| 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 | 39.3 | Very low | 74.5 | Confident | 240 Ų | 240 | 102.9 Ų | 102.9 | 100% | 1.182 | 51% | 0.507 | S | S | * | . | 0 | 98.5 | 0 | -159.2 | 172.1 | -178.8 | 0 | 0 | 107.4 | I3 | M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | R | 45.9 | Very low | 75.9 | Confident | 252 Ų | 252 | 97.6 Ų | 97.6 | 95% | 0.951 | 48% | 0.482 | S | S | * | . | trans | -73.9 | 103.2 | -177.6 | -133.2 | 178.4 | -165.7 | 179 | 2.9 | 106.9 | S4 | R2-S4 PolarHBondContact O-N 3.12Š| ||
| 3 | I | 58.7 | Low | 77.2 | Confident | 91 Ų | 91 | 90.2 Ų | 90.2 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | trans | -57.6 | 126 | 173.2 | -58.9 | 175.2 | 0 | 0 | 0 | 106.8 | M1 T7 K8 | M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-T7 HydrophobicContact CG2-CG2 3.62Å; I3-K8 HydrophobicContact CB-CG 4.18Å; I3-K8 HydrophobicContact CG2-CG 3.7Å | ||
| 4 | S | 77.1 | Confident | 78.3 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | trans | -59.3 | 148.9 | 177.8 | 64.9 | 0 | 0 | 0 | 0 | 109.8 | R2 E6 T7 K8 | R2-S4 PolarHBondContact O-N 3.12Å; S4-E6 PolarHBondContact O-N 3.06Å; S4-T7 PolarHBondContact O-N 3.46Å; S4-T7 VanDerWaalsContact O-N 3.07Å; S4-T7 PolarHBondContact OG-N 3.39Å; S4-T7 PolarHBondContact OG-OG1 3.31Å; S4-K8 PolarHBondContact O-N 3Å | ||
| 5 | N | 79.2 | Confident | 79.3 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -55.5 | -38.8 | 179.8 | -78.5 | -11 | 0 | 0 | 0 | 111.3 | T7 K8 V9 | N5-T7 PolarHBondContact O-N 3.18Å; N5-K8 WeakPolarHBondContact O-CB 3.13Å; N5-K8 PolarHBondContact O-N 3.18Å; N5-V9 WeakPolarHBondContact O-CG2 3.36Å; N5-V9 PolarHBondContact O-N 3.49Å |
| 6 | E | 80 | Confident | 80.3 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 22% | 0.224 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.5 | -49.4 | 174.3 | -60.9 | -173.8 | 168.7 | 0 | 0 | 113.1 | S4 K8 V9 V10 S160 K184 | S4-E6 PolarHBondContact O-N 3.06Å; E6-K8 PolarHBondContact O-N 3.35Å; E6-V9 PolarHBondContact O-N 2.97Å; E6-V9 VanDerWaalsContact O-N 3.12Å; E6-V10 WeakPolarHBondContact O-CG2 3.39Å; E6-V10 PolarHBondContact O-N 2.97Å; E6-S160 VanDerWaalsContact OE1-CB 3.29Å; E6-S160 WeakPolarHBondContact OE1-CB 3.35Å; E6-S160 PolarHBondContact OE1-OG 3.19Å; E6-S160 PolarHBondContact OE2-OG 3.36Å; E6-K184 IonicContact OE2-NZ 2.83Å; E6-K184 PolarHBondContact OE2-NZ 2.98Å |
| 7 | T | 84.1 | Confident | 81 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -32.9 | -178.8 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | I3 S4 N5 L11 | I3-T7 HydrophobicContact CG2-CG2 3.62Å; S4-T7 PolarHBondContact O-N 3.46Å; S4-T7 VanDerWaalsContact O-N 3.07Å; S4-T7 PolarHBondContact OG-N 3.39Å; S4-T7 PolarHBondContact OG-OG1 3.31Å; N5-T7 PolarHBondContact O-N 3.18Å; T7-L11 WeakPolarHBondContact O-CB 3.41Å; T7-L11 PolarHBondContact O-N 2.88Å |
| 8 | K | 87.2 | Confident | 81.8 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 173 | -64 | -179 | -177.2 | 174 | 0 | 111.9 | I3 S4 N5 E6 L11 N12 | I3-K8 HydrophobicContact CB-CG 4.18Å; I3-K8 HydrophobicContact CG2-CG 3.7Å; S4-K8 PolarHBondContact O-N 3Å; N5-K8 WeakPolarHBondContact O-CB 3.13Å; N5-K8 PolarHBondContact O-N 3.18Å; E6-K8 PolarHBondContact O-N 3.35Å; K8-L11 PolarHBondContact O-N 2.61Å; K8-N12 PolarHBondContact O-N 2.99Å |
| 9 | V | 88 | Confident | 82.5 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | N5 E6 L11 N12 L13 L156 P238 T240 | N5-V9 WeakPolarHBondContact O-CG2 3.36Å; N5-V9 PolarHBondContact O-N 3.49Å; E6-V9 PolarHBondContact O-N 2.97Å; E6-V9 VanDerWaalsContact O-N 3.12Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 2.88Å; V9-N12 PolarHBondContact O-N 3.4Å; V9-L13 HydrophobicContact CG1-CD1 4.12Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CG 3.19Å; V9-L13 PolarHBondContact O-N 3.22Å; V9-L156 HydrophobicContact CB-CD1 4.32Å; V9-L156 HydrophobicContact CB-CD2 4.33Å; V9-L156 HydrophobicContact CG1-CD1 3.84Å; V9-L156 HydrophobicContact CG1-CD2 4.08Å; V9-P238 HydrophobicContact CG1-CG 4.24Å; V9-P238 HydrophobicContact CG2-CG 3.51Å; V9-T240 HydrophobicContact CG1-CG2 4.3Å |
| 10 | V | 89 | Confident | 83.1 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | E6 N12 L13 D14 L156 L188 | E6-V10 WeakPolarHBondContact O-CG2 3.39Å; E6-V10 PolarHBondContact O-N 2.97Å; V10-N12 PolarHBondContact O-N 3.01Å; V10-L13 WeakPolarHBondContact O-CB 3.22Å; V10-L13 PolarHBondContact O-N 3.4Å; V10-D14 PolarHBondContact O-N 3.17Å; V10-L156 HydrophobicContact CG2-CD1 4.01Å; V10-L188 HydrophobicContact CG1-CD2 4.12Å |
| 11 | L | 90.9 | Very high | 83.7 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.2 | -175.8 | 67.3 | 0 | 0 | 0 | 112.2 | T7 K8 V9 L13 D14 V15 | T7-L11 WeakPolarHBondContact O-CB 3.41Å; T7-L11 PolarHBondContact O-N 2.88Å; K8-L11 PolarHBondContact O-N 2.61Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.01Å; L11-D14 PolarHBondContact O-N 3.39Å; L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.24Å |
| 12 | N | 91.9 | Very high | 86.4 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.9 | -73 | -13.2 | 0 | 0 | 0 | 112 | K8 V9 V10 V15 L16 L236 I237 | K8-N12 PolarHBondContact O-N 2.99Å; V9-N12 PolarHBondContact O-N 3.4Å; V10-N12 PolarHBondContact O-N 3.01Å; N12-V15 PolarHBondContact O-N 2.83Å; N12-L16 WeakPolarHBondContact O-CB 3.33Å; N12-L16 PolarHBondContact O-N 3.33Å; N12-L236 PolarHBondContact ND2-O 3.48Å; N12-I237 HydrophobicContact CB-CG1 4Å |
| 13 | L | 92.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 173.6 | -71.1 | 170.4 | 0 | 0 | 0 | 111.5 | V9 V10 L11 L16 A17 L101 L149 C152 L156 I237 | V9-L13 HydrophobicContact CG1-CD1 4.12Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CG 3.19Å; V9-L13 PolarHBondContact O-N 3.22Å; V10-L13 WeakPolarHBondContact O-CB 3.22Å; V10-L13 PolarHBondContact O-N 3.4Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.01Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.97Å; L13-L101 HydrophobicContact CD2-CD1 4.48Å; L13-L149 HydrophobicContact CB-CD2 4.46Å; L13-L149 HydrophobicContact CD2-CD2 3.92Å; L13-C152 HydrophobicContact CD1-CB 3.82Å; L13-C152 HydrophobicContact CD2-CB 4.2Å; L13-L156 HydrophobicContact CD1-CD1 3.85Å; L13-I237 HydrophobicContact CD2-CD1 4Å; L13-I237 HydrophobicContact CD2-CG1 4.46Å; L13-I237 HydrophobicContact CD2-CG2 4.35Å |
| 14 | D | 92.6 | Very high | 90.6 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.5 | -71.7 | -26.4 | 0 | 0 | 0 | 111.3 | V10 L11 A17 L18 L192 V195 | V10-D14 PolarHBondContact O-N 3.17Å; L11-D14 PolarHBondContact O-N 3.39Å; D14-A17 PolarHBondContact O-N 3.41Å; D14-L18 WeakPolarHBondContact O-CB 3.27Å; D14-L18 PolarHBondContact O-N 3.09Å; D14-L192 WeakPolarHBondContact OD1-CD1 3.38Å; D14-V195 HydrophobicContact CB-CG1 4.47Å |
| 15 | V | 93.6 | Very high | 91.4 | Very high | 58 Ų | 58 | 34.8 Ų | 34.8 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | L11 N12 S19 T233 | L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.24Å; N12-V15 PolarHBondContact O-N 2.83Å; V15-S19 WeakPolarHBondContact O-CB 3.17Å; V15-S19 PolarHBondContact O-N 3.39Å; V15-S19 PolarHBondContact O-OG 3.16Å; V15-T233 HydrophobicContact CB-CG2 4.02Å; V15-T233 HydrophobicContact CG1-CG2 3.53Å |
| 16 | L | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.8 | -51.5 | 172.2 | 175 | 66.1 | 0 | 0 | 0 | 110.6 | N12 L13 L18 S19 V20 L101 V105 L149 S230 I237 | N12-L16 WeakPolarHBondContact O-CB 3.33Å; N12-L16 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 3.49Å; L16-L18 PolarHBondContact O-N 3.47Å; L16-S19 PolarHBondContact O-N 3.1Å; L16-S19 PolarHBondContact O-OG 3.44Å; L16-S19 VanDerWaalsContact O-OG 3.06Å; L16-V20 HydrophobicContact CD1-CG2 3.81Å; L16-V20 HydrophobicContact CG-CG2 4.42Å; L16-V20 WeakPolarHBondContact O-CB 3.42Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.46Å; L16-L101 HydrophobicContact CD2-CD1 4.19Å; L16-L101 HydrophobicContact CD2-CD2 4.31Å; L16-V105 HydrophobicContact CD1-CG2 4.15Å; L16-L149 HydrophobicContact CD2-CD2 4.38Å; L16-S230 WeakPolarHBondContact CD1-O 3.31Å; L16-I237 HydrophobicContact CB-CD1 3.99Å; L16-I237 HydrophobicContact CD2-CD1 3.44Å; L16-I237 VanDerWaalsContact CD2-CD1 3.44Å; L16-I237 HydrophobicContact CG-CD1 4.26Å |
| 17 | A | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.9 | -50.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L13 D14 S19 F21 L149 L192 I196 | L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.97Å; D14-A17 PolarHBondContact O-N 3.41Å; A17-S19 PolarHBondContact O-N 3.4Å; A17-F21 VanDerWaalsContact O-CB 3.31Å; A17-F21 WeakPolarHBondContact O-CB 3.33Å; A17-F21 WeakPolarHBondContact O-CD2 3.27Å; A17-F21 PolarHBondContact O-N 3.03Å; A17-L149 HydrophobicContact CB-CD1 3.51Å; A17-L192 HydrophobicContact CB-CD1 3.84Å; A17-I196 HydrophobicContact CB-CD1 4.27Å; A17-I196 HydrophobicContact CB-CG1 3.88Å |
| 18 | L | 94.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 25.2 Ų | 25.2 | 38% | 0.382 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.5 | -49.8 | -179.3 | -176.8 | 63.7 | 0 | 0 | 0 | 111.7 | D14 L16 V22 V195 G199 | D14-L18 WeakPolarHBondContact O-CB 3.27Å; D14-L18 PolarHBondContact O-N 3.09Å; L16-L18 PolarHBondContact O-N 3.47Å; L18-V22 HydrophobicContact CD1-CG2 4Å; L18-V22 HydrophobicContact CG-CG2 4.38Å; L18-V22 VanDerWaalsContact O-CB 3.23Å; L18-V22 WeakPolarHBondContact O-CB 3.1Å; L18-V22 WeakPolarHBondContact O-CG2 3.31Å; L18-V22 PolarHBondContact O-N 3.33Å; L18-V195 HydrophobicContact CB-CG1 4.05Å; L18-V195 HydrophobicContact CD1-CG1 4.28Å; L18-G199 VanDerWaalsContact CD1-CA 3.45Å |
| 19 | S | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66 | -46.5 | -177 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | V15 L16 A17 S23 S230 | V15-S19 WeakPolarHBondContact O-CB 3.17Å; V15-S19 PolarHBondContact O-N 3.39Å; V15-S19 PolarHBondContact O-OG 3.16Å; L16-S19 PolarHBondContact O-N 3.1Å; L16-S19 PolarHBondContact O-OG 3.44Å; L16-S19 VanDerWaalsContact O-OG 3.06Å; A17-S19 PolarHBondContact O-N 3.4Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-N 3.13Å; S19-S230 VanDerWaalsContact OG-CA 3.3Å; S19-S230 WeakPolarHBondContact OG-CA 3.18Å; S19-S230 WeakPolarHBondContact OG-CB 3.37Å; S19-S230 PolarHBondContact OG-N 2.73Å |
| 20 | V | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.4 | -51.9 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | L16 V22 S23 V24 V105 L142 V145 | L16-V20 HydrophobicContact CD1-CG2 3.81Å; L16-V20 HydrophobicContact CG-CG2 4.42Å; L16-V20 WeakPolarHBondContact O-CB 3.42Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.46Å; V20-V22 PolarHBondContact O-N 3.34Å; V20-S23 PolarHBondContact O-N 3.17Å; V20-V24 HydrophobicContact CG1-CG2 4.07Å; V20-V24 WeakPolarHBondContact O-CB 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.47Å; V20-V24 PolarHBondContact O-N 3.33Å; V20-V105 HydrophobicContact CG2-CG2 4Å; V20-L142 HydrophobicContact CG1-CD2 4.39Å; V20-V145 HydrophobicContact CG1-CG2 4.32Å |
