.33Å; F90-L92 PolarHBondContact O-N 3.23Å; L92-L108 HydrophobicContact CD1-CD1 3.99Å; L92-L245 HydrophobicContact CD1-CD2 3.92Å; L92-L252 HydrophobicContact CB-CD1 4.48Å; L92-L252 HydrophobicContact CD2-CD1 3.74Å; L92-V261 HydrophobicContact CD2-CG1 3.88Å |
| 93 | I | 71.1 | Confident | 77.6 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | trans | -69.5 | 131.2 | 175.7 | -163.7 | 150.5 | 0 | 0 | 0 | 110.2 | F82 L85 L86 F90 P91 F101 | F82-I93 HydrophobicContact CD2-CD1 3.79Å; F82-I93 HydrophobicContact CD2-CG1 4.13Å; F82-I93 HydrophobicContact CE2-CD1 3.79Å; F82-I93 HydrophobicContact CE2-CG1 3.76Å; F82-I93 HydrophobicContact CG-CD1 4.32Å; F82-I93 HydrophobicContact CZ-CD1 4.34Å; F82-I93 HydrophobicContact CZ-CG1 4.45Å; L85-I93 HydrophobicContact CB-CD1 3.83Å; L86-I93 HydrophobicContact CD2-CD1 3.9Å; L86-I93 HydrophobicContact CD2-CG1 4.43Å; L86-I93 HydrophobicContact CD2-CG2 3.85Å; L86-I93 HydrophobicContact CG-CD1 3.79Å; F90-I93 HydrophobicContact CD1-CB 3.95Å; F90-I93 WeakPolarHBondContact O-CG2 3.46Å; P91-I93 VanDerWaalsContact C-N 3.32Å; I93-F101 HydrophobicContact CG1-CE1 4.49Å | ||
| 94 | R | 69.2 | Low | 77.6 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | trans | -70.8 | 141.4 | 168.5 | -64 | -170.9 | -172.5 | 168.5 | 4.5 | 108.5 | F82 N96 E99 | F82-R94 WeakPolarHBondContact CE2-O 3.13Å; R94-N96 VanDerWaalsContact C-N 3.26Å; R94-N96 PolarHBondContact O-N 3.01Å; R94-E99 WeakPolarHBondContact CD-OE2 3.47Å; R94-E99 IonicContact CZ-OE2 2.63Å; R94-E99 IonicContact NE-OE2 3.02Å; R94-E99 IonicContact NH1-OE2 2.92Å; R94-E99 PolarHBondContact NH1-OE2 3.4Å | ||
| 95 | R | 58.4 | Low | 77.5 | Confident | 207 Ų | 207 | 60.7 Ų | 60.7 | 78% | 0.781 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -68.1 | -22.5 | -170.9 | -71.8 | -175.6 | -179.7 | 175.3 | -0.2 | 113.9 | ||
| 96 | N | 62.7 | Low | 77.6 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | trans | -91.7 | 125.5 | -176.5 | -72.4 | -18.5 | 0 | 0 | 0 | 111.6 | R94 D98 E99 | R94-N96 VanDerWaalsContact C-N 3.26Å; R94-N96 PolarHBondContact O-N 3.01Å; N96-D98 PolarHBondContact O-N 2.98Å; N96-E99 HydrophobicContact CB-CG 4.02Å; N96-E99 PolarHBondContact ND2-OE1 3.49Å; N96-E99 PolarHBondContact O-N 3.41Å | ||
| 97 | V | 60.4 | Low | 77.9 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -34 | 173.8 | -177 | 0 | 0 | 0 | 0 | 111.1 | H78 F82 E99 | H78-V97 PolarHBondContact NE2-O 2.92Å; F82-V97 HydrophobicContact CD1-CG1 4.38Å; F82-V97 HydrophobicContact CD1-CG2 3.94Å; F82-V97 HydrophobicContact CE1-CB 4.22Å; F82-V97 HydrophobicContact CE1-CG2 3.36Å; F82-V97 HydrophobicContact CZ-CB 4.38Å; F82-V97 HydrophobicContact CZ-CG2 3.77Å; V97-E99 PolarHBondContact O-N 3.31Å |
| 98 | D | 61.2 | Low | 78 | Confident | 154 Ų | 154 | 49.2 Ų | 49.2 | 82% | 0.824 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.4 | -175.8 | -58.2 | -33.9 | 0 | 0 | 0 | 113.4 | N96 N100 | N96-D98 PolarHBondContact O-N 2.98Å; D98-N100 PolarHBondContact O-N 2.74Å |
| 99 | E | 73.2 | Confident | 78.2 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -81 | 121 | 174.1 | -72.4 | -176.1 | -141 | 0 | 0 | 110.1 | H78 R94 N96 V97 F101 | H78-E99 PolarHBondContact CE1-O 3.17Å; H78-E99 VanDerWaalsContact CE1-O 3.29Å; H78-E99 PolarHBondContact NE2-O 2.99Å; R94-E99 WeakPolarHBondContact CD-OE2 3.47Å; R94-E99 IonicContact CZ-OE2 2.63Å; R94-E99 IonicContact NE-OE2 3.02Å; R94-E99 IonicContact NH1-OE2 2.92Å; R94-E99 PolarHBondContact NH1-OE2 3.4Å; N96-E99 HydrophobicContact CB-CG 4.02Å; N96-E99 PolarHBondContact ND2-OE1 3.49Å; N96-E99 PolarHBondContact O-N 3.41Å; V97-E99 PolarHBondContact O-N 3.31Å; E99-F101 PolarHBondContact O-N 3.33Å |
| 100 | N | 81.2 | Confident | 78.8 | Confident | 123 Ų | 123 | 45.5 Ų | 45.5 | 66% | 0.658 | 22% | 0.218 | S | C | * | . | P | Polyproline II helix | trans | -59 | 134.4 | 172.8 | -71.3 | -23.6 | 0 | 0 | 0 | 110 | D98 T102 | D98-N100 PolarHBondContact O-N 2.74Å; N100-T102 PolarHBondContact O-N 3.1Å |
| 101 | F | 84.7 | Confident | 79.1 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 140.7 | 172.4 | -72 | -66.2 | 0 | 0 | 0 | 110.4 | L42 H78 I81 F82 L85 I93 E99 L106 | L42-F101 VanDerWaalsContact CD1-O 3.27Å; L42-F101 WeakPolarHBondContact CD1-O 3.31Å; H78-F101 AromaticContact CE1-CD2 3.26Å; H78-F101 WeakPolarHBondContact CE1-CD2 3.32Å; H78-F101 AromaticContact CE1-CE2 3.54Å; H78-F101 AromaticContact CE1-CG 3.94Å; H78-F101 AromaticContact ND1-CD2 3.16Å; H78-F101 WeakPolarHBondContact ND1-CD2 3.26Å; H78-F101 AromaticContact ND1-CE2 3.58Å; I81-F101 HydrophobicContact CB-CE2 4.28Å; I81-F101 HydrophobicContact CG2-CD2 4.32Å; I81-F101 HydrophobicContact CG2-CE2 3.78Å; I81-F101 HydrophobicContact CG2-CZ 4.25Å; F82-F101 HydrophobicContact CB-CE2 3.92Å; F82-F101 HydrophobicContact CB-CZ 3.79Å; F82-F101 HydrophobicContact CD2-CE1 4.26Å; F82-F101 HydrophobicContact CD2-CE2 4.35Å; F82-F101 AromaticContact CD2-CZ 3.63Å; F82-F101 HydrophobicContact CD2-CZ 3.63Å; F82-F101 HydrophobicContact CG-CZ 4.18Å; L85-F101 HydrophobicContact CD1-CE1 4.1Å; L85-F101 HydrophobicContact CD1-CZ 3.96Å; I93-F101 HydrophobicContact CG1-CE1 4.49Å; E99-F101 PolarHBondContact O-N 3.33Å; F101-L106 HydrophobicContact CB-CD1 4.04Å; F101-L106 HydrophobicContact CB-CD2 3.54Å; F101-L106 HydrophobicContact CB-CG 3.6Å; F101-L106 HydrophobicContact CD1-CD2 4.12Å; F101-L106 HydrophobicContact CD2-CD2 3.66Å; F101-L106 HydrophobicContact CE2-CD2 4.38Å; F101-L106 HydrophobicContact CG-CD2 3.52Å; F101-L106 HydrophobicContact CG-CG 4.15Å |
| 102 | T | 87.7 | Confident | 79.9 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 155.5 | 169.2 | 90 | 0 | 0 | 0 | 0 | 110.9 | D37 N100 R104 Q105 L106 | D37-T102 VanDerWaalsContact CG-CB 3.42Å; D37-T102 WeakPolarHBondContact OD1-CB 3.43Å; D37-T102 PolarHBondContact OD1-OG1 3.23Å; D37-T102 VanDerWaalsContact OD2-CB 3.24Å; D37-T102 WeakPolarHBondContact OD2-CB 3.17Å; D37-T102 PolarHBondContact OD2-OG1 2.97Å; N100-T102 PolarHBondContact O-N 3.1Å; T102-R104 PolarHBondContact O-N 3.07Å; T102-Q105 PolarHBondContact O-N 2.96Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.41Å; T102-Q105 PolarHBondContact OG1-N 3.37Å; T102-L106 PolarHBondContact O-N 3.17Å |
| 103 | S | 90.6 | Very high | 80.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -32.2 | -178.1 | 61 | 0 | 0 | 0 | 0 | 111.7 | D37 D38 L107 | D37-S103 VanDerWaalsContact CA-OG 3.32Å; D37-S103 WeakPolarHBondContact CA-OG 3.32Å; D37-S103 PolarHBondContact OD1-N 3.25Å; D38-S103 PolarHBondContact N-OG 3.37Å; D38-S103 WeakPolarHBondContact O-CB 3.47Å; D38-S103 PolarHBondContact O-OG 2.96Å; S103-L107 WeakPolarHBondContact O-CB 3.13Å; S103-L107 PolarHBondContact O-N 3.17Å |
| 104 | R | 89.5 | Confident | 81.5 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 171.9 | -172.4 | -175.6 | -67.2 | 140.9 | -0.8 | 112.4 | A34 K35 D37 T102 L107 L108 I244 N251 | A34-R104 WeakPolarHBondContact O-CA 3.49Å; A34-R104 VanDerWaalsContact O-CB 3.3Å; A34-R104 WeakPolarHBondContact O-CB 3.47Å; A34-R104 PolarHBondContact O-N 3.26Å; K35-R104 VanDerWaalsContact O-CZ 3.28Å; K35-R104 PolarHBondContact O-NE 3.42Å; K35-R104 PolarHBondContact O-NH2 3.23Å; D37-R104 HydrophobicContact CB-CB 4.27Å; D37-R104 VanDerWaalsContact OD1-CB 3.31Å; D37-R104 WeakPolarHBondContact OD1-CB 3.26Å; D37-R104 PolarHBondContact OD1-N 3.02Å; T102-R104 PolarHBondContact O-N 3.07Å; R104-L107 PolarHBondContact O-N 3.02Å; R104-L108 HydrophobicContact CG-CD1 4.48Å; R104-L108 WeakPolarHBondContact O-CG 3.3Å; R104-L108 PolarHBondContact O-N 3.25Å; R104-I244 HydrophobicContact CG-CG2 3.9Å; R104-N251 PolarHBondContact NH1-ND2 3.37Å |
| 105 | Q | 87.5 | Confident | 82 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 179.8 | -74.8 | 177.2 | -28.4 | 0 | 0 | 111.9 | T102 L107 L108 G109 | T102-Q105 PolarHBondContact O-N 2.96Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.41Å; T102-Q105 PolarHBondContact OG1-N 3.37Å; Q105-L107 VanDerWaalsContact C-N 3.31Å; Q105-L107 PolarHBondContact O-N 2.85Å; Q105-L108 PolarHBondContact O-N 2.96Å; Q105-G109 PolarHBondContact O-N 2.72Å |
| 106 | L | 91.4 | Very high | 83.1 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.5 | -65.9 | 177.2 | 0 | 0 | 0 | 111.4 | L42 I45 K46 V49 I81 F101 T102 G109 S110 | L42-L106 HydrophobicContact CD1-CD1 3.68Å; I45-L106 HydrophobicContact CB-CB 4.45Å; I45-L106 HydrophobicContact CG2-CB 3.55Å; K46-L106 HydrophobicContact CB-CD1 3.79Å; K46-L106 HydrophobicContact CG-CD1 4.23Å; V49-L106 HydrophobicContact CG2-CB 4.06Å; V49-L106 HydrophobicContact CG2-CD2 4.43Å; V49-L106 VanDerWaalsContact CG2-O 3.24Å; V49-L106 WeakPolarHBondContact CG2-O 3.21Å; I81-L106 HydrophobicContact CG2-CD2 4.06Å; F101-L106 HydrophobicContact CB-CD1 4.04Å; F101-L106 HydrophobicContact CB-CD2 3.54Å; F101-L106 HydrophobicContact CB-CG 3.6Å; F101-L106 HydrophobicContact CD1-CD2 4.12Å; F101-L106 HydrophobicContact CD2-CD2 3.66Å; F101-L106 HydrophobicContact CE2-CD2 4.38Å; F101-L106 HydrophobicContact CG-CD2 3.52Å; F101-L106 HydrophobicContact CG-CG 4.15Å; T102-L106 PolarHBondContact O-N 3.17Å; L106-G109 PolarHBondContact O-N 2.84Å; L106-S110 WeakPolarHBondContact O-CB 3.38Å; L106-S110 PolarHBondContact O-N 2.76Å |
| 107 | L | 92.5 | Very high | 84 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.3 | 178.8 | 63.9 | 0 | 0 | 0 | 110.5 | V31 A34 I45 S103 R104 Q105 G109 S110 I111 W240 I244 | V31-L107 HydrophobicContact CG1-CD1 4.12Å; A34-L107 HydrophobicContact CB-CB 4.2Å; A34-L107 HydrophobicContact CB-CD2 4.01Å; I45-L107 HydrophobicContact CD1-CD1 4.48Å; I45-L107 HydrophobicContact CG2-CB 4.16Å; S103-L107 WeakPolarHBondContact O-CB 3.13Å; S103-L107 PolarHBondContact O-N 3.17Å; R104-L107 PolarHBondContact O-N 3.02Å; Q105-L107 VanDerWaalsContact C-N 3.31Å; Q105-L107 PolarHBondContact O-N 2.85Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 3.17Å; L107-S110 WeakPolarHBondContact O-CB 3.43Å; L107-S110 PolarHBondContact O-N 3.35Å; L107-S110 PolarHBondContact O-OG 3.37Å; L107-I111 HydrophobicContact CD1-CG1 4.42Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.34Å; L107-I111 PolarHBondContact O-N 2.89Å; L107-W240 HydrophobicContact CD2-CH2 4.04Å; L107-W240 HydrophobicContact CD2-CZ3 4.5Å; L107-I244 HydrophobicContact CD2-CD1 3.7Å |
| 108 | L | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 178 | -69 | 178.2 | 0 | 0 | 0 | 112.6 | F90 L92 R104 Q105 I111 W112 I244 L245 H248 | F90-L108 HydrophobicContact CE2-CB 4.36Å; F90-L108 HydrophobicContact CZ-CB 4.04Å; L92-L108 HydrophobicContact CD1-CD1 3.99Å; R104-L108 HydrophobicContact CG-CD1 4.48Å; R104-L108 WeakPolarHBondContact O-CG 3.3Å; R104-L108 PolarHBondContact O-N 3.25Å; Q105-L108 PolarHBondContact O-N 2.96Å; L108-I111 PolarHBondContact O-N 3.44Å; L108-W112 WeakPolarHBondContact O-CB 3.5Å; L108-W112 PolarHBondContact O-N 3.16Å; L108-I244 HydrophobicContact CD1-CG2 4.4Å; L108-I244 HydrophobicContact CD2-CB 4.24Å; L108-I244 HydrophobicContact CD2-CG2 3.9Å; L108-I244 HydrophobicContact CG-CG2 4.21Å; L108-L245 HydrophobicContact CD1-CD2 4.1Å; L108-L245 HydrophobicContact CD2-CD2 3.63Å; L108-L245 HydrophobicContact CD2-CG 3.89Å; L108-L245 HydrophobicContact CG-CD2 4.42Å; L108-H248 HydrophobicContact CD1-CB 3.73Å |
| 109 | G | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q105 L106 L107 I111 W112 I113 | Q105-G109 PolarHBondContact O-N 2.72Å; L106-G109 PolarHBondContact O-N 2.84Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 3.17Å; G109-I111 PolarHBondContact O-N 3.49Å; G109-W112 PolarHBondContact O-N 2.86Å; G109-I113 VanDerWaalsContact O-CG1 3.26Å; G109-I113 WeakPolarHBondContact O-CG1 3.47Å; G109-I113 PolarHBondContact O-N 3.28Å |
| 110 | S | 92 | Very high | 86.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 174.3 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | L106 L107 I113 L114 | L106-S110 WeakPolarHBondContact O-CB 3.38Å; L106-S110 PolarHBondContact O-N 2.76Å; L107-S110 WeakPolarHBondContact O-CB 3.43Å; L107-S110 PolarHBondContact O-N 3.35Å; L107-S110 PolarHBondContact O-OG 3.37Å; S110-I113 PolarHBondContact O-N 3.01Å; S110-L114 VanDerWaalsContact O-CG 3.23Å; S110-L114 WeakPolarHBondContact O-CG 3.17Å; S110-L114 PolarHBondContact O-N 3.41Å |
| 111 | I | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.8 | -38 | -177.9 | -57.7 | -74.5 | 0 | 0 | 0 | 111.4 | L107 L108 G109 I113 L114 V115 F237 W238 I241 F268 | L107-I111 HydrophobicContact CD1-CG1 4.42Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.34Å; L107-I111 PolarHBondContact O-N 2.89Å; L108-I111 PolarHBondContact O-N 3.44Å; G109-I111 PolarHBondContact O-N 3.49Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 2.96Å; I111-L114 HydrophobicContact CD1-CD1 4.13Å; I111-L114 PolarHBondContact O-N 2.96Å; I111-V115 HydrophobicContact CG2-CG2 4.36Å; I111-V115 WeakPolarHBondContact O-CG2 3.33Å; I111-V115 PolarHBondContact O-N 3.17Å; I111-F237 HydrophobicContact CD1-CE1 4.06Å; I111-F237 HydrophobicContact CD1-CZ 3.79Å; I111-W238 HydrophobicContact CG2-CH2 4.26Å; I111-W238 HydrophobicContact CG2-CZ3 3.59Å; I111-I241 HydrophobicContact CD1-CD1 3.78Å; I111-I241 HydrophobicContact CD1-CG1 4.23Å; I111-I241 HydrophobicContact CG1-CD1 3.83Å; I111-I241 HydrophobicContact CG1-CG1 4.46Å; I111-I241 HydrophobicContact CG2-CG1 4.48Å; I111-I241 HydrophobicContact CG2-CG2 3.94Å; I111-F268 HydrophobicContact CB-CZ 4.43Å; I111-F268 HydrophobicContact CG2-CZ 3.95Å |
| 112 | W | 85.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 23.6 Ų | 23.6 | 11% | 0.114 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54 | -53.6 | 171 | 172.2 | -103.3 | 0 | 0 | 0 | 110.5 | Y88 F90 P91 L108 G109 L114 V115 S116 F268 | Y88-W112 PolarHBondContact O-NE1 2.86Å; F90-W112 HydrophobicContact CD2-CB 3.63Å; F90-W112 AromaticContact CD2-CD1 3.86Å; F90-W112 HydrophobicContact CD2-CD2 4.35Å; F90-W112 AromaticContact CD2-CG 3.65Å; F90-W112 HydrophobicContact CD2-CG 3.65Å; F90-W112 HydrophobicContact CE2-CB 3.95Å; F90-W112 HydrophobicContact CE2-CG 4.41Å; P91-W112 HydrophobicContact CG-CZ3 4.44Å; L108-W112 WeakPolarHBondContact O-CB 3.5Å; L108-W112 PolarHBondContact O-N 3.16Å; G109-W112 PolarHBondContact O-N 2.86Å; W112-L114 VanDerWaalsContact C-N 3.32Å; W112-L114 PolarHBondContact O-N 3.45Å; W112-V115 PolarHBondContact O-N 2.96Å; W112-S116 VanDerWaalsContact CE2-OG 3.3Å; W112-S116 WeakPolarHBondContact O-CB 3.48Å; W112-S116 PolarHBondContact O-N 3.16Å; W112-S116 PolarHBondContact O-OG 2.82Å; W112-F268 HydrophobicContact CE3-CB 4.43Å; W112-F268 AromaticContact CE3-CD2 3.46Å; W112-F268 HydrophobicContact CE3-CD2 3.46Å; W112-F268 VanDerWaalsContact CE3-CD2 3.46Å; W112-F268 AromaticContact CE3-CE2 3.81Å; W112-F268 HydrophobicContact CE3-CE2 3.81Å; W112-F268 HydrophobicContact CE3-CG 4.02Å; W112-F268 HydrophobicContact CZ3-CB 4.17Å; W112-F268 AromaticContact CZ3-CD2 3.75Å; W112-F268 HydrophobicContact CZ3-CD2 3.75Å; W112-F268 HydrophobicContact CZ3-CE2 4.49Å; W112-F268 HydrophobicContact CZ3-CG 4.21Å |
| 113 | I | 87.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 179.2 | -68.2 | 170.8 | 0 | 0 | 0 | 111.1 | I52 I53 I56 L85 Y88 G109 S110 I111 V115 S116 F117 | I52-I113 HydrophobicContact CG2-CB 4.19Å; I52-I113 HydrophobicContact CG2-CG2 3.43Å; I52-I113 VanDerWaalsContact CG2-CG2 3.43Å; I53-I113 HydrophobicContact CD1-CD1 4.41Å; I53-I113 HydrophobicContact CG1-CD1 3.89Å; I56-I113 HydrophobicContact CD1-CB 4.48Å; I56-I113 HydrophobicContact CD1-CG2 2.99Å; I56-I113 HydrophobicContact CG1-CG2 4.43Å; L85-I113 HydrophobicContact CD2-CD1 3.59Å; L85-I113 HydrophobicContact CD2-CG1 4.1Å; Y88-I113 HydrophobicContact CD2-CD1 4.06Å; Y88-I113 HydrophobicContact CD2-CG1 4.08Å; G109-I113 VanDerWaalsContact O-CG1 3.26Å; G109-I113 WeakPolarHBondContact O-CG1 3.47Å; G109-I113 PolarHBondContact O-N 3.28Å; S110-I113 PolarHBondContact O-N 3.01Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 2.96Å; I113-V115 VanDerWaalsContact C-N 3.28Å; I113-V115 PolarHBondContact O-N 3.35Å; I113-S116 PolarHBondContact O-N 3.28Å; I113-F117 HydrophobicContact CG2-CD2 4.01Å; I113-F117 WeakPolarHBondContact O-CD2 3.45Å; I113-F117 PolarHBondContact O-N 3.45Å; I113-F117 VanDerWaalsContact O-N 3.17Å |
| 114 | L | 87.2 | Confident | 85 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 179.3 | -72.7 | 169.9 | 0 | 0 | 0 | 112.7 | F14 I52 S110 I111 W112 V119 | F14-L114 HydrophobicContact CE2-CD1 4.17Å; F14-L114 HydrophobicContact CZ-CD1 3.68Å; I52-L114 HydrophobicContact CD1-CD1 4.11Å; I52-L114 HydrophobicContact CD1-CD2 4.02Å; I52-L114 HydrophobicContact CD1-CG 3.99Å; I52-L114 HydrophobicContact CG1-CD2 4.22Å; I52-L114 HydrophobicContact CG2-CD2 4.15Å; I52-L114 HydrophobicContact CG2-CG 4.48Å; S110-L114 VanDerWaalsContact O-CG 3.23Å; S110-L114 WeakPolarHBondContact O-CG 3.17Å; S110-L114 PolarHBondContact O-N 3.41Å; I111-L114 HydrophobicContact CD1-CD1 4.13Å; I111-L114 PolarHBondContact O-N 2.96Å; W112-L114 VanDerWaalsContact C-N 3.32Å; W112-L114 PolarHBondContact O-N 3.45Å; L114-V119 HydrophobicContact CD2-CB 3.56Å; L114-V119 HydrophobicContact CD2-CG1 3.41Å; L114-V119 VanDerWaalsContact CD2-CG1 3.41Å; L114-V119 HydrophobicContact CD2-CG2 4.19Å; L114-V119 PolarHBondContact O-N 3Å; L114-V119 VanDerWaalsContact O-N 3.11Å |
| 115 | V | 81.5 | Confident | 84.4 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 13% | 0.133 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -79.3 | -43.8 | 179.8 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | I111 W112 I113 F117 W238 F268 L271 L275 | I111-V115 HydrophobicContact CG2-CG2 4.36Å; I111-V115 WeakPolarHBondContact O-CG2 3.33Å; I111-V115 PolarHBondContact O-N 3.17Å; W112-V115 PolarHBondContact O-N 2.96Å; I113-V115 VanDerWaalsContact C-N 3.28Å; I113-V115 PolarHBondContact O-N 3.35Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.81Å; V115-W238 HydrophobicContact CG2-CH2 3.53Å; V115-W238 HydrophobicContact CG2-CZ3 3.75Å; V115-F268 HydrophobicContact CB-CE2 4.45Å; V115-F268 HydrophobicContact CG2-CE2 4.43Å; V115-L271 HydrophobicContact CG1-CB 4.49Å; V115-L275 HydrophobicContact CG1-CD1 4.29Å; V115-L275 HydrophobicContact CG2-CD1 4.41Å |
| 116 | S | 79.9 | Confident | 84.1 | Confident | 48 Ų | 48 | 32.3 Ų | 32.3 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -71.7 | -23.7 | -174.3 | -60.8 | 0 | 0 | 0 | 0 | 114.2 | W112 I113 | W112-S116 VanDerWaalsContact CE2-OG 3.3Å; W112-S116 WeakPolarHBondContact O-CB 3.48Å; W112-S116 PolarHBondContact O-N 3.16Å; W112-S116 PolarHBondContact O-OG 2.82Å; I113-S116 PolarHBondContact O-N 3.28Å |
| 117 | F | 82.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 15.5 | -176.4 | -66.9 | -84.3 | 0 | 0 | 0 | 114.1 | I56 Y88 I113 V115 V119 K122 | I56-F117 HydrophobicContact CD1-CB 3.66Å; I56-F117 HydrophobicContact CD1-CD2 3.79Å; I56-F117 HydrophobicContact CD1-CG 3.75Å; I56-F117 HydrophobicContact CG1-CB 4.05Å; I56-F117 HydrophobicContact CG1-CG 4.42Å; I56-F117 HydrophobicContact CG2-CD1 4.07Å; I56-F117 HydrophobicContact CG2-CG 4.25Å; Y88-F117 HydrophobicContact CD1-CE1 4.14Å; Y88-F117 AromaticContact CD1-CE2 3.7Å; Y88-F117 HydrophobicContact CD1-CE2 3.7Å; Y88-F117 AromaticContact CD1-CZ 3.23Å; Y88-F117 HydrophobicContact CD1-CZ 3.23Å; Y88-F117 HydrophobicContact CD2-CE2 4.23Å; Y88-F117 HydrophobicContact CE1-CE1 4.23Å; Y88-F117 HydrophobicContact CE1-CE2 4.27Å; Y88-F117 AromaticContact CE1-CZ 3.71Å; Y88-F117 HydrophobicContact CE1-CZ 3.71Å; Y88-F117 AromaticContact CG-CE2 3.66Å; Y88-F117 HydrophobicContact CG-CE2 3.66Å; Y88-F117 AromaticContact CG-CZ 3.71Å; Y88-F117 HydrophobicContact CG-CZ 3.71Å; I113-F117 HydrophobicContact CG2-CD2 4.01Å; I113-F117 WeakPolarHBondContact O-CD2 3.45Å; I113-F117 PolarHBondContact O-N 3.45Å; I113-F117 VanDerWaalsContact O-N 3.17Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.81Å; F117-V119 HydrophobicContact CB-CG2 4.06Å; F117-V119 PolarHBondContact O-N 2.73Å; F117-K122 PolarHBondContact O-NZ 2.66Å; F117-K122 VanDerWaalsContact O-NZ 3.1Å |
| 118 | D | 77.5 | Confident | 82.6 | Confident | 99 Ų | 99 | 33.3 Ų | 33.3 | 53% | 0.529 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.3 | -179.3 | -63.2 | -46.7 | 0 | 0 | 0 | 112.6 | L120 P121 K122 | D118-L120 VanDerWaalsContact C-N 3.35Å; D118-L120 PolarHBondContact O-N 3.42Å; D118-P121 HydrophobicContact CB-CB 4.39Å; D118-P121 HydrophobicContact CB-CG 4.09Å; D118-P121 WeakPolarHBondContact O-CD 3.5Å; D118-K122 WeakPolarHBondContact O-CG 3.41Å; D118-K122 PolarHBondContact O-N 2.94Å; D118-K122 VanDerWaalsContact O-N 3.12Å |
| 119 | V | 82.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | -176.9 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | F55 I56 L114 F117 K122 I123 | F55-V119 HydrophobicContact CD1-CG1 3.73Å; F55-V119 HydrophobicContact CE1-CG1 3.74Å; I56-V119 HydrophobicContact CD1-CG2 3.75Å; I56-V119 HydrophobicContact CG1-CG2 3.69Å; L114-V119 HydrophobicContact CD2-CB 3.56Å; L114-V119 HydrophobicContact CD2-CG1 3.41Å; L114-V119 VanDerWaalsContact CD2-CG1 3.41Å; L114-V119 HydrophobicContact CD2-CG2 4.19Å; L114-V119 PolarHBondContact O-N 3Å; L114-V119 VanDerWaalsContact O-N 3.11Å; F117-V119 HydrophobicContact CB-CG2 4.06Å; F117-V119 PolarHBondContact O-N 2.73Å; V119-K122 WeakPolarHBondContact O-CB 3.38Å; V119-K122 PolarHBondContact O-N 3.32Å; V119-I123 HydrophobicContact CG1-CD1 3.95Å; V119-I123 HydrophobicContact CG1-CG1 4.41Å; V119-I123 WeakPolarHBondContact O-CG1 3.39Å; V119-I123 PolarHBondContact O-N 3.02Å |
| 120 | L | 81.3 | Confident | 81 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 177.8 | -79.5 | 170.7 | 0 | 0 | 0 | 112.4 | F14 D118 K122 I123 E124 W230 W238 | F14-L120 HydrophobicContact CE2-CD2 4.1Å; D118-L120 VanDerWaalsContact C-N 3.35Å; D118-L120 PolarHBondContact O-N 3.42Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.43Å; L120-I123 WeakPolarHBondContact O-CB 3.39Å; L120-I123 PolarHBondContact O-N 3.47Å; L120-I123 VanDerWaalsContact O-N 3.09Å; L120-E124 WeakPolarHBondContact O-CG 3.19Å; L120-E124 PolarHBondContact O-N 3.09Å; L120-W230 HydrophobicContact CD1-CZ2 4.25Å; L120-W230 HydrophobicContact CD2-CZ2 4.37Å; L120-W238 HydrophobicContact CD1-CH2 3.8Å; L120-W238 HydrophobicContact CD1-CZ2 3.38Å |
| 121 | P | 77.5 | Confident | 79.8 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -52.9 | -40.1 | 170.4 | -29.7 | 34.3 | 0 | 0 | 0 | 114 | D118 E124 Q125 | D118-P121 HydrophobicContact CB-CB 4.39Å; D118-P121 HydrophobicContact CB-CG 4.09Å; D118-P121 WeakPolarHBondContact O-CD 3.5Å; P121-E124 PolarHBondContact O-N 3.37Å; P121-Q125 WeakPolarHBondContact O-CB 3.45Å; P121-Q125 PolarHBondContact O-N 3.46Å |
| 122 | K | 78.9 | Confident | 78.6 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 175.3 | -73.1 | 169.3 | -178.9 | 163.8 | 0 | 112.3 | F55 F117 D118 V119 L120 Q125 I126 | F55-K122 HydrophobicContact CE1-CB 4.4Å; F117-K122 PolarHBondContact O-NZ 2.66Å; F117-K122 VanDerWaalsContact O-NZ 3.1Å; D118-K122 WeakPolarHBondContact O-CG 3.41Å; D118-K122 PolarHBondContact O-N 2.94Å; D118-K122 VanDerWaalsContact O-N 3.12Å; V119-K122 WeakPolarHBondContact O-CB 3.38Å; V119-K122 PolarHBondContact O-N 3.32Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.43Å; K122-Q125 PolarHBondContact O-N 3.48Å; K122-I126 VanDerWaalsContact O-CG1 3.27Å; K122-I126 WeakPolarHBondContact O-CG1 3.43Å; K122-I126 PolarHBondContact O-N 2.95Å |
| 123 | I | 82.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 174.3 | -74.2 | 171.2 | 0 | 0 | 0 | 110.3 | L18 V21 F23 F55 V119 L120 Q125 I126 L127 | L18-I123 HydrophobicContact CD2-CD1 3.66Å; V21-I123 HydrophobicContact CG1-CG1 4.47Å; V21-I123 HydrophobicContact CG2-CB 4.29Å; V21-I123 HydrophobicContact CG2-CG1 4.16Å; V21-I123 HydrophobicContact CG2-CG2 3.77Å; F23-I123 HydrophobicContact CE2-CD1 4.32Å; F55-I123 HydrophobicContact CZ-CG1 4.35Å; V119-I123 HydrophobicContact CG1-CD1 3.95Å; V119-I123 HydrophobicContact CG1-CG1 4.41Å; V119-I123 WeakPolarHBondContact O-CG1 3.39Å; V119-I123 PolarHBondContact O-N 3.02Å; L120-I123 WeakPolarHBondContact O-CB 3.39Å; L120-I123 PolarHBondContact O-N 3.47Å; L120-I123 VanDerWaalsContact O-N 3.09Å; I123-Q125 VanDerWaalsContact C-N 3.29Å; I123-Q125 PolarHBondContact O-N 3.21Å; I123-I126 PolarHBondContact O-N 3.09Å; I123-L127 HydrophobicContact CG2-CD1 3.97Å; I123-L127 WeakPolarHBondContact O-CG 3.33Å; I123-L127 PolarHBondContact O-N 3.16Å |
| 124 | E | 79.5 | Confident | 76.3 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 176.8 | -66.7 | -178 | -175.4 | 0 | 0 | 111.7 | L120 P121 T128 L227 W230 | L120-E124 WeakPolarHBondContact O-CG 3.19Å; L120-E124 PolarHBondContact O-N 3.09Å; P121-E124 PolarHBondContact O-N 3.37Å; E124-T128 VanDerWaalsContact O-CB 3.26Å; E124-T128 WeakPolarHBondContact O-CB 3.27Å; E124-T128 PolarHBondContact O-N 3.19Å; E124-T128 PolarHBondContact O-OG1 2.82Å; E124-L227 HydrophobicContact CB-CD2 4.14Å; E124-L227 HydrophobicContact CG-CD2 3.79Å; E124-W230 PolarHBondContact OE1-NE1 3.43Å |
| 125 | Q | 77.7 | Confident | 74.9 | Confident | 138 Ų | 138 | 48.4 Ų | 48.4 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.3 | -41.4 | 175.4 | -173.4 | -177.9 | 4.4 | 0 | 0 | 112.4 | P121 K122 I123 S129 | P121-Q125 WeakPolarHBondContact O-CB 3.45Å; P121-Q125 PolarHBondContact O-N 3.46Å; K122-Q125 PolarHBondContact O-N 3.48Å; I123-Q125 VanDerWaalsContact C-N 3.29Å; I123-Q125 PolarHBondContact O-N 3.21Å; Q125-S129 WeakPolarHBondContact O-CB 3.31Å; Q125-S129 PolarHBondContact O-N 3.05Å; Q125-S129 PolarHBondContact O-OG 3.11Å |
| 126 | I | 79.9 | Confident | 73.3 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.8 | -71 | 164.3 | 0 | 0 | 0 | 110.3 | V21 F55 K122 I123 S129 T130 | V21-I126 HydrophobicContact CG1-CD1 3.92Å; V21-I126 HydrophobicContact CG1-CG2 4.38Å; V21-I126 HydrophobicContact CG2-CG2 4.36Å; F55-I126 HydrophobicContact CE2-CD1 4.07Å; F55-I126 HydrophobicContact CZ-CD1 3.75Å; K122-I126 VanDerWaalsContact O-CG1 3.27Å; K122-I126 WeakPolarHBondContact O-CG1 3.43Å; K122-I126 PolarHBondContact O-N 2.95Å; I123-I126 PolarHBondContact O-N 3.09Å; I126-S129 WeakPolarHBondContact CA-OG 3.39Å; I126-S129 PolarHBondContact O-OG 2.77Å; I126-T130 WeakPolarHBondContact O-CB 3.39Å; I126-T130 PolarHBondContact O-N 2.73Å; I126-T130 PolarHBondContact O-OG1 3.47Å |
| 127 | L | 80.4 | Confident | 71.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -43.2 | 179.8 | -66.6 | 174.5 | 0 | 0 | 0 | 111.8 | L17 S20 V21 I123 T130 A131 K223 L227 | L17-L127 HydrophobicContact CD2-CD1 3.65Å; S20-L127 WeakPolarHBondContact OG-CD1 3.43Å; S20-L127 WeakPolarHBondContact OG-CD2 3.44Å; V21-L127 HydrophobicContact CG2-CD1 4.44Å; V21-L127 HydrophobicContact CG2-CD2 4.1Å; V21-L127 HydrophobicContact CG2-CG 4.09Å; I123-L127 HydrophobicContact CG2-CD1 3.97Å; I123-L127 WeakPolarHBondContact O-CG 3.33Å; I123-L127 PolarHBondContact O-N 3.16Å; L127-T130 PolarHBondContact O-N 3.05Å; L127-A131 PolarHBondContact O-N 3.21Å; L127-K223 HydrophobicContact CD2-CB 4.13Å; L127-K223 HydrophobicContact CD2-CD 3.85Å; L127-K223 HydrophobicContact CD2-CG 3.88Å; L127-L227 HydrophobicContact CB-CD1 3.69Å; L127-L227 HydrophobicContact CB-CD2 4.26Å; L127-L227 HydrophobicContact CB-CG 4.1Å; L127-L227 HydrophobicContact CD1-CD2 3.8Å; L127-L227 HydrophobicContact CD1-CG 4.06Å |
| 128 | T | 73 | Confident | 69.4 | Low | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | E124 T130 A131 V132 M329 | E124-T128 VanDerWaalsContact O-CB 3.26Å; E124-T128 WeakPolarHBondContact O-CB 3.27Å; E124-T128 PolarHBondContact O-N 3.19Å; E124-T128 PolarHBondContact O-OG1 2.82Å; T128-T130 VanDerWaalsContact C-N 3.29Å; T128-T130 PolarHBondContact O-N 2.78Å; T128-A131 PolarHBondContact O-N 3.35Å; T128-A131 VanDerWaalsContact O-N 3.16Å; T128-V132 HydrophobicContact CG2-CG2 4.15Å; T128-V132 VanDerWaalsContact O-CG2 3.31Å; T128-V132 WeakPolarHBondContact O-CG2 3.22Å; T128-V132 PolarHBondContact O-N 3.1Å; T128-M329 HydrophobicContact CG2-SD 3.74Å |
| 129 | S | 72.5 | Confident | 67.4 | Low | 61 Ų | 61 | 61.8 Ų | 61.8 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | Q125 I126 A131 V132 R133 | Q125-S129 WeakPolarHBondContact O-CB 3.31Å; Q125-S129 PolarHBondContact O-N 3.05Å; Q125-S129 PolarHBondContact O-OG 3.11Å; I126-S129 WeakPolarHBondContact CA-OG 3.39Å; I126-S129 PolarHBondContact O-OG 2.77Å; S129-A131 VanDerWaalsContact C-N 3.34Å; S129-V132 PolarHBondContact O-N 3.3Å; S129-R133 VanDerWaalsContact O-CB 3.25Å; S129-R133 WeakPolarHBondContact O-CB 3.39Å; S129-R133 PolarHBondContact O-N 3.38Å |
| 130 | T | 72 | Confident | 64.8 | Low | 22 Ų | 22 | 68.5 Ų | 68.5 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | I126 L127 T128 | I126-T130 WeakPolarHBondContact O-CB 3.39Å; I126-T130 PolarHBondContact O-N 2.73Å; I126-T130 PolarHBondContact O-OG1 3.47Å; L127-T130 PolarHBondContact O-N 3.05Å; T128-T130 VanDerWaalsContact C-N 3.29Å; T128-T130 PolarHBondContact O-N 2.78Å |
| 131 | A | 65.8 | Low | 62.4 | Low | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.1 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L127 T128 S129 R133 M134 I135 L224 L321 | L127-A131 PolarHBondContact O-N 3.21Å; T128-A131 PolarHBondContact O-N 3.35Å; T128-A131 VanDerWaalsContact O-N 3.16Å; S129-A131 VanDerWaalsContact C-N 3.34Å; A131-R133 VanDerWaalsContact C-N 3.27Å; A131-R133 PolarHBondContact O-N 3.05Å; A131-M134 WeakPolarHBondContact O-CB 3.29Å; A131-M134 PolarHBondContact O-N 3.44Å; A131-I135 PolarHBondContact O-N 2.96Å; A131-L224 HydrophobicContact CB-CD1 3.71Å; A131-L224 HydrophobicContact CB-CD2 3.31Å; A131-L224 HydrophobicContact CB-CG 3.67Å; A131-L321 HydrophobicContact CB-CD1 4.02Å |
| 132 | V | 64.4 | Low | 60.1 | Low | 32 Ų | 32 | 80.2 Ų | 80.2 | 19% | 0.194 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 177 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | T128 S129 M134 I135 K136 T325 | T128-V132 HydrophobicContact CG2-CG2 4.15Å; T128-V132 VanDerWaalsContact O-CG2 3.31Å; T128-V132 WeakPolarHBondContact O-CG2 3.22Å; T128-V132 PolarHBondContact O-N 3.1Å; S129-V132 PolarHBondContact O-N 3.3Å; V132-M134 PolarHBondContact O-N 3.33Å; V132-I135 CarbonylContact O-C 3.57Å; V132-I135 PolarHBondContact O-N 3.28Å; V132-K136 HydrophobicContact CG1-CB 4.18Å; V132-K136 HydrophobicContact CG1-CD 3.75Å; V132-K136 HydrophobicContact CG1-CG 3.97Å; V132-K136 WeakPolarHBondContact O-CA 3.32Å; V132-K136 WeakPolarHBondContact O-CB 3.31Å; V132-K136 PolarHBondContact O-N 2.96Å; V132-T325 HydrophobicContact CG2-CG2 3.71Å |
| 133 | R | 63.1 | Low | 57.7 | Low | 166 Ų | 166 | 82.8 Ų | 82.8 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.5 | -34.8 | 175.4 | -176.6 | 175 | 63.4 | -162.3 | -1.7 | 112.3 | S129 A131 | S129-R133 VanDerWaalsContact O-CB 3.25Å; S129-R133 WeakPolarHBondContact O-CB 3.39Å; S129-R133 PolarHBondContact O-N 3.38Å; A131-R133 VanDerWaalsContact C-N 3.27Å; A131-R133 PolarHBondContact O-N 3.05Å |
| 134 | M | 62.1 | Low | 55.1 | Low | 33 Ų | 33 | 90.6 Ų | 90.6 | 16% | 0.163 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -74.9 | -25.1 | 176.1 | -64.7 | -63.8 | 175.3 | 0 | 0 | 112.9 | A131 V132 N216 L321 | A131-M134 WeakPolarHBondContact O-CB 3.29Å; A131-M134 PolarHBondContact O-N 3.44Å; V132-M134 PolarHBondContact O-N 3.33Å; M134-N216 HydrophobicContact CE-CB 3.76Å; M134-L321 HydrophobicContact CB-CD2 3.78Å |
| 135 | I | 57.6 | Low | 52.9 | Low | 34 Ų | 34 | 93.6 Ų | 93.6 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -87 | -41.2 | 176.2 | -67.6 | 160.2 | 0 | 0 | 0 | 111.8 | A131 V132 E137 L321 L322 T325 | A131-I135 PolarHBondContact O-N 2.96Å; V132-I135 CarbonylContact O-C 3.57Å; V132-I135 PolarHBondContact O-N 3.28Å; I135-E137 PolarHBondContact O-N 2.88Å; I135-L321 HydrophobicContact CD1-CD2 4.19Å; I135-L321 HydrophobicContact CD1-CG 3.83Å; I135-L321 HydrophobicContact CG1-CD2 3.6Å; I135-L321 HydrophobicContact CG1-CG 3.79Å; I135-L322 HydrophobicContact CD1-CD2 4.48Å; I135-L322 HydrophobicContact CG1-CD2 4.25Å; I135-L322 HydrophobicContact CG2-CD2 3.51Å; I135-T325 HydrophobicContact CD1-CG2 3.62Å; I135-T325 WeakPolarHBondContact CD1-OG1 3.22Å |
| 136 | K | 49.6 | Very low | 50.7 | Low | 120 Ų | 120 | 93.6 Ų | 93.6 | 52% | 0.522 | 46% | 0.463 | S | S | . | . | trans | -101.5 | 45.7 | -171.6 | -70.2 | -166.1 | -177.7 | 179.5 | 0 | 112.7 | V132 K138 | V132-K136 HydrophobicContact CG1-CB 4.18Å; V132-K136 HydrophobicContact CG1-CD 3.75Å; V132-K136 HydrophobicContact CG1-CG 3.97Å; V132-K136 WeakPolarHBondContact O-CA 3.32Å; V132-K136 WeakPolarHBondContact O-CB 3.31Å; V132-K136 PolarHBondContact O-N 2.96Å; K136-K138 CarbonylContact C-O 3.59Å; K136-K138 WeakPolarHBondContact CB-O 3.46Å; K136-K138 CarbonylContact O-C 3.56Å; K136-K138 VanDerWaalsContact O-C 3.28Å; K136-K138 PolarHBondContact O-N 3.37Å; K136-K138 VanDerWaalsContact O-N 3.13Å; K136-K138 VanDerWaalsContact O-O 3.1Å | ||
| 137 | E | 46.1 | Very low | 48.2 | Very low | 110 Ų | 110 | 99.6 Ų | 99.6 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | trans | -60.5 | -5.5 | 146.2 | -75.7 | -173.3 | 157 | 0 | 0 | 111.8 | I135 S199 | I135-E137 PolarHBondContact O-N 2.88Å; E137-S199 WeakPolarHBondContact OE2-CB 3.48Å; E137-S199 PolarHBondContact OE2-OG 3.02Å | ||
| 138 | K | 32.4 | Very low | 45.7 | Very low | 172 Ų | 172 | 105.9 Ų | 105.9 | 75% | 0.748 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -76.6 | 107.1 | 148.2 | -74.7 | -176.7 | 177.7 | 179 | 0 | 111.3 | K136 | K136-K138 CarbonylContact C-O 3.59Å; K136-K138 WeakPolarHBondContact CB-O 3.46Å; K136-K138 CarbonylContact O-C 3.56Å; K136-K138 VanDerWaalsContact O-C 3.28Å; K136-K138 PolarHBondContact O-N 3.37Å; K136-K138 VanDerWaalsContact O-N 3.13Å; K136-K138 VanDerWaalsContact O-O 3.1Å |
| 139 | V | 36.3 | Very low | 43.6 | Very low | 109 Ų | 109 | 111 Ų | 111 | 66% | 0.661 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 49.4 | 97.4 | 148.1 | -172.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 140 | F | 28.3 | Very low | 41.7 | Very low | 141 Ų | 141 | 114.1 Ų | 114.1 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | trans | 166.3 | 89.2 | 138.2 | -87.8 | -67.5 | 0 | 0 | 0 | 109.2 | Q142 | F140-Q142 HydrophobicContact CD1-CB 4.11Å; F140-Q142 HydrophobicContact CD1-CG 3.86Å; F140-Q142 HydrophobicContact CE1-CG 4.44Å; F140-Q142 PolarHBondContact O-N 3.04Å | ||
| 141 | H | 31.7 | Very low | 39.9 | Very low | 194 Ų | 194 | 118 Ų | 118 | 90% | 0.898 | 60% | 0.603 | S | S | * | * | trans | -78.5 | 78.9 | 147.2 | -75.6 | -63.1 | 0 | 0 | 0 | 107 | ||||
| 142 | Q | 28 | Very low | 38.4 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | trans | -129.4 | 118.3 | 165.3 | -76.2 | -172.6 | 5 | 0 | 0 | 108.8 | F140 | F140-Q142 HydrophobicContact CD1-CB 4.11Å; F140-Q142 HydrophobicContact CD1-CG 3.86Å; F140-Q142 HydrophobicContact CE1-CG 4.44Å; F140-Q142 PolarHBondContact O-N 3.04Å | ||
| 143 | N | 28.3 | Very low | 37.3 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | trans | 79.2 | 67.7 | 157.6 | -46.8 | -20.4 | 0 | 0 | 0 | 116 | ||||
| 144 | E | 28.3 | Very low | 36.3 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | -60.7 | 125.5 | 129.6 | -86.2 | -176.5 | 163.6 | 0 | 0 | 107.2 | I146 | E144-I146 HydrophobicContact CB-CG1 4.22Å; E144-I146 PolarHBondContact O-N 2.71Å | |||
| 145 | P | 32.5 | Very low | 35.5 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -71.7 | 85.1 | 167.4 | 30 | -29.8 | 0 | 0 | 0 | 107.6 | F147 | P145-F147 PolarHBondContact O-N 2.79Š| ||
| 146 | I | 31.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -74 | 75 | 161.5 | -53.2 | 174.5 | 0 | 0 | 0 | 106.4 | E144 | E144-I146 HydrophobicContact CB-CG1 4.22Å; E144-I146 PolarHBondContact O-N 2.71Å | ||
| 147 | F | 28.2 | Very low | 36.6 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 80% | 0.798 | 72% | 0.716 | S | S | * | * | trans | -139.7 | 75.7 | 170.2 | -83.5 | -72.3 | 0 | 0 | 0 | 109.7 | P145 | P145-F147 PolarHBondContact O-N 2.79Š| ||
| 148 | T | 28.7 | Very low | 37.5 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -178.1 | 103.4 | 150.4 | 42.2 | 0 | 0 | 0 | 0 | 104.2 | ||
| 149 | T | 28.9 | Very low | 38.8 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | cis | -164.3 | 117.4 | 43.5 | -24.6 | 0 | 0 | 0 | 0 | 104.4 | P151 | T149-P151 WeakPolarHBondContact O-CD 3.35Š| ||
| 150 | C | 31.8 | Very low | 40.4 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -65.4 | 117.4 | 169.3 | -74.6 | 0 | 0 | 0 | 0 | 108.1 | G152 | C150-G152 PolarHBondContact O-N 2.81Å; C150-G152 VanDerWaalsContact O-N 3.14Å | ||
| 151 | P | 33.5 | Very low | 42.5 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | trans | -69.3 | 113.7 | 160.9 | -3.4 | 21.8 | 0 | 0 | 0 | 105.6 | T149 S153 | T149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-S153 VanDerWaalsContact C-N 3.34Å; P151-S153 PolarHBondContact O-N 3.18Å | ||
| 152 | G | 34.5 | Very low | 44.6 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | trans | -57.7 | 100.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | C150 | C150-G152 PolarHBondContact O-N 2.81Å; C150-G152 VanDerWaalsContact O-N 3.14Å | ||
| 153 | S | 42.2 | Very low | 46.8 | Very low | 84 Ų | 84 | 121.1 Ų | 121.1 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -168.9 | 99.4 | 159.4 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | P151 M155 | P151-S153 VanDerWaalsContact C-N 3.34Å; P151-S153 PolarHBondContact O-N 3.18Å; S153-M155 PolarHBondContact O-N 3.3Å |
| 154 | N | 41.1 | Very low | 49.2 | Very low | 170 Ų | 170 | 119.1 Ų | 119.1 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | trans | 27.2 | 62.2 | 153.4 | -62.2 | -13.7 | 0 | 0 | 0 | 116.6 | S156 | N154-S156 PolarHBondContact O-N 3.49Š| ||
| 155 | M | 46.4 | Very low | 51.6 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | trans | -65.5 | 110.6 | 165.6 | -79.2 | -157.5 | -177.4 | 0 | 0 | 107.8 | S153 | S153-M155 PolarHBondContact O-N 3.3Š| ||
| 156 | S | 59.5 | Low | 53.6 | Low | 68 Ų | 68 | 113.6 Ų | 113.6 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | trans | -60 | 144 | 175.4 | 65.8 | 0 | 0 | 0 | 0 | 110 | N154 S158 R159 L160 | N154-S156 PolarHBondContact O-N 3.49Å; S156-S158 PolarHBondContact O-N 2.83Å; S156-R159 WeakPolarHBondContact O-CB 3.43Å; S156-R159 PolarHBondContact O-N 3.41Å; S156-L160 PolarHBondContact O-N 2.89Å | ||
| 157 | I | 71.1 | Confident | 55.6 | Low | 130 Ų | 130 | 112 Ų | 112 | 67% | 0.667 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -48.2 | -36.6 | 175.7 | -66.6 | 169.9 | 0 | 0 | 0 | 111 | R159 L160 I161 | I157-R159 VanDerWaalsContact C-N 3.28Å; I157-R159 PolarHBondContact O-N 2.87Å; I157-L160 PolarHBondContact O-N 3.02Å; I157-I161 HydrophobicContact CG2-CD1 3.84Å; I157-I161 HydrophobicContact CG2-CG1 4.32Å; I157-I161 WeakPolarHBondContact O-CG1 3.27Å; I157-I161 PolarHBondContact O-N 3.36Å |
| 158 | S | 64.9 | Low | 57.9 | Low | 88 Ų | 88 | 111.9 Ų | 111.9 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.2 | -37 | 175.6 | -46.3 | 0 | 0 | 0 | 0 | 113.5 | S156 W162 | S156-S158 PolarHBondContact O-N 2.83Å; S158-W162 WeakPolarHBondContact O-CB 3.36Å; S158-W162 PolarHBondContact O-N 3.18Å |
| 159 | R | 60.1 | Low | 60.1 | Low | 152 Ų | 152 | 110.4 Ų | 110.4 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.7 | -34.4 | 179 | -168.3 | 156.3 | -179 | 161.4 | -3.2 | 112.3 | S156 I157 W162 L163 | S156-R159 WeakPolarHBondContact O-CB 3.43Å; S156-R159 PolarHBondContact O-N 3.41Å; I157-R159 VanDerWaalsContact C-N 3.28Å; I157-R159 PolarHBondContact O-N 2.87Å; R159-W162 PolarHBondContact O-N 3.34Å; R159-L163 WeakPolarHBondContact O-CG 3.42Å; R159-L163 PolarHBondContact O-N 3.26Å |
| 160 | L | 68.6 | Low | 62 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.2 | -44.4 | 170.3 | -75.7 | 167 | 0 | 0 | 0 | 111.2 | S156 I157 W162 L163 L164 | S156-L160 PolarHBondContact O-N 2.89Å; I157-L160 PolarHBondContact O-N 3.02Å; L160-W162 VanDerWaalsContact C-N 3.28Å; L160-W162 PolarHBondContact O-N 3.35Å; L160-L163 PolarHBondContact O-N 3Å; L160-L164 WeakPolarHBondContact O-CB 3.27Å; L160-L164 PolarHBondContact O-N 3.49Å |
| 161 | I | 73.5 | Confident | 63.8 | Low | 110 Ų | 110 | 107.8 Ų | 107.8 | 56% | 0.564 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.8 | -42.7 | 174 | -67.6 | 169.3 | 0 | 0 | 0 | 110.5 | I157 L164 G165 | I157-I161 HydrophobicContact CG2-CD1 3.84Å; I157-I161 HydrophobicContact CG2-CG1 4.32Å; I157-I161 WeakPolarHBondContact O-CG1 3.27Å; I157-I161 PolarHBondContact O-N 3.36Å; I161-L164 WeakPolarHBondContact O-CB 3.37Å; I161-L164 PolarHBondContact O-N 2.97Å; I161-G165 PolarHBondContact O-N 3.43Å |
| 162 | W | 75.4 | Confident | 65.7 | Low | 143 Ų | 143 | 109.1 Ų | 109.1 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -45 | 176.5 | -177.2 | 84.9 | 0 | 0 | 0 | 112.6 | S158 R159 L160 L164 G165 R166 | S158-W162 WeakPolarHBondContact O-CB 3.36Å; S158-W162 PolarHBondContact O-N 3.18Å; R159-W162 PolarHBondContact O-N 3.34Å; L160-W162 VanDerWaalsContact C-N 3.28Å; L160-W162 PolarHBondContact O-N 3.35Å; W162-L164 PolarHBondContact O-N 3.44Å; W162-G165 PolarHBondContact O-N 3.4Å; W162-R166 WeakPolarHBondContact O-CB 3.46Å; W162-R166 PolarHBondContact O-N 3.04Å |
| 163 | L | 73.6 | Confident | 67.3 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 39% | 0.387 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.5 | -73.6 | 170.5 | 0 | 0 | 0 | 111.8 | R159 L160 G165 R166 L167 | R159-L163 WeakPolarHBondContact O-CG 3.42Å; R159-L163 PolarHBondContact O-N 3.26Å; L160-L163 PolarHBondContact O-N 3Å; L163-G165 PolarHBondContact O-N 3.48Å; L163-R166 PolarHBondContact O-N 2.97Å; L163-L167 WeakPolarHBondContact O-CB 3.28Å; L163-L167 PolarHBondContact O-N 2.79Å |
| 164 | L | 78.5 | Confident | 68.5 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 172.8 | -98.9 | 148.1 | 0 | 0 | 0 | 112 | L160 I161 W162 L167 R168 | L160-L164 WeakPolarHBondContact O-CB 3.27Å; L160-L164 PolarHBondContact O-N 3.49Å; I161-L164 WeakPolarHBondContact O-CB 3.37Å; I161-L164 PolarHBondContact O-N 2.97Å; W162-L164 PolarHBondContact O-N 3.44Å; L164-L167 PolarHBondContact O-N 3.39Å; L164-R168 WeakPolarHBondContact O-CG 3Å; L164-R168 PolarHBondContact O-N 2.88Å |
| 165 | G | 78.2 | Confident | 69.9 | Low | 32 Ų | 32 | 107.4 Ų | 107.4 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I161 W162 L163 L167 R168 I169 | I161-G165 PolarHBondContact O-N 3.43Å; W162-G165 PolarHBondContact O-N 3.4Å; L163-G165 PolarHBondContact O-N 3.48Å; G165-L167 VanDerWaalsContact C-N 3.34Å; G165-L167 PolarHBondContact O-N 2.81Å; G165-R168 WeakPolarHBondContact O-CB 3.44Å; G165-R168 PolarHBondContact O-N 2.99Å; G165-I169 WeakPolarHBondContact O-CG1 3.29Å; G165-I169 PolarHBondContact O-N 3.2Å; G165-I169 VanDerWaalsContact O-N 3.09Å |
| 166 | R | 75.4 | Confident | 70.9 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.8 | -170.6 | 175.3 | 174.8 | -178.7 | 1.3 | 111.7 | W162 L163 R168 I169 H170 | W162-R166 WeakPolarHBondContact O-CB 3.46Å; W162-R166 PolarHBondContact O-N 3.04Å; L163-R166 PolarHBondContact O-N 2.97Å; R166-R168 VanDerWaalsContact C-N 3.35Å; R166-R168 PolarHBondContact O-N 2.77Å; R166-I169 PolarHBondContact O-N 3.22Å; R166-H170 PolarHBondContact O-CD2 3.49Å; R166-H170 PolarHBondContact O-N 3.37Å |
| 167 | L | 73.6 | Confident | 71.3 | Confident | 106 Ų | 106 | 108.4 Ų | 108.4 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 177.4 | -165.4 | 135.3 | 0 | 0 | 0 | 111.9 | L163 L164 G165 I169 H170 L171 | L163-L167 WeakPolarHBondContact O-CB 3.28Å; L163-L167 PolarHBondContact O-N 2.79Å; L164-L167 PolarHBondContact O-N 3.39Å; G165-L167 VanDerWaalsContact C-N 3.34Å; G165-L167 PolarHBondContact O-N 2.81Å; L167-I169 PolarHBondContact O-N 2.92Å; L167-H170 PolarHBondContact O-N 2.64Å; L167-L171 HydrophobicContact CD2-CD1 3.74Å; L167-L171 HydrophobicContact CD2-CG 4.39Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.25Å |
| 168 | R | 77.6 | Confident | 70.9 | Confident | 178 Ų | 178 | 110.8 Ų | 110.8 | 67% | 0.672 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 172.7 | -73.6 | 176.8 | 179.2 | -178.5 | 0.7 | 112.9 | L164 G165 R166 L171 K172 | L164-R168 WeakPolarHBondContact O-CG 3Å; L164-R168 PolarHBondContact O-N 2.88Å; G165-R168 WeakPolarHBondContact O-CB 3.44Å; G165-R168 PolarHBondContact O-N 2.99Å; R166-R168 VanDerWaalsContact C-N 3.35Å; R166-R168 PolarHBondContact O-N 2.77Å; R168-L171 PolarHBondContact O-N 2.94Å; R168-K172 PolarHBondContact O-N 3.41Å |
| 169 | I | 74.7 | Confident | 70.9 | Confident | 103 Ų | 103 | 108.1 Ų | 108.1 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.4 | -66.5 | 167.6 | 0 | 0 | 0 | 110.3 | G165 R166 L167 L171 K172 N173 | G165-I169 WeakPolarHBondContact O-CG1 3.29Å; G165-I169 PolarHBondContact O-N 3.2Å; G165-I169 VanDerWaalsContact O-N 3.09Å; R166-I169 PolarHBondContact O-N 3.22Å; L167-I169 PolarHBondContact O-N 2.92Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.19Å; I169-K172 PolarHBondContact O-N 3.2Å; I169-K172 VanDerWaalsContact O-N 3.17Å; I169-N173 PolarHBondContact O-N 3.2Å |
| 170 | H | 67.3 | Low | 71.2 | Confident | 97 Ų | 97 | 105.4 Ų | 105.4 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 177 | -72.6 | -63.9 | 0 | 0 | 0 | 112.2 | R166 L167 K172 N173 L174 | R166-H170 PolarHBondContact O-CD2 3.49Å; R166-H170 PolarHBondContact O-N 3.37Å; L167-H170 PolarHBondContact O-N 2.64Å; H170-K172 PolarHBondContact O-N 3.03Å; H170-N173 PolarHBondContact O-N 3.11Å; H170-L174 WeakPolarHBondContact O-CG 3.43Å; H170-L174 PolarHBondContact O-N 3.45Å |
| 171 | L | 70.9 | Confident | 70.7 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 173.5 | -77.6 | 168.2 | 0 | 0 | 0 | 112.5 | L167 R168 I169 L174 Y175 | L167-L171 HydrophobicContact CD2-CD1 3.74Å; L167-L171 HydrophobicContact CD2-CG 4.39Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.25Å; R168-L171 PolarHBondContact O-N 2.94Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.19Å; L171-L174 PolarHBondContact O-N 3Å; L171-Y175 PolarHBondContact O-N 3.26Å |
| 172 | K | 72.4 | Confident | 69.9 | Low | 131 Ų | 131 | 102 Ų | 102 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 176.4 | -170.7 | -179.8 | 177.1 | -176.3 | 0 | 111.5 | R168 I169 H170 Y175 H176 | R168-K172 PolarHBondContact O-N 3.41Å; I169-K172 PolarHBondContact O-N 3.2Å; I169-K172 VanDerWaalsContact O-N 3.17Å; H170-K172 PolarHBondContact O-N 3.03Å; K172-Y175 WeakPolarHBondContact O-CB 3.48Å; K172-Y175 PolarHBondContact O-N 3.38Å; K172-H176 VanDerWaalsContact CE-NE2 3.31Å; K172-H176 WeakPolarHBondContact CE-NE2 3.44Å; K172-H176 PolarHBondContact O-CD2 2.88Å; K172-H176 PolarHBondContact O-N 2.88Å |