| 21 | F | 95.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | -176.8 | -82.3 | -98.5 | 0 | 0 | 0 | 112.1 | A17 S25 L142 V145 L149 I196 M200 | A17-F21 VanDerWaalsContact O-CB 3.31Å; A17-F21 WeakPolarHBondContact O-CB 3.33Å; A17-F21 WeakPolarHBondContact O-CD2 3.27Å; A17-F21 PolarHBondContact O-N 3.03Å; F21-S25 WeakPolarHBondContact O-CB 3.49Å; F21-S25 PolarHBondContact O-N 3.49Å; F21-S25 PolarHBondContact O-OG 3.34Å; F21-L142 HydrophobicContact CD1-CD1 4.24Å; F21-L142 HydrophobicContact CD1-CD2 3.67Å; F21-L142 HydrophobicContact CD1-CG 4.45Å; F21-L142 HydrophobicContact CD2-CD2 4.21Å; F21-L142 HydrophobicContact CE1-CB 4.08Å; F21-L142 HydrophobicContact CE1-CD1 4.3Å; F21-L142 HydrophobicContact CE1-CD2 3.7Å; F21-L142 HydrophobicContact CE1-CG 4.26Å; F21-L142 HydrophobicContact CE2-CD2 4.25Å; F21-L142 HydrophobicContact CG-CD2 3.95Å; F21-L142 HydrophobicContact CZ-CB 4.39Å; F21-L142 HydrophobicContact CZ-CD2 4Å; F21-V145 HydrophobicContact CD2-CG1 4.47Å; F21-V145 HydrophobicContact CE2-CB 4.08Å; F21-V145 HydrophobicContact CE2-CG1 3.69Å; F21-V145 HydrophobicContact CZ-CB 4.37Å; F21-V145 HydrophobicContact CZ-CG1 4.44Å; F21-L149 HydrophobicContact CE2-CD1 4.16Å; F21-I196 HydrophobicContact CB-CG2 4.31Å; F21-I196 HydrophobicContact CD1-CG2 3.36Å; F21-I196 HydrophobicContact CD2-CD1 4.34Å; F21-I196 HydrophobicContact CD2-CG1 4.03Å; F21-I196 HydrophobicContact CD2-CG2 4.15Å; F21-I196 HydrophobicContact CE1-CG2 3.53Å; F21-I196 HydrophobicContact CE2-CD1 3.89Å; F21-I196 HydrophobicContact CE2-CG1 4.09Å; F21-I196 HydrophobicContact CE2-CG2 4.29Å; F21-I196 HydrophobicContact CG-CB 4.49Å; F21-I196 HydrophobicContact CG-CG1 4.33Å; F21-I196 HydrophobicContact CG-CG2 3.68Å; F21-I196 HydrophobicContact CZ-CD1 4.08Å; F21-I196 HydrophobicContact CZ-CG1 4.48Å; F21-I196 HydrophobicContact CZ-CG2 4.01Å; F21-M200 HydrophobicContact CB-CG 4.13Å; F21-M200 HydrophobicContact CD1-CG 4.11Å; F21-M200 HydrophobicContact CD1-SD 3.84Å; F21-M200 HydrophobicContact CE1-SD 4.48Å |
| 22 | V | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.024 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.8 | -55.1 | 173.3 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | L18 V20 V24 S25 M26 G199 F202 A203 F226 | L18-V22 HydrophobicContact CD1-CG2 4Å; L18-V22 HydrophobicContact CG-CG2 4.38Å; L18-V22 VanDerWaalsContact O-CB 3.23Å; L18-V22 WeakPolarHBondContact O-CB 3.1Å; L18-V22 WeakPolarHBondContact O-CG2 3.31Å; L18-V22 PolarHBondContact O-N 3.33Å; V20-V22 PolarHBondContact O-N 3.34Å; V22-V24 PolarHBondContact O-N 3.25Å; V22-S25 PolarHBondContact O-N 2.88Å; V22-M26 HydrophobicContact CG1-SD 4.42Å; V22-M26 VanDerWaalsContact O-CG 3.29Å; V22-M26 WeakPolarHBondContact O-CG 3.03Å; V22-M26 PolarHBondContact O-N 2.65Å; V22-G199 WeakPolarHBondContact CG2-O 3.49Å; V22-F202 HydrophobicContact CG1-CD1 4.34Å; V22-F202 HydrophobicContact CG2-CD1 4.46Å; V22-A203 HydrophobicContact CB-CB 4.45Å; V22-A203 HydrophobicContact CG1-CB 4.1Å; V22-A203 WeakPolarHBondContact O-CB 3.35Å; V22-F226 HydrophobicContact CG1-CB 4.07Å; V22-F226 HydrophobicContact CG1-CD1 3.67Å; V22-F226 HydrophobicContact CG1-CD2 4.14Å; V22-F226 HydrophobicContact CG1-CE1 4.12Å; V22-F226 HydrophobicContact CG1-CG 3.7Å |
| 23 | S | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | -176.7 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | S19 V20 S25 M26 S27 I112 C223 | S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-N 3.13Å; V20-S23 PolarHBondContact O-N 3.17Å; S23-S25 PolarHBondContact O-N 2.7Å; S23-M26 WeakPolarHBondContact O-CB 3.3Å; S23-M26 PolarHBondContact O-N 3.37Å; S23-S27 PolarHBondContact O-N 3Å; S23-I112 VanDerWaalsContact OG-CD1 3.27Å; S23-I112 WeakPolarHBondContact OG-CD1 3.47Å; S23-C223 PolarHBondContact O-SG 3.24Å; S23-C223 PolarHBondContact OG-O 3.09Å |
| 24 | V | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -179 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | V20 V22 S27 F28 E108 I112 L142 | V20-V24 HydrophobicContact CG1-CG2 4.07Å; V20-V24 WeakPolarHBondContact O-CB 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.47Å; V20-V24 PolarHBondContact O-N 3.33Å; V22-V24 PolarHBondContact O-N 3.25Å; V24-S27 WeakPolarHBondContact O-CB 3.35Å; V24-S27 PolarHBondContact O-N 2.74Å; V24-F28 HydrophobicContact CG1-CD2 3.78Å; V24-F28 HydrophobicContact CG1-CE2 3.62Å; V24-F28 VanDerWaalsContact O-CD2 3.31Å; V24-F28 WeakPolarHBondContact O-CD2 3.28Å; V24-F28 PolarHBondContact O-N 3.38Å; V24-E108 WeakPolarHBondContact CG1-OE2 3.48Å; V24-E108 HydrophobicContact CG2-CB 3.86Å; V24-E108 HydrophobicContact CG2-CG 3.89Å; V24-E108 WeakPolarHBondContact CG2-OE2 3.41Å; V24-I112 HydrophobicContact CG2-CD1 4.28Å; V24-L142 HydrophobicContact CB-CD1 4.32Å; V24-L142 HydrophobicContact CB-CD2 3.91Å; V24-L142 HydrophobicContact CB-CG 4.3Å; V24-L142 HydrophobicContact CG1-CD1 3.69Å; V24-L142 HydrophobicContact CG1-CD2 3.87Å; V24-L142 HydrophobicContact CG1-CG 3.69Å; V24-L142 HydrophobicContact CG2-CD2 4.21Å |
| 25 | S | 93.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 12.1 Ų | 12.1 | 7% | 0.07 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 173.4 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | F21 V22 S23 S27 F28 F29 M200 | F21-S25 WeakPolarHBondContact O-CB 3.49Å; F21-S25 PolarHBondContact O-N 3.49Å; F21-S25 PolarHBondContact O-OG 3.34Å; V22-S25 PolarHBondContact O-N 2.88Å; S23-S25 PolarHBondContact O-N 2.7Å; S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact O-N 3.02Å; S25-F28 PolarHBondContact O-N 2.82Å; S25-F29 WeakPolarHBondContact O-CB 3.29Å; S25-F29 PolarHBondContact O-N 3.29Å; S25-M200 WeakPolarHBondContact OG-CG 3.41Å |
| 26 | M | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 171.4 | -65.8 | -169.7 | 67.5 | 0 | 0 | 110.3 | V22 S23 F28 F29 I30 A203 L206 T207 M210 T219 C223 F226 | V22-M26 HydrophobicContact CG1-SD 4.42Å; V22-M26 VanDerWaalsContact O-CG 3.29Å; V22-M26 WeakPolarHBondContact O-CG 3.03Å; V22-M26 PolarHBondContact O-N 2.65Å; S23-M26 WeakPolarHBondContact O-CB 3.3Å; S23-M26 PolarHBondContact O-N 3.37Å; M26-F28 PolarHBondContact O-N 3.36Å; M26-F29 PolarHBondContact O-N 2.93Å; M26-I30 WeakPolarHBondContact O-CB 3.45Å; M26-I30 WeakPolarHBondContact O-CG1 3.16Å; M26-I30 PolarHBondContact O-N 2.95Å; M26-A203 HydrophobicContact CG-CB 3.75Å; M26-L206 HydrophobicContact CE-CD2 4.4Å; M26-L206 HydrophobicContact SD-CD2 4.49Å; M26-T207 WeakPolarHBondContact CA-OG1 3.45Å; M26-T207 WeakPolarHBondContact CB-OG1 3.48Å; M26-T207 WeakPolarHBondContact CE-OG1 3.33Å; M26-T207 VanDerWaalsContact CG-OG1 3.23Å; M26-T207 WeakPolarHBondContact CG-OG1 3.38Å; M26-M210 HydrophobicContact CE-SD 4.4Å; M26-T219 HydrophobicContact CE-CG2 4.29Å; M26-C223 HydrophobicContact CB-CB 4.06Å; M26-C223 HydrophobicContact CE-CB 4.4Å; M26-C223 HydrophobicContact SD-CB 4.49Å; M26-F226 HydrophobicContact SD-CD2 3.51Å; M26-F226 VanDerWaalsContact SD-CD2 3.51Å; M26-F226 HydrophobicContact SD-CE2 3.9Å; M26-F226 HydrophobicContact SD-CG 4.43Å |
| 27 | S | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 113 | S23 V24 S25 I30 S31 | S23-S27 PolarHBondContact O-N 3Å; V24-S27 WeakPolarHBondContact O-CB 3.35Å; V24-S27 PolarHBondContact O-N 2.74Å; S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact O-N 3.02Å; S27-I30 PolarHBondContact O-N 2.87Å; S27-S31 WeakPolarHBondContact O-CB 3.37Å; S27-S31 PolarHBondContact O-N 3.27Å |
| 28 | F | 92.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 11.2 Ų | 11.2 | 22% | 0.215 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 173.6 | -87.9 | -67.9 | 0 | 0 | 0 | 111.1 | V24 S25 M26 I30 S31 D32 R111 L142 | V24-F28 HydrophobicContact CG1-CD2 3.78Å; V24-F28 HydrophobicContact CG1-CE2 3.62Å; V24-F28 VanDerWaalsContact O-CD2 3.31Å; V24-F28 WeakPolarHBondContact O-CD2 3.28Å; V24-F28 PolarHBondContact O-N 3.38Å; S25-F28 PolarHBondContact O-N 2.82Å; M26-F28 PolarHBondContact O-N 3.36Å; F28-I30 PolarHBondContact O-N 3.43Å; F28-S31 WeakPolarHBondContact O-CB 3.36Å; F28-S31 PolarHBondContact O-N 3.43Å; F28-D32 WeakPolarHBondContact O-CB 3.11Å; F28-D32 VanDerWaalsContact O-CG 3.31Å; F28-D32 PolarHBondContact O-N 3.48Å; F28-R111 VanDerWaalsContact CG-NH2 3.29Å; F28-R111 VanDerWaalsContact CZ-CZ 3.47Å; F28-L142 HydrophobicContact CD2-CD1 4.27Å; F28-L142 HydrophobicContact CE2-CD1 3.68Å; F28-L142 HydrophobicContact CE2-CG 4.44Å |
| 29 | F | 94.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 7.7 Ų | 7.7 | 8% | 0.079 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | -178.4 | -164.2 | -71.9 | 0 | 0 | 0 | 111.5 | S25 M26 D32 Q33 N204 T207 I211 A338 V341 | S25-F29 WeakPolarHBondContact O-CB 3.29Å; S25-F29 PolarHBondContact O-N 3.29Å; M26-F29 PolarHBondContact O-N 2.93Å; F29-D32 PolarHBondContact O-N 3.32Å; F29-Q33 HydrophobicContact CD1-CG 3.62Å; F29-Q33 HydrophobicContact CE1-CG 3.45Å; F29-Q33 VanDerWaalsContact CE1-CG 3.45Å; F29-Q33 HydrophobicContact CZ-CG 4.36Å; F29-Q33 WeakPolarHBondContact O-CB 3.19Å; F29-Q33 VanDerWaalsContact O-CG 3.22Å; F29-Q33 WeakPolarHBondContact O-CG 3.09Å; F29-Q33 PolarHBondContact O-N 3.32Å; F29-N204 HydrophobicContact CD2-CB 4.25Å; F29-N204 HydrophobicContact CE2-CB 4.44Å; F29-T207 HydrophobicContact CB-CG2 3.96Å; F29-T207 HydrophobicContact CD1-CG2 3.57Å; F29-T207 HydrophobicContact CE1-CG2 4.42Å; F29-T207 HydrophobicContact CG-CG2 4.02Å; F29-I211 HydrophobicContact CD1-CD1 3.95Å; F29-I211 HydrophobicContact CE1-CD1 4.16Å; F29-A338 HydrophobicContact CE1-CB 4.41Å; F29-V341 HydrophobicContact CE2-CG1 4.42Å; F29-V341 HydrophobicContact CZ-CG1 4.45Å |
| 30 | I | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 173.5 | -70.6 | 165.7 | 0 | 0 | 0 | 110.6 | M26 S27 F28 D32 Q33 F34 V115 V119 T207 I211 F216 T219 M220 C223 | M26-I30 WeakPolarHBondContact O-CB 3.45Å; M26-I30 WeakPolarHBondContact O-CG1 3.16Å; M26-I30 PolarHBondContact O-N 2.95Å; S27-I30 PolarHBondContact O-N 2.87Å; F28-I30 PolarHBondContact O-N 3.43Å; I30-D32 PolarHBondContact O-N 2.94Å; I30-Q33 PolarHBondContact O-N 3.03Å; I30-F34 WeakPolarHBondContact O-CB 3.4Å; I30-F34 PolarHBondContact O-N 3.18Å; I30-V115 HydrophobicContact CG2-CG1 4.46Å; I30-V119 HydrophobicContact CG2-CG2 4.03Å; I30-T207 HydrophobicContact CD1-CG2 4.46Å; I30-T207 HydrophobicContact CG1-CG2 3.68Å; I30-I211 HydrophobicContact CG1-CD1 4.45Å; I30-F216 HydrophobicContact CG2-CD1 4.14Å; I30-T219 HydrophobicContact CD1-CG2 3.87Å; I30-T219 HydrophobicContact CG1-CG2 3.93Å; I30-M220 HydrophobicContact CD1-SD 3.69Å; I30-M220 HydrophobicContact CG2-SD 4.38Å; I30-C223 HydrophobicContact CD1-CB 3.94Å |
| 31 | S | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | S27 F28 F34 I35 K73 | S27-S31 WeakPolarHBondContact O-CB 3.37Å; S27-S31 PolarHBondContact O-N 3.27Å; F28-S31 WeakPolarHBondContact O-CB 3.36Å; F28-S31 PolarHBondContact O-N 3.43Å; S31-F34 PolarHBondContact O-N 3.38Å; S31-I35 VanDerWaalsContact O-CG1 3.29Å; S31-I35 WeakPolarHBondContact O-CG1 3.4Å; S31-I35 PolarHBondContact O-N 3.48Å; S31-K73 PolarHBondContact OG-NZ 2.97Å |