| 173 | N | 68.4 | Low | 69.3 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.9 | -70.5 | -6.4 | 0 | 0 | 0 | 111.7 | I169 H170 Y175 H176 L177 | I169-N173 PolarHBondContact O-N 3.2Å; H170-N173 PolarHBondContact O-N 3.11Å; N173-Y175 VanDerWaalsContact C-N 3.31Å; N173-Y175 PolarHBondContact O-N 3.46Å; N173-H176 PolarHBondContact O-N 3.31Å; N173-L177 WeakPolarHBondContact O-CB 3.09Å; N173-L177 PolarHBondContact O-N 3.5Å |
| 174 | L | 67.3 | Low | 68.6 | Low | 99 Ų | 99 | 103 Ų | 103 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 174.4 | -76.9 | 165.9 | 0 | 0 | 0 | 112.1 | H170 L171 L177 R178 | H170-L174 WeakPolarHBondContact O-CG 3.43Å; H170-L174 PolarHBondContact O-N 3.45Å; L171-L174 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 3.47Å; L174-R178 WeakPolarHBondContact O-CB 3.39Å; L174-R178 PolarHBondContact O-N 3.49Å |
| 175 | Y | 69.9 | Low | 67.5 | Low | 114 Ų | 114 | 99.7 Ų | 99.7 | 45% | 0.447 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.1 | -174.2 | -92.3 | 0 | 0 | 0 | 112.2 | L171 K172 N173 R178 G179 | L171-Y175 PolarHBondContact O-N 3.26Å; K172-Y175 WeakPolarHBondContact O-CB 3.48Å; K172-Y175 PolarHBondContact O-N 3.38Å; N173-Y175 VanDerWaalsContact C-N 3.31Å; N173-Y175 PolarHBondContact O-N 3.46Å; Y175-R178 PolarHBondContact O-N 3.21Å; Y175-G179 PolarHBondContact O-N 2.99Å |
| 176 | H | 68.5 | Low | 66.6 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.3 | -75.4 | -60.3 | 0 | 0 | 0 | 112.3 | K172 N173 R178 G179 E180 | K172-H176 VanDerWaalsContact CE-NE2 3.31Å; K172-H176 WeakPolarHBondContact CE-NE2 3.44Å; K172-H176 PolarHBondContact O-CD2 2.88Å; K172-H176 PolarHBondContact O-N 2.88Å; N173-H176 PolarHBondContact O-N 3.31Å; H176-R178 VanDerWaalsContact C-N 3.29Å; H176-R178 PolarHBondContact O-N 2.87Å; H176-G179 PolarHBondContact O-N 3.32Å; H176-G179 VanDerWaalsContact O-N 3.09Å; H176-E180 PolarHBondContact O-N 3.27Å |
| 177 | L | 68.1 | Low | 66 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.8 | -44.1 | 177.1 | -156.8 | 82.8 | 0 | 0 | 0 | 110.8 | N173 L174 G179 E180 T181 | N173-L177 WeakPolarHBondContact O-CB 3.09Å; N173-L177 PolarHBondContact O-N 3.5Å; L174-L177 PolarHBondContact O-N 3.47Å; L177-G179 PolarHBondContact O-N 3.19Å; L177-E180 WeakPolarHBondContact O-CB 3.37Å; L177-E180 PolarHBondContact O-N 3.33Å; L177-E180 VanDerWaalsContact O-N 3.13Å; L177-T181 PolarHBondContact O-N 2.99Å; L177-T181 PolarHBondContact O-OG1 3.06Å |
| 178 | R | 62.1 | Low | 65.1 | Low | 179 Ų | 179 | 103.7 Ų | 103.7 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60 | -43 | 175 | -176.2 | -178.5 | 178.7 | -172.3 | -0.4 | 112.5 | L174 Y175 H176 E180 T181 M182 | L174-R178 WeakPolarHBondContact O-CB 3.39Å; L174-R178 PolarHBondContact O-N 3.49Å; Y175-R178 PolarHBondContact O-N 3.21Å; H176-R178 VanDerWaalsContact C-N 3.29Å; H176-R178 PolarHBondContact O-N 2.87Å; R178-E180 VanDerWaalsContact C-N 3.28Å; R178-E180 PolarHBondContact O-N 3.03Å; R178-T181 PolarHBondContact O-N 2.99Å; R178-M182 PolarHBondContact O-N 3.06Å |
| 179 | G | 65.6 | Low | 64.2 | Low | 32 Ų | 32 | 100.2 Ų | 100.2 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -30.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y175 H176 L177 R183 | Y175-G179 PolarHBondContact O-N 2.99Å; H176-G179 PolarHBondContact O-N 3.32Å; H176-G179 VanDerWaalsContact O-N 3.09Å; L177-G179 PolarHBondContact O-N 3.19Å; G179-R183 WeakPolarHBondContact O-CB 3.37Å; G179-R183 WeakPolarHBondContact O-CG 3.43Å; G179-R183 PolarHBondContact O-N 3.04Å; G179-R183 PolarHBondContact O-NE 3.37Å |
| 180 | E | 65 | Low | 62.8 | Low | 95 Ų | 95 | 100.7 Ų | 100.7 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.1 | -47 | 171.5 | -74.7 | 172.9 | 177.4 | 0 | 0 | 112 | H176 L177 R178 M182 R183 Q184 | H176-E180 PolarHBondContact O-N 3.27Å; L177-E180 WeakPolarHBondContact O-CB 3.37Å; L177-E180 PolarHBondContact O-N 3.33Å; L177-E180 VanDerWaalsContact O-N 3.13Å; R178-E180 VanDerWaalsContact C-N 3.28Å; R178-E180 PolarHBondContact O-N 3.03Å; E180-M182 VanDerWaalsContact C-N 3.31Å; E180-M182 PolarHBondContact O-N 3.36Å; E180-R183 VanDerWaalsContact CG-NH2 3.34Å; E180-R183 PolarHBondContact O-N 3.34Å; E180-R183 VanDerWaalsContact O-N 3.14Å; E180-Q184 WeakPolarHBondContact O-CG 3.37Å; E180-Q184 PolarHBondContact O-N 3.38Å |
| 181 | T | 57.8 | Low | 61.9 | Low | 39 Ų | 39 | 104.8 Ų | 104.8 | 24% | 0.239 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -56.5 | -44.1 | 175.4 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | L177 R178 Q184 F185 W202 | L177-T181 PolarHBondContact O-N 2.99Å; L177-T181 PolarHBondContact O-OG1 3.06Å; R178-T181 PolarHBondContact O-N 2.99Å; T181-Q184 WeakPolarHBondContact O-CB 3.42Å; T181-Q184 PolarHBondContact O-N 3.19Å; T181-F185 PolarHBondContact O-N 3.04Å; T181-W202 HydrophobicContact CG2-CB 4.13Å |
| 182 | M | 58.1 | Low | 60.6 | Low | 91 Ų | 91 | 107.8 Ų | 107.8 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 177.7 | -169 | 66.2 | -174.7 | 0 | 0 | 112.3 | R178 E180 Q184 F185 L186 | R178-M182 PolarHBondContact O-N 3.06Å; E180-M182 VanDerWaalsContact C-N 3.31Å; E180-M182 PolarHBondContact O-N 3.36Å; M182-Q184 VanDerWaalsContact C-N 3.31Å; M182-Q184 PolarHBondContact O-N 3.39Å; M182-F185 HydrophobicContact CE-CD1 4.14Å; M182-F185 WeakPolarHBondContact O-CB 3.48Å; M182-F185 PolarHBondContact O-N 3.5Å; M182-F185 HydrophobicContact SD-CD1 4.19Å; M182-L186 WeakPolarHBondContact O-CG 3.24Å; M182-L186 PolarHBondContact O-N 3.16Å |
| 183 | R | 61.6 | Low | 59.4 | Low | 152 Ų | 152 | 102 Ų | 102 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -35.2 | 174.4 | -79.4 | -176.5 | -70 | 174.3 | 1.3 | 112.1 | G179 E180 K187 | G179-R183 WeakPolarHBondContact O-CB 3.37Å; G179-R183 WeakPolarHBondContact O-CG 3.43Å; G179-R183 PolarHBondContact O-N 3.04Å; G179-R183 PolarHBondContact O-NE 3.37Å; E180-R183 VanDerWaalsContact CG-NH2 3.34Å; E180-R183 PolarHBondContact O-N 3.34Å; E180-R183 VanDerWaalsContact O-N 3.14Å; R183-K187 WeakPolarHBondContact O-CG 3.45Å; R183-K187 PolarHBondContact O-N 2.79Å |
| 184 | Q | 59.4 | Low | 58.5 | Low | 87 Ų | 87 | 107.3 Ų | 107.3 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 173 | -73.6 | 176.9 | -11.3 | 0 | 0 | 111.6 | E180 T181 M182 L186 K187 F188 L205 | E180-Q184 WeakPolarHBondContact O-CG 3.37Å; E180-Q184 PolarHBondContact O-N 3.38Å; T181-Q184 WeakPolarHBondContact O-CB 3.42Å; T181-Q184 PolarHBondContact O-N 3.19Å; M182-Q184 VanDerWaalsContact C-N 3.31Å; M182-Q184 PolarHBondContact O-N 3.39Å; Q184-L186 VanDerWaalsContact C-N 3.34Å; Q184-L186 PolarHBondContact O-N 3.21Å; Q184-K187 PolarHBondContact O-N 3.34Å; Q184-K187 VanDerWaalsContact O-N 3.09Å; Q184-F188 PolarHBondContact O-N 2.88Å; Q184-L205 HydrophobicContact CB-CD1 4Å; Q184-L205 HydrophobicContact CG-CD1 4.26Å |
| 185 | F | 54.7 | Low | 57.8 | Low | 30 Ų | 30 | 105.7 Ų | 105.7 | 13% | 0.132 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 173.4 | 174.8 | -99.7 | 0 | 0 | 0 | 112.2 | T181 M182 K187 F188 M190 P198 C201 | T181-F185 PolarHBondContact O-N 3.04Å; M182-F185 HydrophobicContact CE-CD1 4.14Å; M182-F185 WeakPolarHBondContact O-CB 3.48Å; M182-F185 PolarHBondContact O-N 3.5Å; M182-F185 HydrophobicContact SD-CD1 4.19Å; F185-K187 PolarHBondContact O-N 2.78Å; F185-F188 VanDerWaalsContact O-CB 3.26Å; F185-F188 WeakPolarHBondContact O-CB 3.28Å; F185-F188 PolarHBondContact O-N 3.4Å; F185-F188 VanDerWaalsContact O-N 3.07Å; F185-M190 HydrophobicContact CE1-CE 3.95Å; F185-M190 HydrophobicContact CE2-CE 4.24Å; F185-M190 HydrophobicContact CZ-CE 3.43Å; F185-M190 VanDerWaalsContact CZ-CE 3.43Å; F185-P198 HydrophobicContact CD2-CB 3.96Å; F185-P198 HydrophobicContact CD2-CG 4.5Å; F185-P198 HydrophobicContact CE1-CG 4.39Å; F185-P198 HydrophobicContact CE2-CB 4.07Å; F185-P198 HydrophobicContact CE2-CG 4.13Å; F185-P198 HydrophobicContact CG-CB 4.19Å; F185-P198 HydrophobicContact CZ-CB 4.4Å; F185-P198 HydrophobicContact CZ-CG 4.07Å; F185-C201 HydrophobicContact CD2-CB 3.61Å; F185-C201 WeakPolarHBondContact CD2-SG 3.45Å; F185-C201 HydrophobicContact CE2-CB 4.24Å; F185-C201 WeakPolarHBondContact CE2-SG 3.48Å |
| 186 | L | 60.4 | Low | 56.9 | Low | 125 Ų | 125 | 100.9 Ų | 100.9 | 65% | 0.654 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.4 | -21.6 | 178.1 | -69.1 | 171.7 | 0 | 0 | 0 | 113.9 | M182 Q184 | M182-L186 WeakPolarHBondContact O-CG 3.24Å; M182-L186 PolarHBondContact O-N 3.16Å; Q184-L186 VanDerWaalsContact C-N 3.34Å; Q184-L186 PolarHBondContact O-N 3.21Å |
| 187 | K | 62.1 | Low | 56.2 | Low | 177 Ų | 177 | 98.2 Ų | 98.2 | 77% | 0.77 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.6 | -11.3 | 174.7 | -72 | 177 | -179.6 | -173.2 | 0 | 112.9 | R183 Q184 F185 | R183-K187 WeakPolarHBondContact O-CG 3.45Å; R183-K187 PolarHBondContact O-N 2.79Å; Q184-K187 PolarHBondContact O-N 3.34Å; Q184-K187 VanDerWaalsContact O-N 3.09Å; F185-K187 PolarHBondContact O-N 2.78Å |
| 188 | F | 55.9 | Low | 55.6 | Low | 51 Ų | 51 | 96 Ų | 96 | 22% | 0.224 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -72 | 127.9 | -179.4 | -142.4 | -89.2 | 0 | 0 | 0 | 109.1 | Q184 F185 M190 L204 L205 | Q184-F188 PolarHBondContact O-N 2.88Å; F185-F188 VanDerWaalsContact O-CB 3.26Å; F185-F188 WeakPolarHBondContact O-CB 3.28Å; F185-F188 PolarHBondContact O-N 3.4Å; F185-F188 VanDerWaalsContact O-N 3.07Å; F188-M190 PolarHBondContact O-N 3.31Å; F188-M190 VanDerWaalsContact O-N 3.09Å; F188-L204 HydrophobicContact CE1-CB 4.36Å; F188-L204 HydrophobicContact CE1-CD1 4.12Å; F188-L204 HydrophobicContact CE2-CB 3.76Å; F188-L204 HydrophobicContact CZ-CB 3.46Å; F188-L204 VanDerWaalsContact CZ-CB 3.46Å; F188-L204 HydrophobicContact CZ-CD1 4.04Å; F188-L204 HydrophobicContact CZ-CG 4.39Å; F188-L205 HydrophobicContact CD2-CD2 3.77Å; F188-L205 HydrophobicContact CD2-CG 4.38Å; F188-L205 HydrophobicContact CE2-CD2 3.61Å; F188-L205 HydrophobicContact CE2-CG 4.08Å |
| 189 | P | 57.3 | Low | 55.2 | Low | 105 Ų | 105 | 89.2 Ų | 89.2 | 68% | 0.682 | 45% | 0.451 | S | S | * | . | trans | -61.1 | 116.1 | 177.3 | 22.3 | -29.4 | 0 | 0 | 0 | 109.4 | E191 | P189-E191 PolarHBondContact O-N 3.38Š| ||
| 190 | M | 46.3 | Very low | 54.8 | Low | 113 Ų | 113 | 87.9 Ų | 87.9 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | trans | -96.7 | 35.6 | -157.6 | -127.4 | -89.6 | -178.5 | 0 | 0 | 112.7 | F185 F188 | F185-M190 HydrophobicContact CE1-CE 3.95Å; F185-M190 HydrophobicContact CE2-CE 4.24Å; F185-M190 HydrophobicContact CZ-CE 3.43Å; F185-M190 VanDerWaalsContact CZ-CE 3.43Å; F188-M190 PolarHBondContact O-N 3.31Å; F188-M190 VanDerWaalsContact O-N 3.09Å | ||
| 191 | E | 47.4 | Very low | 54.5 | Low | 184 Ų | 184 | 83.5 Ų | 83.5 | 86% | 0.86 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -82.9 | -26.8 | -174.1 | -75 | -170.9 | 162.8 | 0 | 0 | 114.1 | P189 | P189-E191 PolarHBondContact O-N 3.38Š|
| 192 | E | 44.3 | Very low | 54.6 | Low | 164 Ų | 164 | 87 Ų | 87 | 77% | 0.766 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -133.3 | -0.5 | -177.2 | -71.5 | -172.8 | 153.5 | 0 | 0 | 117.3 | K194 | E192-K194 VanDerWaalsContact C-N 3.27Å; E192-K194 PolarHBondContact O-N 3.48Å |
| 193 | T | 46.4 | Very low | 54.9 | Low | 11 Ų | 11 | 82.6 Ų | 82.6 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | trans | -84.1 | 32.8 | -168.9 | 60.1 | 0 | 0 | 0 | 0 | 117 | S195 E311 | T193-S195 VanDerWaalsContact C-N 3.26Å; T193-S195 PolarHBondContact O-N 3.49Å; T193-E311 WeakPolarHBondContact CA-OE1 3.48Å; T193-E311 WeakPolarHBondContact CB-OE1 3.36Å; T193-E311 VanDerWaalsContact CG2-CD 3.41Å; T193-E311 WeakPolarHBondContact CG2-OE1 3.28Å; T193-E311 WeakPolarHBondContact CG2-OE2 3.2Å | ||
| 194 | K | 49.5 | Very low | 55 | Low | 201 Ų | 201 | 77.1 Ų | 77.1 | 87% | 0.874 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -17.8 | -171.5 | -71.9 | -179 | -177.2 | 170.3 | 0 | 115.1 | E192 | E192-K194 VanDerWaalsContact C-N 3.27Å; E192-K194 PolarHBondContact O-N 3.48Å |
| 195 | S | 53.7 | Low | 55.2 | Low | 64 Ų | 64 | 77.5 Ų | 77.5 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -8.7 | -172.3 | 49.8 | 0 | 0 | 0 | 0 | 115.3 | T193 S315 | T193-S195 VanDerWaalsContact C-N 3.26Å; T193-S195 PolarHBondContact O-N 3.49Å; S195-S315 PolarHBondContact OG-OG 2.78Å |
| 196 | L | 51.1 | Low | 55.9 | Low | 14 Ų | 14 | 79.7 Ų | 79.7 | 7% | 0.073 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -104.7 | 138.4 | -173.5 | -90.9 | 134.3 | 0 | 0 | 0 | 113.5 | H200 E311 L314 S315 | L196-H200 HydrophobicContact CD2-CB 3.51Å; L196-E311 HydrophobicContact CD1-CB 4.46Å; L196-E311 HydrophobicContact CD1-CG 3.18Å; L196-E311 VanDerWaalsContact CD1-OE1 3.25Å; L196-E311 WeakPolarHBondContact CD1-OE1 3.24Å; L196-L314 HydrophobicContact CD2-CB 4.41Å; L196-L314 HydrophobicContact CD2-CD2 3.41Å; L196-L314 VanDerWaalsContact CD2-CD2 3.41Å; L196-L314 HydrophobicContact CD2-CG 3.76Å; L196-S315 VanDerWaalsContact CD1-OG 3.32Å; L196-S315 WeakPolarHBondContact CD1-OG 3.26Å |
| 197 | P | 54.2 | Low | 56.4 | Low | 43 Ų | 43 | 77.5 Ų | 77.5 | 28% | 0.279 | 40% | 0.397 | S | S | . | . | trans | -63.8 | 146.4 | 171.5 | -14.3 | 25.6 | 0 | 0 | 0 | 111.1 | S199 H200 | P197-S199 PolarHBondContact O-N 2.81Å; P197-H200 PolarHBondContact O-N 2.97Å | ||
| 198 | P | 54.7 | Low | 57 | Low | 60 Ų | 60 | 74 Ų | 74 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.2 | -26.1 | 177.5 | -27.6 | 34.5 | 0 | 0 | 0 | 114.5 | F185 H200 C201 | F185-P198 HydrophobicContact CD2-CB 3.96Å; F185-P198 HydrophobicContact CD2-CG 4.5Å; F185-P198 HydrophobicContact CE1-CG 4.39Å; F185-P198 HydrophobicContact CE2-CB 4.07Å; F185-P198 HydrophobicContact CE2-CG 4.13Å; F185-P198 HydrophobicContact CG-CB 4.19Å; F185-P198 HydrophobicContact CZ-CB 4.4Å; F185-P198 HydrophobicContact CZ-CG 4.07Å; P198-H200 PolarHBondContact O-N 2.89Å; P198-C201 PolarHBondContact O-N 3.09Å |
| 199 | S | 54.3 | Low | 57.8 | Low | 36 Ų | 36 | 72.5 Ų | 72.5 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.7 | -12.9 | 177.4 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | E137 P197 W202 | E137-S199 WeakPolarHBondContact OE2-CB 3.48Å; E137-S199 PolarHBondContact OE2-OG 3.02Å; P197-S199 PolarHBondContact O-N 2.81Å; S199-W202 PolarHBondContact O-NE1 3.28Å |
| 200 | H | 56.2 | Low | 58.2 | Low | 3 Ų | 3 | 68.2 Ų | 68.2 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -94.9 | -14.7 | 171.4 | -67.4 | -89.7 | 0 | 0 | 0 | 112.6 | L196 P197 P198 W202 V203 H213 L314 H318 | L196-H200 HydrophobicContact CD2-CB 3.51Å; P197-H200 PolarHBondContact O-N 2.97Å; P198-H200 PolarHBondContact O-N 2.89Å; H200-W202 PolarHBondContact O-N 3.18Å; H200-V203 WeakPolarHBondContact O-CB 3.17Å; H200-V203 WeakPolarHBondContact O-CG2 3.37Å; H200-V203 PolarHBondContact O-N 3.11Å; H200-H213 AromaticContact CE1-CE1 3.47Å; H200-H213 PolarHBondContact CE1-CE1 3.22Å; H200-H213 VanDerWaalsContact CE1-CE1 3.47Å; H200-H213 AromaticContact CE1-NE2 3.13Å; H200-H213 PolarHBondContact CE1-NE2 3.38Å; H200-H213 AromaticContact ND1-CD2 3.74Å; H200-H213 AromaticContact ND1-CE1 3.33Å; H200-H213 PolarHBondContact ND1-CE1 2.87Å; H200-H213 VanDerWaalsContact ND1-CE1 3.33Å; H200-H213 AromaticContact ND1-NE2 2.78Å; H200-H213 PolarHBondContact ND1-NE2 3.35Å; H200-L314 HydrophobicContact CB-CD2 4.22Å; H200-H318 AromaticContact NE2-CE1 3.84Å; H200-H318 AromaticContact NE2-ND1 3.85Å |
| 201 | C | 58.2 | Low | 59.5 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74 | -27 | -173.8 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | F185 P198 V203 L204 | F185-C201 HydrophobicContact CD2-CB 3.61Å; F185-C201 WeakPolarHBondContact CD2-SG 3.45Å; F185-C201 HydrophobicContact CE2-CB 4.24Å; F185-C201 WeakPolarHBondContact CE2-SG 3.48Å; P198-C201 PolarHBondContact O-N 3.09Å; C201-V203 PolarHBondContact O-N 2.9Å; C201-L204 WeakPolarHBondContact O-CB 3.37Å; C201-L204 PolarHBondContact O-N 2.88Å; C201-L204 VanDerWaalsContact O-N 3.09Å |
| 202 | W | 60.4 | Low | 60.9 | Low | 112 Ų | 112 | 67.5 Ų | 67.5 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.1 | 173.4 | 70.1 | -93.6 | 0 | 0 | 0 | 111.5 | T181 S199 H200 L204 L205 A209 | T181-W202 HydrophobicContact CG2-CB 4.13Å; S199-W202 PolarHBondContact O-NE1 3.28Å; H200-W202 PolarHBondContact O-N 3.18Å; W202-L204 PolarHBondContact O-N 3.28Å; W202-L205 WeakPolarHBondContact O-CB 3.49Å; W202-L205 PolarHBondContact O-N 2.85Å; W202-A209 HydrophobicContact CZ3-CB 3.87Å |
| 203 | V | 64 | Low | 62.3 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -64.7 | -33.5 | 179.1 | -170 | 0 | 0 | 0 | 0 | 110.4 | H200 C201 L205 D206 A209 F210 H213 | H200-V203 WeakPolarHBondContact O-CB 3.17Å; H200-V203 WeakPolarHBondContact O-CG2 3.37Å; H200-V203 PolarHBondContact O-N 3.11Å; C201-V203 PolarHBondContact O-N 2.9Å; V203-L205 PolarHBondContact O-N 2.63Å; V203-D206 PolarHBondContact O-N 2.92Å; V203-A209 VanDerWaalsContact CG1-C 3.42Å; V203-A209 HydrophobicContact CG1-CB 4.31Å; V203-A209 VanDerWaalsContact CG1-O 3.32Å; V203-A209 WeakPolarHBondContact CG1-O 3.2Å; V203-F210 HydrophobicContact CG1-CB 3.92Å; V203-F210 HydrophobicContact CG1-CD2 3.92Å; V203-F210 HydrophobicContact CG1-CG 4.4Å; V203-F210 VanDerWaalsContact CG1-N 3.35Å; V203-F210 WeakPolarHBondContact O-CB 3.37Å; V203-H213 HydrophobicContact CB-CB 4.49Å; V203-H213 HydrophobicContact CG1-CB 3.46Å; V203-H213 VanDerWaalsContact CG1-CB 3.46Å; V203-H213 HydrophobicContact CG2-CB 4.26Å |
| 204 | L | 63.7 | Low | 63.5 | Low | 37 Ų | 37 | 60.4 Ų | 60.4 | 19% | 0.194 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -68.1 | -13.8 | 179.7 | -59.4 | 172 | 0 | 0 | 0 | 113.5 | F188 C201 W202 F210 | F188-L204 HydrophobicContact CE1-CB 4.36Å; F188-L204 HydrophobicContact CE1-CD1 4.12Å; F188-L204 HydrophobicContact CE2-CB 3.76Å; F188-L204 HydrophobicContact CZ-CB 3.46Å; F188-L204 VanDerWaalsContact CZ-CB 3.46Å; F188-L204 HydrophobicContact CZ-CD1 4.04Å; F188-L204 HydrophobicContact CZ-CG 4.39Å; C201-L204 WeakPolarHBondContact O-CB 3.37Å; C201-L204 PolarHBondContact O-N 2.88Å; C201-L204 VanDerWaalsContact O-N 3.09Å; W202-L204 PolarHBondContact O-N 3.28Å; L204-F210 HydrophobicContact CD2-CD2 3.67Å; L204-F210 HydrophobicContact CD2-CE2 3.47Å; L204-F210 VanDerWaalsContact CD2-CE2 3.47Å; L204-F210 HydrophobicContact CD2-CZ 4.31Å |
| 205 | L | 65.3 | Low | 64.7 | Low | 95 Ų | 95 | 55.5 Ų | 55.5 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -79.5 | -22.8 | 179.4 | -63.7 | 167.8 | 0 | 0 | 0 | 113.3 | Q184 F188 W202 V203 | Q184-L205 HydrophobicContact CB-CD1 4Å; Q184-L205 HydrophobicContact CG-CD1 4.26Å; F188-L205 HydrophobicContact CD2-CD2 3.77Å; F188-L205 HydrophobicContact CD2-CG 4.38Å; F188-L205 HydrophobicContact CE2-CD2 3.61Å; F188-L205 HydrophobicContact CE2-CG 4.08Å; W202-L205 WeakPolarHBondContact O-CB 3.49Å; W202-L205 PolarHBondContact O-N 2.85Å; V203-L205 PolarHBondContact O-N 2.63Å |
| 206 | D | 68 | Low | 65.8 | Low | 76 Ų | 76 | 54.6 Ų | 54.6 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | trans | -129 | 116.2 | 178.9 | 173.6 | 10.6 | 0 | 0 | 0 | 109.5 | V203 N208 A209 F210 | V203-D206 PolarHBondContact O-N 2.92Å; D206-N208 PolarHBondContact O-N 3.37Å; D206-N208 VanDerWaalsContact O-N 3.14Å; D206-N208 WeakPolarHBondContact OD1-CB 3.46Å; D206-N208 PolarHBondContact OD1-N 3.12Å; D206-A209 HydrophobicContact CB-CB 3.86Å; D206-A209 PolarHBondContact O-N 3.02Å; D206-A209 VanDerWaalsContact O-N 3.16Å; D206-A209 PolarHBondContact OD2-N 3.49Å; D206-F210 WeakPolarHBondContact O-CB 3.35Å; D206-F210 PolarHBondContact O-N 2.79Å | ||
| 207 | S | 70.8 | Confident | 66.7 | Low | 78 Ų | 78 | 54 Ų | 54 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.3 | -31.6 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | R211 | S207-R211 VanDerWaalsContact O-CG 3.32Å; S207-R211 WeakPolarHBondContact O-CG 3.35Å; S207-R211 PolarHBondContact O-N 3.1Å |
| 208 | N | 74.9 | Confident | 67.7 | Low | 104 Ų | 104 | 54 Ų | 54 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -74.4 | -45.8 | 178.5 | -68.8 | -29.8 | 0 | 0 | 0 | 111.1 | D206 F210 R211 Q212 | D206-N208 PolarHBondContact O-N 3.37Å; D206-N208 VanDerWaalsContact O-N 3.14Å; D206-N208 WeakPolarHBondContact OD1-CB 3.46Å; D206-N208 PolarHBondContact OD1-N 3.12Å; N208-F210 PolarHBondContact O-N 3.04Å; N208-R211 PolarHBondContact O-N 3.27Å; N208-Q212 WeakPolarHBondContact O-CB 3.32Å; N208-Q212 PolarHBondContact O-N 2.89Å |
| 209 | A | 71.9 | Confident | 68.9 | Low | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W202 V203 D206 Q212 H213 | W202-A209 HydrophobicContact CZ3-CB 3.87Å; V203-A209 VanDerWaalsContact CG1-C 3.42Å; V203-A209 HydrophobicContact CG1-CB 4.31Å; V203-A209 VanDerWaalsContact CG1-O 3.32Å; V203-A209 WeakPolarHBondContact CG1-O 3.2Å; D206-A209 HydrophobicContact CB-CB 3.86Å; D206-A209 PolarHBondContact O-N 3.02Å; D206-A209 VanDerWaalsContact O-N 3.16Å; D206-A209 PolarHBondContact OD2-N 3.49Å; A209-Q212 PolarHBondContact O-N 2.76Å; A209-H213 WeakPolarHBondContact O-CB 3.32Å; A209-H213 PolarHBondContact O-N 3.22Å |
| 210 | F | 67.6 | Low | 69.8 | Low | 15 Ų | 15 | 53.3 Ų | 53.3 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 175.8 | -171 | -103.5 | 0 | 0 | 0 | 114.6 | V203 L204 D206 N208 Q212 H213 I214 T310 L314 | V203-F210 HydrophobicContact CG1-CB 3.92Å; V203-F210 HydrophobicContact CG1-CD2 3.92Å; V203-F210 HydrophobicContact CG1-CG 4.4Å; V203-F210 VanDerWaalsContact CG1-N 3.35Å; V203-F210 WeakPolarHBondContact O-CB 3.37Å; L204-F210 HydrophobicContact CD2-CD2 3.67Å; L204-F210 HydrophobicContact CD2-CE2 3.47Å; L204-F210 VanDerWaalsContact CD2-CE2 3.47Å; L204-F210 HydrophobicContact CD2-CZ 4.31Å; D206-F210 WeakPolarHBondContact O-CB 3.35Å; D206-F210 PolarHBondContact O-N 2.79Å; N208-F210 PolarHBondContact O-N 3.04Å; F210-Q212 VanDerWaalsContact C-N 3.3Å; F210-Q212 PolarHBondContact O-N 2.85Å; F210-H213 PolarHBondContact O-N 3.03Å; F210-I214 HydrophobicContact CD1-CD1 3.89Å; F210-I214 HydrophobicContact CE1-CD1 3.15Å; F210-I214 HydrophobicContact CE1-CG1 4.03Å; F210-I214 HydrophobicContact CE2-CD1 4.26Å; F210-I214 HydrophobicContact CE2-CG1 4.39Å; F210-I214 HydrophobicContact CZ-CD1 3.39Å; F210-I214 HydrophobicContact CZ-CG1 3.97Å; F210-I214 PolarHBondContact O-N 3.07Å; F210-T310 VanDerWaalsContact CE1-CB 3.43Å; F210-T310 HydrophobicContact CE1-CG2 3.77Å; F210-T310 HydrophobicContact CZ-CG2 4.47Å; F210-T310 WeakPolarHBondContact CZ-O 3.31Å; F210-L314 HydrophobicContact CE2-CB 4.41Å; F210-L314 HydrophobicContact CE2-CD2 3.87Å; F210-L314 HydrophobicContact CZ-CB 4.47Å |
| 211 | R | 73.2 | Confident | 70.7 | Confident | 176 Ų | 176 | 53.5 Ų | 53.5 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 174.8 | -72.8 | 173.2 | -178.7 | -173.1 | -1.1 | 111.4 | S207 N208 H213 I214 H215 | S207-R211 VanDerWaalsContact O-CG 3.32Å; S207-R211 WeakPolarHBondContact O-CG 3.35Å; S207-R211 PolarHBondContact O-N 3.1Å; N208-R211 PolarHBondContact O-N 3.27Å; R211-H213 VanDerWaalsContact C-N 3.34Å; R211-H213 PolarHBondContact O-N 3.26Å; R211-I214 PolarHBondContact O-N 3.39Å; R211-H215 WeakPolarHBondContact O-CB 3.38Å; R211-H215 PolarHBondContact O-N 3.4Å |
| 212 | Q | 75.9 | Confident | 71.6 | Confident | 106 Ų | 106 | 57 Ų | 57 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178 | -171.9 | 60.6 | 46 | 0 | 0 | 112 | N208 A209 F210 H215 N216 | N208-Q212 WeakPolarHBondContact O-CB 3.32Å; N208-Q212 PolarHBondContact O-N 2.89Å; A209-Q212 PolarHBondContact O-N 2.76Å; F210-Q212 VanDerWaalsContact C-N 3.3Å; F210-Q212 PolarHBondContact O-N 2.85Å; Q212-H215 PolarHBondContact O-N 3.34Å; Q212-N216 PolarHBondContact NE2-OD1 2.9Å; Q212-N216 WeakPolarHBondContact O-CB 3.48Å; Q212-N216 PolarHBondContact O-N 3.3Å; Q212-N216 PolarHBondContact O-ND2 2.89Å; Q212-N216 PolarHBondContact O-OD1 2.88Å |
| 213 | H | 73.2 | Confident | 72.6 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 178.9 | -173.7 | 78.7 | 0 | 0 | 0 | 112.1 | H200 V203 A209 F210 R211 H215 N216 V217 | H200-H213 AromaticContact CE1-CE1 3.47Å; H200-H213 PolarHBondContact CE1-CE1 3.22Å; H200-H213 VanDerWaalsContact CE1-CE1 3.47Å; H200-H213 AromaticContact CE1-NE2 3.13Å; H200-H213 PolarHBondContact CE1-NE2 3.38Å; H200-H213 AromaticContact ND1-CD2 3.74Å; H200-H213 AromaticContact ND1-CE1 3.33Å; H200-H213 PolarHBondContact ND1-CE1 2.87Å; H200-H213 VanDerWaalsContact ND1-CE1 3.33Å; H200-H213 AromaticContact ND1-NE2 2.78Å; H200-H213 PolarHBondContact ND1-NE2 3.35Å; V203-H213 HydrophobicContact CB-CB 4.49Å; V203-H213 HydrophobicContact CG1-CB 3.46Å; V203-H213 VanDerWaalsContact CG1-CB 3.46Å; V203-H213 HydrophobicContact CG2-CB 4.26Å; A209-H213 WeakPolarHBondContact O-CB 3.32Å; A209-H213 PolarHBondContact O-N 3.22Å; F210-H213 PolarHBondContact O-N 3.03Å; R211-H213 VanDerWaalsContact C-N 3.34Å; R211-H213 PolarHBondContact O-N 3.26Å; H213-H215 VanDerWaalsContact C-N 3.29Å; H213-H215 PolarHBondContact O-N 2.95Å; H213-N216 PolarHBondContact O-N 3.17Å; H213-V217 WeakPolarHBondContact O-CG2 3.43Å; H213-V217 PolarHBondContact O-N 3.4Å |
| 214 | I | 71.7 | Confident | 73.2 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.1 | -48.6 | 172 | -75 | -178.3 | 0 | 0 | 0 | 110.1 | F210 R211 N216 V217 Q218 L314 L317 | F210-I214 HydrophobicContact CD1-CD1 3.89Å; F210-I214 HydrophobicContact CE1-CD1 3.15Å; F210-I214 HydrophobicContact CE1-CG1 4.03Å; F210-I214 HydrophobicContact CE2-CD1 4.26Å; F210-I214 HydrophobicContact CE2-CG1 4.39Å; F210-I214 HydrophobicContact CZ-CD1 3.39Å; F210-I214 HydrophobicContact CZ-CG1 3.97Å; F210-I214 PolarHBondContact O-N 3.07Å; R211-I214 PolarHBondContact O-N 3.39Å; I214-N216 VanDerWaalsContact C-N 3.33Å; I214-N216 PolarHBondContact O-N 3.26Å; I214-V217 PolarHBondContact O-N 2.91Å; I214-Q218 HydrophobicContact CG2-CG 4.18Å; I214-Q218 WeakPolarHBondContact O-CB 3.37Å; I214-Q218 WeakPolarHBondContact O-CG 3.45Å; I214-Q218 PolarHBondContact O-N 3.33Å; I214-L314 HydrophobicContact CG1-CD1 4.32Å; I214-L317 HydrophobicContact CG2-CD1 4.23Å |
| 215 | H | 76.7 | Confident | 73.9 | Confident | 98 Ų | 98 | 53.6 Ų | 53.6 | 45% | 0.454 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 178.8 | 179.8 | -79.9 | 0 | 0 | 0 | 111.5 | R211 Q212 H213 V217 Q218 E219 | R211-H215 WeakPolarHBondContact O-CB 3.38Å; R211-H215 PolarHBondContact O-N 3.4Å; Q212-H215 PolarHBondContact O-N 3.34Å; H213-H215 VanDerWaalsContact C-N 3.29Å; H213-H215 PolarHBondContact O-N 2.95Å; H215-V217 PolarHBondContact O-N 2.94Å; H215-Q218 PolarHBondContact O-N 3.39Å; H215-E219 IonicContact CE1-OE2 2.67Å; H215-E219 WeakPolarHBondContact O-CB 3.42Å; H215-E219 PolarHBondContact O-N 2.83Å |
| 216 | N | 75.6 | Confident | 74.8 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 178.4 | -67.3 | -9.7 | 0 | 0 | 0 | 112.6 | M134 Q212 H213 I214 S220 | M134-N216 HydrophobicContact CE-CB 3.76Å; Q212-N216 PolarHBondContact NE2-OD1 2.9Å; Q212-N216 WeakPolarHBondContact O-CB 3.48Å; Q212-N216 PolarHBondContact O-N 3.3Å; Q212-N216 PolarHBondContact O-ND2 2.89Å; Q212-N216 PolarHBondContact O-OD1 2.88Å; H213-N216 PolarHBondContact O-N 3.17Å; I214-N216 VanDerWaalsContact C-N 3.33Å; I214-N216 PolarHBondContact O-N 3.26Å; N216-S220 PolarHBondContact O-N 3.32Å; N216-S220 PolarHBondContact O-OG 2.99Å |
| 217 | V | 70 | Confident | 75.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | H213 I214 H215 E219 S220 V221 L314 L317 L321 | H213-V217 WeakPolarHBondContact O-CG2 3.43Å; H213-V217 PolarHBondContact O-N 3.4Å; I214-V217 PolarHBondContact O-N 2.91Å; H215-V217 PolarHBondContact O-N 2.94Å; V217-E219 VanDerWaalsContact C-N 3.31Å; V217-E219 PolarHBondContact O-N 3.17Å; V217-S220 PolarHBondContact O-N 3.42Å; V217-V221 HydrophobicContact CG1-CG2 4.45Å; V217-V221 WeakPolarHBondContact O-CG2 3.38Å; V217-V221 PolarHBondContact O-N 2.83Å; V217-L314 HydrophobicContact CG2-CD1 4.27Å; V217-L317 HydrophobicContact CG1-CB 3.75Å; V217-L321 HydrophobicContact CG1-CD2 4.47Å |
| 218 | Q | 75.2 | Confident | 75.7 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.9 | -73.6 | 178.5 | -31.8 | 0 | 0 | 112 | I214 H215 V221 S222 L317 | I214-Q218 HydrophobicContact CG2-CG 4.18Å; I214-Q218 WeakPolarHBondContact O-CB 3.37Å; I214-Q218 WeakPolarHBondContact O-CG 3.45Å; I214-Q218 PolarHBondContact O-N 3.33Å; H215-Q218 PolarHBondContact O-N 3.39Å; Q218-V221 PolarHBondContact O-N 3.16Å; Q218-S222 WeakPolarHBondContact O-CB 3.32Å; Q218-S222 PolarHBondContact O-N 3.46Å; Q218-S222 PolarHBondContact O-OG 3.21Å; Q218-L317 HydrophobicContact CG-CD1 3.62Å; Q218-L317 HydrophobicContact CG-CD2 4.04Å |
| 219 | E | 79.4 | Confident | 76 | Confident | 80 Ų | 80 | 40.8 Ų | 40.8 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 175.3 | -166.4 | -167.8 | 148.4 | 0 | 0 | 111.3 | H215 V217 S222 K223 | H215-E219 IonicContact CE1-OE2 2.67Å; H215-E219 WeakPolarHBondContact O-CB 3.42Å; H215-E219 PolarHBondContact O-N 2.83Å; V217-E219 VanDerWaalsContact C-N 3.31Å; V217-E219 PolarHBondContact O-N 3.17Å; E219-S222 WeakPolarHBondContact O-CB 3.27Å; E219-S222 PolarHBondContact O-N 2.74Å; E219-K223 HydrophobicContact CG-CD 4.5Å; E219-K223 WeakPolarHBondContact O-CG 3.34Å; E219-K223 PolarHBondContact O-N 3.45Å; E219-K223 WeakPolarHBondContact OE1-CE 3.28Å; E219-K223 IonicContact OE1-NZ 3.5Å; E219-K223 PolarHBondContact OE1-NZ 3.28Å |
| 220 | S | 74.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.2 | -76.9 | 0 | 0 | 0 | 0 | 112.4 | N216 V217 S222 K223 L224 | N216-S220 PolarHBondContact O-N 3.32Å; N216-S220 PolarHBondContact O-OG 2.99Å; V217-S220 PolarHBondContact O-N 3.42Å; S220-S222 VanDerWaalsContact C-N 3.3Å; S220-S222 PolarHBondContact O-N 2.94Å; S220-K223 WeakPolarHBondContact O-CB 3.09Å; S220-K223 PolarHBondContact O-N 3.35Å; S220-K223 VanDerWaalsContact O-N 3.17Å; S220-L224 WeakPolarHBondContact O-CG 3.24Å; S220-L224 PolarHBondContact O-N 3.45Å |
| 221 | V | 73.2 | Confident | 76.9 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 176 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | V217 Q218 K223 L224 H225 E320 L321 L324 | V217-V221 HydrophobicContact CG1-CG2 4.45Å; V217-V221 WeakPolarHBondContact O-CG2 3.38Å; V217-V221 PolarHBondContact O-N 2.83Å; Q218-V221 PolarHBondContact O-N 3.16Å; V221-K223 VanDerWaalsContact C-N 3.33Å; V221-K223 PolarHBondContact O-N 3.17Å; V221-L224 PolarHBondContact O-N 2.67Å; V221-H225 PolarHBondContact O-CD2 2.95Å; V221-H225 PolarHBondContact O-N 3.32Å; V221-E320 HydrophobicContact CG1-CG 4.26Å; V221-L321 HydrophobicContact CG2-CB 3.94Å; V221-L321 HydrophobicContact CG2-CD1 3.91Å; V221-L324 HydrophobicContact CG1-CD1 3.93Å |
| 222 | S | 78.8 | Confident | 77 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 53% | 0.531 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.8 | -40 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | Q218 E219 S220 H225 L226 | Q218-S222 WeakPolarHBondContact O-CB 3.32Å; Q218-S222 PolarHBondContact O-N 3.46Å; Q218-S222 PolarHBondContact O-OG 3.21Å; E219-S222 WeakPolarHBondContact O-CB 3.27Å; E219-S222 PolarHBondContact O-N 2.74Å; S220-S222 VanDerWaalsContact C-N 3.3Å; S220-S222 PolarHBondContact O-N 2.94Å; S222-H225 PolarHBondContact O-N 3.09Å; S222-L226 WeakPolarHBondContact O-CB 3.5Å; S222-L226 PolarHBondContact O-N 3.5Å |
| 223 | K | 81.7 | Confident | 77.2 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 174.9 | -74.9 | 169.7 | 167.3 | 167.8 | 0 | 112.2 | L127 E219 S220 V221 L226 L227 | L127-K223 HydrophobicContact CD2-CB 4.13Å; L127-K223 HydrophobicContact CD2-CD 3.85Å; L127-K223 HydrophobicContact CD2-CG 3.88Å; E219-K223 HydrophobicContact CG-CD 4.5Å; E219-K223 WeakPolarHBondContact O-CG 3.34Å; E219-K223 PolarHBondContact O-N 3.45Å; E219-K223 WeakPolarHBondContact OE1-CE 3.28Å; E219-K223 IonicContact OE1-NZ 3.5Å; E219-K223 PolarHBondContact OE1-NZ 3.28Å; S220-K223 WeakPolarHBondContact O-CB 3.09Å; S220-K223 PolarHBondContact O-N 3.35Å; S220-K223 VanDerWaalsContact O-N 3.17Å; V221-K223 VanDerWaalsContact C-N 3.33Å; V221-K223 PolarHBondContact O-N 3.17Å; K223-L226 WeakPolarHBondContact O-CB 3.45Å; K223-L226 PolarHBondContact O-N 3.19Å; K223-L227 PolarHBondContact O-N 2.9Å |
| 224 | L | 74.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 176.2 | -60.9 | -176.1 | 0 | 0 | 0 | 112.7 | A131 S220 V221 L226 L227 L228 L321 L324 T325 L328 | A131-L224 HydrophobicContact CB-CD1 3.71Å; A131-L224 HydrophobicContact CB-CD2 3.31Å; A131-L224 HydrophobicContact CB-CG 3.67Å; S220-L224 WeakPolarHBondContact O-CG 3.24Å; S220-L224 PolarHBondContact O-N 3.45Å; V221-L224 PolarHBondContact O-N 2.67Å; L224-L226 PolarHBondContact O-N 3.13Å; L224-L227 HydrophobicContact CD2-CD1 4.24Å; L224-L227 WeakPolarHBondContact O-CB 3.45Å; L224-L227 PolarHBondContact O-N 3.45Å; L224-L227 VanDerWaalsContact O-N 3.16Å; L224-L228 PolarHBondContact O-N 3.12Å; L224-L321 HydrophobicContact CD1-CD1 3.69Å; L224-L324 HydrophobicContact CB-CB 3.97Å; L224-L324 HydrophobicContact CB-CD1 4.07Å; L224-L324 HydrophobicContact CD1-CB 3.47Å; L224-L324 VanDerWaalsContact CD1-CB 3.47Å; L224-L324 HydrophobicContact CD1-CD1 4.34Å; L224-L324 HydrophobicContact CG-CB 4.41Å; L224-T325 VanDerWaalsContact CD1-OG1 3.31Å; L224-T325 WeakPolarHBondContact CD1-OG1 3.28Å; L224-L328 HydrophobicContact CB-CD1 3.79Å; L224-L328 HydrophobicContact CD1-CD1 4.37Å; L224-L328 HydrophobicContact CD2-CD1 3.21Å; L224-L328 HydrophobicContact CG-CD1 3.93Å |
| 225 | H | 80.1 | Confident | 77.6 | Confident | 46 Ų | 46 | 33 Ų | 33 | 21% | 0.213 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -38.2 | 172.5 | -83.3 | -56.1 | 0 | 0 | 0 | 112 | V221 S222 L228 S229 E320 | V221-H225 PolarHBondContact O-CD2 2.95Å; V221-H225 PolarHBondContact O-N 3.32Å; S222-H225 PolarHBondContact O-N 3.09Å; H225-L228 PolarHBondContact O-N 2.98Å; H225-S229 WeakPolarHBondContact O-CB 3.17Å; H225-S229 PolarHBondContact O-N 3.28Å; H225-S229 PolarHBondContact O-OG 3.08Å; H225-E320 IonicContact CD2-OE1 3.73Å; H225-E320 IonicContact CE1-OE1 3.75Å; H225-E320 PolarHBondContact CE1-OE1 3.19Å; H225-E320 IonicContact NE2-OE1 2.89Å; H225-E320 PolarHBondContact NE2-OE1 2.59Å |
| 226 | L | 83.9 | Confident | 77.6 | Confident | 26 Ų | 26 | 31.5 Ų | 31.5 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 174.9 | 179 | 64.2 | 0 | 0 | 0 | 112.1 | I13 N16 L17 S222 K223 L224 S229 W230 | I13-L226 HydrophobicContact CG2-CD1 4.11Å; N16-L226 HydrophobicContact CB-CD1 3.66Å; N16-L226 HydrophobicContact CB-CD2 4.11Å; L17-L226 HydrophobicContact CD2-CD2 3.93Å; L17-L226 HydrophobicContact CD2-CG 3.72Å; L17-L226 HydrophobicContact CG-CD1 4.46Å; L17-L226 HydrophobicContact CG-CD2 4.29Å; L17-L226 HydrophobicContact CG-CG 4.08Å; S222-L226 WeakPolarHBondContact O-CB 3.5Å; S222-L226 PolarHBondContact O-N 3.5Å; K223-L226 WeakPolarHBondContact O-CB 3.45Å; K223-L226 PolarHBondContact O-N 3.19Å; L224-L226 PolarHBondContact O-N 3.13Å; L226-S229 PolarHBondContact O-N 2.89Å; L226-W230 WeakPolarHBondContact O-CB 3.34Å; L226-W230 PolarHBondContact O-N 3.47Å |
| 227 | L | 80 | Confident | 77.9 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.4 | -76.1 | 174.3 | 0 | 0 | 0 | 112.5 | L17 E124 L127 K223 L224 W230 R231 L328 | L17-L227 HydrophobicContact CD2-CD2 3.9Å; E124-L227 HydrophobicContact CB-CD2 4.14Å; E124-L227 HydrophobicContact CG-CD2 3.79Å; L127-L227 HydrophobicContact CB-CD1 3.69Å; L127-L227 HydrophobicContact CB-CD2 4.26Å; L127-L227 HydrophobicContact CB-CG 4.1Å; L127-L227 HydrophobicContact CD1-CD2 3.8Å; L127-L227 HydrophobicContact CD1-CG 4.06Å; K223-L227 PolarHBondContact O-N 2.9Å; L224-L227 HydrophobicContact CD2-CD1 4.24Å; L224-L227 WeakPolarHBondContact O-CB 3.45Å; L224-L227 PolarHBondContact O-N 3.45Å; L224-L227 VanDerWaalsContact O-N 3.16Å; L227-W230 WeakPolarHBondContact O-CB 3.38Å; L227-W230 PolarHBondContact O-N 2.82Å; L227-R231 PolarHBondContact O-N 3.36Å; L227-L328 HydrophobicContact CB-CD1 4.18Å; L227-L328 HydrophobicContact CB-CD2 3.82Å; L227-L328 HydrophobicContact CD1-CD1 3.84Å; L227-L328 HydrophobicContact CD1-CD2 4.35Å |
| 228 | L | 76.4 | Confident | 78.5 | Confident | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 176.1 | -69.8 | 176.6 | 0 | 0 | 0 | 111.4 | L224 H225 W230 R231 E232 T293 L324 L328 | L224-L228 PolarHBondContact O-N 3.12Å; H225-L228 PolarHBondContact O-N 2.98Å; L228-W230 PolarHBondContact O-N 3.4Å; L228-R231 WeakPolarHBondContact O-CB 3.2Å; L228-R231 PolarHBondContact O-N 2.93Å; L228-R231 VanDerWaalsContact O-N 3.1Å; L228-E232 PolarHBondContact O-N 3.32Å; L228-T293 HydrophobicContact CD1-CG2 4.1Å; L228-L324 HydrophobicContact CD1-CD2 3.42Å; L228-L324 VanDerWaalsContact CD1-CD2 3.42Å; L228-L328 HydrophobicContact CD2-CD2 3.78Å; L228-L328 HydrophobicContact CD2-CG 4.09Å; L228-L328 HydrophobicContact CG-CD2 4.2Å; L228-L328 HydrophobicContact CG-CG 4.4Å |
| 229 | S | 81.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 31% | 0.308 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | H225 L226 E232 V233 | H225-S229 WeakPolarHBondContact O-CB 3.17Å; H225-S229 PolarHBondContact O-N 3.28Å; H225-S229 PolarHBondContact O-OG 3.08Å; L226-S229 PolarHBondContact O-N 2.89Å; S229-E232 PolarHBondContact O-N 2.87Å; S229-V233 WeakPolarHBondContact O-CG2 3.43Å; S229-V233 PolarHBondContact O-N 2.69Å |
| 230 | W | 83.9 | Confident | 78.7 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 174 | 172.1 | -119.7 | 0 | 0 | 0 | 112.4 | I13 F14 L17 L120 E124 L226 L227 L228 E232 V233 N234 F237 | I13-W230 HydrophobicContact CG2-CB 3.85Å; I13-W230 HydrophobicContact CG2-CE3 4.13Å; F14-W230 HydrophobicContact CB-CE3 4.37Å; F14-W230 HydrophobicContact CB-CH2 4.22Å; F14-W230 HydrophobicContact CB-CZ3 3.7Å; F14-W230 AromaticContact CD2-CH2 3.72Å; F14-W230 HydrophobicContact CD2-CH2 3.72Å; F14-W230 HydrophobicContact CD2-CZ2 4.32Å; F14-W230 HydrophobicContact CD2-CZ3 4.06Å; F14-W230 HydrophobicContact CG-CH2 4.38Å; F14-W230 HydrophobicContact CG-CZ3 4.34Å; L17-W230 HydrophobicContact CD1-CB 3.5Å; L17-W230 VanDerWaalsContact CD1-CB 3.5Å; L17-W230 HydrophobicContact CD1-CD2 3.42Å; L17-W230 VanDerWaalsContact CD1-CD2 3.42Å; L17-W230 HydrophobicContact CD1-CE3 3.97Å; L17-W230 HydrophobicContact CD1-CG 3.22Å; L17-W230 HydrophobicContact CD2-CB 4.49Å; L17-W230 HydrophobicContact CG-CB 4.28Å; L17-W230 HydrophobicContact CG-CG 4.44Å; L120-W230 HydrophobicContact CD1-CZ2 4.25Å; L120-W230 HydrophobicContact CD2-CZ2 4.37Å; E124-W230 PolarHBondContact OE1-NE1 3.43Å; L226-W230 WeakPolarHBondContact O-CB 3.34Å; L226-W230 PolarHBondContact O-N 3.47Å; L227-W230 WeakPolarHBondContact O-CB 3.38Å; L227-W230 PolarHBondContact O-N 2.82Å; L228-W230 PolarHBondContact O-N 3.4Å; W230-E232 PolarHBondContact O-N 2.82Å; W230-V233 HydrophobicContact CE3-CG2 4.13Å; W230-V233 PolarHBondContact O-N 3.13Å; W230-N234 HydrophobicContact CD2-CB 3.98Å; W230-N234 HydrophobicContact CE3-CB 4.3Å; W230-N234 HydrophobicContact CH2-CB 4.23Å; W230-N234 HydrophobicContact CZ2-CB 3.9Å; W230-N234 HydrophobicContact CZ3-CB 4.4Å; W230-N234 VanDerWaalsContact O-CB 3.27Å; W230-N234 WeakPolarHBondContact O-CB 3.28Å; W230-N234 PolarHBondContact O-N 3.26Å; W230-F237 HydrophobicContact CH2-CB 4Å; W230-F237 AromaticContact CH2-CD1 3.58Å; W230-F237 HydrophobicContact CH2-CD1 3.58Å; W230-F237 HydrophobicContact CH2-CD2 4.45Å; W230-F237 HydrophobicContact CH2-CE1 4.12Å; W230-F237 AromaticContact CH2-CG 3.76Å; W230-F237 HydrophobicContact CH2-CG 3.76Å; W230-F237 HydrophobicContact CZ3-CB 3.94Å; W230-F237 HydrophobicContact CZ3-CD1 4.25Å; W230-F237 HydrophobicContact CZ3-CD2 4.4Å; W230-F237 AromaticContact CZ3-CG 3.95Å; W230-F237 HydrophobicContact CZ3-CG 3.95Å |
| 231 | R | 76.2 | Confident | 79 | Confident | 61 Ų | 61 | 30 Ų | 30 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -35.8 | 176 | -73.6 | -172.8 | 175.7 | -174.7 | 4.2 | 112.1 | L227 L228 V233 N234 L328 | L227-R231 PolarHBondContact O-N 3.36Å; L228-R231 WeakPolarHBondContact O-CB 3.2Å; L228-R231 PolarHBondContact O-N 2.93Å; L228-R231 VanDerWaalsContact O-N 3.1Å; R231-V233 PolarHBondContact O-N 3.27Å; R231-N234 PolarHBondContact O-OD1 3.5Å; R231-L328 PolarHBondContact NH1-O 3.41Å; R231-L328 PolarHBondContact NH2-O 2.93Å |
| 232 | E | 75.2 | Confident | 79.1 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 34% | 0.336 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68 | -32.8 | 177.4 | -69.9 | -176.3 | -174 | 0 | 0 | 113.9 | L228 S229 W230 H235 L290 | L228-E232 PolarHBondContact O-N 3.32Å; S229-E232 PolarHBondContact O-N 2.87Å; W230-E232 PolarHBondContact O-N 2.82Å; E232-H235 PolarHBondContact O-CE1 3.34Å; E232-H235 PolarHBondContact O-ND1 3.43Å; E232-L290 HydrophobicContact CG-CD2 4.21Å |
| 233 | V | 79.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -111.1 | -10.7 | -171.4 | -55 | 0 | 0 | 0 | 0 | 114.7 | C10 I13 S229 W230 R231 H235 R236 F237 | C10-V233 HydrophobicContact CB-CB 4.33Å; C10-V233 HydrophobicContact CB-CG2 4.36Å; I13-V233 HydrophobicContact CB-CG2 4.14Å; I13-V233 HydrophobicContact CD1-CB 4.41Å; I13-V233 HydrophobicContact CD1-CG1 3.88Å; I13-V233 HydrophobicContact CD1-CG2 3.68Å; I13-V233 HydrophobicContact CG2-CG2 4.14Å; S229-V233 WeakPolarHBondContact O-CG2 3.43Å; S229-V233 PolarHBondContact O-N 2.69Å; W230-V233 HydrophobicContact CE3-CG2 4.13Å; W230-V233 PolarHBondContact O-N 3.13Å; R231-V233 PolarHBondContact O-N 3.27Å; V233-H235 VanDerWaalsContact C-N 3.3Å; V233-H235 PolarHBondContact O-N 3.45Å; V233-R236 WeakPolarHBondContact O-CB 3.33Å; V233-R236 PolarHBondContact O-N 2.7Å; V233-F237 PolarHBondContact O-N 2.87Å; V233-F237 VanDerWaalsContact O-N 3.16Å |
| 234 | N | 79.3 | Confident | 79.2 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.9 | -42.7 | -172.2 | 65.2 | 11.6 | 0 | 0 | 0 | 112.9 | W230 R231 R236 F237 W238 M279 | W230-N234 HydrophobicContact CD2-CB 3.98Å; W230-N234 HydrophobicContact CE3-CB 4.3Å; W230-N234 HydrophobicContact CH2-CB 4.23Å; W230-N234 HydrophobicContact CZ2-CB 3.9Å; W230-N234 HydrophobicContact CZ3-CB 4.4Å; W230-N234 VanDerWaalsContact O-CB 3.27Å; W230-N234 WeakPolarHBondContact O-CB 3.28Å; W230-N234 PolarHBondContact O-N 3.26Å; R231-N234 PolarHBondContact O-OD1 3.5Å; N234-R236 VanDerWaalsContact C-N 3.27Å; N234-R236 PolarHBondContact O-N 3.14Å; N234-F237 WeakPolarHBondContact O-CB 3.49Å; N234-F237 PolarHBondContact O-N 2.87Å; N234-F237 VanDerWaalsContact O-N 3.08Å; N234-W238 PolarHBondContact O-N 3.41Å; N234-M279 PolarHBondContact ND2-SD 3.12Å; N234-M279 VanDerWaalsContact ND2-SD 3.38Å |
| 235 | H | 74.8 | Confident | 79.3 | Confident | 29 Ų | 29 | 31.5 Ų | 31.5 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -36.7 | 179.9 | 66.1 | -73.4 | 0 | 0 | 0 | 111.9 | E232 V233 W238 Q239 | E232-H235 PolarHBondContact O-CE1 3.34Å; E232-H235 PolarHBondContact O-ND1 3.43Å; V233-H235 VanDerWaalsContact C-N 3.3Å; V233-H235 PolarHBondContact O-N 3.45Å; H235-W238 PolarHBondContact O-N 2.91Å; H235-Q239 WeakPolarHBondContact O-CB 3.44Å; H235-Q239 VanDerWaalsContact O-CG 3.24Å; H235-Q239 WeakPolarHBondContact O-CG 3.24Å; H235-Q239 PolarHBondContact O-N 3.37Å |
| 236 | R | 76.5 | Confident | 79 | Confident | 66 Ų | 66 | 31.4 Ų | 31.4 | 25% | 0.249 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.6 | -37.5 | 176 | -65.4 | -179 | 176 | 146.2 | -11.3 | 111.7 | V233 N234 W238 Q239 W240 | V233-R236 WeakPolarHBondContact O-CB 3.33Å; V233-R236 PolarHBondContact O-N 2.7Å; N234-R236 VanDerWaalsContact C-N 3.27Å; N234-R236 PolarHBondContact O-N 3.14Å; R236-W238 VanDerWaalsContact C-N 3.33Å; R236-Q239 PolarHBondContact O-N 3.12Å; R236-W240 WeakPolarHBondContact O-CB 3.48Å; R236-W240 PolarHBondContact O-N 3Å |
| 237 | F | 82 | Confident | 78.5 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 173.1 | 175.8 | -92.1 | 0 | 0 | 0 | 110.6 | F14 I111 W230 V233 N234 W240 I241 | F14-F237 HydrophobicContact CB-CD2 4.12Å; F14-F237 HydrophobicContact CB-CE2 3.91Å; F14-F237 HydrophobicContact CB-CZ 4.44Å; F14-F237 AromaticContact CD1-CE2 3.75Å; F14-F237 HydrophobicContact CD1-CE2 3.75Å; F14-F237 AromaticContact CD1-CZ 3.84Å; F14-F237 HydrophobicContact CD1-CZ 3.84Å; F14-F237 HydrophobicContact CD2-CE1 4.18Å; F14-F237 HydrophobicContact CD2-CE2 4.17Å; F14-F237 AromaticContact CD2-CZ 3.83Å; F14-F237 HydrophobicContact CD2-CZ 3.83Å; F14-F237 HydrophobicContact CE1-CE2 4.3Å; F14-F237 AromaticContact CE1-CZ 3.98Å; F14-F237 HydrophobicContact CE1-CZ 3.98Å; F14-F237 HydrophobicContact CE2-CE1 4.28Å; F14-F237 AromaticContact CE2-CZ 3.96Å; F14-F237 HydrophobicContact CE2-CZ 3.96Å; F14-F237 HydrophobicContact CG-CD2 4.31Å; F14-F237 HydrophobicContact CG-CE1 4.5Å; F14-F237 AromaticContact CG-CE2 3.66Å; F14-F237 HydrophobicContact CG-CE2 3.66Å; F14-F237 AromaticContact CG-CZ 3.76Å; F14-F237 HydrophobicContact CG-CZ 3.76Å; F14-F237 HydrophobicContact CZ-CZ 4.03Å; I111-F237 HydrophobicContact CD1-CE1 4.06Å; I111-F237 HydrophobicContact CD1-CZ 3.79Å; W230-F237 HydrophobicContact CH2-CB 4Å; W230-F237 AromaticContact CH2-CD1 3.58Å; W230-F237 HydrophobicContact CH2-CD1 3.58Å; W230-F237 HydrophobicContact CH2-CD2 4.45Å; W230-F237 HydrophobicContact CH2-CE1 4.12Å; W230-F237 AromaticContact CH2-CG 3.76Å; W230-F237 HydrophobicContact CH2-CG 3.76Å; W230-F237 HydrophobicContact CZ3-CB 3.94Å; W230-F237 HydrophobicContact CZ3-CD1 4.25Å; W230-F237 HydrophobicContact CZ3-CD2 4.4Å; W230-F237 AromaticContact CZ3-CG 3.95Å; W230-F237 HydrophobicContact CZ3-CG 3.95Å; V233-F237 PolarHBondContact O-N 2.87Å; V233-F237 VanDerWaalsContact O-N 3.16Å; N234-F237 WeakPolarHBondContact O-CB 3.49Å; N234-F237 PolarHBondContact O-N 2.87Å; N234-F237 VanDerWaalsContact O-N 3.08Å; F237-W240 HydrophobicContact CD2-CE3 4.45Å; F237-W240 HydrophobicContact CE2-CE3 4.39Å; F237-W240 HydrophobicContact CE2-CZ3 4.34Å; F237-W240 WeakPolarHBondContact O-CA 2.91Å; F237-W240 WeakPolarHBondContact O-CB 3.5Å; F237-W240 PolarHBondContact O-N 2.91Å; F237-W240 VanDerWaalsContact O-N 3.13Å; F237-I241 HydrophobicContact CD1-CG1 4.13Å; F237-I241 HydrophobicContact CE1-CD1 4.29Å; F237-I241 HydrophobicContact CE1-CG1 3.74Å; F237-I241 HydrophobicContact CZ-CD1 4.05Å; F237-I241 HydrophobicContact CZ-CG1 4.01Å; F237-I241 WeakPolarHBondContact O-CG1 3.48Å; F237-I241 PolarHBondContact O-N 3.45Å |