| 32 | D | 92 | Very high | 93.3 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 6% | 0.064 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | -177.6 | -73.4 | 0.8 | 0 | 0 | 0 | 111.9 | F28 F29 I30 Y36 Q70 K73 Y326 | F28-D32 WeakPolarHBondContact O-CB 3.11Å; F28-D32 VanDerWaalsContact O-CG 3.31Å; F28-D32 PolarHBondContact O-N 3.48Å; F29-D32 PolarHBondContact O-N 3.32Å; I30-D32 PolarHBondContact O-N 2.94Å; D32-Y36 PolarHBondContact O-N 2.51Å; D32-Q70 PolarHBondContact OD1-NE2 3.22Å; D32-Q70 PolarHBondContact OD1-OE1 3.08Å; D32-K73 IonicContact OD1-NZ 2.69Å; D32-K73 PolarHBondContact OD1-NZ 3.13Å; D32-Y326 HydrophobicContact CB-CD1 4.28Å; D32-Y326 HydrophobicContact CB-CE1 3.68Å; D32-Y326 HydrophobicContact CB-CE2 4.48Å; D32-Y326 PolarHBondContact O-OH 3.42Å |
| 33 | Q | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.3 | -43.1 | 174.7 | -67.8 | -61 | -44.9 | 0 | 0 | 111.6 | F29 I30 I35 Y36 Y37 I211 F216 A338 | F29-Q33 HydrophobicContact CD1-CG 3.62Å; F29-Q33 HydrophobicContact CE1-CG 3.45Å; F29-Q33 VanDerWaalsContact CE1-CG 3.45Å; F29-Q33 HydrophobicContact CZ-CG 4.36Å; F29-Q33 WeakPolarHBondContact O-CB 3.19Å; F29-Q33 VanDerWaalsContact O-CG 3.22Å; F29-Q33 WeakPolarHBondContact O-CG 3.09Å; F29-Q33 PolarHBondContact O-N 3.32Å; I30-Q33 PolarHBondContact O-N 3.03Å; Q33-I35 VanDerWaalsContact C-N 3.32Å; Q33-I35 PolarHBondContact O-N 3.36Å; Q33-Y36 WeakPolarHBondContact O-CB 3.33Å; Q33-Y36 PolarHBondContact O-N 3Å; Q33-Y36 VanDerWaalsContact O-N 3.13Å; Q33-Y37 HydrophobicContact CB-CD2 4.26Å; Q33-Y37 HydrophobicContact CB-CE2 4.12Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.48Å; Q33-Y37 PolarHBondContact O-N 3.3Å; Q33-I211 HydrophobicContact CB-CD1 3.85Å; Q33-I211 HydrophobicContact CG-CD1 3.87Å; Q33-F216 HydrophobicContact CB-CE1 3.95Å; Q33-F216 HydrophobicContact CB-CZ 3.92Å; Q33-A338 HydrophobicContact CG-CB 4.39Å |
| 34 | F | 94.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 178.6 | -177.9 | -92 | 0 | 0 | 0 | 111.6 | I30 S31 Y36 S38 V118 V119 L128 F216 | I30-F34 WeakPolarHBondContact O-CB 3.4Å; I30-F34 PolarHBondContact O-N 3.18Å; S31-F34 PolarHBondContact O-N 3.38Å; F34-Y36 VanDerWaalsContact C-N 3.34Å; F34-Y36 PolarHBondContact O-N 3.19Å; F34-S38 VanDerWaalsContact O-CB 3.24Å; F34-S38 WeakPolarHBondContact O-CB 3.49Å; F34-S38 PolarHBondContact O-N 3.42Å; F34-S38 PolarHBondContact O-OG 3.47Å; F34-V118 HydrophobicContact CE1-CG1 3.95Å; F34-V118 HydrophobicContact CZ-CG1 4.39Å; F34-V119 HydrophobicContact CD2-CG2 4.06Å; F34-V119 HydrophobicContact CE2-CG2 4.44Å; F34-V119 HydrophobicContact CG-CG2 4.3Å; F34-L128 HydrophobicContact CD1-CD1 3.89Å; F34-F216 HydrophobicContact CB-CD1 4.35Å; F34-F216 HydrophobicContact CB-CE1 3.98Å; F34-F216 HydrophobicContact CB-CZ 4.48Å; F34-F216 HydrophobicContact CD2-CD1 4.38Å; F34-F216 HydrophobicContact CD2-CG 4.47Å |
| 35 | I | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 174.8 | -68.9 | 164.3 | 0 | 0 | 0 | 110.4 | S31 Q33 S38 C39 A66 I69 Q70 K73 P125 L128 | S31-I35 VanDerWaalsContact O-CG1 3.29Å; S31-I35 WeakPolarHBondContact O-CG1 3.4Å; S31-I35 PolarHBondContact O-N 3.48Å; Q33-I35 VanDerWaalsContact C-N 3.32Å; Q33-I35 PolarHBondContact O-N 3.36Å; I35-S38 PolarHBondContact O-N 3.43Å; I35-C39 WeakPolarHBondContact O-CB 3.49Å; I35-C39 PolarHBondContact O-N 3.35Å; I35-C39 PolarHBondContact O-SG 3.45Å; I35-A66 HydrophobicContact CG2-CB 3.92Å; I35-I69 HydrophobicContact CD1-CG2 4.06Å; I35-I69 HydrophobicContact CG1-CG2 4.25Å; I35-I69 HydrophobicContact CG2-CB 4.13Å; I35-I69 HydrophobicContact CG2-CD1 4.35Å; I35-I69 HydrophobicContact CG2-CG2 4.07Å; I35-Q70 VanDerWaalsContact CD1-OE1 3.26Å; I35-K73 HydrophobicContact CD1-CD 4.07Å; I35-P125 HydrophobicContact CG1-CB 4.09Å; I35-L128 HydrophobicContact CD1-CD1 3.83Å; I35-L128 HydrophobicContact CG1-CD1 3.48Å; I35-L128 VanDerWaalsContact CG1-CD1 3.48Å |
| 36 | Y | 91.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -51.7 | -178.9 | 177.4 | -105.4 | 0 | 0 | 0 | 112.5 | D32 Q33 F34 S38 C39 L40 L59 Q63 Y326 L327 M330 | D32-Y36 PolarHBondContact O-N 2.51Å; Q33-Y36 WeakPolarHBondContact O-CB 3.33Å; Q33-Y36 PolarHBondContact O-N 3Å; Q33-Y36 VanDerWaalsContact O-N 3.13Å; F34-Y36 VanDerWaalsContact C-N 3.34Å; F34-Y36 PolarHBondContact O-N 3.19Å; Y36-S38 PolarHBondContact O-N 3.02Å; Y36-C39 PolarHBondContact O-N 3.17Å; Y36-L40 HydrophobicContact CD1-CD1 3.95Å; Y36-L40 HydrophobicContact CE1-CD1 3.38Å; Y36-L40 HydrophobicContact CE1-CG 4.31Å; Y36-L40 HydrophobicContact CE2-CD1 4.33Å; Y36-L40 HydrophobicContact CE2-CG 4.49Å; Y36-L40 PolarHBondContact O-N 3.31Å; Y36-L59 HydrophobicContact CE2-CD1 4.43Å; Y36-L59 VanDerWaalsContact OH-CD1 3.31Å; Y36-L59 WeakPolarHBondContact OH-CD1 3.44Å; Y36-Q63 HydrophobicContact CE2-CG 3.95Å; Y36-Y326 HydrophobicContact CG-CE2 4.49Å; Y36-L327 HydrophobicContact CD2-CD2 3.82Å; Y36-L327 HydrophobicContact CE2-CD2 4.38Å; Y36-M330 HydrophobicContact CD1-CE 3.88Å; Y36-M330 HydrophobicContact CD1-SD 3.83Å; Y36-M330 HydrophobicContact CE1-CB 4.38Å; Y36-M330 HydrophobicContact CE1-CE 3.56Å; Y36-M330 HydrophobicContact CE1-SD 3.71Å; Y36-M330 HydrophobicContact CE2-CB 4.44Å; Y36-M330 HydrophobicContact CG-SD 4.37Å |
| 37 | Y | 92 | Very high | 90.4 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 7% | 0.071 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -35.7 | 179.5 | -71.6 | -66.7 | 0 | 0 | 0 | 112.9 | Q33 C39 L40 S41 Y47 W48 I211 F216 | Q33-Y37 HydrophobicContact CB-CD2 4.26Å; Q33-Y37 HydrophobicContact CB-CE2 4.12Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.48Å; Q33-Y37 PolarHBondContact O-N 3.3Å; Y37-C39 VanDerWaalsContact C-N 3.33Å; Y37-L40 HydrophobicContact CD1-CD1 4.25Å; Y37-L40 PolarHBondContact O-N 3.26Å; Y37-S41 WeakPolarHBondContact O-CB 3.35Å; Y37-S41 PolarHBondContact O-N 3.44Å; Y37-Y47 HydrophobicContact CD1-CD1 4.24Å; Y37-Y47 HydrophobicContact CD1-CG 4.01Å; Y37-Y47 AromaticContact CE1-CD1 3.34Å; Y37-Y47 HydrophobicContact CE1-CD1 3.34Å; Y37-Y47 AromaticContact CE1-CD2 3.99Å; Y37-Y47 HydrophobicContact CE1-CD2 3.99Å; Y37-Y47 AromaticContact CE1-CE1 3.76Å; Y37-Y47 HydrophobicContact CE1-CE1 3.76Å; Y37-Y47 HydrophobicContact CE1-CE2 4.37Å; Y37-Y47 AromaticContact CE1-CG 3.44Å; Y37-Y47 HydrophobicContact CE1-CG 3.44Å; Y37-Y47 VanDerWaalsContact CE1-CG 3.44Å; Y37-W48 HydrophobicContact CE1-CZ2 4.42Å; Y37-I211 HydrophobicContact CE2-CG2 4.23Å; Y37-F216 AromaticContact CD2-CE2 3.73Å; Y37-F216 HydrophobicContact CD2-CE2 3.73Å; Y37-F216 AromaticContact CD2-CZ 3.49Å; Y37-F216 HydrophobicContact CD2-CZ 3.49Å; Y37-F216 VanDerWaalsContact CD2-CZ 3.49Å; Y37-F216 HydrophobicContact CE2-CE2 4.28Å; Y37-F216 AromaticContact CE2-CZ 3.94Å; Y37-F216 HydrophobicContact CE2-CZ 3.94Å; Y37-F216 HydrophobicContact CG-CE2 4.37Å; Y37-F216 HydrophobicContact CG-CZ 4.47Å |
| 38 | S | 92.7 | Very high | 89.5 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.9 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | F34 I35 Y36 L40 S41 D42 | F34-S38 VanDerWaalsContact O-CB 3.24Å; F34-S38 WeakPolarHBondContact O-CB 3.49Å; F34-S38 PolarHBondContact O-N 3.42Å; F34-S38 PolarHBondContact O-OG 3.47Å; I35-S38 PolarHBondContact O-N 3.43Å; Y36-S38 PolarHBondContact O-N 3.02Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L40 PolarHBondContact O-N 3.05Å; S38-S41 PolarHBondContact O-N 2.95Å; S38-D42 PolarHBondContact O-N 3.12Å |
| 39 | C | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 178 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | I35 Y36 Y37 Q43 A62 A66 | I35-C39 WeakPolarHBondContact O-CB 3.49Å; I35-C39 PolarHBondContact O-N 3.35Å; I35-C39 PolarHBondContact O-SG 3.45Å; Y36-C39 PolarHBondContact O-N 3.17Å; Y37-C39 VanDerWaalsContact C-N 3.33Å; C39-Q43 WeakPolarHBondContact O-CG 3.43Å; C39-Q43 PolarHBondContact O-N 2.99Å; C39-A62 HydrophobicContact CB-CB 4.27Å; C39-A62 WeakPolarHBondContact CB-O 3.16Å; C39-A62 WeakPolarHBondContact O-CB 2.97Å; C39-A66 HydrophobicContact CB-CB 4.33Å |
| 40 | L | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 171.1 | -75.2 | 174.3 | 0 | 0 | 0 | 111.7 | Y36 Y37 S38 D42 Q43 G44 I45 Y47 L59 A62 | Y36-L40 HydrophobicContact CD1-CD1 3.95Å; Y36-L40 HydrophobicContact CE1-CD1 3.38Å; Y36-L40 HydrophobicContact CE1-CG 4.31Å; Y36-L40 HydrophobicContact CE2-CD1 4.33Å; Y36-L40 HydrophobicContact CE2-CG 4.49Å; Y36-L40 PolarHBondContact O-N 3.31Å; Y37-L40 HydrophobicContact CD1-CD1 4.25Å; Y37-L40 PolarHBondContact O-N 3.26Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L40 PolarHBondContact O-N 3.05Å; L40-D42 VanDerWaalsContact C-N 3.26Å; L40-D42 PolarHBondContact O-N 3.09Å; L40-Q43 CarbonylContact O-C 3.57Å; L40-Q43 WeakPolarHBondContact O-CA 3.43Å; L40-Q43 PolarHBondContact O-N 3.32Å; L40-G44 PolarHBondContact O-N 3.36Å; L40-I45 CarbonylContact C-O 3.59Å; L40-I45 HydrophobicContact CB-CB 4.39Å; L40-I45 HydrophobicContact CD2-CB 4.43Å; L40-I45 HydrophobicContact CD2-CD1 4.19Å; L40-I45 HydrophobicContact CD2-CG2 4.32Å; L40-I45 PolarHBondContact O-N 3.39Å; L40-Y47 HydrophobicContact CD1-CD2 3.89Å; L40-Y47 HydrophobicContact CD1-CG 4.43Å; L40-L59 HydrophobicContact CD2-CD1 3.83Å; L40-A62 HydrophobicContact CD2-CB 3.69Å; L40-A62 HydrophobicContact CG-CB 4.2Å |
| 41 | S | 88.8 | Confident | 86 | Confident | 81 Ų | 81 | 41.3 Ų | 41.3 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.7 | -38 | 177.1 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | Y37 S38 Q43 G44 | Y37-S41 WeakPolarHBondContact O-CB 3.35Å; Y37-S41 PolarHBondContact O-N 3.44Å; S38-S41 PolarHBondContact O-N 2.95Å; S41-Q43 PolarHBondContact O-N 3.3Å; S41-G44 PolarHBondContact O-N 2.86Å |
| 42 | D | 89 | Confident | 84.8 | Confident | 93 Ų | 93 | 46.5 Ų | 46.5 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -26.7 | 174.7 | -75 | -13.2 | 0 | 0 | 0 | 113.1 | S38 L40 G44 K65 | S38-D42 PolarHBondContact O-N 3.12Å; L40-D42 VanDerWaalsContact C-N 3.26Å; L40-D42 PolarHBondContact O-N 3.09Å; D42-G44 VanDerWaalsContact C-N 3.28Å; D42-K65 IonicContact OD2-NZ 2.64Å; D42-K65 PolarHBondContact OD2-NZ 2.77Å |
| 43 | Q | 87.4 | Confident | 83.6 | Confident | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 8.7 | 175.2 | -60.9 | -61.2 | -24 | 0 | 0 | 112.6 | C39 L40 S41 I45 A62 | C39-Q43 WeakPolarHBondContact O-CG 3.43Å; C39-Q43 PolarHBondContact O-N 2.99Å; L40-Q43 CarbonylContact O-C 3.57Å; L40-Q43 WeakPolarHBondContact O-CA 3.43Å; L40-Q43 PolarHBondContact O-N 3.32Å; S41-Q43 PolarHBondContact O-N 3.3Å; Q43-I45 VanDerWaalsContact C-N 3.26Å; Q43-I45 HydrophobicContact CB-CD1 4.31Å; Q43-I45 HydrophobicContact CB-CG1 4.33Å; Q43-I45 PolarHBondContact O-N 2.98Å; Q43-A62 HydrophobicContact CG-CB 3.95Å |
| 44 | G | 84.7 | Confident | 82.2 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 73% | 0.732 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 13.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L40 S41 D42 | L40-G44 PolarHBondContact O-N 3.36Å; S41-G44 PolarHBondContact O-N 2.86Å; D42-G44 VanDerWaalsContact C-N 3.28Å |