| 238 | W | 81.8 | Confident | 78.1 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 178.1 | -67.8 | 122.3 | 0 | 0 | 0 | 113.5 | I111 V115 L120 N234 H235 R236 W240 I241 W242 V272 C276 | I111-W238 HydrophobicContact CG2-CH2 4.26Å; I111-W238 HydrophobicContact CG2-CZ3 3.59Å; V115-W238 HydrophobicContact CG2-CH2 3.53Å; V115-W238 HydrophobicContact CG2-CZ3 3.75Å; L120-W238 HydrophobicContact CD1-CH2 3.8Å; L120-W238 HydrophobicContact CD1-CZ2 3.38Å; N234-W238 PolarHBondContact O-N 3.41Å; H235-W238 PolarHBondContact O-N 2.91Å; R236-W238 VanDerWaalsContact C-N 3.33Å; W238-W240 VanDerWaalsContact C-N 3.26Å; W238-W240 PolarHBondContact O-N 3.35Å; W238-I241 HydrophobicContact CE3-CB 4.43Å; W238-I241 HydrophobicContact CE3-CG1 4.37Å; W238-I241 PolarHBondContact O-N 3.32Å; W238-W242 WeakPolarHBondContact O-CB 3.47Å; W238-W242 PolarHBondContact O-N 3.35Å; W238-V272 HydrophobicContact CB-CG1 4.13Å; W238-V272 HydrophobicContact CE3-CG1 4.39Å; W238-V272 HydrophobicContact CE3-CG2 4.49Å; W238-C276 VanDerWaalsContact CB-SG 3.52Å |
| 239 | Q | 76.4 | Confident | 77.7 | Confident | 113 Ų | 113 | 35 Ų | 35 | 53% | 0.528 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.6 | -38 | 170 | -75.8 | 173.1 | -8.5 | 0 | 0 | 111.9 | H235 R236 W242 S243 | H235-Q239 WeakPolarHBondContact O-CB 3.44Å; H235-Q239 VanDerWaalsContact O-CG 3.24Å; H235-Q239 WeakPolarHBondContact O-CG 3.24Å; H235-Q239 PolarHBondContact O-N 3.37Å; R236-Q239 PolarHBondContact O-N 3.12Å; Q239-W242 WeakPolarHBondContact O-CB 3.36Å; Q239-W242 PolarHBondContact O-N 3.41Å; Q239-S243 PolarHBondContact O-N 3.46Å; Q239-S243 VanDerWaalsContact O-N 3.1Å |
| 240 | W | 82.8 | Confident | 76.9 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -46.7 | 175.5 | 176.3 | 75.5 | 0 | 0 | 0 | 111.9 | I7 I11 V31 K35 L107 R236 F237 W238 W242 S243 I244 | I7-W240 HydrophobicContact CG2-CB 4.48Å; I7-W240 VanDerWaalsContact CG2-CD1 3.49Å; I7-W240 HydrophobicContact CG2-CD2 4.03Å; I7-W240 HydrophobicContact CG2-CG 3.77Å; I11-W240 HydrophobicContact CD1-CD2 4.38Å; I11-W240 HydrophobicContact CD1-CE3 4.31Å; I11-W240 HydrophobicContact CD1-CH2 3.74Å; I11-W240 HydrophobicContact CD1-CZ2 3.78Å; I11-W240 HydrophobicContact CD1-CZ3 4Å; I11-W240 HydrophobicContact CG1-CE3 4.34Å; I11-W240 HydrophobicContact CG1-CH2 4.4Å; I11-W240 HydrophobicContact CG1-CZ3 4.17Å; V31-W240 HydrophobicContact CG1-CH2 3.67Å; V31-W240 HydrophobicContact CG1-CZ3 3.92Å; V31-W240 WeakPolarHBondContact O-CH2 3.43Å; K35-W240 HydrophobicContact CB-CZ2 3.85Å; K35-W240 HydrophobicContact CD-CZ2 4.04Å; L107-W240 HydrophobicContact CD2-CH2 4.04Å; L107-W240 HydrophobicContact CD2-CZ3 4.5Å; R236-W240 WeakPolarHBondContact O-CB 3.48Å; R236-W240 PolarHBondContact O-N 3Å; F237-W240 HydrophobicContact CD2-CE3 4.45Å; F237-W240 HydrophobicContact CE2-CE3 4.39Å; F237-W240 HydrophobicContact CE2-CZ3 4.34Å; F237-W240 WeakPolarHBondContact O-CA 2.91Å; F237-W240 WeakPolarHBondContact O-CB 3.5Å; F237-W240 PolarHBondContact O-N 2.91Å; F237-W240 VanDerWaalsContact O-N 3.13Å; W238-W240 VanDerWaalsContact C-N 3.26Å; W238-W240 PolarHBondContact O-N 3.35Å; W240-W242 VanDerWaalsContact C-N 3.27Å; W240-W242 PolarHBondContact O-N 3.45Å; W240-S243 WeakPolarHBondContact O-CB 3.48Å; W240-S243 PolarHBondContact O-N 2.91Å; W240-S243 PolarHBondContact O-OG 3.24Å; W240-I244 HydrophobicContact CD2-CD1 4.13Å; W240-I244 HydrophobicContact CE3-CD1 4.04Å; W240-I244 HydrophobicContact CH2-CD1 3.54Å; W240-I244 HydrophobicContact CZ2-CD1 3.67Å; W240-I244 HydrophobicContact CZ3-CD1 3.75Å; W240-I244 WeakPolarHBondContact O-CG1 3.24Å; W240-I244 PolarHBondContact O-N 3.46Å |
| 241 | I | 81.1 | Confident | 76 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.4 | -44.1 | 172.5 | -69 | -54.5 | 0 | 0 | 0 | 111.1 | I111 F237 W238 S243 I244 L245 | I111-I241 HydrophobicContact CD1-CD1 3.78Å; I111-I241 HydrophobicContact CD1-CG1 4.23Å; I111-I241 HydrophobicContact CG1-CD1 3.83Å; I111-I241 HydrophobicContact CG1-CG1 4.46Å; I111-I241 HydrophobicContact CG2-CG1 4.48Å; I111-I241 HydrophobicContact CG2-CG2 3.94Å; F237-I241 HydrophobicContact CD1-CG1 4.13Å; F237-I241 HydrophobicContact CE1-CD1 4.29Å; F237-I241 HydrophobicContact CE1-CG1 3.74Å; F237-I241 HydrophobicContact CZ-CD1 4.05Å; F237-I241 HydrophobicContact CZ-CG1 4.01Å; F237-I241 WeakPolarHBondContact O-CG1 3.48Å; F237-I241 PolarHBondContact O-N 3.45Å; W238-I241 HydrophobicContact CE3-CB 4.43Å; W238-I241 HydrophobicContact CE3-CG1 4.37Å; W238-I241 PolarHBondContact O-N 3.32Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 3.23Å; I241-I244 HydrophobicContact CD1-CD1 4.07Å; I241-I244 WeakPolarHBondContact O-CA 3.45Å; I241-I244 WeakPolarHBondContact O-CB 3.49Å; I241-I244 PolarHBondContact O-N 2.79Å; I241-L245 HydrophobicContact CG2-CD1 4.37Å; I241-L245 PolarHBondContact O-N 3.31Å; I241-L245 VanDerWaalsContact O-N 3.08Å |
| 242 | W | 74.8 | Confident | 75.3 | Confident | 108 Ų | 108 | 40 Ų | 40 | 41% | 0.409 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.6 | -39 | 176.8 | -174.4 | 74.7 | 0 | 0 | 0 | 112.2 | W238 Q239 W240 I244 L245 I246 I269 V272 | W238-W242 WeakPolarHBondContact O-CB 3.47Å; W238-W242 PolarHBondContact O-N 3.35Å; Q239-W242 WeakPolarHBondContact O-CB 3.36Å; Q239-W242 PolarHBondContact O-N 3.41Å; W240-W242 VanDerWaalsContact C-N 3.27Å; W240-W242 PolarHBondContact O-N 3.45Å; W242-I244 VanDerWaalsContact C-N 3.28Å; W242-I244 PolarHBondContact O-N 2.78Å; W242-L245 WeakPolarHBondContact O-CB 3.48Å; W242-L245 PolarHBondContact O-N 2.89Å; W242-I246 HydrophobicContact CD2-CD1 3.64Å; W242-I246 HydrophobicContact CD2-CG1 4.46Å; W242-I246 HydrophobicContact CE3-CD1 3.54Å; W242-I246 HydrophobicContact CH2-CD1 3.37Å; W242-I246 HydrophobicContact CZ2-CD1 3.45Å; W242-I246 VanDerWaalsContact CZ2-CD1 3.45Å; W242-I246 HydrophobicContact CZ2-CG1 4.34Å; W242-I246 HydrophobicContact CZ3-CD1 3.4Å; W242-I246 VanDerWaalsContact CZ3-CD1 3.4Å; W242-I246 PolarHBondContact O-N 2.95Å; W242-I246 VanDerWaalsContact O-N 3.15Å; W242-I269 VanDerWaalsContact NE1-CG2 3.3Å; W242-V272 HydrophobicContact CB-CG1 4.27Å |
| 243 | S | 80.5 | Confident | 74.4 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 23% | 0.231 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -30.6 | 173.7 | 82 | 0 | 0 | 0 | 0 | 113.7 | K35 Q239 W240 I241 V247 | K35-S243 PolarHBondContact NZ-OG 3.36Å; Q239-S243 PolarHBondContact O-N 3.46Å; Q239-S243 VanDerWaalsContact O-N 3.1Å; W240-S243 WeakPolarHBondContact O-CB 3.48Å; W240-S243 PolarHBondContact O-N 2.91Å; W240-S243 PolarHBondContact O-OG 3.24Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 3.23Å; S243-V247 VanDerWaalsContact O-CG2 3.31Å; S243-V247 WeakPolarHBondContact O-CG2 3.47Å; S243-V247 PolarHBondContact O-N 3.05Å |
| 244 | I | 82 | Confident | 73.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.8 | -40.7 | 176.9 | -52.2 | 178.5 | 0 | 0 | 0 | 109.8 | K35 R104 L107 L108 W240 I241 W242 V247 H248 | K35-I244 HydrophobicContact CB-CD1 3.96Å; K35-I244 HydrophobicContact CB-CG1 4.14Å; K35-I244 HydrophobicContact CD-CD1 4.36Å; K35-I244 HydrophobicContact CD-CG1 3.87Å; K35-I244 HydrophobicContact CG-CD1 4.25Å; K35-I244 HydrophobicContact CG-CG1 3.86Å; R104-I244 HydrophobicContact CG-CG2 3.9Å; L107-I244 HydrophobicContact CD2-CD1 3.7Å; L108-I244 HydrophobicContact CD1-CG2 4.4Å; L108-I244 HydrophobicContact CD2-CB 4.24Å; L108-I244 HydrophobicContact CD2-CG2 3.9Å; L108-I244 HydrophobicContact CG-CG2 4.21Å; W240-I244 HydrophobicContact CD2-CD1 4.13Å; W240-I244 HydrophobicContact CE3-CD1 4.04Å; W240-I244 HydrophobicContact CH2-CD1 3.54Å; W240-I244 HydrophobicContact CZ2-CD1 3.67Å; W240-I244 HydrophobicContact CZ3-CD1 3.75Å; W240-I244 WeakPolarHBondContact O-CG1 3.24Å; W240-I244 PolarHBondContact O-N 3.46Å; I241-I244 HydrophobicContact CD1-CD1 4.07Å; I241-I244 WeakPolarHBondContact O-CA 3.45Å; I241-I244 WeakPolarHBondContact O-CB 3.49Å; I241-I244 PolarHBondContact O-N 2.79Å; W242-I244 VanDerWaalsContact C-N 3.28Å; W242-I244 PolarHBondContact O-N 2.78Å; I244-V247 PolarHBondContact O-N 3.2Å; I244-H248 WeakPolarHBondContact O-CB 3.39Å; I244-H248 PolarHBondContact O-N 3.47Å |
| 245 | L | 77.7 | Confident | 71.9 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 178.7 | -75.9 | 167 | 0 | 0 | 0 | 112.7 | L92 L108 I241 W242 V247 H248 E249 F268 I269 | L92-L245 HydrophobicContact CD1-CD2 3.92Å; L108-L245 HydrophobicContact CD1-CD2 4.1Å; L108-L245 HydrophobicContact CD2-CD2 3.63Å; L108-L245 HydrophobicContact CD2-CG 3.89Å; L108-L245 HydrophobicContact CG-CD2 4.42Å; I241-L245 HydrophobicContact CG2-CD1 4.37Å; I241-L245 PolarHBondContact O-N 3.31Å; I241-L245 VanDerWaalsContact O-N 3.08Å; W242-L245 WeakPolarHBondContact O-CB 3.48Å; W242-L245 PolarHBondContact O-N 2.89Å; L245-V247 VanDerWaalsContact C-N 3.28Å; L245-V247 PolarHBondContact O-N 2.93Å; L245-H248 PolarHBondContact O-N 3.04Å; L245-H248 VanDerWaalsContact O-N 3.11Å; L245-E249 WeakPolarHBondContact O-CB 3.2Å; L245-E249 PolarHBondContact O-N 2.83Å; L245-F268 HydrophobicContact CD1-CD1 3.23Å; L245-F268 HydrophobicContact CD1-CE1 3.31Å; L245-F268 HydrophobicContact CD1-CG 4.28Å; L245-F268 HydrophobicContact CD1-CZ 4.4Å; L245-F268 HydrophobicContact CD2-CD1 3.39Å; L245-F268 HydrophobicContact CD2-CE1 3.52Å; L245-F268 HydrophobicContact CG-CD1 3.86Å; L245-F268 HydrophobicContact CG-CE1 3.82Å; L245-I269 HydrophobicContact CD1-CG1 4.41Å |
| 246 | I | 73.7 | Confident | 70.5 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 178.5 | -67.3 | 163.2 | 0 | 0 | 0 | 111.1 | W242 H248 K250 | W242-I246 HydrophobicContact CD2-CD1 3.64Å; W242-I246 HydrophobicContact CD2-CG1 4.46Å; W242-I246 HydrophobicContact CE3-CD1 3.54Å; W242-I246 HydrophobicContact CH2-CD1 3.37Å; W242-I246 HydrophobicContact CZ2-CD1 3.45Å; W242-I246 VanDerWaalsContact CZ2-CD1 3.45Å; W242-I246 HydrophobicContact CZ2-CG1 4.34Å; W242-I246 HydrophobicContact CZ3-CD1 3.4Å; W242-I246 VanDerWaalsContact CZ3-CD1 3.4Å; W242-I246 PolarHBondContact O-N 2.95Å; W242-I246 VanDerWaalsContact O-N 3.15Å; I246-H248 VanDerWaalsContact C-N 3.34Å; I246-K250 HydrophobicContact CG2-CD 4.31Å; I246-K250 WeakPolarHBondContact O-CG 3.45Å; I246-K250 PolarHBondContact O-N 3.37Å |
| 247 | V | 72.8 | Confident | 68.9 | Low | 61 Ų | 61 | 57.1 Ų | 57.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | S243 I244 L245 N251 | S243-V247 VanDerWaalsContact O-CG2 3.31Å; S243-V247 WeakPolarHBondContact O-CG2 3.47Å; S243-V247 PolarHBondContact O-N 3.05Å; I244-V247 PolarHBondContact O-N 3.2Å; L245-V247 VanDerWaalsContact C-N 3.28Å; L245-V247 PolarHBondContact O-N 2.93Å; V247-N251 PolarHBondContact O-N 2.85Å; V247-N251 PolarHBondContact O-ND2 3.19Å; V247-N251 VanDerWaalsContact O-ND2 3.15Å |
| 248 | H | 72.6 | Confident | 67.2 | Low | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 178.4 | -165.4 | 73.5 | 0 | 0 | 0 | 112.6 | L108 I244 L245 I246 N251 L252 | L108-H248 HydrophobicContact CD1-CB 3.73Å; I244-H248 WeakPolarHBondContact O-CB 3.39Å; I244-H248 PolarHBondContact O-N 3.47Å; L245-H248 PolarHBondContact O-N 3.04Å; L245-H248 VanDerWaalsContact O-N 3.11Å; I246-H248 VanDerWaalsContact C-N 3.34Å; H248-N251 PolarHBondContact O-N 3.35Å; H248-L252 WeakPolarHBondContact CD2-CD1 3.36Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.28Å; H248-L252 WeakPolarHBondContact O-CB 3.34Å; H248-L252 PolarHBondContact O-N 3.28Å |
| 249 | E | 67 | Low | 65.5 | Low | 45 Ų | 45 | 67.9 Ų | 67.9 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.7 | -174.1 | -179.8 | -171.7 | 0 | 0 | 111.3 | L245 N251 L252 A253 S262 A265 | L245-E249 WeakPolarHBondContact O-CB 3.2Å; L245-E249 PolarHBondContact O-N 2.83Å; E249-N251 PolarHBondContact O-N 2.86Å; E249-L252 PolarHBondContact O-N 3.31Å; E249-A253 WeakPolarHBondContact O-CB 3.34Å; E249-A253 PolarHBondContact O-N 3.11Å; E249-S262 PolarHBondContact OE1-OG 2.6Å; E249-A265 HydrophobicContact CG-CB 4.41Å |
| 250 | K | 64.8 | Low | 64 | Low | 130 Ų | 130 | 72.1 Ų | 72.1 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.4 | -46.4 | 174.8 | -73.4 | 177.4 | -179.6 | -174 | 0 | 111.8 | I246 L252 A253 E254 | I246-K250 HydrophobicContact CG2-CD 4.31Å; I246-K250 WeakPolarHBondContact O-CG 3.45Å; I246-K250 PolarHBondContact O-N 3.37Å; K250-L252 VanDerWaalsContact C-N 3.33Å; K250-L252 PolarHBondContact O-N 3.06Å; K250-A253 PolarHBondContact O-N 3.34Å; K250-E254 WeakPolarHBondContact O-CG 3.45Å; K250-E254 PolarHBondContact O-N 2.92Å; K250-E254 VanDerWaalsContact O-N 3.08Å |
| 251 | N | 64.3 | Low | 62.2 | Low | 63 Ų | 63 | 73 Ų | 73 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 177.4 | -63.8 | -23 | 0 | 0 | 0 | 112.6 | R104 V247 H248 E249 T255 | R104-N251 PolarHBondContact NH1-ND2 3.37Å; V247-N251 PolarHBondContact O-N 2.85Å; V247-N251 PolarHBondContact O-ND2 3.19Å; V247-N251 VanDerWaalsContact O-ND2 3.15Å; H248-N251 PolarHBondContact O-N 3.35Å; E249-N251 PolarHBondContact O-N 2.86Å; N251-T255 PolarHBondContact O-N 3.37Å; N251-T255 PolarHBondContact O-OG1 3.3Å |
| 252 | L | 61.2 | Low | 60.8 | Low | 19 Ų | 19 | 75.4 Ų | 75.4 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.4 | -40.2 | 176.6 | -83.5 | 167.8 | 0 | 0 | 0 | 112.4 | L92 H248 E249 K250 E254 T255 L256 V261 | L92-L252 HydrophobicContact CB-CD1 4.48Å; L92-L252 HydrophobicContact CD2-CD1 3.74Å; H248-L252 WeakPolarHBondContact CD2-CD1 3.36Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.28Å; H248-L252 WeakPolarHBondContact O-CB 3.34Å; H248-L252 PolarHBondContact O-N 3.28Å; E249-L252 PolarHBondContact O-N 3.31Å; K250-L252 VanDerWaalsContact C-N 3.33Å; K250-L252 PolarHBondContact O-N 3.06Å; L252-E254 PolarHBondContact O-N 3.44Å; L252-T255 WeakPolarHBondContact CA-OG1 3.3Å; L252-T255 PolarHBondContact O-N 3.48Å; L252-T255 VanDerWaalsContact O-N 3.11Å; L252-T255 PolarHBondContact O-OG1 2.96Å; L252-L256 CarbonylContact O-C 3.57Å; L252-L256 PolarHBondContact O-N 3.05Å; L252-L256 VanDerWaalsContact O-O 3.14Å; L252-V261 HydrophobicContact CB-CG1 4.27Å; L252-V261 HydrophobicContact CD1-CG1 3.86Å |
| 253 | A | 56.7 | Low | 59.6 | Low | 65 Ų | 65 | 75.1 Ų | 75.1 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -32.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E249 K250 | E249-A253 WeakPolarHBondContact O-CB 3.34Å; E249-A253 PolarHBondContact O-N 3.11Å; K250-A253 PolarHBondContact O-N 3.34Å |
| 254 | E | 54.7 | Low | 58.2 | Low | 162 Ų | 162 | 75 Ų | 75 | 76% | 0.757 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71 | -27.9 | 172.9 | -73 | 172.4 | -167 | 0 | 0 | 113.2 | K250 L252 | K250-E254 WeakPolarHBondContact O-CG 3.45Å; K250-E254 PolarHBondContact O-N 2.92Å; K250-E254 VanDerWaalsContact O-N 3.08Å; L252-E254 PolarHBondContact O-N 3.44Å |
| 255 | T | 51.2 | Low | 56.9 | Low | 98 Ų | 98 | 75.2 Ų | 75.2 | 60% | 0.601 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -103.6 | -29.1 | -174.7 | 42.9 | 0 | 0 | 0 | 0 | 115 | N251 L252 | N251-T255 PolarHBondContact O-N 3.37Å; N251-T255 PolarHBondContact O-OG1 3.3Å; L252-T255 WeakPolarHBondContact CA-OG1 3.3Å; L252-T255 PolarHBondContact O-N 3.48Å; L252-T255 VanDerWaalsContact O-N 3.11Å; L252-T255 PolarHBondContact O-OG1 2.96Å |
| 256 | L | 46.6 | Very low | 55.9 | Low | 90 Ų | 90 | 78.2 Ų | 78.2 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | trans | -144.3 | 108.6 | 174.6 | -82.7 | 102.8 | 0 | 0 | 0 | 110.2 | L252 N258 | L252-L256 CarbonylContact O-C 3.57Å; L252-L256 PolarHBondContact O-N 3.05Å; L252-L256 VanDerWaalsContact O-O 3.14Å; L256-N258 PolarHBondContact O-N 3.34Å | ||
| 257 | P | 42.1 | Very low | 55.2 | Low | 126 Ų | 126 | 82.3 Ų | 82.3 | 82% | 0.818 | 43% | 0.433 | S | S | * | . | trans | -75.7 | 74.2 | 174.5 | 30.8 | -32.6 | 0 | 0 | 0 | 110.2 | ||||
| 258 | N | 45.6 | Very low | 54.6 | Low | 62 Ų | 62 | 79.6 Ų | 79.6 | 33% | 0.332 | 42% | 0.416 | S | S | . | . | trans | -112.1 | 111.6 | 176.4 | -90.7 | -30 | 0 | 0 | 0 | 110.7 | L256 W260 V261 | L256-N258 PolarHBondContact O-N 3.34Å; N258-W260 PolarHBondContact O-N 3.25Å; N258-V261 HydrophobicContact CB-CG2 4.2Å; N258-V261 PolarHBondContact O-N 3.46Å | ||
| 259 | K | 47.7 | Very low | 54 | Low | 180 Ų | 180 | 80.6 Ų | 80.6 | 78% | 0.783 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -48.2 | -29.3 | 174.7 | -77.2 | -178.5 | 175 | 179.1 | 0 | 114 | S262 N263 | K259-S262 PolarHBondContact O-N 2.95Å; K259-N263 PolarHBondContact O-N 2.91Å; K259-N263 VanDerWaalsContact O-N 3.15Å |
| 260 | W | 43.6 | Very low | 53.7 | Low | 202 Ų | 202 | 79.7 Ų | 79.7 | 77% | 0.765 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 179 | -70.9 | 79.9 | 0 | 0 | 0 | 113.2 | N258 S262 N263 S264 | N258-W260 PolarHBondContact O-N 3.25Å; W260-S262 VanDerWaalsContact C-N 3.31Å; W260-S262 PolarHBondContact O-N 3.37Å; W260-N263 PolarHBondContact O-N 3.05Å; W260-S264 PolarHBondContact O-N 3.3Å; W260-S264 PolarHBondContact O-OG 3.1Å |
| 261 | V | 45.8 | Very low | 53.5 | Low | 30 Ų | 30 | 76.2 Ų | 76.2 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | L92 L252 N258 A265 | L92-V261 HydrophobicContact CD2-CG1 3.88Å; L252-V261 HydrophobicContact CB-CG1 4.27Å; L252-V261 HydrophobicContact CD1-CG1 3.86Å; N258-V261 HydrophobicContact CB-CG2 4.2Å; N258-V261 PolarHBondContact O-N 3.46Å; V261-A265 WeakPolarHBondContact O-CB 3.19Å; V261-A265 PolarHBondContact O-N 3.28Å |
| 262 | S | 51.5 | Low | 53.3 | Low | 51 Ų | 51 | 73.3 Ų | 73.3 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 112 | E249 K259 W260 A265 C266 | E249-S262 PolarHBondContact OE1-OG 2.6Å; K259-S262 PolarHBondContact O-N 2.95Å; W260-S262 VanDerWaalsContact C-N 3.31Å; W260-S262 PolarHBondContact O-N 3.37Å; S262-A265 PolarHBondContact O-N 3.03Å; S262-C266 VanDerWaalsContact O-CB 3.31Å; S262-C266 WeakPolarHBondContact O-CB 3.39Å; S262-C266 PolarHBondContact O-N 3.36Å; S262-C266 PolarHBondContact O-SG 3.08Å |
| 263 | N | 50.5 | Low | 53.1 | Low | 103 Ų | 103 | 75.5 Ų | 75.5 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 177.5 | -74 | -4.9 | 0 | 0 | 0 | 112.2 | K259 W260 C266 E267 | K259-N263 PolarHBondContact O-N 2.91Å; K259-N263 VanDerWaalsContact O-N 3.15Å; W260-N263 PolarHBondContact O-N 3.05Å; N263-C266 WeakPolarHBondContact O-CB 3.44Å; N263-C266 PolarHBondContact O-N 3.43Å; N263-E267 PolarHBondContact O-N 2.94Å |
| 264 | S | 50.3 | Low | 53 | Low | 31 Ų | 31 | 80.5 Ų | 80.5 | 22% | 0.217 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -74.3 | -31.7 | 180 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | W260 C266 E267 F268 | W260-S264 PolarHBondContact O-N 3.3Å; W260-S264 PolarHBondContact O-OG 3.1Å; S264-C266 VanDerWaalsContact C-N 3.34Å; S264-E267 PolarHBondContact O-N 3.31Å; S264-F268 PolarHBondContact O-N 3.36Å |
| 265 | A | 55 | Low | 53.1 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.025 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E249 V261 S262 E267 F268 I269 | E249-A265 HydrophobicContact CG-CB 4.41Å; V261-A265 WeakPolarHBondContact O-CB 3.19Å; V261-A265 PolarHBondContact O-N 3.28Å; S262-A265 PolarHBondContact O-N 3.03Å; A265-E267 PolarHBondContact O-N 2.83Å; A265-F268 PolarHBondContact O-N 3.48Å; A265-I269 VanDerWaalsContact O-CB 3.24Å; A265-I269 WeakPolarHBondContact O-CB 3.49Å; A265-I269 WeakPolarHBondContact O-CD1 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.43Å; A265-I269 PolarHBondContact O-N 2.88Å |
| 266 | C | 57.2 | Low | 53.1 | Low | 68 Ų | 68 | 72 Ų | 72 | 46% | 0.459 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 173.1 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | S262 N263 S264 I269 G270 | S262-C266 VanDerWaalsContact O-CB 3.31Å; S262-C266 WeakPolarHBondContact O-CB 3.39Å; S262-C266 PolarHBondContact O-N 3.36Å; S262-C266 PolarHBondContact O-SG 3.08Å; N263-C266 WeakPolarHBondContact O-CB 3.44Å; N263-C266 PolarHBondContact O-N 3.43Å; S264-C266 VanDerWaalsContact C-N 3.34Å; C266-I269 PolarHBondContact O-N 2.87Å; C266-G270 PolarHBondContact O-N 3.02Å |
| 267 | E | 59 | Low | 53.3 | Low | 130 Ų | 130 | 70.9 Ų | 70.9 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 175.3 | -74.9 | -179 | 173.5 | 0 | 0 | 111.8 | N263 S264 A265 G270 L271 | N263-E267 PolarHBondContact O-N 2.94Å; S264-E267 PolarHBondContact O-N 3.31Å; A265-E267 PolarHBondContact O-N 2.83Å; E267-G270 PolarHBondContact O-N 3.2Å; E267-L271 PolarHBondContact O-N 3.11Å |
| 268 | F | 58.7 | Low | 53.8 | Low | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 178.4 | -171.1 | -132.5 | 0 | 0 | 0 | 112.1 | I111 W112 V115 L245 S264 A265 G270 L271 V272 | I111-F268 HydrophobicContact CB-CZ 4.43Å; I111-F268 HydrophobicContact CG2-CZ 3.95Å; W112-F268 HydrophobicContact CE3-CB 4.43Å; W112-F268 AromaticContact CE3-CD2 3.46Å; W112-F268 HydrophobicContact CE3-CD2 3.46Å; W112-F268 VanDerWaalsContact CE3-CD2 3.46Å; W112-F268 AromaticContact CE3-CE2 3.81Å; W112-F268 HydrophobicContact CE3-CE2 3.81Å; W112-F268 HydrophobicContact CE3-CG 4.02Å; W112-F268 HydrophobicContact CZ3-CB 4.17Å; W112-F268 AromaticContact CZ3-CD2 3.75Å; W112-F268 HydrophobicContact CZ3-CD2 3.75Å; W112-F268 HydrophobicContact CZ3-CE2 4.49Å; W112-F268 HydrophobicContact CZ3-CG 4.21Å; V115-F268 HydrophobicContact CB-CE2 4.45Å; V115-F268 HydrophobicContact CG2-CE2 4.43Å; L245-F268 HydrophobicContact CD1-CD1 3.23Å; L245-F268 HydrophobicContact CD1-CE1 3.31Å; L245-F268 HydrophobicContact CD1-CG 4.28Å; L245-F268 HydrophobicContact CD1-CZ 4.4Å; L245-F268 HydrophobicContact CD2-CD1 3.39Å; L245-F268 HydrophobicContact CD2-CE1 3.52Å; L245-F268 HydrophobicContact CG-CD1 3.86Å; L245-F268 HydrophobicContact CG-CE1 3.82Å; S264-F268 PolarHBondContact O-N 3.36Å; A265-F268 PolarHBondContact O-N 3.48Å; F268-G270 VanDerWaalsContact C-N 3.29Å; F268-G270 PolarHBondContact O-N 3.34Å; F268-L271 PolarHBondContact O-N 3.49Å; F268-V272 HydrophobicContact CD2-CG2 4.48Å; F268-V272 HydrophobicContact CE2-CG2 4.27Å; F268-V272 HydrophobicContact CZ-CG2 4.37Å; F268-V272 WeakPolarHBondContact O-CG2 3.42Å; F268-V272 PolarHBondContact O-N 3.28Å |
| 269 | I | 60.5 | Low | 54.1 | Low | 32 Ų | 32 | 68.4 Ų | 68.4 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 171.3 | -73.3 | 165.1 | 0 | 0 | 0 | 110.3 | W242 L245 A265 C266 V272 T273 | W242-I269 VanDerWaalsContact NE1-CG2 3.3Å; L245-I269 HydrophobicContact CD1-CG1 4.41Å; A265-I269 VanDerWaalsContact O-CB 3.24Å; A265-I269 WeakPolarHBondContact O-CB 3.49Å; A265-I269 WeakPolarHBondContact O-CD1 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.43Å; A265-I269 PolarHBondContact O-N 2.88Å; C266-I269 PolarHBondContact O-N 2.87Å; I269-V272 PolarHBondContact O-N 2.86Å; I269-T273 VanDerWaalsContact O-CB 3.27Å; I269-T273 WeakPolarHBondContact O-CB 3.46Å; I269-T273 PolarHBondContact O-N 3.1Å; I269-T273 PolarHBondContact O-OG1 3.38Å |
| 270 | G | 60.4 | Low | 54.2 | Low | 26 Ų | 26 | 63 Ų | 63 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C266 E267 F268 R274 | C266-G270 PolarHBondContact O-N 3.02Å; E267-G270 PolarHBondContact O-N 3.2Å; F268-G270 VanDerWaalsContact C-N 3.29Å; F268-G270 PolarHBondContact O-N 3.34Å; G270-R274 WeakPolarHBondContact O-CB 3.32Å; G270-R274 WeakPolarHBondContact O-CG 3.36Å; G270-R274 PolarHBondContact O-N 3.1Å; G270-R274 PolarHBondContact O-NE 3.24Å |
| 271 | L | 61.2 | Low | 54.4 | Low | 57 Ų | 57 | 59.2 Ų | 59.2 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 172.4 | -76.4 | 167.1 | 0 | 0 | 0 | 111.6 | V115 E267 F268 T273 R274 L275 | V115-L271 HydrophobicContact CG1-CB 4.49Å; E267-L271 PolarHBondContact O-N 3.11Å; F268-L271 PolarHBondContact O-N 3.49Å; L271-T273 VanDerWaalsContact C-N 3.31Å; L271-T273 PolarHBondContact O-N 3.4Å; L271-R274 PolarHBondContact O-N 2.87Å; L271-L275 WeakPolarHBondContact O-CG 3.24Å; L271-L275 PolarHBondContact O-N 3.33Å |