| 45 | I | 83.7 | Confident | 81.1 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | trans | -97.2 | 103 | -178 | -59.6 | 176.3 | 0 | 0 | 0 | 109 | L40 Q43 Y47 A50 F55 | L40-I45 CarbonylContact C-O 3.59Å; L40-I45 HydrophobicContact CB-CB 4.39Å; L40-I45 HydrophobicContact CD2-CB 4.43Å; L40-I45 HydrophobicContact CD2-CD1 4.19Å; L40-I45 HydrophobicContact CD2-CG2 4.32Å; L40-I45 PolarHBondContact O-N 3.39Å; Q43-I45 VanDerWaalsContact C-N 3.26Å; Q43-I45 HydrophobicContact CB-CD1 4.31Å; Q43-I45 HydrophobicContact CB-CG1 4.33Å; Q43-I45 PolarHBondContact O-N 2.98Å; I45-Y47 PolarHBondContact O-N 2.84Å; I45-Y47 VanDerWaalsContact O-N 3.16Å; I45-A50 HydrophobicContact CG2-CB 4.33Å; I45-F55 HydrophobicContact CD1-CD1 4.46Å; I45-F55 HydrophobicContact CG2-CD1 3.51Å; I45-F55 HydrophobicContact CG2-CE1 3.28Å | ||
| 46 | D | 82.4 | Confident | 79.8 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -79.5 | 95.4 | 166.4 | -171.5 | -12.2 | 0 | 0 | 0 | 109.6 | W48 L49 A50 | D46-W48 PolarHBondContact O-N 3.18Å; D46-W48 WeakPolarHBondContact OD1-CB 3.49Å; D46-W48 PolarHBondContact OD1-N 3.31Å; D46-L49 HydrophobicContact CB-CB 4.4Å; D46-L49 PolarHBondContact O-N 2.87Å; D46-L49 VanDerWaalsContact OD2-CD1 3.31Å; D46-L49 WeakPolarHBondContact OD2-CD1 3.42Å; D46-A50 WeakPolarHBondContact O-CB 3.22Å; D46-A50 PolarHBondContact O-N 3.09Å | ||
| 47 | Y | 77.6 | Confident | 78.7 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 11% | 0.114 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -31 | 179.9 | -175.5 | -91.6 | 0 | 0 | 0 | 113.9 | Y37 L40 I45 L49 F55 D337 | Y37-Y47 HydrophobicContact CD1-CD1 4.24Å; Y37-Y47 HydrophobicContact CD1-CG 4.01Å; Y37-Y47 AromaticContact CE1-CD1 3.34Å; Y37-Y47 HydrophobicContact CE1-CD1 3.34Å; Y37-Y47 AromaticContact CE1-CD2 3.99Å; Y37-Y47 HydrophobicContact CE1-CD2 3.99Å; Y37-Y47 AromaticContact CE1-CE1 3.76Å; Y37-Y47 HydrophobicContact CE1-CE1 3.76Å; Y37-Y47 HydrophobicContact CE1-CE2 4.37Å; Y37-Y47 AromaticContact CE1-CG 3.44Å; Y37-Y47 HydrophobicContact CE1-CG 3.44Å; Y37-Y47 VanDerWaalsContact CE1-CG 3.44Å; L40-Y47 HydrophobicContact CD1-CD2 3.89Å; L40-Y47 HydrophobicContact CD1-CG 4.43Å; I45-Y47 PolarHBondContact O-N 2.84Å; I45-Y47 VanDerWaalsContact O-N 3.16Å; Y47-L49 VanDerWaalsContact C-N 3.26Å; Y47-L49 PolarHBondContact O-N 3.31Å; Y47-F55 HydrophobicContact CD2-CE1 4Å; Y47-F55 AromaticContact CD2-CZ 3.72Å; Y47-F55 HydrophobicContact CD2-CZ 3.72Å; Y47-F55 HydrophobicContact CE2-CZ 4.12Å; Y47-F55 HydrophobicContact CG-CZ 4.45Å; Y47-D337 VanDerWaalsContact OH-CA 3.23Å; Y47-D337 WeakPolarHBondContact OH-CA 3.36Å; Y47-D337 WeakPolarHBondContact OH-CB 3.31Å |
| 48 | W | 77.7 | Confident | 78.3 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 26% | 0.258 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -19.3 | -175.1 | -52.7 | 103.7 | 0 | 0 | 0 | 112.9 | Y37 D46 I211 F216 | Y37-W48 HydrophobicContact CE1-CZ2 4.42Å; D46-W48 PolarHBondContact O-N 3.18Å; D46-W48 WeakPolarHBondContact OD1-CB 3.49Å; D46-W48 PolarHBondContact OD1-N 3.31Å; W48-I211 HydrophobicContact CH2-CG2 4.26Å; W48-I211 WeakPolarHBondContact CH2-O 3.43Å; W48-F216 HydrophobicContact CZ2-CE2 4.45Å |
| 49 | L | 73.8 | Confident | 78 | Confident | 146 Ų | 146 | 65.2 Ų | 65.2 | 76% | 0.764 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -21.9 | -178.3 | -63.5 | 176.4 | 0 | 0 | 0 | 112.6 | D46 Y47 | D46-L49 HydrophobicContact CB-CB 4.4Å; D46-L49 PolarHBondContact O-N 2.87Å; D46-L49 VanDerWaalsContact OD2-CD1 3.31Å; D46-L49 WeakPolarHBondContact OD2-CD1 3.42Å; Y47-L49 VanDerWaalsContact C-N 3.26Å; Y47-L49 PolarHBondContact O-N 3.31Å |
| 50 | A | 64.8 | Low | 77.6 | Confident | 30 Ų | 30 | 68.6 Ų | 68.6 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | trans | -68.9 | 131.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I45 D46 F55 | I45-A50 HydrophobicContact CG2-CB 4.33Å; D46-A50 WeakPolarHBondContact O-CB 3.22Å; D46-A50 PolarHBondContact O-N 3.09Å; A50-F55 HydrophobicContact CB-CD1 4.48Å; A50-F55 HydrophobicContact CB-CE1 3.64Å; A50-F55 HydrophobicContact CB-CE2 4.44Å; A50-F55 HydrophobicContact CB-CZ 3.6Å | ||
| 51 | N | 68.5 | Low | 77.5 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | trans | -70.2 | 146.3 | 169.7 | -161.5 | 4.6 | 0 | 0 | 0 | 109 | S53 D54 | N51-S53 PolarHBondContact ND2-OG 2.79Å; N51-S53 PolarHBondContact O-N 2.93Å; N51-D54 PolarHBondContact O-N 2.89Å | ||
| 52 | K | 71 | Confident | 77.6 | Confident | 109 Ų | 109 | 68.3 Ų | 68.3 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -59.7 | -21.3 | -176.8 | -70.3 | -167.7 | -179.4 | -165 | 0 | 113.8 | D54 F55 L335 | K52-D54 VanDerWaalsContact C-N 3.33Å; K52-F55 HydrophobicContact CB-CD2 4.45Å; K52-F55 HydrophobicContact CB-CE2 4.37Å; K52-F55 HydrophobicContact CG-CE2 4.2Å; K52-F55 WeakPolarHBondContact O-CD2 3.46Å; K52-L335 HydrophobicContact CB-CD1 4.4Å; K52-L335 HydrophobicContact CD-CB 4.39Å; K52-L335 PolarHBondContact NZ-O 2.89Å |
| 53 | S | 65.5 | Low | 77.6 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -68.4 | -26.5 | 174.1 | 49.5 | 0 | 0 | 0 | 0 | 114.2 | N51 F55 | N51-S53 PolarHBondContact ND2-OG 2.79Å; N51-S53 PolarHBondContact O-N 2.93Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-F55 PolarHBondContact O-N 3.48Å |
| 54 | D | 63.9 | Low | 77.6 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -89.2 | -3.6 | -164.7 | -55.8 | -13.2 | 0 | 0 | 0 | 112.3 | N51 K52 T56 | N51-D54 PolarHBondContact O-N 2.89Å; K52-D54 VanDerWaalsContact C-N 3.33Å; D54-T56 PolarHBondContact O-N 2.81Å |
| 55 | F | 72.6 | Confident | 77.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | trans | -78.4 | 10.4 | -174.6 | -66.4 | -62.8 | 0 | 0 | 0 | 114.5 | I45 Y47 A50 K52 S53 D57 L59 | I45-F55 HydrophobicContact CD1-CD1 4.46Å; I45-F55 HydrophobicContact CG2-CD1 3.51Å; I45-F55 HydrophobicContact CG2-CE1 3.28Å; Y47-F55 HydrophobicContact CD2-CE1 4Å; Y47-F55 AromaticContact CD2-CZ 3.72Å; Y47-F55 HydrophobicContact CD2-CZ 3.72Å; Y47-F55 HydrophobicContact CE2-CZ 4.12Å; Y47-F55 HydrophobicContact CG-CZ 4.45Å; A50-F55 HydrophobicContact CB-CD1 4.48Å; A50-F55 HydrophobicContact CB-CE1 3.64Å; A50-F55 HydrophobicContact CB-CE2 4.44Å; A50-F55 HydrophobicContact CB-CZ 3.6Å; K52-F55 HydrophobicContact CB-CD2 4.45Å; K52-F55 HydrophobicContact CB-CE2 4.37Å; K52-F55 HydrophobicContact CG-CE2 4.2Å; K52-F55 WeakPolarHBondContact O-CD2 3.46Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-F55 PolarHBondContact O-N 3.48Å; F55-D57 PolarHBondContact O-N 3.4Å; F55-L59 HydrophobicContact CB-CB 4.25Å; F55-L59 HydrophobicContact CB-CD2 4.12Å; F55-L59 WeakPolarHBondContact O-CB 3.46Å | ||
| 56 | T | 66.1 | Low | 78.3 | Confident | 98 Ų | 98 | 62 Ų | 62 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -35 | -163.4 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | D54 | D54-T56 PolarHBondContact O-N 2.81Š|
| 57 | D | 68.9 | Low | 78.6 | Confident | 141 Ų | 141 | 58.2 Ų | 58.2 | 75% | 0.754 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -23.7 | -165.6 | -66.7 | 7.4 | 0 | 0 | 0 | 114.1 | F55 | F55-D57 PolarHBondContact O-N 3.4Š|
| 58 | G | 82.2 | Confident | 79.2 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -16.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q60 D61 A62 | G58-Q60 PolarHBondContact O-N 2.83Å; G58-D61 PolarHBondContact O-N 3.29Å; G58-A62 PolarHBondContact O-N 3.08Å |
| 59 | L | 86.5 | Confident | 79.9 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | -174.6 | 176.5 | 62.4 | 0 | 0 | 0 | 112.3 | Y36 L40 F55 D61 A62 Q63 L335 | Y36-L59 HydrophobicContact CE2-CD1 4.43Å; Y36-L59 VanDerWaalsContact OH-CD1 3.31Å; Y36-L59 WeakPolarHBondContact OH-CD1 3.44Å; L40-L59 HydrophobicContact CD2-CD1 3.83Å; F55-L59 HydrophobicContact CB-CB 4.25Å; F55-L59 HydrophobicContact CB-CD2 4.12Å; F55-L59 WeakPolarHBondContact O-CB 3.46Å; L59-D61 VanDerWaalsContact C-N 3.32Å; L59-D61 PolarHBondContact O-N 3.5Å; L59-A62 PolarHBondContact O-N 2.75Å; L59-Q63 HydrophobicContact CD1-CG 4.17Å; L59-Q63 HydrophobicContact CG-CG 4.48Å; L59-Q63 WeakPolarHBondContact O-CB 3.44Å; L59-Q63 VanDerWaalsContact O-CG 3.25Å; L59-Q63 WeakPolarHBondContact O-CG 3.21Å; L59-Q63 PolarHBondContact O-N 3.11Å; L59-L335 HydrophobicContact CD2-CD2 3.91Å |
| 60 | Q | 85.3 | Confident | 80.6 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | -178 | -62.7 | -172.9 | 14.5 | 0 | 0 | 111.5 | G58 Q63 K64 | G58-Q60 PolarHBondContact O-N 2.83Å; Q60-Q63 PolarHBondContact O-N 3.19Å; Q60-K64 VanDerWaalsContact O-CG 3.31Å; Q60-K64 WeakPolarHBondContact O-CG 3.4Å; Q60-K64 PolarHBondContact O-N 3.43Å |
| 61 | D | 88.1 | Confident | 81.7 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74 | -37.3 | -179.3 | -71.3 | -15.9 | 0 | 0 | 0 | 111.8 | G58 L59 Q63 K64 K65 | G58-D61 PolarHBondContact O-N 3.29Å; L59-D61 VanDerWaalsContact C-N 3.32Å; L59-D61 PolarHBondContact O-N 3.5Å; D61-Q63 VanDerWaalsContact C-N 3.3Å; D61-Q63 PolarHBondContact O-N 3.49Å; D61-K64 PolarHBondContact O-N 3.48Å; D61-K64 IonicContact OD1-NZ 3.36Å; D61-K64 PolarHBondContact OD1-NZ 3.23Å; D61-K65 WeakPolarHBondContact O-CB 3.49Å; D61-K65 PolarHBondContact O-N 2.8Å |
| 62 | A | 90 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C39 L40 Q43 G58 L59 K65 A66 | C39-A62 HydrophobicContact CB-CB 4.27Å; C39-A62 WeakPolarHBondContact CB-O 3.16Å; C39-A62 WeakPolarHBondContact O-CB 2.97Å; L40-A62 HydrophobicContact CD2-CB 3.69Å; L40-A62 HydrophobicContact CG-CB 4.2Å; Q43-A62 HydrophobicContact CG-CB 3.95Å; G58-A62 PolarHBondContact O-N 3.08Å; L59-A62 PolarHBondContact O-N 2.75Å; A62-K65 PolarHBondContact O-N 3.45Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 3.28Å |
| 63 | Q | 89 | Confident | 83.8 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 178.5 | -76.2 | -175.6 | -31.5 | 0 | 0 | 112.8 | Y36 L59 Q60 D61 K65 A66 A67 L327 S331 Y489 | Y36-Q63 HydrophobicContact CE2-CG 3.95Å; L59-Q63 HydrophobicContact CD1-CG 4.17Å; L59-Q63 HydrophobicContact CG-CG 4.48Å; L59-Q63 WeakPolarHBondContact O-CB 3.44Å; L59-Q63 VanDerWaalsContact O-CG 3.25Å; L59-Q63 WeakPolarHBondContact O-CG 3.21Å; L59-Q63 PolarHBondContact O-N 3.11Å; Q60-Q63 PolarHBondContact O-N 3.19Å; D61-Q63 VanDerWaalsContact C-N 3.3Å; D61-Q63 PolarHBondContact O-N 3.49Å; Q63-K65 VanDerWaalsContact C-N 3.3Å; Q63-K65 PolarHBondContact O-N 3.15Å; Q63-A66 PolarHBondContact O-N 3.09Å; Q63-A67 VanDerWaalsContact O-CB 3.29Å; Q63-A67 WeakPolarHBondContact O-CB 3.48Å; Q63-A67 PolarHBondContact O-N 3.4Å; Q63-L327 PolarHBondContact NE2-O 2.85Å; Q63-S331 VanDerWaalsContact NE2-CA 3.3Å; Q63-S331 VanDerWaalsContact NE2-CB 3.27Å; Q63-Y489 HydrophobicContact CB-CE1 4.48Å |
| 64 | K | 88 | Confident | 84.9 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 174.1 | -73.3 | 172.4 | -170.6 | 161.5 | 0 | 111.2 | Q60 D61 A67 S68 A490 V493 | Q60-K64 VanDerWaalsContact O-CG 3.31Å; Q60-K64 WeakPolarHBondContact O-CG 3.4Å; Q60-K64 PolarHBondContact O-N 3.43Å; D61-K64 PolarHBondContact O-N 3.48Å; D61-K64 IonicContact OD1-NZ 3.36Å; D61-K64 PolarHBondContact OD1-NZ 3.23Å; K64-A67 PolarHBondContact O-N 3.38Å; K64-S68 PolarHBondContact O-N 3.36Å; K64-A490 HydrophobicContact CG-CB 4.43Å; K64-V493 HydrophobicContact CD-CG1 4.26Å; K64-V493 HydrophobicContact CG-CG1 3.77Å |
| 65 | K | 91 | Very high | 86.2 | Confident | 68 Ų | 68 | 36.2 Ų | 36.2 | 30% | 0.296 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.9 | -44 | 177.9 | -168.9 | -179.3 | -177.9 | -176.2 | 0 | 112.1 | D42 D61 A62 Q63 A67 S68 I69 | D42-K65 IonicContact OD2-NZ 2.64Å; D42-K65 PolarHBondContact OD2-NZ 2.77Å; D61-K65 WeakPolarHBondContact O-CB 3.49Å; D61-K65 PolarHBondContact O-N 2.8Å; A62-K65 PolarHBondContact O-N 3.45Å; Q63-K65 VanDerWaalsContact C-N 3.3Å; Q63-K65 PolarHBondContact O-N 3.15Å; K65-A67 VanDerWaalsContact C-N 3.34Å; K65-A67 PolarHBondContact O-N 3.2Å; K65-S68 PolarHBondContact O-N 3.17Å; K65-S68 PolarHBondContact O-OG 2.92Å; K65-I69 HydrophobicContact CG-CD1 4.31Å; K65-I69 WeakPolarHBondContact O-CG1 3.42Å; K65-I69 PolarHBondContact O-N 2.79Å; K65-I69 VanDerWaalsContact O-N 3.08Å |
| 66 | A | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I35 C39 A62 Q63 S68 I69 Q70 L327 | I35-A66 HydrophobicContact CG2-CB 3.92Å; C39-A66 HydrophobicContact CB-CB 4.33Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 3.28Å; Q63-A66 PolarHBondContact O-N 3.09Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 3.02Å; A66-I69 PolarHBondContact O-N 3.23Å; A66-Q70 WeakPolarHBondContact O-CB 3.08Å; A66-Q70 PolarHBondContact O-N 3.15Å; A66-L327 HydrophobicContact CB-CD2 4.1Å |
| 67 | A | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q63 K64 K65 Q70 S71 L327 P486 Y489 A490 | Q63-A67 VanDerWaalsContact O-CB 3.29Å; Q63-A67 WeakPolarHBondContact O-CB 3.48Å; Q63-A67 PolarHBondContact O-N 3.4Å; K64-A67 PolarHBondContact O-N 3.38Å; K65-A67 VanDerWaalsContact C-N 3.34Å; K65-A67 PolarHBondContact O-N 3.2Å; A67-Q70 PolarHBondContact O-N 3.25Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 3.04Å; A67-L327 HydrophobicContact CB-CD1 3.97Å; A67-P486 HydrophobicContact CB-CB 4.16Å; A67-P486 WeakPolarHBondContact O-CB 3.45Å; A67-Y489 HydrophobicContact CB-CD1 4.39Å; A67-A490 HydrophobicContact CB-CB 4.17Å |
| 68 | S | 89.7 | Confident | 89 | Confident | 49 Ų | 49 | 27.9 Ų | 27.9 | 34% | 0.343 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -70.3 | -44.1 | 177.9 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | K64 K65 A66 Q70 S71 V72 | K64-S68 PolarHBondContact O-N 3.36Å; K65-S68 PolarHBondContact O-N 3.17Å; K65-S68 PolarHBondContact O-OG 2.92Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 3.02Å; S68-Q70 VanDerWaalsContact C-N 3.27Å; S68-Q70 PolarHBondContact O-N 3.45Å; S68-S71 PolarHBondContact O-N 2.92Å; S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 3.23Å; S68-V72 VanDerWaalsContact O-N 3.09Å |
| 69 | I | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 173.6 | -66.3 | 170.6 | 0 | 0 | 0 | 109.7 | I35 K65 A66 S71 V72 K73 P125 W126 | I35-I69 HydrophobicContact CD1-CG2 4.06Å; I35-I69 HydrophobicContact CG1-CG2 4.25Å; I35-I69 HydrophobicContact CG2-CB 4.13Å; I35-I69 HydrophobicContact CG2-CD1 4.35Å; I35-I69 HydrophobicContact CG2-CG2 4.07Å; K65-I69 HydrophobicContact CG-CD1 4.31Å; K65-I69 WeakPolarHBondContact O-CG1 3.42Å; K65-I69 PolarHBondContact O-N 2.79Å; K65-I69 VanDerWaalsContact O-N 3.08Å; A66-I69 PolarHBondContact O-N 3.23Å; I69-S71 PolarHBondContact O-N 3.29Å; I69-V72 PolarHBondContact O-N 3.12Å; I69-K73 VanDerWaalsContact O-CB 3.25Å; I69-K73 WeakPolarHBondContact O-CB 3.41Å; I69-K73 PolarHBondContact O-N 2.88Å; I69-P125 HydrophobicContact CD1-CB 4.2Å; I69-P125 HydrophobicContact CD1-CG 3.97Å; I69-W126 HydrophobicContact CD1-CD2 4.49Å; I69-W126 HydrophobicContact CD1-CZ2 4.29Å; I69-W126 HydrophobicContact CG1-CD2 4.08Å; I69-W126 HydrophobicContact CG1-CE3 4.28Å; I69-W126 HydrophobicContact CG1-CH2 3.83Å; I69-W126 HydrophobicContact CG1-CZ2 3.59Å; I69-W126 HydrophobicContact CG1-CZ3 4.17Å |
| 70 | Q | 88.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 178.8 | -164.7 | 66.9 | 12.5 | 0 | 0 | 112.3 | D32 I35 A66 A67 S68 V72 K73 N74 Q323 | D32-Q70 PolarHBondContact OD1-NE2 3.22Å; D32-Q70 PolarHBondContact OD1-OE1 3.08Å; I35-Q70 VanDerWaalsContact CD1-OE1 3.26Å; A66-Q70 WeakPolarHBondContact O-CB 3.08Å; A66-Q70 PolarHBondContact O-N 3.15Å; A67-Q70 PolarHBondContact O-N 3.25Å; S68-Q70 VanDerWaalsContact C-N 3.27Å; S68-Q70 PolarHBondContact O-N 3.45Å; Q70-V72 VanDerWaalsContact C-N 3.34Å; Q70-V72 PolarHBondContact O-N 3.37Å; Q70-K73 VanDerWaalsContact NE2-CE 3.31Å; Q70-K73 WeakPolarHBondContact O-CB 3.34Å; Q70-K73 PolarHBondContact O-N 3.12Å; Q70-N74 WeakPolarHBondContact O-CB 3.42Å; Q70-N74 PolarHBondContact O-N 3.28Å; Q70-N74 PolarHBondContact O-ND2 2.97Å; Q70-Q323 HydrophobicContact CG-CG 4.06Å; Q70-Q323 VanDerWaalsContact NE2-CD 3.33Å |
| 71 | S | 88.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 178.5 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | A67 S68 I69 N74 L75 V483 | A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 3.04Å; S68-S71 PolarHBondContact O-N 2.92Å; I69-S71 PolarHBondContact O-N 3.29Å; S71-N74 PolarHBondContact O-N 3.24Å; S71-L75 WeakPolarHBondContact O-CB 3.49Å; S71-L75 PolarHBondContact O-N 3.27Å; S71-V483 PolarHBondContact OG-O 3.43Å |
| 72 | V | 91.9 | Very high | 89.6 | Confident | 53 Ų | 53 | 23.5 Ų | 23.5 | 32% | 0.321 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | S68 I69 Q70 N74 L75 L76 W126 I129 | S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 3.23Å; S68-V72 VanDerWaalsContact O-N 3.09Å; I69-V72 PolarHBondContact O-N 3.12Å; Q70-V72 VanDerWaalsContact C-N 3.34Å; Q70-V72 PolarHBondContact O-N 3.37Å; V72-N74 VanDerWaalsContact C-N 3.34Å; V72-N74 PolarHBondContact O-N 3.39Å; V72-L75 PolarHBondContact O-N 3.36Å; V72-L76 HydrophobicContact CG1-CD1 3.99Å; V72-L76 WeakPolarHBondContact O-CG 3.45Å; V72-L76 PolarHBondContact O-N 3.19Å; V72-L76 VanDerWaalsContact O-N 3.14Å; V72-W126 HydrophobicContact CB-CZ3 4.34Å; V72-W126 HydrophobicContact CG1-CZ3 4.37Å; V72-W126 HydrophobicContact CG2-CZ3 4.38Å; V72-I129 HydrophobicContact CG1-CD1 3.76Å |
| 73 | K | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.8 | -50.1 | 176.2 | -175.2 | -178.4 | 91.8 | -170.5 | 0 | 111.3 | S31 D32 I35 I69 Q70 L76 G77 L128 E132 | S31-K73 PolarHBondContact OG-NZ 2.97Å; D32-K73 IonicContact OD1-NZ 2.69Å; D32-K73 PolarHBondContact OD1-NZ 3.13Å; I35-K73 HydrophobicContact CD1-CD 4.07Å; I69-K73 VanDerWaalsContact O-CB 3.25Å; I69-K73 WeakPolarHBondContact O-CB 3.41Å; I69-K73 PolarHBondContact O-N 2.88Å; Q70-K73 VanDerWaalsContact NE2-CE 3.31Å; Q70-K73 WeakPolarHBondContact O-CB 3.34Å; Q70-K73 PolarHBondContact O-N 3.12Å; K73-L76 PolarHBondContact O-N 3.33Å; K73-G77 PolarHBondContact O-N 3.44Å; K73-L128 HydrophobicContact CD-CB 4.32Å; K73-E132 HydrophobicContact CD-CG 3.84Å; K73-E132 HydrophobicContact CG-CB 4.01Å; K73-E132 HydrophobicContact CG-CG 3.45Å; K73-E132 VanDerWaalsContact CG-CG 3.45Å |
| 74 | N | 88.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | -179.9 | -64.3 | -32.9 | 0 | 0 | 0 | 113.6 | Q70 S71 V72 L76 G77 I78 Q323 L482 | Q70-N74 WeakPolarHBondContact O-CB 3.42Å; Q70-N74 PolarHBondContact O-N 3.28Å; Q70-N74 PolarHBondContact O-ND2 2.97Å; S71-N74 PolarHBondContact O-N 3.24Å; V72-N74 VanDerWaalsContact C-N 3.34Å; V72-N74 PolarHBondContact O-N 3.39Å; N74-L76 PolarHBondContact O-N 3.17Å; N74-G77 PolarHBondContact O-N 3.03Å; N74-I78 HydrophobicContact CB-CD1 3.94Å; N74-I78 VanDerWaalsContact O-CB 3.27Å; N74-I78 WeakPolarHBondContact O-CB 3.46Å; N74-I78 VanDerWaalsContact O-CG1 3.31Å; N74-I78 WeakPolarHBondContact O-CG1 3.48Å; N74-I78 PolarHBondContact O-N 3.07Å; N74-Q323 VanDerWaalsContact CG-NE2 3.33Å; N74-Q323 PolarHBondContact ND2-NE2 3.22Å; N74-Q323 PolarHBondContact ND2-OE1 3.03Å; N74-Q323 PolarHBondContact OD1-NE2 3.04Å; N74-Q323 PolarHBondContact OD1-OE1 3.12Å; N74-L482 HydrophobicContact CB-CB 3.93Å; N74-L482 PolarHBondContact ND2-O 3.39Å |
| 75 | L | 91.1 | Very high | 89.2 | Confident | 84 Ų | 84 | 28.1 Ų | 28.1 | 44% | 0.44 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -55.2 | -47.1 | 178.2 | 175.4 | 59.3 | 0 | 0 | 0 | 110 | S71 V72 G79 L479 V483 | S71-L75 WeakPolarHBondContact O-CB 3.49Å; S71-L75 PolarHBondContact O-N 3.27Å; V72-L75 PolarHBondContact O-N 3.36Å; L75-G79 VanDerWaalsContact O-CA 3.29Å; L75-G79 WeakPolarHBondContact O-CA 3.25Å; L75-G79 PolarHBondContact O-N 3.27Å; L75-L479 HydrophobicContact CD1-CD1 4.15Å; L75-V483 HydrophobicContact CB-CG2 3.67Å; L75-V483 HydrophobicContact CD1-CG2 4.06Å; L75-V483 HydrophobicContact CG-CG2 4.42Å |
| 76 | L | 90.8 | Very high | 88.7 | Confident | 61 Ų | 61 | 28.1 Ų | 28.1 | 32% | 0.319 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -71.7 | -46.7 | -178.2 | -67.4 | 175.2 | 0 | 0 | 0 | 111.9 | V72 K73 N74 T80 I129 L133 | V72-L76 HydrophobicContact CG1-CD1 3.99Å; V72-L76 WeakPolarHBondContact O-CG 3.45Å; V72-L76 PolarHBondContact O-N 3.19Å; V72-L76 VanDerWaalsContact O-N 3.14Å; K73-L76 PolarHBondContact O-N 3.33Å; N74-L76 PolarHBondContact O-N 3.17Å; L76-T80 WeakPolarHBondContact O-CB 3.5Å; L76-T80 VanDerWaalsContact O-CG2 3.3Å; L76-T80 WeakPolarHBondContact O-CG2 3.48Å; L76-T80 PolarHBondContact O-N 3.3Å; L76-T80 VanDerWaalsContact O-N 3.1Å; L76-T80 PolarHBondContact O-OG1 3.08Å; L76-I129 HydrophobicContact CD1-CD1 4.35Å; L76-I129 HydrophobicContact CD1-CG1 4.47Å; L76-I129 HydrophobicContact CD1-CG2 3.33Å; L76-L133 HydrophobicContact CB-CD2 3.87Å; L76-L133 HydrophobicContact CB-CG 4.29Å |
| 77 | G | 88.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.9 | -51.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K73 N74 T80 G81 E132 G136 | K73-G77 PolarHBondContact O-N 3.44Å; N74-G77 PolarHBondContact O-N 3.03Å; G77-T80 PolarHBondContact O-OG1 3.4Å; G77-T80 VanDerWaalsContact O-OG1 3.09Å; G77-G81 PolarHBondContact O-N 2.91Å; G77-E132 VanDerWaalsContact CA-O 3.26Å; G77-E132 WeakPolarHBondContact CA-O 3.39Å; G77-G136 VanDerWaalsContact O-CA 3.28Å; G77-G136 WeakPolarHBondContact O-CA 3.21Å |
| 78 | I | 87.2 | Confident | 88.3 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 9% | 0.087 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.9 | -39.8 | -178.4 | -56.2 | 161.6 | 0 | 0 | 0 | 110.4 | N74 G81 I82 R475 I478 L479 L482 | N74-I78 HydrophobicContact CB-CD1 3.94Å; N74-I78 VanDerWaalsContact O-CB 3.27Å; N74-I78 WeakPolarHBondContact O-CB 3.46Å; N74-I78 VanDerWaalsContact O-CG1 3.31Å; N74-I78 WeakPolarHBondContact O-CG1 3.48Å; N74-I78 PolarHBondContact O-N 3.07Å; I78-G81 CarbonylContact O-C 3.58Å; I78-G81 WeakPolarHBondContact O-CA 3.37Å; I78-G81 PolarHBondContact O-N 2.93Å; I78-G81 VanDerWaalsContact O-N 3.15Å; I78-I82 PolarHBondContact O-N 2.99Å; I78-I82 VanDerWaalsContact O-N 3.1Å; I78-R475 HydrophobicContact CG2-CG 3.75Å; I78-I478 HydrophobicContact CD1-CG2 4.21Å; I78-L479 HydrophobicContact CB-CD1 3.78Å; I78-L479 HydrophobicContact CG2-CB 3.77Å; I78-L479 HydrophobicContact CG2-CD1 3.94Å; I78-L479 HydrophobicContact CG2-CG 4.42Å; I78-L482 HydrophobicContact CD1-CB 3.77Å; I78-L482 HydrophobicContact CD1-CD1 3.51Å; I78-L482 HydrophobicContact CD1-CG 4.06Å |