| 272 | V | 59.1 | Low | 54.4 | Low | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | W238 W242 F268 I269 L275 C276 | W238-V272 HydrophobicContact CB-CG1 4.13Å; W238-V272 HydrophobicContact CE3-CG1 4.39Å; W238-V272 HydrophobicContact CE3-CG2 4.49Å; W242-V272 HydrophobicContact CB-CG1 4.27Å; F268-V272 HydrophobicContact CD2-CG2 4.48Å; F268-V272 HydrophobicContact CE2-CG2 4.27Å; F268-V272 HydrophobicContact CZ-CG2 4.37Å; F268-V272 WeakPolarHBondContact O-CG2 3.42Å; F268-V272 PolarHBondContact O-N 3.28Å; I269-V272 PolarHBondContact O-N 2.86Å; V272-L275 PolarHBondContact O-N 3.17Å; V272-C276 PolarHBondContact O-N 3.25Å; V272-C276 PolarHBondContact O-SG 3.31Å; V272-C276 VanDerWaalsContact O-SG 3.34Å |
| 273 | T | 56.9 | Low | 54.3 | Low | 66 Ų | 66 | 62.1 Ų | 62.1 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | I269 L271 L275 C276 S277 | I269-T273 VanDerWaalsContact O-CB 3.27Å; I269-T273 WeakPolarHBondContact O-CB 3.46Å; I269-T273 PolarHBondContact O-N 3.1Å; I269-T273 PolarHBondContact O-OG1 3.38Å; L271-T273 VanDerWaalsContact C-N 3.31Å; L271-T273 PolarHBondContact O-N 3.4Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 3.17Å; T273-C276 WeakPolarHBondContact O-CB 3.36Å; T273-C276 PolarHBondContact O-N 2.8Å; T273-S277 PolarHBondContact O-N 3.04Å; T273-S277 PolarHBondContact O-OG 2.61Å; T273-S277 VanDerWaalsContact O-OG 3.11Å |
| 274 | R | 55.7 | Low | 54.4 | Low | 169 Ų | 169 | 62.8 Ų | 62.8 | 64% | 0.638 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 174.7 | -79.4 | -176.3 | -73.4 | 177.9 | -4.6 | 112.2 | G270 L271 S277 S278 | G270-R274 WeakPolarHBondContact O-CB 3.32Å; G270-R274 WeakPolarHBondContact O-CG 3.36Å; G270-R274 PolarHBondContact O-N 3.1Å; G270-R274 PolarHBondContact O-NE 3.24Å; L271-R274 PolarHBondContact O-N 2.87Å; R274-S277 PolarHBondContact O-N 3.47Å; R274-S278 WeakPolarHBondContact O-CB 3.22Å; R274-S278 PolarHBondContact O-N 3.22Å |
| 275 | L | 56.3 | Low | 54.1 | Low | 60 Ų | 60 | 65.8 Ų | 65.8 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.3 | -72.9 | 168.9 | 0 | 0 | 0 | 111.6 | V115 L271 V272 T273 S277 S278 M279 | V115-L275 HydrophobicContact CG1-CD1 4.29Å; V115-L275 HydrophobicContact CG2-CD1 4.41Å; L271-L275 WeakPolarHBondContact O-CG 3.24Å; L271-L275 PolarHBondContact O-N 3.33Å; V272-L275 PolarHBondContact O-N 3.17Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 3.17Å; L275-S277 PolarHBondContact O-N 3.31Å; L275-S278 PolarHBondContact O-N 2.82Å; L275-M279 WeakPolarHBondContact O-CB 3.43Å; L275-M279 VanDerWaalsContact O-CG 3.28Å; L275-M279 WeakPolarHBondContact O-CG 3.44Å; L275-M279 PolarHBondContact O-N 3.42Å; L275-M279 VanDerWaalsContact O-N 3.09Å |
| 276 | C | 51.1 | Low | 53.8 | Low | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 174.8 | -74.4 | 0 | 0 | 0 | 0 | 112.3 | W238 V272 T273 M279 S280 | W238-C276 VanDerWaalsContact CB-SG 3.52Å; V272-C276 PolarHBondContact O-N 3.25Å; V272-C276 PolarHBondContact O-SG 3.31Å; V272-C276 VanDerWaalsContact O-SG 3.34Å; T273-C276 WeakPolarHBondContact O-CB 3.36Å; T273-C276 PolarHBondContact O-N 2.8Å; C276-M279 PolarHBondContact O-N 2.89Å; C276-S280 WeakPolarHBondContact O-CB 3.27Å; C276-S280 PolarHBondContact O-N 3.31Å |
| 277 | S | 51.8 | Low | 53.5 | Low | 66 Ų | 66 | 67.9 Ų | 67.9 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -47.5 | -179.4 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | T273 R274 L275 M279 S280 H281 | T273-S277 PolarHBondContact O-N 3.04Å; T273-S277 PolarHBondContact O-OG 2.61Å; T273-S277 VanDerWaalsContact O-OG 3.11Å; R274-S277 PolarHBondContact O-N 3.47Å; L275-S277 PolarHBondContact O-N 3.31Å; S277-M279 VanDerWaalsContact C-N 3.26Å; S277-M279 PolarHBondContact O-N 2.91Å; S277-S280 PolarHBondContact O-N 3.26Å; S277-S280 PolarHBondContact O-OG 3.26Å; S277-H281 PolarHBondContact O-N 2.81Å; S277-H281 VanDerWaalsContact O-N 3.12Å |
| 278 | S | 51.7 | Low | 53.1 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | R274 L275 H281 F282 | R274-S278 WeakPolarHBondContact O-CB 3.22Å; R274-S278 PolarHBondContact O-N 3.22Å; L275-S278 PolarHBondContact O-N 2.82Å; S278-H281 WeakPolarHBondContact O-CB 3.17Å; S278-H281 PolarHBondContact O-N 3.28Å; S278-F282 PolarHBondContact O-N 3.48Å |
| 279 | M | 52.2 | Low | 52.6 | Low | 64 Ų | 64 | 69.6 Ų | 69.6 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.7 | -33.1 | 179.6 | -66.8 | -63.5 | 140.4 | 0 | 0 | 113.5 | N234 L275 C276 S277 H281 F282 K283 | N234-M279 PolarHBondContact ND2-SD 3.12Å; N234-M279 VanDerWaalsContact ND2-SD 3.38Å; L275-M279 WeakPolarHBondContact O-CB 3.43Å; L275-M279 VanDerWaalsContact O-CG 3.28Å; L275-M279 WeakPolarHBondContact O-CG 3.44Å; L275-M279 PolarHBondContact O-N 3.42Å; L275-M279 VanDerWaalsContact O-N 3.09Å; C276-M279 PolarHBondContact O-N 2.89Å; S277-M279 VanDerWaalsContact C-N 3.26Å; S277-M279 PolarHBondContact O-N 2.91Å; M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.37Å; M279-F282 PolarHBondContact O-N 2.94Å; M279-K283 PolarHBondContact O-N 3.34Å |
| 280 | S | 49.3 | Very low | 52 | Low | 65 Ų | 65 | 69.3 Ų | 69.3 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 173.5 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | C276 S277 K283 V284 | C276-S280 WeakPolarHBondContact O-CB 3.27Å; C276-S280 PolarHBondContact O-N 3.31Å; S277-S280 PolarHBondContact O-N 3.26Å; S277-S280 PolarHBondContact O-OG 3.26Å; S280-K283 PolarHBondContact O-N 2.99Å; S280-V284 WeakPolarHBondContact O-CG2 3.19Å; S280-V284 PolarHBondContact O-N 3.37Å |
| 281 | H | 47.2 | Very low | 51.6 | Low | 123 Ų | 123 | 72.7 Ų | 72.7 | 57% | 0.569 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.1 | -49.8 | 173.9 | -169.2 | -84.6 | 0 | 0 | 0 | 111.1 | S277 S278 M279 K283 V284 E285 | S277-H281 PolarHBondContact O-N 2.81Å; S277-H281 VanDerWaalsContact O-N 3.12Å; S278-H281 WeakPolarHBondContact O-CB 3.17Å; S278-H281 PolarHBondContact O-N 3.28Å; M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.37Å; H281-K283 VanDerWaalsContact C-N 3.33Å; H281-K283 PolarHBondContact O-N 3.03Å; H281-V284 PolarHBondContact O-N 3.28Å; H281-E285 IonicContact CE1-OE2 3.35Å; H281-E285 PolarHBondContact CE1-OE2 3.45Å; H281-E285 IonicContact ND1-OE2 2.7Å; H281-E285 PolarHBondContact ND1-OE2 3.32Å; H281-E285 WeakPolarHBondContact O-CB 3.28Å; H281-E285 PolarHBondContact O-N 3.27Å |
| 282 | F | 46.4 | Very low | 50.9 | Low | 54 Ų | 54 | 75.8 Ų | 75.8 | 24% | 0.237 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 177.6 | -171.3 | -86.9 | 0 | 0 | 0 | 112.3 | S278 M279 V284 E285 Y286 | S278-F282 PolarHBondContact O-N 3.48Å; M279-F282 PolarHBondContact O-N 2.94Å; F282-V284 VanDerWaalsContact C-N 3.32Å; F282-V284 PolarHBondContact O-N 3.02Å; F282-E285 PolarHBondContact O-N 2.98Å; F282-Y286 HydrophobicContact CB-CD2 4.33Å; F282-Y286 AromaticContact CD1-CD2 3.87Å; F282-Y286 HydrophobicContact CD1-CD2 3.87Å; F282-Y286 AromaticContact CD2-CD2 3.27Å; F282-Y286 HydrophobicContact CD2-CD2 3.27Å; F282-Y286 AromaticContact CD2-CE2 3.27Å; F282-Y286 HydrophobicContact CD2-CE2 3.27Å; F282-Y286 HydrophobicContact CD2-CG 4.48Å; F282-Y286 AromaticContact CE1-CD2 3.86Å; F282-Y286 HydrophobicContact CE1-CD2 3.86Å; F282-Y286 HydrophobicContact CE1-CG 4.37Å; F282-Y286 AromaticContact CE2-CD2 3.25Å; F282-Y286 HydrophobicContact CE2-CD2 3.25Å; F282-Y286 AromaticContact CE2-CE2 3.34Å; F282-Y286 HydrophobicContact CE2-CE2 3.34Å; F282-Y286 HydrophobicContact CE2-CG 4.15Å; F282-Y286 AromaticContact CG-CD2 3.58Å; F282-Y286 HydrophobicContact CG-CD2 3.58Å; F282-Y286 AromaticContact CG-CE2 3.97Å; F282-Y286 HydrophobicContact CG-CE2 3.97Å; F282-Y286 AromaticContact CZ-CD2 3.55Å; F282-Y286 HydrophobicContact CZ-CD2 3.55Å; F282-Y286 HydrophobicContact CZ-CE2 4.1Å; F282-Y286 HydrophobicContact CZ-CG 4.08Å; F282-Y286 WeakPolarHBondContact O-CD2 3.23Å; F282-Y286 PolarHBondContact O-N 2.97Å |
| 283 | K | 49.8 | Very low | 50.3 | Low | 89 Ų | 89 | 77 Ų | 77 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | -179.2 | -170.4 | 177.5 | -178.2 | 176.2 | 0 | 113.2 | M279 S280 H281 S287 | M279-K283 PolarHBondContact O-N 3.34Å; S280-K283 PolarHBondContact O-N 2.99Å; H281-K283 VanDerWaalsContact C-N 3.33Å; H281-K283 PolarHBondContact O-N 3.03Å; K283-S287 PolarHBondContact O-N 2.86Å |
| 284 | V | 52.9 | Low | 50 | Low | 117 Ų | 117 | 80.1 Ų | 80.1 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71.1 | -47.5 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | S280 H281 F282 Y286 S287 | S280-V284 WeakPolarHBondContact O-CG2 3.19Å; S280-V284 PolarHBondContact O-N 3.37Å; H281-V284 PolarHBondContact O-N 3.28Å; F282-V284 VanDerWaalsContact C-N 3.32Å; F282-V284 PolarHBondContact O-N 3.02Å; V284-Y286 PolarHBondContact O-N 3Å; V284-S287 PolarHBondContact O-OG 2.9Å |
| 285 | E | 44.2 | Very low | 49.5 | Very low | 94 Ų | 94 | 76.6 Ų | 76.6 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | -174.5 | -165.9 | 169.8 | -172.5 | 0 | 0 | 113 | H281 F282 H288 | H281-E285 IonicContact CE1-OE2 3.35Å; H281-E285 PolarHBondContact CE1-OE2 3.45Å; H281-E285 IonicContact ND1-OE2 2.7Å; H281-E285 PolarHBondContact ND1-OE2 3.32Å; H281-E285 WeakPolarHBondContact O-CB 3.28Å; H281-E285 PolarHBondContact O-N 3.27Å; F282-E285 PolarHBondContact O-N 2.98Å; E285-H288 PolarHBondContact O-CE1 3.26Å |
| 286 | Y | 48.4 | Very low | 49.2 | Very low | 56 Ų | 56 | 74.8 Ų | 74.8 | 22% | 0.22 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 20.9 | -172.2 | -54 | -70.7 | 0 | 0 | 0 | 114.6 | F282 V284 H288 I289 | F282-Y286 HydrophobicContact CB-CD2 4.33Å; F282-Y286 AromaticContact CD1-CD2 3.87Å; F282-Y286 HydrophobicContact CD1-CD2 3.87Å; F282-Y286 AromaticContact CD2-CD2 3.27Å; F282-Y286 HydrophobicContact CD2-CD2 3.27Å; F282-Y286 AromaticContact CD2-CE2 3.27Å; F282-Y286 HydrophobicContact CD2-CE2 3.27Å; F282-Y286 HydrophobicContact CD2-CG 4.48Å; F282-Y286 AromaticContact CE1-CD2 3.86Å; F282-Y286 HydrophobicContact CE1-CD2 3.86Å; F282-Y286 HydrophobicContact CE1-CG 4.37Å; F282-Y286 AromaticContact CE2-CD2 3.25Å; F282-Y286 HydrophobicContact CE2-CD2 3.25Å; F282-Y286 AromaticContact CE2-CE2 3.34Å; F282-Y286 HydrophobicContact CE2-CE2 3.34Å; F282-Y286 HydrophobicContact CE2-CG 4.15Å; F282-Y286 AromaticContact CG-CD2 3.58Å; F282-Y286 HydrophobicContact CG-CD2 3.58Å; F282-Y286 AromaticContact CG-CE2 3.97Å; F282-Y286 HydrophobicContact CG-CE2 3.97Å; F282-Y286 AromaticContact CZ-CD2 3.55Å; F282-Y286 HydrophobicContact CZ-CD2 3.55Å; F282-Y286 HydrophobicContact CZ-CE2 4.1Å; F282-Y286 HydrophobicContact CZ-CG 4.08Å; F282-Y286 WeakPolarHBondContact O-CD2 3.23Å; F282-Y286 PolarHBondContact O-N 2.97Å; V284-Y286 PolarHBondContact O-N 3Å; Y286-H288 VanDerWaalsContact C-N 3.27Å; Y286-H288 PolarHBondContact O-N 2.94Å; Y286-I289 HydrophobicContact CD1-CD1 4.04Å; Y286-I289 WeakPolarHBondContact O-CB 3.44Å; Y286-I289 PolarHBondContact O-N 2.69Å; Y286-I289 VanDerWaalsContact O-N 3.1Å |
| 287 | S | 50.5 | Low | 48.9 | Very low | 59 Ų | 59 | 79.2 Ų | 79.2 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -53.7 | -38.7 | -179.6 | 51 | 0 | 0 | 0 | 0 | 114.2 | K283 V284 I289 L290 D291 | K283-S287 PolarHBondContact O-N 2.86Å; V284-S287 PolarHBondContact O-OG 2.9Å; S287-I289 VanDerWaalsContact C-N 3.28Å; S287-I289 PolarHBondContact O-N 2.9Å; S287-L290 PolarHBondContact O-N 3.05Å; S287-D291 PolarHBondContact O-N 2.95Å |
| 288 | H | 50.4 | Low | 48.8 | Very low | 117 Ų | 117 | 76.8 Ų | 76.8 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 178.5 | 59.1 | -78.9 | 0 | 0 | 0 | 113.6 | E285 Y286 | E285-H288 PolarHBondContact O-CE1 3.26Å; Y286-H288 VanDerWaalsContact C-N 3.27Å; Y286-H288 PolarHBondContact O-N 2.94Å |
| 289 | I | 48.2 | Very low | 48.5 | Very low | 51 Ų | 51 | 80.5 Ų | 80.5 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.5 | -35.9 | 179.6 | -61.6 | -178.1 | 0 | 0 | 0 | 111.5 | Y286 S287 D291 L327 | Y286-I289 HydrophobicContact CD1-CD1 4.04Å; Y286-I289 WeakPolarHBondContact O-CB 3.44Å; Y286-I289 PolarHBondContact O-N 2.69Å; Y286-I289 VanDerWaalsContact O-N 3.1Å; S287-I289 VanDerWaalsContact C-N 3.28Å; S287-I289 PolarHBondContact O-N 2.9Å; I289-D291 VanDerWaalsContact C-N 3.31Å; I289-L327 HydrophobicContact CG2-CB 4.38Å; I289-L327 HydrophobicContact CG2-CD1 3.97Å; I289-L327 HydrophobicContact CG2-CD2 3.32Å; I289-L327 HydrophobicContact CG2-CG 4.04Å |
| 290 | L | 47.9 | Very low | 48.1 | Very low | 27 Ų | 27 | 84.3 Ų | 84.3 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -75.2 | -19.8 | -179.1 | -69.1 | 170.6 | 0 | 0 | 0 | 113 | E232 S287 T293 | E232-L290 HydrophobicContact CG-CD2 4.21Å; S287-L290 PolarHBondContact O-N 3.05Å; L290-T293 PolarHBondContact O-OG1 3.04Å |
| 291 | D | 51.5 | Low | 47.9 | Very low | 97 Ų | 97 | 84.1 Ų | 84.1 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -79.6 | -30 | 177.5 | -77.8 | -31.8 | 0 | 0 | 0 | 112.4 | S287 I289 K294 | S287-D291 PolarHBondContact O-N 2.95Å; I289-D291 VanDerWaalsContact C-N 3.31Å; D291-K294 IonicContact OD1-NZ 3.74Å; D291-K294 PolarHBondContact OD1-NZ 3Å |
| 292 | D | 47.7 | Very low | 47.6 | Very low | 122 Ų | 122 | 83.8 Ų | 83.8 | 65% | 0.652 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.4 | -33.2 | 177.2 | -76.5 | -16.1 | 0 | 0 | 0 | 113 | K294 S295 | D292-K294 VanDerWaalsContact C-N 3.26Å; D292-K294 PolarHBondContact O-N 3.1Å; D292-S295 PolarHBondContact O-N 2.81Å; D292-S295 PolarHBondContact O-OG 2.83Å |
| 293 | T | 46.5 | Very low | 47.5 | Very low | 25 Ų | 25 | 87.3 Ų | 87.3 | 15% | 0.153 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -68.4 | -19.3 | -178.4 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | L228 L290 S295 S296 L327 | L228-T293 HydrophobicContact CD1-CG2 4.1Å; L290-T293 PolarHBondContact O-OG1 3.04Å; T293-S295 PolarHBondContact O-N 2.69Å; T293-S296 PolarHBondContact O-N 3.4Å; T293-L327 HydrophobicContact CG2-CD1 3.25Å |
| 294 | K | 49.7 | Very low | 46.9 | Very low | 132 Ų | 132 | 86.1 Ų | 86.1 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.4 | 176.2 | -70 | 172.4 | -171.6 | 152.4 | 0 | 112.3 | D291 D292 S296 | D291-K294 IonicContact OD1-NZ 3.74Å; D291-K294 PolarHBondContact OD1-NZ 3Å; D292-K294 VanDerWaalsContact C-N 3.26Å; D292-K294 PolarHBondContact O-N 3.1Å; K294-S296 PolarHBondContact O-N 3.42Å |
| 295 | S | 46.4 | Very low | 46.5 | Very low | 95 Ų | 95 | 89.5 Ų | 89.5 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -93.7 | 35.2 | 179.5 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | D292 T293 P297 | D292-S295 PolarHBondContact O-N 2.81Å; D292-S295 PolarHBondContact O-OG 2.83Å; T293-S295 PolarHBondContact O-N 2.69Å; S295-P297 VanDerWaalsContact O-CD 3.31Å; S295-P297 WeakPolarHBondContact O-CD 3.39Å |
| 296 | S | 49.8 | Very low | 46.4 | Very low | 23 Ų | 23 | 91.9 Ų | 91.9 | 16% | 0.161 | 49% | 0.491 | C | S | . | . | trans | -63.4 | 123.4 | 174.2 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | T293 K294 C298 E320 | T293-S296 PolarHBondContact O-N 3.4Å; K294-S296 PolarHBondContact O-N 3.42Å; S296-C298 VanDerWaalsContact C-N 3.27Å; S296-C298 PolarHBondContact O-N 3.34Å; S296-C298 PolarHBondContact OG-N 3.26Å; S296-E320 PolarHBondContact OG-OE1 3.33Å | ||
| 297 | P | 45.1 | Very low | 46.1 | Very low | 114 Ų | 114 | 93 Ų | 93 | 74% | 0.74 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.6 | 177.1 | 27.2 | -31.3 | 0 | 0 | 0 | 113.8 | S295 | S295-P297 VanDerWaalsContact O-CD 3.31Å; S295-P297 WeakPolarHBondContact O-CD 3.39Å |
| 298 | C | 47.9 | Very low | 46.1 | Very low | 16 Ų | 16 | 98.5 Ų | 98.5 | 11% | 0.108 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 0.5 | -164.6 | -61.7 | 0 | 0 | 0 | 0 | 115.9 | S296 N300 F301 E320 | S296-C298 VanDerWaalsContact C-N 3.27Å; S296-C298 PolarHBondContact O-N 3.34Å; S296-C298 PolarHBondContact OG-N 3.26Å; C298-N300 PolarHBondContact O-N 3.26Å; C298-F301 HydrophobicContact CB-CD2 3.82Å; C298-F301 HydrophobicContact CB-CE2 3.87Å; C298-F301 PolarHBondContact O-N 3.03Å; C298-E320 WeakPolarHBondContact CB-OE2 3.27Å; C298-E320 PolarHBondContact SG-OE2 2.9Å |
| 299 | K | 46.1 | Very low | 46.2 | Very low | 151 Ų | 151 | 94.3 Ų | 94.3 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.2 | -175.3 | -76.3 | -178.1 | 178.7 | 170.5 | 0 | 115.1 | ||
| 300 | N | 43.5 | Very low | 46.7 | Very low | 144 Ų | 144 | 95.8 Ų | 95.8 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 19.9 | -170.6 | -63.9 | -17.9 | 0 | 0 | 0 | 114.7 | C298 T302 | C298-N300 PolarHBondContact O-N 3.26Å; N300-T302 PolarHBondContact O-N 3.43Å |
| 301 | F | 45.4 | Very low | 47.1 | Very low | 61 Ų | 61 | 95.8 Ų | 95.8 | 27% | 0.268 | 52% | 0.517 | S | S | . | . | trans | -74.3 | 71.5 | 170.6 | -72 | -70.8 | 0 | 0 | 0 | 111 | C298 L303 F307 | C298-F301 HydrophobicContact CB-CD2 3.82Å; C298-F301 HydrophobicContact CB-CE2 3.87Å; C298-F301 PolarHBondContact O-N 3.03Å; F301-L303 PolarHBondContact O-N 3.15Å; F301-F307 AromaticContact CD1-CE1 3.87Å; F301-F307 HydrophobicContact CD1-CE1 3.87Å; F301-F307 HydrophobicContact CD1-CE2 4.38Å; F301-F307 AromaticContact CD1-CZ 3.6Å; F301-F307 HydrophobicContact CD1-CZ 3.6Å; F301-F307 AromaticContact CE1-CE1 3.76Å; F301-F307 HydrophobicContact CE1-CE1 3.76Å; F301-F307 HydrophobicContact CE1-CZ 4.01Å | ||
| 302 | T | 40.8 | Very low | 47.5 | Very low | 116 Ų | 116 | 96 Ų | 96 | 71% | 0.712 | 52% | 0.518 | S | S | * | . | trans | -64.2 | 122.5 | 152 | 38.6 | 0 | 0 | 0 | 0 | 106.7 | N300 S304 | N300-T302 PolarHBondContact O-N 3.43Å; T302-S304 PolarHBondContact O-N 3.25Å | ||
| 303 | L | 43.8 | Very low | 48.2 | Very low | 127 Ų | 127 | 90.7 Ų | 90.7 | 67% | 0.665 | 49% | 0.49 | S | S | * | . | trans | -59.6 | 76.1 | 173.9 | -73.3 | 160.8 | 0 | 0 | 0 | 109.9 | F301 | F301-L303 PolarHBondContact O-N 3.15Š| ||
| 304 | S | 38 | Very low | 49.1 | Very low | 64 Ų | 64 | 89.6 Ų | 89.6 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | trans | -78.2 | 135.5 | 163.8 | 61.6 | 0 | 0 | 0 | 0 | 107.7 | T302 N306 F307 | T302-S304 PolarHBondContact O-N 3.25Å; S304-N306 PolarHBondContact O-N 3.35Å; S304-F307 WeakPolarHBondContact O-CD2 3.32Å; S304-F307 WeakPolarHBondContact OG-CE2 3.44Å | ||
| 305 | E | 45.2 | Very low | 49.7 | Very low | 189 Ų | 189 | 83.6 Ų | 83.6 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -62 | -2.4 | -175.1 | -65.5 | -179.7 | 147.9 | 0 | 0 | 114.9 | ||
| 306 | N | 41.9 | Very low | 50.5 | Low | 144 Ų | 144 | 81.7 Ų | 81.7 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | trans | -110.1 | 41.5 | -172.4 | -70.9 | -7.4 | 0 | 0 | 0 | 114.5 | S304 | S304-N306 PolarHBondContact O-N 3.35Š| ||
| 307 | F | 42.7 | Very low | 51.2 | Low | 78 Ų | 78 | 80.9 Ų | 80.9 | 34% | 0.342 | 44% | 0.438 | S | S | . | . | trans | -86.4 | 125.6 | 168.1 | -75.6 | -78.9 | 0 | 0 | 0 | 110.6 | F301 S304 S309 I313 | F301-F307 AromaticContact CD1-CE1 3.87Å; F301-F307 HydrophobicContact CD1-CE1 3.87Å; F301-F307 HydrophobicContact CD1-CE2 4.38Å; F301-F307 AromaticContact CD1-CZ 3.6Å; F301-F307 HydrophobicContact CD1-CZ 3.6Å; F301-F307 AromaticContact CE1-CE1 3.76Å; F301-F307 HydrophobicContact CE1-CE1 3.76Å; F301-F307 HydrophobicContact CE1-CZ 4.01Å; S304-F307 WeakPolarHBondContact O-CD2 3.32Å; S304-F307 WeakPolarHBondContact OG-CE2 3.44Å; F307-S309 VanDerWaalsContact C-N 3.25Å; F307-S309 PolarHBondContact O-N 2.96Å; F307-I313 HydrophobicContact CB-CD1 3.77Å; F307-I313 HydrophobicContact CB-CG1 4.47Å; F307-I313 HydrophobicContact CD1-CD1 4.07Å; F307-I313 HydrophobicContact CD1-CG1 4.33Å; F307-I313 HydrophobicContact CD2-CD1 3.64Å; F307-I313 HydrophobicContact CE2-CD1 4.25Å; F307-I313 HydrophobicContact CG-CD1 3.55Å; F307-I313 HydrophobicContact CG-CG1 4.27Å | ||
| 308 | N | 48.7 | Very low | 52.1 | Low | 175 Ų | 175 | 76.6 Ų | 76.6 | 94% | 0.936 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -72.1 | -8.1 | -173.2 | -81.3 | -8.9 | 0 | 0 | 0 | 115.4 | ||
| 309 | S | 53.9 | Low | 53 | Low | 30 Ų | 30 | 82 Ų | 82 | 21% | 0.21 | 43% | 0.429 | C | S | . | . | trans | -151.9 | 127.5 | 155.7 | 89.4 | 0 | 0 | 0 | 0 | 108.4 | F307 E311 D312 | F307-S309 VanDerWaalsContact C-N 3.25Å; F307-S309 PolarHBondContact O-N 2.96Å; S309-E311 PolarHBondContact O-N 2.8Å; S309-D312 PolarHBondContact O-N 3.3Å; S309-D312 WeakPolarHBondContact OG-CB 3.44Å; S309-D312 PolarHBondContact OG-N 3.44Å; S309-D312 PolarHBondContact OG-OD2 3.42Å | ||
| 310 | T | 58.4 | Low | 53.9 | Low | 82 Ų | 82 | 75.8 Ų | 75.8 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.1 | -25.9 | 171.5 | 37.4 | 0 | 0 | 0 | 0 | 111.7 | F210 | F210-T310 VanDerWaalsContact CE1-CB 3.43Å; F210-T310 HydrophobicContact CE1-CG2 3.77Å; F210-T310 HydrophobicContact CZ-CG2 4.47Å; F210-T310 WeakPolarHBondContact CZ-O 3.31Å |
| 311 | E | 56.6 | Low | 55 | Low | 27 Ų | 27 | 68.9 Ų | 68.9 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | -178.6 | -166.7 | 169.2 | -171.4 | 0 | 0 | 114.1 | T193 L196 S309 I313 L314 S315 | T193-E311 WeakPolarHBondContact CA-OE1 3.48Å; T193-E311 WeakPolarHBondContact CB-OE1 3.36Å; T193-E311 VanDerWaalsContact CG2-CD 3.41Å; T193-E311 WeakPolarHBondContact CG2-OE1 3.28Å; T193-E311 WeakPolarHBondContact CG2-OE2 3.2Å; L196-E311 HydrophobicContact CD1-CB 4.46Å; L196-E311 HydrophobicContact CD1-CG 3.18Å; L196-E311 VanDerWaalsContact CD1-OE1 3.25Å; L196-E311 WeakPolarHBondContact CD1-OE1 3.24Å; S309-E311 PolarHBondContact O-N 2.8Å; E311-I313 VanDerWaalsContact C-N 3.29Å; E311-I313 PolarHBondContact O-N 2.82Å; E311-L314 PolarHBondContact O-N 3.49Å; E311-S315 PolarHBondContact O-N 3.11Å; E311-S315 PolarHBondContact O-OG 3.01Å; E311-S315 VanDerWaalsContact O-OG 3.12Å |
| 312 | D | 59.4 | Low | 55.9 | Low | 102 Ų | 102 | 68.9 Ų | 68.9 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 178.7 | -73.6 | -38.9 | 0 | 0 | 0 | 111.5 | S309 S315 C316 | S309-D312 PolarHBondContact O-N 3.3Å; S309-D312 WeakPolarHBondContact OG-CB 3.44Å; S309-D312 PolarHBondContact OG-N 3.44Å; S309-D312 PolarHBondContact OG-OD2 3.42Å; D312-S315 PolarHBondContact O-N 2.82Å; D312-C316 WeakPolarHBondContact O-CB 3.35Å; D312-C316 PolarHBondContact O-N 3.26Å; D312-C316 PolarHBondContact O-SG 2.89Å; D312-C316 VanDerWaalsContact O-SG 3.39Å |
| 313 | I | 63.3 | Low | 57 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 178.4 | -56.3 | 175.6 | 0 | 0 | 0 | 110.4 | F307 E311 S315 C316 L317 | F307-I313 HydrophobicContact CB-CD1 3.77Å; F307-I313 HydrophobicContact CB-CG1 4.47Å; F307-I313 HydrophobicContact CD1-CD1 4.07Å; F307-I313 HydrophobicContact CD1-CG1 4.33Å; F307-I313 HydrophobicContact CD2-CD1 3.64Å; F307-I313 HydrophobicContact CE2-CD1 4.25Å; F307-I313 HydrophobicContact CG-CD1 3.55Å; F307-I313 HydrophobicContact CG-CG1 4.27Å; E311-I313 VanDerWaalsContact C-N 3.29Å; E311-I313 PolarHBondContact O-N 2.82Å; I313-S315 VanDerWaalsContact C-N 3.31Å; I313-S315 PolarHBondContact O-N 3.36Å; I313-C316 PolarHBondContact O-N 2.83Å; I313-L317 HydrophobicContact CG2-CD1 3.95Å; I313-L317 HydrophobicContact CG2-CG 4.38Å; I313-L317 WeakPolarHBondContact O-CG 3.31Å; I313-L317 PolarHBondContact O-N 3.33Å |