| 79 | G | 89.2 | Confident | 87.8 | Confident | 18 Ų | 18 | 31.3 Ų | 31.3 | 19% | 0.186 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L75 G81 I82 | L75-G79 VanDerWaalsContact O-CA 3.29Å; L75-G79 WeakPolarHBondContact O-CA 3.25Å; L75-G79 PolarHBondContact O-N 3.27Å; G79-G81 VanDerWaalsContact C-N 3.3Å; G79-G81 PolarHBondContact O-N 2.71Å; G79-I82 PolarHBondContact O-N 2.88Å |
| 80 | T | 90.5 | Very high | 87.3 | Confident | 40 Ų | 40 | 36.8 Ų | 36.8 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | 172.9 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | L76 G77 I82 F83 S84 L133 G136 | L76-T80 WeakPolarHBondContact O-CB 3.5Å; L76-T80 VanDerWaalsContact O-CG2 3.3Å; L76-T80 WeakPolarHBondContact O-CG2 3.48Å; L76-T80 PolarHBondContact O-N 3.3Å; L76-T80 VanDerWaalsContact O-N 3.1Å; L76-T80 PolarHBondContact O-OG1 3.08Å; G77-T80 PolarHBondContact O-OG1 3.4Å; G77-T80 VanDerWaalsContact O-OG1 3.09Å; T80-I82 VanDerWaalsContact C-N 3.26Å; T80-I82 PolarHBondContact O-N 3.25Å; T80-F83 PolarHBondContact O-N 3.4Å; T80-S84 PolarHBondContact O-N 3.43Å; T80-L133 HydrophobicContact CG2-CD2 3.77Å; T80-G136 CarbonylContact C-O 3.58Å; T80-G136 WeakPolarHBondContact OG1-CA 3.02Å |
| 81 | G | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.4 | -30.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G77 I78 G79 F83 S84 T85 G136 R475 | G77-G81 PolarHBondContact O-N 2.91Å; I78-G81 CarbonylContact O-C 3.58Å; I78-G81 WeakPolarHBondContact O-CA 3.37Å; I78-G81 PolarHBondContact O-N 2.93Å; I78-G81 VanDerWaalsContact O-N 3.15Å; G79-G81 VanDerWaalsContact C-N 3.3Å; G79-G81 PolarHBondContact O-N 2.71Å; G81-F83 PolarHBondContact O-N 3.14Å; G81-S84 WeakPolarHBondContact CA-OG 3.41Å; G81-S84 PolarHBondContact O-OG 3.39Å; G81-T85 WeakPolarHBondContact O-CB 3.47Å; G81-T85 PolarHBondContact O-N 3.19Å; G81-T85 PolarHBondContact O-OG1 2.98Å; G81-G136 WeakPolarHBondContact CA-O 2.99Å; G81-G136 PolarHBondContact N-O 3.13Å; G81-R475 VanDerWaalsContact C-NE 3.3Å; G81-R475 PolarHBondContact O-NE 3.42Å |
| 82 | I | 86.5 | Confident | 87 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 179.9 | -69 | 162.3 | 0 | 0 | 0 | 111 | I78 G79 T80 L86 V472 R475 L476 L479 | I78-I82 PolarHBondContact O-N 2.99Å; I78-I82 VanDerWaalsContact O-N 3.1Å; G79-I82 PolarHBondContact O-N 2.88Å; T80-I82 VanDerWaalsContact C-N 3.26Å; T80-I82 PolarHBondContact O-N 3.25Å; I82-L86 PolarHBondContact O-N 3.27Å; I82-V472 HydrophobicContact CG2-CG1 4.48Å; I82-R475 HydrophobicContact CG1-CB 4.45Å; I82-R475 HydrophobicContact CG1-CG 3.86Å; I82-L476 HydrophobicContact CD1-CD2 3.67Å; I82-L476 HydrophobicContact CD1-CG 4.34Å; I82-L479 HydrophobicContact CD1-CD2 3.88Å |
| 83 | F | 85.9 | Confident | 86.3 | Confident | 144 Ų | 144 | 37.8 Ų | 37.8 | 63% | 0.632 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -69.6 | -45.2 | -178.9 | -63.3 | -77.8 | 0 | 0 | 0 | 111.5 | T80 G81 T85 L86 I87 | T80-F83 PolarHBondContact O-N 3.4Å; G81-F83 PolarHBondContact O-N 3.14Å; F83-T85 VanDerWaalsContact C-N 3.33Å; F83-T85 PolarHBondContact O-N 2.85Å; F83-L86 PolarHBondContact O-N 2.84Å; F83-I87 WeakPolarHBondContact O-CG1 3.39Å; F83-I87 PolarHBondContact O-N 3Å |
| 84 | S | 87.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.1 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | T80 G81 L86 I87 I88 G136 G140 | T80-S84 PolarHBondContact O-N 3.43Å; G81-S84 WeakPolarHBondContact CA-OG 3.41Å; G81-S84 PolarHBondContact O-OG 3.39Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 3.19Å; S84-I87 PolarHBondContact O-N 3.34Å; S84-I88 VanDerWaalsContact O-CB 3.29Å; S84-I88 WeakPolarHBondContact O-CB 3.24Å; S84-I88 WeakPolarHBondContact O-CG1 3.43Å; S84-I88 PolarHBondContact O-N 3.09Å; S84-G136 WeakPolarHBondContact CB-O 3.4Å; S84-G136 PolarHBondContact OG-O 3.5Å; S84-G140 WeakPolarHBondContact OG-CA 3.5Å; S84-G140 PolarHBondContact OG-N 3.49Å |
| 85 | T | 84.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 175.9 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | G81 F83 I88 G89 R475 | G81-T85 WeakPolarHBondContact O-CB 3.47Å; G81-T85 PolarHBondContact O-N 3.19Å; G81-T85 PolarHBondContact O-OG1 2.98Å; F83-T85 VanDerWaalsContact C-N 3.33Å; F83-T85 PolarHBondContact O-N 2.85Å; T85-I88 PolarHBondContact O-N 3.43Å; T85-G89 PolarHBondContact O-N 3.46Å; T85-R475 PolarHBondContact OG1-NH1 2.91Å |
| 86 | L | 81.1 | Confident | 85.1 | Confident | 69 Ų | 69 | 44 Ų | 44 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.9 | -74.5 | 171 | 0 | 0 | 0 | 111.4 | I82 F83 S84 I88 G89 Y90 V472 | I82-L86 PolarHBondContact O-N 3.27Å; F83-L86 PolarHBondContact O-N 2.84Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 3.19Å; L86-I88 VanDerWaalsContact C-N 3.33Å; L86-I88 PolarHBondContact O-N 2.98Å; L86-G89 PolarHBondContact O-N 3.34Å; L86-Y90 PolarHBondContact O-N 3.01Å; L86-Y90 VanDerWaalsContact O-N 3.09Å; L86-V472 HydrophobicContact CD2-CG2 3.57Å; L86-V472 HydrophobicContact CG-CG2 3.99Å |
| 87 | I | 86.6 | Confident | 85 | Confident | 102 Ų | 102 | 42.1 Ų | 42.1 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.3 | -64.7 | 167.3 | 0 | 0 | 0 | 110.2 | F83 S84 G89 Y90 L91 | F83-I87 WeakPolarHBondContact O-CG1 3.39Å; F83-I87 PolarHBondContact O-N 3Å; S84-I87 PolarHBondContact O-N 3.34Å; I87-G89 VanDerWaalsContact C-N 3.34Å; I87-G89 PolarHBondContact O-N 3.3Å; I87-Y90 WeakPolarHBondContact O-CB 3.39Å; I87-Y90 PolarHBondContact O-N 3.02Å; I87-Y90 VanDerWaalsContact O-N 3.15Å; I87-L91 HydrophobicContact CG2-CD1 3.86Å; I87-L91 HydrophobicContact CG2-CG 4.16Å; I87-L91 WeakPolarHBondContact O-CG 3.33Å; I87-L91 PolarHBondContact O-N 2.92Å |
| 88 | I | 86.1 | Confident | 85 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.2 | -76.2 | -66 | 0 | 0 | 0 | 111.6 | S84 T85 L86 Y90 L91 S92 T100 I103 I104 Q148 | S84-I88 VanDerWaalsContact O-CB 3.29Å; S84-I88 WeakPolarHBondContact O-CB 3.24Å; S84-I88 WeakPolarHBondContact O-CG1 3.43Å; S84-I88 PolarHBondContact O-N 3.09Å; T85-I88 PolarHBondContact O-N 3.43Å; L86-I88 VanDerWaalsContact C-N 3.33Å; L86-I88 PolarHBondContact O-N 2.98Å; I88-Y90 PolarHBondContact O-N 3.46Å; I88-L91 HydrophobicContact CD1-CD1 4.47Å; I88-L91 PolarHBondContact O-N 3.42Å; I88-S92 WeakPolarHBondContact O-CB 3.31Å; I88-S92 PolarHBondContact O-N 3.08Å; I88-T100 HydrophobicContact CB-CG2 4.39Å; I88-T100 HydrophobicContact CD1-CG2 4.01Å; I88-T100 HydrophobicContact CG2-CG2 3.57Å; I88-I103 HydrophobicContact CD1-CB 4.3Å; I88-I103 HydrophobicContact CD1-CG2 3.91Å; I88-I104 HydrophobicContact CD1-CG1 3.9Å; I88-I104 HydrophobicContact CG1-CG1 4.37Å; I88-I104 HydrophobicContact CG2-CD1 3.81Å; I88-I104 HydrophobicContact CG2-CG1 4.2Å; I88-Q148 HydrophobicContact CG2-CG 4.29Å |
| 89 | G | 78.3 | Confident | 85.1 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T85 L86 I87 S92 D93 | T85-G89 PolarHBondContact O-N 3.46Å; L86-G89 PolarHBondContact O-N 3.34Å; I87-G89 VanDerWaalsContact C-N 3.34Å; I87-G89 PolarHBondContact O-N 3.3Å; G89-S92 WeakPolarHBondContact O-CB 3.31Å; G89-S92 PolarHBondContact O-N 3.24Å; G89-D93 PolarHBondContact O-N 3.31Å |
| 90 | Y | 82.3 | Confident | 85.2 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 175.6 | 173.1 | -91.4 | 0 | 0 | 0 | 112.7 | L86 I87 I88 S92 D93 N94 | L86-Y90 PolarHBondContact O-N 3.01Å; L86-Y90 VanDerWaalsContact O-N 3.09Å; I87-Y90 WeakPolarHBondContact O-CB 3.39Å; I87-Y90 PolarHBondContact O-N 3.02Å; I87-Y90 VanDerWaalsContact O-N 3.15Å; I88-Y90 PolarHBondContact O-N 3.46Å; Y90-S92 VanDerWaalsContact C-N 3.28Å; Y90-S92 PolarHBondContact O-N 2.96Å; Y90-D93 PolarHBondContact O-N 3.34Å; Y90-N94 VanDerWaalsContact CD2-ND2 3.31Å; Y90-N94 WeakPolarHBondContact CD2-ND2 3.37Å; Y90-N94 WeakPolarHBondContact CE1-ND2 3.36Å; Y90-N94 WeakPolarHBondContact CE2-ND2 3.45Å; Y90-N94 PolarHBondContact O-N 2.54Å; Y90-N94 PolarHBondContact O-ND2 3.43Å |
| 91 | L | 85.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 178.2 | -72.7 | 174.4 | 0 | 0 | 0 | 111 | I87 I88 D93 N94 Y95 I103 | I87-L91 HydrophobicContact CG2-CD1 3.86Å; I87-L91 HydrophobicContact CG2-CG 4.16Å; I87-L91 WeakPolarHBondContact O-CG 3.33Å; I87-L91 PolarHBondContact O-N 2.92Å; I88-L91 HydrophobicContact CD1-CD1 4.47Å; I88-L91 PolarHBondContact O-N 3.42Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 3.29Å; L91-N94 PolarHBondContact O-N 3.06Å; L91-Y95 HydrophobicContact CD2-CD2 3.6Å; L91-Y95 HydrophobicContact CD2-CE2 3.77Å; L91-Y95 PolarHBondContact O-N 2.87Å; L91-I103 HydrophobicContact CD1-CD1 4.02Å |
| 92 | S | 86.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -41.9 | 178.5 | -165.7 | 0 | 0 | 0 | 0 | 113.2 | I88 G89 Y90 G96 R97 T100 Q148 | I88-S92 WeakPolarHBondContact O-CB 3.31Å; I88-S92 PolarHBondContact O-N 3.08Å; G89-S92 WeakPolarHBondContact O-CB 3.31Å; G89-S92 PolarHBondContact O-N 3.24Å; Y90-S92 VanDerWaalsContact C-N 3.28Å; Y90-S92 PolarHBondContact O-N 2.96Å; S92-G96 CarbonylContact O-C 3.56Å; S92-G96 WeakPolarHBondContact O-CA 3.19Å; S92-G96 PolarHBondContact O-N 3.33Å; S92-R97 PolarHBondContact O-NH1 3.18Å; S92-R97 VanDerWaalsContact O-NH1 3.11Å; S92-R97 WeakPolarHBondContact OG-CD 3.39Å; S92-R97 PolarHBondContact OG-NH1 2.98Å; S92-T100 WeakPolarHBondContact CA-OG1 3.23Å; S92-T100 PolarHBondContact N-OG1 3.49Å; S92-Q148 VanDerWaalsContact CB-OE1 3.29Å; S92-Q148 PolarHBondContact OG-OE1 3.07Å |
| 93 | D | 76.7 | Confident | 85.9 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.1 | -22.9 | -177.1 | -79 | -7.5 | 0 | 0 | 0 | 113.9 | G89 Y90 L91 R97 | G89-D93 PolarHBondContact O-N 3.31Å; Y90-D93 PolarHBondContact O-N 3.34Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 3.29Å; D93-R97 IonicContact OD1-CZ 3.56Å; D93-R97 IonicContact OD1-NH1 2.93Å; D93-R97 PolarHBondContact OD1-NH1 3.26Å; D93-R97 IonicContact OD1-NH2 3.31Å |
| 94 | N | 77.2 | Confident | 86.3 | Confident | 78 Ų | 78 | 41.8 Ų | 41.8 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -106.4 | -41.2 | -174.7 | -62.9 | -47.2 | 0 | 0 | 0 | 113.4 | Y90 L91 | Y90-N94 VanDerWaalsContact CD2-ND2 3.31Å; Y90-N94 WeakPolarHBondContact CD2-ND2 3.37Å; Y90-N94 WeakPolarHBondContact CE1-ND2 3.36Å; Y90-N94 WeakPolarHBondContact CE2-ND2 3.45Å; Y90-N94 PolarHBondContact O-N 2.54Å; Y90-N94 PolarHBondContact O-ND2 3.43Å; L91-N94 PolarHBondContact O-N 3.06Å |
| 95 | Y | 83.3 | Confident | 86.6 | Confident | 140 Ų | 140 | 41.8 Ų | 41.8 | 55% | 0.549 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -106.2 | -3.9 | -174.6 | -62.8 | -83.9 | 0 | 0 | 0 | 113.2 | L91 L99 | L91-Y95 HydrophobicContact CD2-CD2 3.6Å; L91-Y95 HydrophobicContact CD2-CE2 3.77Å; L91-Y95 PolarHBondContact O-N 2.87Å; Y95-L99 HydrophobicContact CG-CD2 4.37Å |
| 96 | G | 85.2 | Confident | 87 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 100.6 | 164.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S92 T100 E239 | S92-G96 CarbonylContact O-C 3.56Å; S92-G96 WeakPolarHBondContact O-CA 3.19Å; S92-G96 PolarHBondContact O-N 3.33Å; G96-T100 PolarHBondContact O-OG1 2.97Å; G96-E239 VanDerWaalsContact CA-OE1 3.29Å; G96-E239 WeakPolarHBondContact CA-OE1 3.15Å | ||
| 97 | R | 87.6 | Confident | 87.7 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.8 | -37.6 | -176.5 | -52.5 | -51.1 | -172.4 | -152.1 | -2.1 | 111.6 | S92 D93 T100 L101 D155 E239 T240 | S92-R97 PolarHBondContact O-NH1 3.18Å; S92-R97 VanDerWaalsContact O-NH1 3.11Å; S92-R97 WeakPolarHBondContact OG-CD 3.39Å; S92-R97 PolarHBondContact OG-NH1 2.98Å; D93-R97 IonicContact OD1-CZ 3.56Å; D93-R97 IonicContact OD1-NH1 2.93Å; D93-R97 PolarHBondContact OD1-NH1 3.26Å; D93-R97 IonicContact OD1-NH2 3.31Å; R97-T100 PolarHBondContact O-N 3.48Å; R97-L101 WeakPolarHBondContact O-CB 3.19Å; R97-L101 WeakPolarHBondContact O-CG 3.29Å; R97-L101 PolarHBondContact O-N 3.39Å; R97-D155 IonicContact CZ-OD2 3.3Å; R97-D155 IonicContact NE-OD2 3.06Å; R97-D155 PolarHBondContact NE-OD2 3.24Å; R97-D155 IonicContact NH2-OD1 3.77Å; R97-D155 IonicContact NH2-OD2 2.87Å; R97-D155 PolarHBondContact NH2-OD2 3.5Å; R97-E239 PolarHBondContact N-OE1 3.45Å; R97-E239 PolarHBondContact N-OE2 2.95Å; R97-T240 WeakPolarHBondContact CB-OG1 3.36Å; R97-T240 WeakPolarHBondContact CG-OG1 3.37Å |
| 98 | K | 89.3 | Confident | 88.1 | Confident | 74 Ų | 74 | 37.7 Ų | 37.7 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -49.1 | -175.8 | -176.3 | -180 | -176.2 | 158.4 | 0 | 111.7 | T100 L101 G102 L234 F235 I237 E239 | K98-T100 VanDerWaalsContact C-N 3.29Å; K98-T100 PolarHBondContact O-N 3.14Å; K98-L101 PolarHBondContact O-N 3.49Å; K98-G102 PolarHBondContact O-N 2.94Å; K98-L234 WeakPolarHBondContact CE-O 3.25Å; K98-F235 PolarHBondContact NZ-O 3.16Å; K98-I237 WeakPolarHBondContact CD-O 3.29Å; K98-I237 WeakPolarHBondContact CE-O 3.49Å; K98-I237 PolarHBondContact NZ-O 2.91Å; K98-I237 VanDerWaalsContact NZ-O 3.08Å; K98-E239 WeakPolarHBondContact CB-OE2 3.32Å; K98-E239 PolarHBondContact N-OE2 2.77Å |
| 99 | L | 89.7 | Confident | 88.5 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 48% | 0.482 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 176.8 | 178.2 | 66.2 | 0 | 0 | 0 | 110.7 | Y95 G102 I103 | Y95-L99 HydrophobicContact CG-CD2 4.37Å; L99-G102 WeakPolarHBondContact O-CA 3.26Å; L99-G102 PolarHBondContact O-N 2.94Å; L99-G102 VanDerWaalsContact O-N 3.09Å; L99-I103 HydrophobicContact CG-CD1 4.21Å; L99-I103 WeakPolarHBondContact O-CG1 3.41Å; L99-I103 PolarHBondContact O-N 3.01Å |
| 100 | T | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | -178.4 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | I88 S92 G96 R97 K98 G102 I103 I104 Q148 | I88-T100 HydrophobicContact CB-CG2 4.39Å; I88-T100 HydrophobicContact CD1-CG2 4.01Å; I88-T100 HydrophobicContact CG2-CG2 3.57Å; S92-T100 WeakPolarHBondContact CA-OG1 3.23Å; S92-T100 PolarHBondContact N-OG1 3.49Å; G96-T100 PolarHBondContact O-OG1 2.97Å; R97-T100 PolarHBondContact O-N 3.48Å; K98-T100 VanDerWaalsContact C-N 3.29Å; K98-T100 PolarHBondContact O-N 3.14Å; T100-G102 PolarHBondContact O-N 3.48Å; T100-I103 PolarHBondContact O-N 2.94Å; T100-I104 HydrophobicContact CG2-CD1 4.09Å; T100-I104 VanDerWaalsContact O-CG1 3.24Å; T100-I104 WeakPolarHBondContact O-CG1 3.49Å; T100-I104 PolarHBondContact O-N 3.27Å; T100-Q148 HydrophobicContact CG2-CG 4.01Å |
| 101 | L | 92.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -39 | 172.9 | -76.8 | 169 | 0 | 0 | 0 | 111.4 | L13 L16 R97 K98 I104 V105 Q148 L149 L234 | L13-L101 HydrophobicContact CD2-CD1 4.48Å; L16-L101 HydrophobicContact CD2-CD1 4.19Å; L16-L101 HydrophobicContact CD2-CD2 4.31Å; R97-L101 WeakPolarHBondContact O-CB 3.19Å; R97-L101 WeakPolarHBondContact O-CG 3.29Å; R97-L101 PolarHBondContact O-N 3.39Å; K98-L101 PolarHBondContact O-N 3.49Å; L101-I104 PolarHBondContact O-N 3.39Å; L101-V105 VanDerWaalsContact O-CG2 3.31Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.43Å; L101-Q148 HydrophobicContact CD2-CB 3.71Å; L101-Q148 HydrophobicContact CG-CB 4.23Å; L101-L149 HydrophobicContact CD2-CD2 4.43Å; L101-L234 HydrophobicContact CB-CD1 3.86Å |
| 102 | G | 92.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K98 L99 T100 I104 V105 L106 L234 | K98-G102 PolarHBondContact O-N 2.94Å; L99-G102 WeakPolarHBondContact O-CA 3.26Å; L99-G102 PolarHBondContact O-N 2.94Å; L99-G102 VanDerWaalsContact O-N 3.09Å; T100-G102 PolarHBondContact O-N 3.48Å; G102-I104 VanDerWaalsContact C-N 3.28Å; G102-I104 PolarHBondContact O-N 2.97Å; G102-V105 PolarHBondContact O-N 3.32Å; G102-L106 WeakPolarHBondContact O-CB 3.48Å; G102-L106 PolarHBondContact O-N 2.96Å; G102-L234 VanDerWaalsContact CA-CD2 3.46Å |
| 103 | I | 93.5 | Very high | 90.8 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 26% | 0.256 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 175.1 | -65.2 | 168.8 | 0 | 0 | 0 | 110.6 | I88 L91 L99 T100 L106 G107 | I88-I103 HydrophobicContact CD1-CB 4.3Å; I88-I103 HydrophobicContact CD1-CG2 3.91Å; L91-I103 HydrophobicContact CD1-CD1 4.02Å; L99-I103 HydrophobicContact CG-CD1 4.21Å; L99-I103 WeakPolarHBondContact O-CG1 3.41Å; L99-I103 PolarHBondContact O-N 3.01Å; T100-I103 PolarHBondContact O-N 2.94Å; I103-L106 PolarHBondContact O-N 3.04Å; I103-G107 PolarHBondContact O-N 3.36Å; I103-G107 VanDerWaalsContact O-N 3.08Å |
| 104 | I | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.8 | -47.6 | 179.7 | -56.6 | 161 | 0 | 0 | 0 | 111.3 | I88 T100 L101 G102 L106 G107 E108 V145 Q148 | I88-I104 HydrophobicContact CD1-CG1 3.9Å; I88-I104 HydrophobicContact CG1-CG1 4.37Å; I88-I104 HydrophobicContact CG2-CD1 3.81Å; I88-I104 HydrophobicContact CG2-CG1 4.2Å; T100-I104 HydrophobicContact CG2-CD1 4.09Å; T100-I104 VanDerWaalsContact O-CG1 3.24Å; T100-I104 WeakPolarHBondContact O-CG1 3.49Å; T100-I104 PolarHBondContact O-N 3.27Å; L101-I104 PolarHBondContact O-N 3.39Å; G102-I104 VanDerWaalsContact C-N 3.28Å; G102-I104 PolarHBondContact O-N 2.97Å; I104-L106 PolarHBondContact O-N 3.28Å; I104-G107 PolarHBondContact O-N 2.88Å; I104-G107 VanDerWaalsContact O-N 3.09Å; I104-E108 PolarHBondContact O-N 3.46Å; I104-E108 VanDerWaalsContact O-N 3.1Å; I104-V145 HydrophobicContact CB-CG2 4.38Å; I104-V145 HydrophobicContact CG2-CB 4.38Å; I104-V145 HydrophobicContact CG2-CG2 3.26Å; I104-Q148 HydrophobicContact CD1-CB 4.33Å; I104-Q148 HydrophobicContact CD1-CG 3.54Å |
| 105 | V | 94.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L16 V20 L101 G102 E108 A109 V231 | L16-V105 HydrophobicContact CD1-CG2 4.15Å; V20-V105 HydrophobicContact CG2-CG2 4Å; L101-V105 VanDerWaalsContact O-CG2 3.31Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.43Å; G102-V105 PolarHBondContact O-N 3.32Å; V105-E108 PolarHBondContact O-N 3.3Å; V105-A109 WeakPolarHBondContact O-CB 3.31Å; V105-A109 PolarHBondContact O-N 3.29Å; V105-V231 HydrophobicContact CG1-CG2 4.45Å |
| 106 | L | 94.5 | Very high | 93.3 | Very high | 98 Ų | 98 | 26.9 Ų | 26.9 | 51% | 0.513 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.8 | 178.3 | 62.7 | 0 | 0 | 0 | 112.1 | G102 I103 I104 E108 A109 L110 | G102-L106 WeakPolarHBondContact O-CB 3.48Å; G102-L106 PolarHBondContact O-N 2.96Å; I103-L106 PolarHBondContact O-N 3.04Å; I104-L106 PolarHBondContact O-N 3.28Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 2.88Å; L106-A109 PolarHBondContact O-N 2.85Å; L106-L110 HydrophobicContact CD1-CD1 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.35Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.26Å |
| 107 | G | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I103 I104 L110 R111 I138 | I103-G107 PolarHBondContact O-N 3.36Å; I103-G107 VanDerWaalsContact O-N 3.08Å; I104-G107 PolarHBondContact O-N 2.88Å; I104-G107 VanDerWaalsContact O-N 3.09Å; G107-L110 PolarHBondContact O-N 3.06Å; G107-R111 WeakPolarHBondContact O-CB 3.4Å; G107-R111 PolarHBondContact O-N 3.42Å; G107-I138 WeakPolarHBondContact CA-O 3.44Å |
| 108 | E | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 176.2 | -66.6 | -67.5 | -177.1 | 0 | 0 | 112.5 | V24 I104 V105 L106 R111 I112 G141 L142 | V24-E108 WeakPolarHBondContact CG1-OE2 3.48Å; V24-E108 HydrophobicContact CG2-CB 3.86Å; V24-E108 HydrophobicContact CG2-CG 3.89Å; V24-E108 WeakPolarHBondContact CG2-OE2 3.41Å; I104-E108 PolarHBondContact O-N 3.46Å; I104-E108 VanDerWaalsContact O-N 3.1Å; V105-E108 PolarHBondContact O-N 3.3Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 2.88Å; E108-R111 WeakPolarHBondContact O-CB 3.36Å; E108-R111 PolarHBondContact O-N 2.96Å; E108-R111 IonicContact OE2-NH1 3.31Å; E108-I112 WeakPolarHBondContact O-CG1 3.25Å; E108-I112 PolarHBondContact O-N 3.5Å; E108-G141 WeakPolarHBondContact OE1-CA 3.33Å; E108-L142 PolarHBondContact OE1-N 2.95Å |
| 109 | A | 95 | Very high | 94.5 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 22% | 0.223 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V105 L106 R111 I112 L113 L227 | V105-A109 WeakPolarHBondContact O-CB 3.31Å; V105-A109 PolarHBondContact O-N 3.29Å; L106-A109 PolarHBondContact O-N 2.85Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 3.33Å; A109-I112 PolarHBondContact O-N 2.95Å; A109-L113 WeakPolarHBondContact O-CB 3.34Å; A109-L113 PolarHBondContact O-N 3.42Å; A109-L227 HydrophobicContact CB-CD2 3.72Å |
| 110 | L | 95.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 25.9 Ų | 25.9 | 30% | 0.298 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 176.9 | -72.3 | 173.3 | 0 | 0 | 0 | 111.8 | L106 G107 L113 A114 I138 | L106-L110 HydrophobicContact CD1-CD1 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.35Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.26Å; G107-L110 PolarHBondContact O-N 3.06Å; L110-L113 PolarHBondContact O-N 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.44Å; L110-A114 PolarHBondContact O-N 3.23Å; L110-I138 HydrophobicContact CD1-CD1 3.53Å |
| 111 | R | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -53.2 | 173.4 | 179.4 | -151.4 | 174.9 | 169.3 | 4 | 111.6 | F28 G107 E108 A109 L113 A114 V115 S131 E132 E135 | F28-R111 VanDerWaalsContact CG-NH2 3.29Å; F28-R111 VanDerWaalsContact CZ-CZ 3.47Å; G107-R111 WeakPolarHBondContact O-CB 3.4Å; G107-R111 PolarHBondContact O-N 3.42Å; E108-R111 WeakPolarHBondContact O-CB 3.36Å; E108-R111 PolarHBondContact O-N 2.96Å; E108-R111 IonicContact OE2-NH1 3.31Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 3.33Å; R111-L113 VanDerWaalsContact C-N 3.25Å; R111-L113 PolarHBondContact O-N 3.44Å; R111-A114 PolarHBondContact O-N 3.11Å; R111-A114 VanDerWaalsContact O-N 3.08Å; R111-V115 WeakPolarHBondContact O-CG2 3.32Å; R111-V115 PolarHBondContact O-N 3.01Å; R111-S131 WeakPolarHBondContact CG-O 2.99Å; R111-E132 IonicContact CZ-OE1 3.44Å; R111-E132 IonicContact NE-OE1 2.83Å; R111-E132 IonicContact NH2-OE1 3.16Å; R111-E132 PolarHBondContact NH2-OE1 3.09Å; R111-E135 HydrophobicContact CB-CB 4.05Å; R111-E135 WeakPolarHBondContact CD-OE2 3.3Å; R111-E135 HydrophobicContact CG-CB 4.02Å; R111-E135 IonicContact CZ-OE2 2.81Å; R111-E135 IonicContact NE-OE2 2.79Å; R111-E135 PolarHBondContact NE-OE2 3.3Å; R111-E135 IonicContact NH1-OE2 3.6Å; R111-E135 PolarHBondContact NH1-OE2 3.37Å; R111-E135 IonicContact NH2-OE2 2.82Å |