| 314 | L | 63.9 | Low | 57.8 | Low | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | -179 | -173.9 | 62.4 | 0 | 0 | 0 | 110.8 | L196 H200 F210 I214 V217 E311 L317 H318 | L196-L314 HydrophobicContact CD2-CB 4.41Å; L196-L314 HydrophobicContact CD2-CD2 3.41Å; L196-L314 VanDerWaalsContact CD2-CD2 3.41Å; L196-L314 HydrophobicContact CD2-CG 3.76Å; H200-L314 HydrophobicContact CB-CD2 4.22Å; F210-L314 HydrophobicContact CE2-CB 4.41Å; F210-L314 HydrophobicContact CE2-CD2 3.87Å; F210-L314 HydrophobicContact CZ-CB 4.47Å; I214-L314 HydrophobicContact CG1-CD1 4.32Å; V217-L314 HydrophobicContact CG2-CD1 4.27Å; E311-L314 PolarHBondContact O-N 3.49Å; L314-L317 PolarHBondContact O-N 2.98Å; L314-H318 VanDerWaalsContact O-CB 3.26Å; L314-H318 WeakPolarHBondContact O-CB 3.43Å; L314-H318 PolarHBondContact O-N 2.93Å |
| 315 | S | 62.7 | Low | 59.1 | Low | 7 Ų | 7 | 58.9 Ų | 58.9 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.3 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | S195 L196 E311 D312 I313 K319 | S195-S315 PolarHBondContact OG-OG 2.78Å; L196-S315 VanDerWaalsContact CD1-OG 3.32Å; L196-S315 WeakPolarHBondContact CD1-OG 3.26Å; E311-S315 PolarHBondContact O-N 3.11Å; E311-S315 PolarHBondContact O-OG 3.01Å; E311-S315 VanDerWaalsContact O-OG 3.12Å; D312-S315 PolarHBondContact O-N 2.82Å; I313-S315 VanDerWaalsContact C-N 3.31Å; I313-S315 PolarHBondContact O-N 3.36Å; S315-K319 VanDerWaalsContact O-CG 3.3Å; S315-K319 WeakPolarHBondContact O-CG 3.48Å; S315-K319 PolarHBondContact O-N 3.34Å |
| 316 | C | 63.7 | Low | 59.8 | Low | 55 Ų | 55 | 54.1 Ų | 54.1 | 37% | 0.372 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 175.7 | -79 | 0 | 0 | 0 | 0 | 112.3 | D312 I313 H318 K319 E320 | D312-C316 WeakPolarHBondContact O-CB 3.35Å; D312-C316 PolarHBondContact O-N 3.26Å; D312-C316 PolarHBondContact O-SG 2.89Å; D312-C316 VanDerWaalsContact O-SG 3.39Å; I313-C316 PolarHBondContact O-N 2.83Å; C316-H318 VanDerWaalsContact C-N 3.33Å; C316-H318 PolarHBondContact O-N 3.45Å; C316-K319 PolarHBondContact O-N 3.37Å; C316-E320 PolarHBondContact O-N 3.35Å |
| 317 | L | 63.6 | Low | 60.6 | Low | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 177.8 | -71.5 | 172.2 | 0 | 0 | 0 | 112 | I214 V217 Q218 I313 L314 E320 L321 | I214-L317 HydrophobicContact CG2-CD1 4.23Å; V217-L317 HydrophobicContact CG1-CB 3.75Å; Q218-L317 HydrophobicContact CG-CD1 3.62Å; Q218-L317 HydrophobicContact CG-CD2 4.04Å; I313-L317 HydrophobicContact CG2-CD1 3.95Å; I313-L317 HydrophobicContact CG2-CG 4.38Å; I313-L317 WeakPolarHBondContact O-CG 3.31Å; I313-L317 PolarHBondContact O-N 3.33Å; L314-L317 PolarHBondContact O-N 2.98Å; L317-E320 PolarHBondContact O-N 2.82Å; L317-L321 WeakPolarHBondContact O-CB 3.45Å; L317-L321 PolarHBondContact O-N 3.31Å |
| 318 | H | 65.4 | Low | 61.5 | Low | 23 Ų | 23 | 45.9 Ų | 45.9 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.4 | -170.9 | 79.8 | 0 | 0 | 0 | 111.9 | H200 L314 C316 L321 L322 | H200-H318 AromaticContact NE2-CE1 3.84Å; H200-H318 AromaticContact NE2-ND1 3.85Å; L314-H318 VanDerWaalsContact O-CB 3.26Å; L314-H318 WeakPolarHBondContact O-CB 3.43Å; L314-H318 PolarHBondContact O-N 2.93Å; C316-H318 VanDerWaalsContact C-N 3.33Å; C316-H318 PolarHBondContact O-N 3.45Å; H318-L321 PolarHBondContact O-N 3.36Å; H318-L322 WeakPolarHBondContact O-CG 3.26Å; H318-L322 PolarHBondContact O-N 3.43Å |
| 319 | K | 65.1 | Low | 62.1 | Low | 129 Ų | 129 | 42.3 Ų | 42.3 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.9 | -44.4 | 173.8 | -75 | 172.9 | -176.8 | 174.8 | 0 | 111.8 | S315 C316 L322 V323 | S315-K319 VanDerWaalsContact O-CG 3.3Å; S315-K319 WeakPolarHBondContact O-CG 3.48Å; S315-K319 PolarHBondContact O-N 3.34Å; C316-K319 PolarHBondContact O-N 3.37Å; K319-L322 PolarHBondContact O-N 2.87Å; K319-V323 WeakPolarHBondContact O-CG2 3.24Å; K319-V323 PolarHBondContact O-N 3.04Å; K319-V323 VanDerWaalsContact O-N 3.09Å |
| 320 | E | 66.5 | Low | 62.1 | Low | 21 Ų | 21 | 42.6 Ų | 42.6 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 176.6 | -175.7 | 176.4 | -160.6 | 0 | 0 | 111.6 | V221 H225 S296 C298 C316 L317 L322 V323 L324 | V221-E320 HydrophobicContact CG1-CG 4.26Å; H225-E320 IonicContact CD2-OE1 3.73Å; H225-E320 IonicContact CE1-OE1 3.75Å; H225-E320 PolarHBondContact CE1-OE1 3.19Å; H225-E320 IonicContact NE2-OE1 2.89Å; H225-E320 PolarHBondContact NE2-OE1 2.59Å; S296-E320 PolarHBondContact OG-OE1 3.33Å; C298-E320 WeakPolarHBondContact CB-OE2 3.27Å; C298-E320 PolarHBondContact SG-OE2 2.9Å; C316-E320 PolarHBondContact O-N 3.35Å; L317-E320 PolarHBondContact O-N 2.82Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 2.85Å; E320-V323 PolarHBondContact O-N 3.34Å; E320-L324 HydrophobicContact CG-CD1 3.79Å; E320-L324 HydrophobicContact CG-CG 4.18Å; E320-L324 WeakPolarHBondContact O-CB 2.86Å; E320-L324 VanDerWaalsContact O-CG 3.24Å; E320-L324 WeakPolarHBondContact O-CG 3.38Å; E320-L324 PolarHBondContact O-N 3.41Å |
| 321 | L | 65.3 | Low | 61.3 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 176.8 | -174.7 | 72.6 | 0 | 0 | 0 | 112 | A131 M134 I135 V217 V221 L224 L317 H318 T325 | A131-L321 HydrophobicContact CB-CD1 4.02Å; M134-L321 HydrophobicContact CB-CD2 3.78Å; I135-L321 HydrophobicContact CD1-CD2 4.19Å; I135-L321 HydrophobicContact CD1-CG 3.83Å; I135-L321 HydrophobicContact CG1-CD2 3.6Å; I135-L321 HydrophobicContact CG1-CG 3.79Å; V217-L321 HydrophobicContact CG1-CD2 4.47Å; V221-L321 HydrophobicContact CG2-CB 3.94Å; V221-L321 HydrophobicContact CG2-CD1 3.91Å; L224-L321 HydrophobicContact CD1-CD1 3.69Å; L317-L321 WeakPolarHBondContact O-CB 3.45Å; L317-L321 PolarHBondContact O-N 3.31Å; H318-L321 PolarHBondContact O-N 3.36Å; L321-T325 VanDerWaalsContact O-CB 3.32Å; L321-T325 WeakPolarHBondContact O-CB 3.03Å; L321-T325 PolarHBondContact O-N 2.93Å; L321-T325 PolarHBondContact O-OG1 3.49Å |
| 322 | L | 65.2 | Low | 60.2 | Low | 60 Ų | 60 | 47.4 Ų | 47.4 | 31% | 0.314 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.2 | -54.2 | 175.4 | -78.4 | 170 | 0 | 0 | 0 | 111.1 | I135 H318 K319 E320 L324 T325 D326 | I135-L322 HydrophobicContact CD1-CD2 4.48Å; I135-L322 HydrophobicContact CG1-CD2 4.25Å; I135-L322 HydrophobicContact CG2-CD2 3.51Å; H318-L322 WeakPolarHBondContact O-CG 3.26Å; H318-L322 PolarHBondContact O-N 3.43Å; K319-L322 PolarHBondContact O-N 2.87Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 2.85Å; L322-L324 PolarHBondContact O-N 3.28Å; L322-T325 PolarHBondContact O-N 3.01Å; L322-D326 VanDerWaalsContact O-CG 3.32Å; L322-D326 PolarHBondContact O-N 3.06Å |
| 323 | V | 62.9 | Low | 59 | Low | 84 Ų | 84 | 48.7 Ų | 48.7 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.9 | -54.3 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | K319 E320 T325 D326 L327 | K319-V323 WeakPolarHBondContact O-CG2 3.24Å; K319-V323 PolarHBondContact O-N 3.04Å; K319-V323 VanDerWaalsContact O-N 3.09Å; E320-V323 PolarHBondContact O-N 3.34Å; V323-T325 VanDerWaalsContact C-N 3.26Å; V323-T325 PolarHBondContact O-N 2.98Å; V323-D326 PolarHBondContact O-N 2.82Å; V323-L327 HydrophobicContact CG1-CD1 4.35Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 VanDerWaalsContact O-CG 3.27Å; V323-L327 WeakPolarHBondContact O-CG 3.24Å; V323-L327 PolarHBondContact O-N 3.4Å |
| 324 | L | 61.5 | Low | 57.5 | Low | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -36.9 | -178.3 | -68.5 | 173.2 | 0 | 0 | 0 | 112.9 | V221 L224 L228 E320 L322 L328 | V221-L324 HydrophobicContact CG1-CD1 3.93Å; L224-L324 HydrophobicContact CB-CB 3.97Å; L224-L324 HydrophobicContact CB-CD1 4.07Å; L224-L324 HydrophobicContact CD1-CB 3.47Å; L224-L324 VanDerWaalsContact CD1-CB 3.47Å; L224-L324 HydrophobicContact CD1-CD1 4.34Å; L224-L324 HydrophobicContact CG-CB 4.41Å; L228-L324 HydrophobicContact CD1-CD2 3.42Å; L228-L324 VanDerWaalsContact CD1-CD2 3.42Å; E320-L324 HydrophobicContact CG-CD1 3.79Å; E320-L324 HydrophobicContact CG-CG 4.18Å; E320-L324 WeakPolarHBondContact O-CB 2.86Å; E320-L324 VanDerWaalsContact O-CG 3.24Å; E320-L324 WeakPolarHBondContact O-CG 3.38Å; E320-L324 PolarHBondContact O-N 3.41Å; L322-L324 PolarHBondContact O-N 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.16Å; L324-L328 PolarHBondContact O-N 3.31Å |
| 325 | T | 64.9 | Low | 56 | Low | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 178 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | V132 I135 L224 L321 L322 V323 L327 L328 M329 | V132-T325 HydrophobicContact CG2-CG2 3.71Å; I135-T325 HydrophobicContact CD1-CG2 3.62Å; I135-T325 WeakPolarHBondContact CD1-OG1 3.22Å; L224-T325 VanDerWaalsContact CD1-OG1 3.31Å; L224-T325 WeakPolarHBondContact CD1-OG1 3.28Å; L321-T325 VanDerWaalsContact O-CB 3.32Å; L321-T325 WeakPolarHBondContact O-CB 3.03Å; L321-T325 PolarHBondContact O-N 2.93Å; L321-T325 PolarHBondContact O-OG1 3.49Å; L322-T325 PolarHBondContact O-N 3.01Å; V323-T325 VanDerWaalsContact C-N 3.26Å; V323-T325 PolarHBondContact O-N 2.98Å; T325-L327 VanDerWaalsContact C-N 3.26Å; T325-L327 PolarHBondContact O-N 3.45Å; T325-L328 PolarHBondContact O-N 2.75Å; T325-M329 HydrophobicContact CG2-CG 3.99Å; T325-M329 VanDerWaalsContact O-CB 3.28Å; T325-M329 WeakPolarHBondContact O-CB 3.28Å; T325-M329 VanDerWaalsContact O-CG 3.22Å; T325-M329 WeakPolarHBondContact O-CG 3.47Å; T325-M329 PolarHBondContact O-N 3.14Å |
| 326 | D | 60.5 | Low | 54.3 | Low | 90 Ų | 90 | 67 Ų | 67 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 175.6 | -69.6 | -20.8 | 0 | 0 | 0 | 111.1 | L322 V323 C330 A331 | L322-D326 VanDerWaalsContact O-CG 3.32Å; L322-D326 PolarHBondContact O-N 3.06Å; V323-D326 PolarHBondContact O-N 2.82Å; D326-C330 PolarHBondContact O-N 2.89Å; D326-C330 VanDerWaalsContact O-N 3.17Å; D326-A331 PolarHBondContact O-N 3.02Å; D326-A331 VanDerWaalsContact O-N 3.11Å |
| 327 | L | 58 | Low | 52.8 | Low | 41 Ų | 41 | 70.9 Ų | 70.9 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.2 | -63.2 | -168.9 | 0 | 0 | 0 | 112.7 | I289 T293 V323 T325 C330 | I289-L327 HydrophobicContact CG2-CB 4.38Å; I289-L327 HydrophobicContact CG2-CD1 3.97Å; I289-L327 HydrophobicContact CG2-CD2 3.32Å; I289-L327 HydrophobicContact CG2-CG 4.04Å; T293-L327 HydrophobicContact CG2-CD1 3.25Å; V323-L327 HydrophobicContact CG1-CD1 4.35Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 VanDerWaalsContact O-CG 3.27Å; V323-L327 WeakPolarHBondContact O-CG 3.24Å; V323-L327 PolarHBondContact O-N 3.4Å; T325-L327 VanDerWaalsContact C-N 3.26Å; T325-L327 PolarHBondContact O-N 3.45Å; L327-C330 PolarHBondContact O-N 3.3Å |
| 328 | L | 61.4 | Low | 51 | Low | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -179.7 | -78.6 | 168.2 | 0 | 0 | 0 | 112.8 | L224 L227 L228 R231 L324 T325 C330 | L224-L328 HydrophobicContact CB-CD1 3.79Å; L224-L328 HydrophobicContact CD1-CD1 4.37Å; L224-L328 HydrophobicContact CD2-CD1 3.21Å; L224-L328 HydrophobicContact CG-CD1 3.93Å; L227-L328 HydrophobicContact CB-CD1 4.18Å; L227-L328 HydrophobicContact CB-CD2 3.82Å; L227-L328 HydrophobicContact CD1-CD1 3.84Å; L227-L328 HydrophobicContact CD1-CD2 4.35Å; L228-L328 HydrophobicContact CD2-CD2 3.78Å; L228-L328 HydrophobicContact CD2-CG 4.09Å; L228-L328 HydrophobicContact CG-CD2 4.2Å; L228-L328 HydrophobicContact CG-CG 4.4Å; R231-L328 PolarHBondContact NH1-O 3.41Å; R231-L328 PolarHBondContact NH2-O 2.93Å; L324-L328 WeakPolarHBondContact O-CG 3.16Å; L324-L328 PolarHBondContact O-N 3.31Å; T325-L328 PolarHBondContact O-N 2.75Å; L328-C330 PolarHBondContact O-N 3.36Å |
| 329 | M | 61.5 | Low | 49.1 | Very low | 100 Ų | 100 | 80.1 Ų | 80.1 | 49% | 0.493 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.2 | 177.4 | -67.6 | -61.2 | -67.8 | 0 | 0 | 112.8 | T128 T325 A331 | T128-M329 HydrophobicContact CG2-SD 3.74Å; T325-M329 HydrophobicContact CG2-CG 3.99Å; T325-M329 VanDerWaalsContact O-CB 3.28Å; T325-M329 WeakPolarHBondContact O-CB 3.28Å; T325-M329 VanDerWaalsContact O-CG 3.22Å; T325-M329 WeakPolarHBondContact O-CG 3.47Å; T325-M329 PolarHBondContact O-N 3.14Å; M329-A331 HydrophobicContact CB-CB 3.88Å; M329-A331 PolarHBondContact O-N 2.87Å |
| 330 | C | 54.4 | Low | 47.2 | Very low | 36 Ų | 36 | 81.6 Ų | 81.6 | 24% | 0.243 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 32.9 | -172.8 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | D326 L327 L328 N332 F333 | D326-C330 PolarHBondContact O-N 2.89Å; D326-C330 VanDerWaalsContact O-N 3.17Å; L327-C330 PolarHBondContact O-N 3.3Å; L328-C330 PolarHBondContact O-N 3.36Å; C330-N332 PolarHBondContact O-N 3.35Å; C330-F333 HydrophobicContact CB-CD2 4.06Å; C330-F333 HydrophobicContact CB-CE2 3.69Å; C330-F333 WeakPolarHBondContact O-CD2 3.48Å; C330-F333 PolarHBondContact O-N 2.73Å; C330-F333 VanDerWaalsContact O-N 3.16Å |
| 331 | A | 42.1 | Very low | 45.3 | Very low | 39 Ų | 39 | 85.9 Ų | 85.9 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 22.3 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D326 M329 | D326-A331 PolarHBondContact O-N 3.02Å; D326-A331 VanDerWaalsContact O-N 3.11Å; M329-A331 HydrophobicContact CB-CB 3.88Å; M329-A331 PolarHBondContact O-N 2.87Å |
| 332 | N | 33.5 | Very low | 43.4 | Very low | 170 Ų | 170 | 95.6 Ų | 95.6 | 91% | 0.909 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 23 | 154.2 | -74 | -20.1 | 0 | 0 | 0 | 112 | C330 | C330-N332 PolarHBondContact O-N 3.35Š|
| 333 | F | 34.5 | Very low | 41.5 | Very low | 130 Ų | 130 | 99.5 Ų | 99.5 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -65.8 | 129.1 | 151.5 | -77.8 | -76.6 | 0 | 0 | 0 | 108.3 | C330 I335 | C330-F333 HydrophobicContact CB-CD2 4.06Å; C330-F333 HydrophobicContact CB-CE2 3.69Å; C330-F333 WeakPolarHBondContact O-CD2 3.48Å; C330-F333 PolarHBondContact O-N 2.73Å; C330-F333 VanDerWaalsContact O-N 3.16Å; F333-I335 PolarHBondContact O-N 2.79Å |
| 334 | P | 30.1 | Very low | 39.8 | Very low | 124 Ų | 124 | 102.5 Ų | 102.5 | 81% | 0.805 | 56% | 0.555 | S | S | * | * | trans | -64.4 | 90.6 | 158.6 | 28.3 | -29.1 | 0 | 0 | 0 | 106 | D336 | P334-D336 PolarHBondContact O-N 3.43Š| ||
| 335 | I | 33 | Very low | 38.1 | Very low | 139 Ų | 139 | 110 Ų | 110 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | trans | -59.6 | 111.7 | 165.7 | -62.9 | 171.2 | 0 | 0 | 0 | 104.3 | F333 T337 | F333-I335 PolarHBondContact O-N 2.79Å; I335-T337 PolarHBondContact O-N 3.22Å | ||
| 336 | D | 28 | Very low | 36.4 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | trans | -12.7 | 109.2 | 168 | -149.8 | -14.4 | 0 | 0 | 0 | 112.1 | P334 G338 | P334-D336 PolarHBondContact O-N 3.43Å; D336-G338 PolarHBondContact O-N 3.49Å | ||
| 337 | T | 31.1 | Very low | 34.8 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 84% | 0.84 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 16.2 | -176.4 | 37.6 | 0 | 0 | 0 | 0 | 114.4 | I335 | I335-T337 PolarHBondContact O-N 3.22Š|
| 338 | G | 26.7 | Very low | 33.5 | Very low | 65 Ų | 65 | 122.8 Ų | 122.8 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -18.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D336 | D336-G338 PolarHBondContact O-N 3.49Š|
| 339 | L | 25.7 | Very low | 32 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 68% | 0.677 | S | S | * | * | trans | -105.8 | 69.4 | 176.4 | -72.7 | 167.3 | 0 | 0 | 0 | 110.2 | P341 | L339-P341 WeakPolarHBondContact O-CD 3.34Š| ||
| 340 | M | 25.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 79% | 0.788 | 69% | 0.688 | S | S | * | * | trans | -57.9 | 126.2 | 163.1 | -100.6 | -154.9 | 146.9 | 0 | 0 | 108.7 | Y342 | M340-Y342 PolarHBondContact O-N 3.4Š| ||
| 341 | P | 26.3 | Very low | 29.4 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | trans | -61.5 | 115.4 | 172.3 | 24 | -30 | 0 | 0 | 0 | 108 | L339 D343 | L339-P341 WeakPolarHBondContact O-CD 3.34Å; P341-D343 PolarHBondContact O-N 3.06Å | ||
| 342 | Y | 24.8 | Very low | 28.9 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -62.8 | 106.4 | 167.5 | -82.9 | -91 | 0 | 0 | 0 | 107.8 | M340 F344 | M340-Y342 PolarHBondContact O-N 3.4Å; Y342-F344 HydrophobicContact CG-CE2 4.45Å; Y342-F344 PolarHBondContact O-N 2.77Å | ||
| 343 | D | 25.5 | Very low | 28.8 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -66.3 | 87.7 | 167.2 | -84.8 | -31 | 0 | 0 | 0 | 108.7 | P341 H345 | P341-D343 PolarHBondContact O-N 3.06Å; D343-H345 PolarHBondContact O-N 3.28Å | ||
| 344 | F | 26.6 | Very low | 28.7 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | trans | -71.2 | 93.4 | 171.3 | -88.2 | -86.5 | 0 | 0 | 0 | 109.5 | Y342 | Y342-F344 HydrophobicContact CG-CE2 4.45Å; Y342-F344 PolarHBondContact O-N 2.77Å | ||
| 345 | H | 26.9 | Very low | 28.8 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -84.3 | 109 | 162 | -77 | -48.7 | 0 | 0 | 0 | 109.8 | D343 N347 | D343-H345 PolarHBondContact O-N 3.28Å; H345-N347 PolarHBondContact O-N 2.99Å; H345-N347 VanDerWaalsContact O-N 3.14Å | ||
| 346 | Y | 27.8 | Very low | 28.7 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 58% | 0.576 | 75% | 0.751 | S | S | * | * | trans | -69.8 | 102.8 | 166.6 | -74.8 | -90 | 0 | 0 | 0 | 109 | I348 | Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 3.47Å; Y346-I348 VanDerWaalsContact O-N 3.11Å | ||
| 347 | N | 27.8 | Very low | 28.9 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -76.4 | 89.6 | 154.1 | -99.3 | -7.1 | 0 | 0 | 0 | 107.2 | H345 V349 | H345-N347 PolarHBondContact O-N 2.99Å; H345-N347 VanDerWaalsContact O-N 3.14Å; N347-V349 PolarHBondContact O-N 2.93Å | ||
| 348 | I | 30.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 59% | 0.585 | 76% | 0.759 | S | S | * | * | trans | -70.1 | 91.4 | 161.9 | -56.7 | 176.9 | 0 | 0 | 0 | 104.9 | Y346 N350 | Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 3.47Å; Y346-I348 VanDerWaalsContact O-N 3.11Å; I348-N350 PolarHBondContact O-N 3.37Å | ||
| 349 | V | 30.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 157 Ų | 157 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -67.5 | 91.3 | 165.5 | -176.7 | 0 | 0 | 0 | 0 | 105.2 | N347 D351 | N347-V349 PolarHBondContact O-N 2.93Å; V349-D351 PolarHBondContact O-N 3.26Å | ||
| 350 | N | 31.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 156.9 Ų | 156.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -65.8 | 118 | 154.6 | -74.7 | -20.5 | 0 | 0 | 0 | 104.5 | I348 E352 | I348-N350 PolarHBondContact O-N 3.37Å; N350-E352 PolarHBondContact O-N 2.84Å | ||
| 351 | D | 30.8 | Very low | 30.3 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -58.8 | 85.7 | 168.2 | -78.1 | -42 | 0 | 0 | 0 | 108.1 | V349 | V349-D351 PolarHBondContact O-N 3.26Š|
| 352 | E | 30.8 | Very low | 30.8 | Very low | 175 Ų | 175 | 163.1 Ų | 163.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -167.6 | 117.6 | 157.6 | -105.9 | 161.3 | -148.3 | 0 | 0 | 109.9 | N350 | N350-E352 PolarHBondContact O-N 2.84Š| ||
| 353 | E | 32.2 | Very low | 31.2 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 79.1 | 97.5 | 156.7 | -56.4 | -166.4 | 153 | 0 | 0 | 119.6 | L355 | E353-L355 PolarHBondContact O-N 2.86Š| ||
| 354 | K | 31.2 | Very low | 31.7 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -18.9 | 120.3 | 147 | -61.1 | 172.9 | 179 | 175.6 | 0 | 112.9 | ||||
| 355 | L | 32.3 | Very low | 32.4 | Very low | 161 Ų | 161 | 157.1 Ų | 157.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -156.7 | 114.8 | 144.5 | -105.7 | 157.4 | 0 | 0 | 0 | 112.3 | E353 | E353-L355 PolarHBondContact O-N 2.86Š| ||
| 356 | S | 31.8 | Very low | 33.3 | Very low | 95 Ų | 95 | 154.6 Ų | 154.6 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 56.5 | 105.8 | 142.4 | 58.1 | 0 | 0 | 0 | 0 | 119.6 | K358 | S356-K358 PolarHBondContact O-N 3.48Š| ||
| 357 | E | 32.4 | Very low | 34.6 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -8.7 | 104.7 | 131 | -63.2 | 176.5 | 167.1 | 0 | 0 | 114.9 | ||||
| 358 | K | 34.8 | Very low | 35.9 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 157.5 | 82.3 | 139 | -87.3 | 168.3 | -176 | 179.8 | 0 | 109.1 | S356 | S356-K358 PolarHBondContact O-N 3.48Š| ||
| 359 | Q | 34.2 | Very low | 37.5 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 130.8 | 144.5 | -106.4 | 173.4 | 27.5 | 0 | 0 | 109.1 | ||||
| 360 | N | 31.7 | Very low | 39.2 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 144.4 | -161.7 | -77.9 | -49.8 | 0 | 0 | 0 | 112.8 | ||||
| 361 | K | 37.4 | Very low | 40.9 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 11.4 | 124.5 | 146.1 | -68.3 | 177.1 | 175.7 | 179.3 | 0 | 116.1 | ||
| 362 | F | 36.5 | Very low | 42.5 | Very low | 213 Ų | 213 | 150.1 Ų | 150.1 | 93% | 0.934 | 74% | 0.735 | S | S | * | * | trans | 106 | 4.2 | 179.1 | -61.4 | -68.7 | 0 | 0 | 0 | 116.6 | L364 | F362-L364 PolarHBondContact O-N 3.33Š| ||
| 363 | G | 33.2 | Very low | 44.4 | Very low | 60 Ų | 60 | 144.1 Ų | 144.1 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | trans | -68.7 | 97.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N365 | G363-N365 VanDerWaalsContact C-N 3.31Å; G363-N365 PolarHBondContact O-N 2.92Å | ||
| 364 | L | 35.7 | Very low | 46.1 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -54.5 | 105.5 | 157.5 | -83.7 | 156.1 | 0 | 0 | 0 | 105.5 | F362 F366 | F362-L364 PolarHBondContact O-N 3.33Å; L364-F366 PolarHBondContact O-N 3.49Å | ||
| 365 | N | 42.1 | Very low | 47.8 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | -63.2 | 86.4 | 178.1 | -83.6 | -15 | 0 | 0 | 0 | 108.8 | G363 T367 | G363-N365 VanDerWaalsContact C-N 3.31Å; G363-N365 PolarHBondContact O-N 2.92Å; N365-T367 PolarHBondContact O-N 3.19Å | ||
| 366 | F | 44.9 | Very low | 49.9 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 48% | 0.482 | 67% | 0.67 | S | S | . | * | trans | -80.5 | 105.2 | 176.6 | -175.6 | -81.1 | 0 | 0 | 0 | 107.1 | L364 E371 | L364-F366 PolarHBondContact O-N 3.49Å; F366-E371 HydrophobicContact CD2-CG 3.61Å; F366-E371 HydrophobicContact CE1-CG 4.42Å; F366-E371 HydrophobicContact CE2-CB 4.41Å; F366-E371 HydrophobicContact CE2-CG 3.28Å; F366-E371 HydrophobicContact CG-CG 4.34Å; F366-E371 HydrophobicContact CZ-CB 4.45Å; F366-E371 HydrophobicContact CZ-CG 3.72Å | ||
| 367 | T | 55.4 | Low | 52.1 | Low | 65 Ų | 65 | 136 Ų | 136 | 40% | 0.399 | 67% | 0.669 | S | S | . | * | trans | -107.5 | 140.2 | 160.5 | 59.9 | 0 | 0 | 0 | 0 | 107.5 | N365 E369 N370 E371 | N365-T367 PolarHBondContact O-N 3.19Å; T367-E369 PolarHBondContact O-N 2.67Å; T367-E369 VanDerWaalsContact O-N 3.08Å; T367-N370 WeakPolarHBondContact O-CB 3.21Å; T367-N370 PolarHBondContact O-N 2.86Å; T367-N370 VanDerWaalsContact OG1-CB 3.28Å; T367-N370 WeakPolarHBondContact OG1-CB 3.37Å; T367-N370 PolarHBondContact OG1-N 3.32Å; T367-N370 PolarHBondContact OG1-ND2 2.93Å; T367-N370 VanDerWaalsContact OG1-ND2 3.16Å; T367-E371 PolarHBondContact O-N 3.45Å | ||
| 368 | L | 55.6 | Low | 54.1 | Low | 144 Ų | 144 | 131.8 Ų | 131.8 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -52.6 | -32.8 | 176.2 | -166.3 | 86.6 | 0 | 0 | 0 | 111.1 | R372 | L368-R372 WeakPolarHBondContact O-CB 3.32Å; L368-R372 PolarHBondContact O-N 3.4Å |
| 369 | E | 63.8 | Low | 56 | Low | 158 Ų | 158 | 125 Ų | 125 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68 | -42.7 | 176.8 | -157.7 | 163.2 | -155.4 | 0 | 0 | 112.5 | T367 R372 A373 | T367-E369 PolarHBondContact O-N 2.67Å; T367-E369 VanDerWaalsContact O-N 3.08Å; E369-R372 PolarHBondContact O-N 3.39Å; E369-A373 VanDerWaalsContact O-CB 3.32Å; E369-A373 WeakPolarHBondContact O-CB 3.15Å; E369-A373 PolarHBondContact O-N 3.04Å |
| 370 | N | 66.1 | Low | 58.3 | Low | 82 Ų | 82 | 118.8 Ų | 118.8 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.1 | -43.1 | 174.3 | -77.2 | -12.3 | 0 | 0 | 0 | 112.1 | T367 A373 K374 | T367-N370 WeakPolarHBondContact O-CB 3.21Å; T367-N370 PolarHBondContact O-N 2.86Å; T367-N370 VanDerWaalsContact OG1-CB 3.28Å; T367-N370 WeakPolarHBondContact OG1-CB 3.37Å; T367-N370 PolarHBondContact OG1-N 3.32Å; T367-N370 PolarHBondContact OG1-ND2 2.93Å; T367-N370 VanDerWaalsContact OG1-ND2 3.16Å; N370-A373 WeakPolarHBondContact O-CB 3.42Å; N370-A373 PolarHBondContact O-N 3.18Å; N370-K374 WeakPolarHBondContact O-CG 3.33Å; N370-K374 PolarHBondContact O-N 2.81Å |
| 371 | E | 65.5 | Low | 60.6 | Low | 61 Ų | 61 | 117.5 Ų | 117.5 | 29% | 0.285 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.1 | -37.7 | 177 | -72.2 | -51.5 | 128.6 | 0 | 0 | 112.1 | F366 T367 A373 K374 L375 | F366-E371 HydrophobicContact CD2-CG 3.61Å; F366-E371 HydrophobicContact CE1-CG 4.42Å; F366-E371 HydrophobicContact CE2-CB 4.41Å; F366-E371 HydrophobicContact CE2-CG 3.28Å; F366-E371 HydrophobicContact CG-CG 4.34Å; F366-E371 HydrophobicContact CZ-CB 4.45Å; F366-E371 HydrophobicContact CZ-CG 3.72Å; T367-E371 PolarHBondContact O-N 3.45Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 3.41Å; E371-K374 PolarHBondContact O-N 3.15Å; E371-K374 WeakPolarHBondContact OE1-CD 3.43Å; E371-K374 WeakPolarHBondContact OE1-CE 3.15Å; E371-K374 IonicContact OE1-NZ 2.79Å; E371-K374 PolarHBondContact OE1-NZ 3.19Å; E371-L375 WeakPolarHBondContact O-CB 3.24Å; E371-L375 PolarHBondContact O-N 2.94Å |
| 372 | R | 64.7 | Low | 62.4 | Low | 199 Ų | 199 | 113.2 Ų | 113.2 | 75% | 0.751 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.1 | -39.3 | 171.2 | -173.4 | 179.5 | -179.1 | -175 | -0.1 | 110.9 | L368 E369 K376 | L368-R372 WeakPolarHBondContact O-CB 3.32Å; L368-R372 PolarHBondContact O-N 3.4Å; E369-R372 PolarHBondContact O-N 3.39Å; R372-K376 WeakPolarHBondContact O-CB 3.46Å; R372-K376 PolarHBondContact O-N 3.48Å |
| 373 | A | 70.6 | Confident | 64.5 | Low | 50 Ų | 50 | 109.2 Ų | 109.2 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E369 N370 E371 K376 L377 | E369-A373 VanDerWaalsContact O-CB 3.32Å; E369-A373 WeakPolarHBondContact O-CB 3.15Å; E369-A373 PolarHBondContact O-N 3.04Å; N370-A373 WeakPolarHBondContact O-CB 3.42Å; N370-A373 PolarHBondContact O-N 3.18Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 3.41Å; A373-K376 PolarHBondContact O-N 2.93Å; A373-L377 WeakPolarHBondContact O-CB 3.46Å; A373-L377 PolarHBondContact O-N 2.92Å |
| 374 | K | 69.2 | Low | 66.8 | Low | 104 Ų | 104 | 110.9 Ų | 110.9 | 45% | 0.452 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -45.8 | 174.3 | -74 | 177.6 | -169.3 | 167.9 | 0 | 112.1 | N370 E371 K376 L377 I378 | N370-K374 WeakPolarHBondContact O-CG 3.33Å; N370-K374 PolarHBondContact O-N 2.81Å; E371-K374 PolarHBondContact O-N 3.15Å; E371-K374 WeakPolarHBondContact OE1-CD 3.43Å; E371-K374 WeakPolarHBondContact OE1-CE 3.15Å; E371-K374 IonicContact OE1-NZ 2.79Å; E371-K374 PolarHBondContact OE1-NZ 3.19Å; K374-K376 VanDerWaalsContact C-N 3.31Å; K374-K376 PolarHBondContact O-N 3.02Å; K374-L377 CarbonylContact O-C 3.28Å; K374-L377 WeakPolarHBondContact O-CB 3.49Å; K374-L377 PolarHBondContact O-N 3.17Å; K374-I378 VanDerWaalsContact O-CG1 3.31Å; K374-I378 WeakPolarHBondContact O-CG1 3.34Å; K374-I378 PolarHBondContact O-N 3.44Å |
| 375 | L | 66.2 | Low | 68.9 | Low | 115 Ų | 115 | 107.6 Ų | 107.6 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -36.9 | 179.8 | -156.3 | 137.4 | 0 | 0 | 0 | 110.5 | E371 I378 V379 | E371-L375 WeakPolarHBondContact O-CB 3.24Å; E371-L375 PolarHBondContact O-N 2.94Å; L375-I378 PolarHBondContact O-N 3.35Å; L375-V379 HydrophobicContact CD2-CG2 4.23Å; L375-V379 WeakPolarHBondContact O-CB 3.39Å; L375-V379 WeakPolarHBondContact O-CG2 3.37Å; L375-V379 PolarHBondContact O-N 3.22Å |
| 376 | K | 76.4 | Confident | 70.6 | Confident | 134 Ų | 134 | 107.6 Ų | 107.6 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 170 | -168.1 | 176.8 | -179.5 | -172.5 | 0 | 111.5 | R372 A373 K374 I378 V379 D380 | R372-K376 WeakPolarHBondContact O-CB 3.46Å; R372-K376 PolarHBondContact O-N 3.48Å; A373-K376 PolarHBondContact O-N 2.93Å; K374-K376 VanDerWaalsContact C-N 3.31Å; K374-K376 PolarHBondContact O-N 3.02Å; K376-I378 PolarHBondContact O-N 2.83Å; K376-V379 PolarHBondContact O-N 3.32Å; K376-D380 VanDerWaalsContact O-CB 3.29Å; K376-D380 WeakPolarHBondContact O-CB 3.23Å; K376-D380 PolarHBondContact O-N 2.94Å |
| 377 | L | 77.4 | Confident | 72.3 | Confident | 121 Ų | 121 | 107.2 Ų | 107.2 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 173.1 | -96.5 | 160.3 | 0 | 0 | 0 | 112.8 | A373 K374 D380 K381 | A373-L377 WeakPolarHBondContact O-CB 3.46Å; A373-L377 PolarHBondContact O-N 2.92Å; K374-L377 CarbonylContact O-C 3.28Å; K374-L377 WeakPolarHBondContact O-CB 3.49Å; K374-L377 PolarHBondContact O-N 3.17Å; L377-D380 PolarHBondContact O-N 3.48Å; L377-K381 WeakPolarHBondContact O-CB 3.37Å; L377-K381 PolarHBondContact O-N 3.37Å |
| 378 | I | 75.7 | Confident | 73.6 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 176.8 | -68.4 | 164.8 | 0 | 0 | 0 | 110.2 | K374 L375 K376 K381 L382 | K374-I378 VanDerWaalsContact O-CG1 3.31Å; K374-I378 WeakPolarHBondContact O-CG1 3.34Å; K374-I378 PolarHBondContact O-N 3.44Å; L375-I378 PolarHBondContact O-N 3.35Å; K376-I378 PolarHBondContact O-N 2.83Å; I378-K381 PolarHBondContact O-N 2.88Å; I378-L382 HydrophobicContact CG2-CD1 3.95Å; I378-L382 HydrophobicContact CG2-CG 4.42Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 VanDerWaalsContact O-CG 3.32Å; I378-L382 WeakPolarHBondContact O-CG 3.29Å; I378-L382 PolarHBondContact O-N 2.89Å |
| 379 | V | 74.7 | Confident | 74.7 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 176.9 | 169.2 | 0 | 0 | 0 | 0 | 111 | L375 K376 L382 K383 | L375-V379 HydrophobicContact CD2-CG2 4.23Å; L375-V379 WeakPolarHBondContact O-CB 3.39Å; L375-V379 WeakPolarHBondContact O-CG2 3.37Å; L375-V379 PolarHBondContact O-N 3.22Å; K376-V379 PolarHBondContact O-N 3.32Å; V379-L382 PolarHBondContact O-N 2.99Å; V379-K383 HydrophobicContact CG1-CD 4.33Å; V379-K383 WeakPolarHBondContact O-CB 3.36Å; V379-K383 VanDerWaalsContact O-CG 3.32Å; V379-K383 WeakPolarHBondContact O-CG 3.34Å; V379-K383 PolarHBondContact O-N 3.06Å |
| 380 | D | 81.1 | Confident | 75.4 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.4 | -69.8 | -19.5 | 0 | 0 | 0 | 110.4 | K376 L377 K383 T384 | K376-D380 VanDerWaalsContact O-CB 3.29Å; K376-D380 WeakPolarHBondContact O-CB 3.23Å; K376-D380 PolarHBondContact O-N 2.94Å; L377-D380 PolarHBondContact O-N 3.48Å; D380-K383 PolarHBondContact O-N 3.44Å; D380-T384 WeakPolarHBondContact O-CG2 3.33Å; D380-T384 PolarHBondContact O-N 3.29Å; D380-T384 PolarHBondContact O-OG1 3.47Å |
| 381 | K | 81.3 | Confident | 76 | Confident | 127 Ų | 127 | 101.4 Ų | 101.4 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.6 | -48.4 | 173.2 | -171.3 | -177.3 | -179.9 | -162.1 | 0 | 111.7 | L377 I378 K383 T384 E385 | L377-K381 WeakPolarHBondContact O-CB 3.37Å; L377-K381 PolarHBondContact O-N 3.37Å; I378-K381 PolarHBondContact O-N 2.88Å; K381-K383 VanDerWaalsContact C-N 3.3Å; K381-K383 PolarHBondContact O-N 3.5Å; K381-T384 WeakPolarHBondContact CA-OG1 3.43Å; K381-T384 PolarHBondContact O-N 2.87Å; K381-T384 VanDerWaalsContact O-N 3.13Å; K381-T384 PolarHBondContact O-OG1 3.34Å; K381-E385 WeakPolarHBondContact CE-OE1 3.4Å; K381-E385 IonicContact NZ-OE1 3.81Å; K381-E385 WeakPolarHBondContact O-CG 3.25Å; K381-E385 PolarHBondContact O-N 3.39Å |
| 382 | L | 74.2 | Confident | 76.8 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 177 | -76.6 | 170.8 | 0 | 0 | 0 | 111.8 | I378 V379 E385 Y386 | I378-L382 HydrophobicContact CG2-CD1 3.95Å; I378-L382 HydrophobicContact CG2-CG 4.42Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 VanDerWaalsContact O-CG 3.32Å; I378-L382 WeakPolarHBondContact O-CG 3.29Å; I378-L382 PolarHBondContact O-N 2.89Å; V379-L382 PolarHBondContact O-N 2.99Å; L382-E385 PolarHBondContact O-N 3.34Å; L382-Y386 WeakPolarHBondContact O-CB 3.33Å; L382-Y386 PolarHBondContact O-N 2.88Å |
| 383 | K | 80.2 | Confident | 77.4 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 171.9 | -78.6 | 176.8 | 178.6 | -179.8 | 0 | 111.4 | V379 D380 K381 Y386 E387 | V379-K383 HydrophobicContact CG1-CD 4.33Å; V379-K383 WeakPolarHBondContact O-CB 3.36Å; V379-K383 VanDerWaalsContact O-CG 3.32Å; V379-K383 WeakPolarHBondContact O-CG 3.34Å; V379-K383 PolarHBondContact O-N 3.06Å; D380-K383 PolarHBondContact O-N 3.44Å; K381-K383 VanDerWaalsContact C-N 3.3Å; K381-K383 PolarHBondContact O-N 3.5Å; K383-Y386 PolarHBondContact O-N 3.39Å; K383-E387 WeakPolarHBondContact O-CB 3.34Å; K383-E387 WeakPolarHBondContact O-CG 3.41Å; K383-E387 PolarHBondContact O-N 2.87Å |
| 384 | T | 81.6 | Confident | 77.8 | Confident | 95 Ų | 95 | 97 Ų | 97 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | D380 K381 G388 | D380-T384 WeakPolarHBondContact O-CG2 3.33Å; D380-T384 PolarHBondContact O-N 3.29Å; D380-T384 PolarHBondContact O-OG1 3.47Å; K381-T384 WeakPolarHBondContact CA-OG1 3.43Å; K381-T384 PolarHBondContact O-N 2.87Å; K381-T384 VanDerWaalsContact O-N 3.13Å; K381-T384 PolarHBondContact O-OG1 3.34Å; T384-G388 PolarHBondContact O-N 3.06Å |
| 385 | E | 79.4 | Confident | 78.3 | Confident | 90 Ų | 90 | 96.5 Ų | 96.5 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.9 | -42.2 | 174.7 | -75 | 178.4 | -178 | 0 | 0 | 111 | K381 L382 G388 I389 | K381-E385 WeakPolarHBondContact CE-OE1 3.4Å; K381-E385 IonicContact NZ-OE1 3.81Å; K381-E385 WeakPolarHBondContact O-CG 3.25Å; K381-E385 PolarHBondContact O-N 3.39Å; L382-E385 PolarHBondContact O-N 3.34Å; E385-G388 PolarHBondContact O-N 3.32Å; E385-I389 VanDerWaalsContact O-CG1 3.28Å; E385-I389 WeakPolarHBondContact O-CG1 3.32Å; E385-I389 PolarHBondContact O-N 3.15Å |
| 386 | Y | 78.4 | Confident | 79 | Confident | 147 Ų | 147 | 97.5 Ų | 97.5 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.3 | -47.6 | 174.6 | 174.9 | -97.1 | 0 | 0 | 0 | 111.9 | L382 K383 G388 I389 K390 | L382-Y386 WeakPolarHBondContact O-CB 3.33Å; L382-Y386 PolarHBondContact O-N 2.88Å; K383-Y386 PolarHBondContact O-N 3.39Å; Y386-G388 VanDerWaalsContact C-N 3.29Å; Y386-G388 PolarHBondContact O-N 3.49Å; Y386-I389 PolarHBondContact O-N 2.88Å; Y386-K390 HydrophobicContact CE1-CD 4.14Å; Y386-K390 VanDerWaalsContact O-CB 3.24Å; Y386-K390 WeakPolarHBondContact O-CB 3.31Å; Y386-K390 PolarHBondContact O-N 3.08Å |
| 387 | E | 81.7 | Confident | 78.8 | Confident | 103 Ų | 103 | 95.6 Ų | 95.6 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 175.3 | -71.7 | -59.9 | 152.4 | 0 | 0 | 111.5 | K383 K390 Y391 | K383-E387 WeakPolarHBondContact O-CB 3.34Å; K383-E387 WeakPolarHBondContact O-CG 3.41Å; K383-E387 PolarHBondContact O-N 2.87Å; E387-K390 PolarHBondContact O-N 3.39Å; E387-Y391 WeakPolarHBondContact O-CB 3.29Å; E387-Y391 PolarHBondContact O-N 2.83Å |
| 388 | G | 82.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 93.6 Ų | 93.6 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | T384 E385 Y386 Y391 N392 | T384-G388 PolarHBondContact O-N 3.06Å; E385-G388 PolarHBondContact O-N 3.32Å; Y386-G388 VanDerWaalsContact C-N 3.29Å; Y386-G388 PolarHBondContact O-N 3.49Å; G388-Y391 PolarHBondContact O-N 3.26Å; G388-N392 WeakPolarHBondContact O-CB 3.21Å; G388-N392 PolarHBondContact O-N 3.21Å; G388-N392 PolarHBondContact O-ND2 3.46Å |
| 389 | I | 79.1 | Confident | 78.8 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 175.8 | -68.6 | 165.7 | 0 | 0 | 0 | 110.3 | E385 Y386 Y391 N392 L393 | E385-I389 VanDerWaalsContact O-CG1 3.28Å; E385-I389 WeakPolarHBondContact O-CG1 3.32Å; E385-I389 PolarHBondContact O-N 3.15Å; Y386-I389 PolarHBondContact O-N 2.88Å; I389-Y391 VanDerWaalsContact C-N 3.34Å; I389-Y391 PolarHBondContact O-N 3.43Å; I389-N392 PolarHBondContact O-N 2.89Å; I389-L393 HydrophobicContact CG2-CD1 3.78Å; I389-L393 HydrophobicContact CG2-CG 4.38Å; I389-L393 WeakPolarHBondContact O-CB 3.43Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.33Å |
| 390 | K | 77.3 | Confident | 78.7 | Confident | 60 Ų | 60 | 95.2 Ų | 95.2 | 26% | 0.261 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.3 | -174.9 | -176.9 | 175.1 | -170.8 | 0 | 110.7 | Y386 E387 S394 N414 | Y386-K390 HydrophobicContact CE1-CD 4.14Å; Y386-K390 VanDerWaalsContact O-CB 3.24Å; Y386-K390 WeakPolarHBondContact O-CB 3.31Å; Y386-K390 PolarHBondContact O-N 3.08Å; E387-K390 PolarHBondContact O-N 3.39Å; K390-S394 WeakPolarHBondContact O-CB 3.33Å; K390-S394 PolarHBondContact O-N 2.73Å; K390-S394 PolarHBondContact O-OG 3.29Å; K390-N414 PolarHBondContact NZ-OXT 2.72Å |
| 391 | Y | 80.3 | Confident | 78.1 | Confident | 136 Ų | 136 | 92.2 Ų | 92.2 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 175.5 | -177.8 | -99.6 | 0 | 0 | 0 | 111.9 | E387 G388 I389 L393 S394 Q395 | E387-Y391 WeakPolarHBondContact O-CB 3.29Å; E387-Y391 PolarHBondContact O-N 2.83Å; G388-Y391 PolarHBondContact O-N 3.26Å; I389-Y391 VanDerWaalsContact C-N 3.34Å; I389-Y391 PolarHBondContact O-N 3.43Å; Y391-L393 PolarHBondContact O-N 2.87Å; Y391-S394 WeakPolarHBondContact CA-OG 3.34Å; Y391-S394 PolarHBondContact O-N 3.37Å; Y391-S394 PolarHBondContact O-OG 3.41Å; Y391-Q395 HydrophobicContact CD1-CG 4.4Å; Y391-Q395 HydrophobicContact CE1-CG 4.05Å; Y391-Q395 PolarHBondContact O-N 2.79Å; Y391-Q395 PolarHBondContact OH-NE2 3.21Å |
| 392 | N | 80.6 | Confident | 77.5 | Confident | 92 Ų | 92 | 88.5 Ų | 88.5 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 178.6 | -70.4 | -14.8 | 0 | 0 | 0 | 111.8 | G388 I389 S394 Q395 E396 | G388-N392 WeakPolarHBondContact O-CB 3.21Å; G388-N392 PolarHBondContact O-N 3.21Å; G388-N392 PolarHBondContact O-ND2 3.46Å; I389-N392 PolarHBondContact O-N 2.89Å; N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S394 PolarHBondContact O-N 3.33Å; N392-Q395 PolarHBondContact O-N 3.28Å; N392-E396 PolarHBondContact O-N 3.4Å |
| 393 | L | 78.8 | Confident | 77.3 | Confident | 91 Ų | 91 | 90 Ų | 90 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.3 | -77.4 | 168.3 | 0 | 0 | 0 | 111.7 | I389 Y391 Q395 E396 L397 | I389-L393 HydrophobicContact CG2-CD1 3.78Å; I389-L393 HydrophobicContact CG2-CG 4.38Å; I389-L393 WeakPolarHBondContact O-CB 3.43Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.33Å; Y391-L393 PolarHBondContact O-N 2.87Å; L393-Q395 VanDerWaalsContact C-N 3.33Å; L393-Q395 PolarHBondContact O-N 3.33Å; L393-E396 PolarHBondContact O-N 3.11Å; L393-L397 VanDerWaalsContact O-CB 3.29Å; L393-L397 WeakPolarHBondContact O-CB 2.89Å; L393-L397 PolarHBondContact O-N 3.37Å |
| 394 | S | 77.9 | Confident | 76.9 | Confident | 34 Ų | 34 | 90.2 Ų | 90.2 | 24% | 0.238 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 176.5 | 74.2 | 0 | 0 | 0 | 0 | 112 | K390 Y391 N392 Q398 | K390-S394 WeakPolarHBondContact O-CB 3.33Å; K390-S394 PolarHBondContact O-N 2.73Å; K390-S394 PolarHBondContact O-OG 3.29Å; Y391-S394 WeakPolarHBondContact CA-OG 3.34Å; Y391-S394 PolarHBondContact O-N 3.37Å; Y391-S394 PolarHBondContact O-OG 3.41Å; N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S394 PolarHBondContact O-N 3.33Å; S394-Q398 WeakPolarHBondContact O-CB 3.46Å; S394-Q398 PolarHBondContact O-N 2.77Å |
| 395 | Q | 80.7 | Confident | 76.1 | Confident | 95 Ų | 95 | 90.3 Ų | 90.3 | 44% | 0.444 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 174.1 | -74 | -163.7 | -15.9 | 0 | 0 | 112.4 | Y391 N392 L393 L397 Q398 K399 | Y391-Q395 HydrophobicContact CD1-CG 4.4Å; Y391-Q395 HydrophobicContact CE1-CG 4.05Å; Y391-Q395 PolarHBondContact O-N 2.79Å; Y391-Q395 PolarHBondContact OH-NE2 3.21Å; N392-Q395 PolarHBondContact O-N 3.28Å; L393-Q395 VanDerWaalsContact C-N 3.33Å; L393-Q395 PolarHBondContact O-N 3.33Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-Q398 PolarHBondContact O-N 3.46Å; Q395-K399 WeakPolarHBondContact O-CB 3.47Å; Q395-K399 PolarHBondContact O-N 3.36Å |
| 396 | E | 79.7 | Confident | 75.2 | Confident | 135 Ų | 135 | 91.8 Ų | 91.8 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 176.8 | -75.6 | -172.3 | 167.1 | 0 | 0 | 111.4 | N392 L393 K399 A400 | N392-E396 PolarHBondContact O-N 3.4Å; L393-E396 PolarHBondContact O-N 3.11Å; E396-K399 PolarHBondContact O-N 3.47Å; E396-A400 WeakPolarHBondContact O-CB 3.39Å; E396-A400 PolarHBondContact O-N 2.85Å |
| 397 | L | 72.8 | Confident | 74.4 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 174.3 | -88 | 157.5 | 0 | 0 | 0 | 112.2 | L393 Q395 K399 G401 | L393-L397 VanDerWaalsContact O-CB 3.29Å; L393-L397 WeakPolarHBondContact O-CB 2.89Å; L393-L397 PolarHBondContact O-N 3.37Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; L397-K399 VanDerWaalsContact C-N 3.34Å; L397-G401 WeakPolarHBondContact O-CA 3.33Å; L397-G401 PolarHBondContact O-N 2.83Å |
| 398 | Q | 74.4 | Confident | 73.2 | Confident | 79 Ų | 79 | 85.6 Ų | 85.6 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.8 | -32.4 | 178.1 | -167.1 | 156.5 | 12.3 | 0 | 0 | 112 | S394 Q395 A402 | S394-Q398 WeakPolarHBondContact O-CB 3.46Å; S394-Q398 PolarHBondContact O-N 2.77Å; Q395-Q398 PolarHBondContact O-N 3.46Å; Q398-A402 WeakPolarHBondContact O-CB 3.35Å; Q398-A402 PolarHBondContact O-N 2.81Å |
| 399 | K | 78.2 | Confident | 72.1 | Confident | 148 Ų | 148 | 89.3 Ų | 89.3 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70 | -49.1 | 172.7 | -170.6 | 179.5 | 178.8 | -175.7 | 0 | 111.6 | Q395 E396 L397 G401 A402 D403 | Q395-K399 WeakPolarHBondContact O-CB 3.47Å; Q395-K399 PolarHBondContact O-N 3.36Å; E396-K399 PolarHBondContact O-N 3.47Å; L397-K399 VanDerWaalsContact C-N 3.34Å; K399-G401 PolarHBondContact O-N 3.01Å; K399-A402 PolarHBondContact O-N 2.99Å; K399-A402 VanDerWaalsContact O-N 3.11Å; K399-D403 PolarHBondContact O-N 3.41Å |
| 400 | A | 73.8 | Confident | 71.2 | Confident | 45 Ų | 45 | 88 Ų | 88 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E396 D403 I404 | E396-A400 WeakPolarHBondContact O-CB 3.39Å; E396-A400 PolarHBondContact O-N 2.85Å; A400-D403 PolarHBondContact O-N 2.73Å; A400-I404 WeakPolarHBondContact O-CD1 3.21Å; A400-I404 WeakPolarHBondContact O-CG1 3.4Å; A400-I404 PolarHBondContact O-N 3.5Å; A400-I404 VanDerWaalsContact O-N 3.1Å |
| 401 | G | 67.7 | Low | 70.2 | Confident | 8 Ų | 8 | 92.8 Ų | 92.8 | 8% | 0.082 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L397 K399 I404 L405 | L397-G401 WeakPolarHBondContact O-CA 3.33Å; L397-G401 PolarHBondContact O-N 2.83Å; K399-G401 PolarHBondContact O-N 3.01Å; G401-I404 PolarHBondContact O-N 3.36Å; G401-L405 CarbonylContact O-C 3.58Å; G401-L405 VanDerWaalsContact O-C 3.31Å; G401-L405 VanDerWaalsContact O-CA 3.29Å; G401-L405 WeakPolarHBondContact O-CA 3.32Å; G401-L405 WeakPolarHBondContact O-CB 3.29Å; G401-L405 PolarHBondContact O-N 3.1Å |
| 402 | A | 68.8 | Low | 69.1 | Low | 49 Ų | 49 | 91.8 Ų | 91.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q398 K399 I404 P406 | Q398-A402 WeakPolarHBondContact O-CB 3.35Å; Q398-A402 PolarHBondContact O-N 2.81Å; K399-A402 PolarHBondContact O-N 2.99Å; K399-A402 VanDerWaalsContact O-N 3.11Å; A402-I404 VanDerWaalsContact C-N 3.31Å; A402-I404 PolarHBondContact O-N 2.96Å; A402-P406 WeakPolarHBondContact O-CA 3.45Å |
| 403 | D | 69.7 | Low | 67.3 | Low | 130 Ų | 130 | 95.5 Ų | 95.5 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.5 | -33.6 | 175.3 | -68.6 | -24.6 | 0 | 0 | 0 | 111.9 | K399 A400 | K399-D403 PolarHBondContact O-N 3.41Å; A400-D403 PolarHBondContact O-N 2.73Å |
| 404 | I | 72.3 | Confident | 65.4 | Low | 133 Ų | 133 | 100.6 Ų | 100.6 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -93.5 | -35 | -177.5 | -58.4 | 165.2 | 0 | 0 | 0 | 111.8 | A400 G401 A402 | A400-I404 WeakPolarHBondContact O-CD1 3.21Å; A400-I404 WeakPolarHBondContact O-CG1 3.4Å; A400-I404 PolarHBondContact O-N 3.5Å; A400-I404 VanDerWaalsContact O-N 3.1Å; G401-I404 PolarHBondContact O-N 3.36Å; A402-I404 VanDerWaalsContact C-N 3.31Å; A402-I404 PolarHBondContact O-N 2.96Å |
| 405 | L | 65.4 | Low | 64.8 | Low | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | trans | -143 | 77.4 | -172.8 | -71.9 | 165 | 0 | 0 | 0 | 110.2 | G401 G407 A408 | G401-L405 CarbonylContact O-C 3.58Å; G401-L405 VanDerWaalsContact O-C 3.31Å; G401-L405 VanDerWaalsContact O-CA 3.29Å; G401-L405 WeakPolarHBondContact O-CA 3.32Å; G401-L405 WeakPolarHBondContact O-CB 3.29Å; G401-L405 PolarHBondContact O-N 3.1Å; L405-G407 PolarHBondContact O-N 3.11Å; L405-A408 HydrophobicContact CB-CB 3.96Å; L405-A408 PolarHBondContact O-N 3.36Å | ||
| 406 | P | 59.4 | Low | 64 | Low | 121 Ų | 121 | 104.4 Ų | 104.4 | 79% | 0.786 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -6.9 | -172.4 | 20.2 | -31.4 | 0 | 0 | 0 | 115.6 | A402 | A402-P406 WeakPolarHBondContact O-CA 3.45Š|
| 407 | G | 61 | Low | 63.1 | Low | 81 Ų | 81 | 102.7 Ų | 102.7 | 84% | 0.835 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -0.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | L405 | L405-G407 PolarHBondContact O-N 3.11Š|
| 408 | A | 56.8 | Low | 62.5 | Low | 39 Ų | 39 | 103.2 Ų | 103.2 | 32% | 0.322 | 58% | 0.584 | S | S | . | * | trans | -100 | 119.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L405 F410 | L405-A408 HydrophobicContact CB-CB 3.96Å; L405-A408 PolarHBondContact O-N 3.36Å; A408-F410 HydrophobicContact CB-CE2 4.12Å; A408-F410 HydrophobicContact CB-CZ 4.25Å | ||
| 409 | V | 58.4 | Low | 61.8 | Low | 107 Ų | 107 | 104.8 Ų | 104.8 | 65% | 0.648 | 60% | 0.598 | S | S | * | * | trans | -94.9 | 114.5 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | L411 | V409-L411 HydrophobicContact CG1-CD2 4.32Å; V409-L411 HydrophobicContact CG1-CG 4.45Å; V409-L411 PolarHBondContact O-N 2.87Å | ||
| 410 | F | 61.9 | Low | 60.7 | Low | 73 Ų | 73 | 101.9 Ų | 101.9 | 32% | 0.32 | 60% | 0.595 | S | S | . | * | trans | -80.9 | 104.1 | 176.5 | -63.2 | -87.9 | 0 | 0 | 0 | 109.5 | A408 Y412 | A408-F410 HydrophobicContact CB-CE2 4.12Å; A408-F410 HydrophobicContact CB-CZ 4.25Å; F410-Y412 HydrophobicContact CB-CD2 4.37Å; F410-Y412 HydrophobicContact CB-CE2 3.58Å | ||
| 411 | L | 55.6 | Low | 59.7 | Low | 161 Ų | 161 | 105.9 Ų | 105.9 | 84% | 0.843 | 61% | 0.611 | S | S | * | * | trans | -89.4 | 111.7 | 170.8 | -65.5 | 172.3 | 0 | 0 | 0 | 108.5 | V409 | V409-L411 HydrophobicContact CG1-CD2 4.32Å; V409-L411 HydrophobicContact CG1-CG 4.45Å; V409-L411 PolarHBondContact O-N 2.87Å | ||
| 412 | Y | 56.8 | Low | 59.1 | Low | 115 Ų | 115 | 113.5 Ų | 113.5 | 45% | 0.451 | 65% | 0.651 | S | S | . | * | trans | -93.8 | 135.3 | 174.3 | -61.3 | -79.7 | 0 | 0 | 0 | 109.8 | F410 N414 | F410-Y412 HydrophobicContact CB-CD2 4.37Å; F410-Y412 HydrophobicContact CB-CE2 3.58Å; Y412-N414 PolarHBondContact O-N 3.02Å | ||
| 413 | N | 43.6 | Very low | 58.3 | Low | 169 Ų | 169 | 118.8 Ų | 118.8 | 90% | 0.904 | 67% | 0.672 | S | S | * | * | trans | -60.2 | 119.7 | 170.9 | -102.5 | -8.3 | 0 | 0 | 0 | 108.6 | ||||
| 414 | N | 39.2 | Very low | 57.3 | Low | 199 Ų | 199 | 117.8 Ų | 117.8 | 100% | 1.064 | 67% | 0.67 | S | S | * | * | trans | -63 | 0 | 179.5 | -83.6 | -24.6 | 0 | 0 | 0 | 112.5 | K390 Y412 | K390-N414 PolarHBondContact NZ-OXT 2.72Å; Y412-N414 PolarHBondContact O-N 3.02Å |
Retrieved 414 of 414 residues in 243.9 ms
(Link to these results)