| 112 | I | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 179.8 | -69.3 | 162.1 | 0 | 0 | 0 | 110.4 | S23 V24 E108 A109 A114 V115 C116 M220 I224 L227 | S23-I112 VanDerWaalsContact OG-CD1 3.27Å; S23-I112 WeakPolarHBondContact OG-CD1 3.47Å; V24-I112 HydrophobicContact CG2-CD1 4.28Å; E108-I112 WeakPolarHBondContact O-CG1 3.25Å; E108-I112 PolarHBondContact O-N 3.5Å; A109-I112 PolarHBondContact O-N 2.95Å; I112-A114 PolarHBondContact O-N 3.23Å; I112-V115 PolarHBondContact O-N 3.31Å; I112-C116 VanDerWaalsContact O-CB 3.25Å; I112-C116 WeakPolarHBondContact O-CB 3.3Å; I112-C116 PolarHBondContact O-N 2.97Å; I112-M220 WeakPolarHBondContact O-CE 3.43Å; I112-I224 HydrophobicContact CG2-CG1 3.95Å; I112-L227 HydrophobicContact CD1-CD1 4Å; I112-L227 HydrophobicContact CD1-CD2 4.08Å; I112-L227 HydrophobicContact CD1-CG 4.46Å |
| 113 | L | 95.8 | Very high | 94.8 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 175 | 179.8 | 62.5 | 0 | 0 | 0 | 112 | A109 L110 R111 C116 I117 | A109-L113 WeakPolarHBondContact O-CB 3.34Å; A109-L113 PolarHBondContact O-N 3.42Å; L110-L113 PolarHBondContact O-N 3.25Å; R111-L113 VanDerWaalsContact C-N 3.25Å; R111-L113 PolarHBondContact O-N 3.44Å; L113-C116 WeakPolarHBondContact O-CB 3.49Å; L113-C116 PolarHBondContact O-N 3.49Å; L113-I117 HydrophobicContact CG-CD1 4.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.29Å; L113-I117 PolarHBondContact O-N 3.24Å |
| 114 | A | 96.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L110 R111 I112 C116 I117 V118 L134 | L110-A114 WeakPolarHBondContact O-CB 3.44Å; L110-A114 PolarHBondContact O-N 3.23Å; R111-A114 PolarHBondContact O-N 3.11Å; R111-A114 VanDerWaalsContact O-N 3.08Å; I112-A114 PolarHBondContact O-N 3.23Å; A114-C116 VanDerWaalsContact C-N 3.25Å; A114-C116 PolarHBondContact O-N 3.07Å; A114-I117 PolarHBondContact O-N 2.58Å; A114-V118 WeakPolarHBondContact O-CG2 3.39Å; A114-V118 PolarHBondContact O-N 2.93Å; A114-V118 VanDerWaalsContact O-N 3.12Å; A114-L134 HydrophobicContact CB-CD1 3.79Å |
| 115 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 172.9 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | I30 R111 I112 I117 V118 V119 L128 S131 M220 | I30-V115 HydrophobicContact CG2-CG1 4.46Å; R111-V115 WeakPolarHBondContact O-CG2 3.32Å; R111-V115 PolarHBondContact O-N 3.01Å; I112-V115 PolarHBondContact O-N 3.31Å; V115-I117 PolarHBondContact O-N 3.37Å; V115-V118 PolarHBondContact O-N 3.46Å; V115-V119 HydrophobicContact CG1-CG2 4.15Å; V115-V119 WeakPolarHBondContact O-CB 3.49Å; V115-V119 VanDerWaalsContact O-CG2 3.32Å; V115-V119 WeakPolarHBondContact O-CG2 3.31Å; V115-V119 PolarHBondContact O-N 3.19Å; V115-L128 HydrophobicContact CB-CD2 4.31Å; V115-L128 HydrophobicContact CG1-CD2 3.91Å; V115-L128 HydrophobicContact CG2-CD2 4.16Å; V115-S131 VanDerWaalsContact CG2-CB 3.5Å; V115-S131 WeakPolarHBondContact CG2-OG 3.38Å; V115-M220 HydrophobicContact CB-CE 3.43Å; V115-M220 VanDerWaalsContact CB-CE 3.43Å; V115-M220 HydrophobicContact CG1-CE 3.32Å |
| 116 | C | 95.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | -179.8 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | I112 L113 A114 V118 V119 F120 M220 I224 | I112-C116 VanDerWaalsContact O-CB 3.25Å; I112-C116 WeakPolarHBondContact O-CB 3.3Å; I112-C116 PolarHBondContact O-N 2.97Å; L113-C116 WeakPolarHBondContact O-CB 3.49Å; L113-C116 PolarHBondContact O-N 3.49Å; A114-C116 VanDerWaalsContact C-N 3.25Å; A114-C116 PolarHBondContact O-N 3.07Å; C116-V118 PolarHBondContact O-N 2.85Å; C116-V119 PolarHBondContact O-N 3.01Å; C116-F120 WeakPolarHBondContact O-CB 3.3Å; C116-F120 VanDerWaalsContact O-CG 3.32Å; C116-F120 WeakPolarHBondContact O-CG 3.45Å; C116-F120 PolarHBondContact O-N 3.29Å; C116-F120 WeakPolarHBondContact SG-CD2 3.38Å; C116-F120 WeakPolarHBondContact SG-CE2 3.44Å; C116-F120 WeakPolarHBondContact SG-CZ 3.26Å; C116-M220 HydrophobicContact CB-CE 3.71Å; C116-M220 HydrophobicContact CB-CG 3.93Å; C116-I224 HydrophobicContact CB-CD1 4.25Å |
| 117 | I | 96.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.4 | -49 | 174.1 | -67.5 | 165.7 | 0 | 0 | 0 | 110.1 | L113 A114 V115 V119 F120 F121 F123 | L113-I117 HydrophobicContact CG-CD1 4.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.29Å; L113-I117 PolarHBondContact O-N 3.24Å; A114-I117 PolarHBondContact O-N 2.58Å; V115-I117 PolarHBondContact O-N 3.37Å; I117-V119 VanDerWaalsContact C-N 3.34Å; I117-V119 PolarHBondContact O-N 2.91Å; I117-F120 PolarHBondContact O-N 3.47Å; I117-F121 HydrophobicContact CG2-CD2 3.92Å; I117-F121 HydrophobicContact CG2-CE2 4.35Å; I117-F121 VanDerWaalsContact O-CD2 3.28Å; I117-F121 WeakPolarHBondContact O-CD2 3.5Å; I117-F121 PolarHBondContact O-N 3.5Å; I117-F123 HydrophobicContact CG2-CD2 4.32Å; I117-F123 HydrophobicContact CG2-CE2 3.83Å |
| 118 | V | 96.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | -179.5 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | F34 A114 V115 C116 N122 F123 L128 | F34-V118 HydrophobicContact CE1-CG1 3.95Å; F34-V118 HydrophobicContact CZ-CG1 4.39Å; A114-V118 WeakPolarHBondContact O-CG2 3.39Å; A114-V118 PolarHBondContact O-N 2.93Å; A114-V118 VanDerWaalsContact O-N 3.12Å; V115-V118 PolarHBondContact O-N 3.46Å; C116-V118 PolarHBondContact O-N 2.85Å; V118-N122 WeakPolarHBondContact O-CA 3.46Å; V118-N122 PolarHBondContact O-N 3.49Å; V118-N122 VanDerWaalsContact O-N 3.08Å; V118-F123 HydrophobicContact CG1-CB 4.17Å; V118-F123 HydrophobicContact CG2-CD2 4.47Å; V118-F123 PolarHBondContact O-N 2.81Å; V118-L128 HydrophobicContact CB-CD2 3.94Å; V118-L128 HydrophobicContact CG1-CD2 3.77Å; V118-L128 HydrophobicContact CG1-CG 3.9Å; V118-L128 HydrophobicContact CG2-CD2 4.27Å |
| 119 | V | 95 | Very high | 94.8 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.4 | -43.4 | -178.6 | 171 | 0 | 0 | 0 | 0 | 112 | I30 F34 V115 C116 I117 N122 F216 | I30-V119 HydrophobicContact CG2-CG2 4.03Å; F34-V119 HydrophobicContact CD2-CG2 4.06Å; F34-V119 HydrophobicContact CE2-CG2 4.44Å; F34-V119 HydrophobicContact CG-CG2 4.3Å; V115-V119 HydrophobicContact CG1-CG2 4.15Å; V115-V119 WeakPolarHBondContact O-CB 3.49Å; V115-V119 VanDerWaalsContact O-CG2 3.32Å; V115-V119 WeakPolarHBondContact O-CG2 3.31Å; V115-V119 PolarHBondContact O-N 3.19Å; C116-V119 PolarHBondContact O-N 3.01Å; I117-V119 VanDerWaalsContact C-N 3.34Å; I117-V119 PolarHBondContact O-N 2.91Å; V119-N122 PolarHBondContact O-N 3.41Å; V119-F216 HydrophobicContact CG1-CB 3.73Å |
| 120 | F | 94.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | -177.3 | -73.4 | -5.3 | 0 | 0 | 0 | 113.3 | C116 I117 N122 Y217 M220 L221 | C116-F120 WeakPolarHBondContact O-CB 3.3Å; C116-F120 VanDerWaalsContact O-CG 3.32Å; C116-F120 WeakPolarHBondContact O-CG 3.45Å; C116-F120 PolarHBondContact O-N 3.29Å; C116-F120 WeakPolarHBondContact SG-CD2 3.38Å; C116-F120 WeakPolarHBondContact SG-CE2 3.44Å; C116-F120 WeakPolarHBondContact SG-CZ 3.26Å; I117-F120 PolarHBondContact O-N 3.47Å; F120-N122 VanDerWaalsContact C-N 3.28Å; F120-Y217 AromaticContact CD1-CD2 3.43Å; F120-Y217 HydrophobicContact CD1-CD2 3.43Å; F120-Y217 VanDerWaalsContact CD1-CD2 3.43Å; F120-Y217 AromaticContact CD1-CE2 3.71Å; F120-Y217 HydrophobicContact CD1-CE2 3.71Å; F120-Y217 HydrophobicContact CD1-CG 4.46Å; F120-Y217 HydrophobicContact CD2-CE2 4.36Å; F120-Y217 AromaticContact CE1-CD2 3.41Å; F120-Y217 HydrophobicContact CE1-CD2 3.41Å; F120-Y217 VanDerWaalsContact CE1-CD2 3.41Å; F120-Y217 AromaticContact CE1-CE2 3.58Å; F120-Y217 HydrophobicContact CE1-CE2 3.58Å; F120-Y217 HydrophobicContact CE1-CG 4.17Å; F120-Y217 HydrophobicContact CE2-CE2 4.25Å; F120-Y217 HydrophobicContact CG-CD2 4.21Å; F120-Y217 HydrophobicContact CG-CE2 4.12Å; F120-Y217 HydrophobicContact CZ-CD2 4.2Å; F120-Y217 AromaticContact CZ-CE2 3.9Å; F120-Y217 HydrophobicContact CZ-CE2 3.9Å; F120-M220 HydrophobicContact CE1-CB 3.9Å; F120-M220 HydrophobicContact CE1-CG 4.17Å; F120-M220 HydrophobicContact CZ-CB 4.43Å; F120-M220 HydrophobicContact CZ-CG 4.45Å; F120-L221 HydrophobicContact CE1-CD1 3.99Å; F120-L221 HydrophobicContact CE2-CD1 4.42Å; F120-L221 HydrophobicContact CZ-CD1 3.46Å; F120-L221 VanDerWaalsContact CZ-CD1 3.46Å |
| 121 | F | 94.1 | Very high | 94.7 | Very high | 142 Ų | 142 | 46.7 Ų | 46.7 | 62% | 0.623 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.9 | 177.9 | -65.9 | -75.6 | 0 | 0 | 0 | 112.9 | I117 F123 | I117-F121 HydrophobicContact CG2-CD2 3.92Å; I117-F121 HydrophobicContact CG2-CE2 4.35Å; I117-F121 VanDerWaalsContact O-CD2 3.28Å; I117-F121 WeakPolarHBondContact O-CD2 3.5Å; I117-F121 PolarHBondContact O-N 3.5Å; F121-F123 HydrophobicContact CB-CD1 3.96Å; F121-F123 HydrophobicContact CB-CD2 4.22Å; F121-F123 HydrophobicContact CB-CE1 3.68Å; F121-F123 HydrophobicContact CB-CE2 3.95Å; F121-F123 HydrophobicContact CB-CG 4.22Å; F121-F123 HydrophobicContact CB-CZ 3.67Å; F121-F123 HydrophobicContact CD2-CE2 4.47Å; F121-F123 HydrophobicContact CD2-CZ 4.5Å; F121-F123 HydrophobicContact CG-CE2 4.46Å; F121-F123 HydrophobicContact CG-CZ 4.14Å; F121-F123 PolarHBondContact O-N 2.93Å |
| 122 | N | 91.3 | Very high | 94.5 | Very high | 120 Ų | 120 | 46.9 Ų | 46.9 | 64% | 0.642 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45.5 | -177.5 | -163.8 | 31.7 | 0 | 0 | 0 | 112.3 | V118 V119 F120 | V118-N122 WeakPolarHBondContact O-CA 3.46Å; V118-N122 PolarHBondContact O-N 3.49Å; V118-N122 VanDerWaalsContact O-N 3.08Å; V119-N122 PolarHBondContact O-N 3.41Å; F120-N122 VanDerWaalsContact C-N 3.28Å |
| 123 | F | 93.2 | Very high | 94.4 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | trans | -68.7 | 163.4 | 177.9 | -69.9 | -31.1 | 0 | 0 | 0 | 111.3 | I117 V118 F121 | I117-F123 HydrophobicContact CG2-CD2 4.32Å; I117-F123 HydrophobicContact CG2-CE2 3.83Å; V118-F123 HydrophobicContact CG1-CB 4.17Å; V118-F123 HydrophobicContact CG2-CD2 4.47Å; V118-F123 PolarHBondContact O-N 2.81Å; F121-F123 HydrophobicContact CB-CD1 3.96Å; F121-F123 HydrophobicContact CB-CD2 4.22Å; F121-F123 HydrophobicContact CB-CE1 3.68Å; F121-F123 HydrophobicContact CB-CE2 3.95Å; F121-F123 HydrophobicContact CB-CG 4.22Å; F121-F123 HydrophobicContact CB-CZ 3.67Å; F121-F123 HydrophobicContact CD2-CE2 4.47Å; F121-F123 HydrophobicContact CD2-CZ 4.5Å; F121-F123 HydrophobicContact CG-CE2 4.46Å; F121-F123 HydrophobicContact CG-CZ 4.14Å; F121-F123 PolarHBondContact O-N 2.93Å | ||
| 124 | S | 93.7 | Very high | 94.4 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 44% | 0.441 | 25% | 0.246 | S | C | . | . | trans | -52.4 | 139.5 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | W126 S127 | S124-W126 PolarHBondContact O-N 2.93Å; S124-S127 WeakPolarHBondContact O-CB 3.41Å; S124-S127 PolarHBondContact O-N 3.32Å; S124-S127 PolarHBondContact O-OG 3.45Å | ||
| 125 | P | 93.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -57.5 | -23.5 | 178.8 | 22.3 | -34.8 | 0 | 0 | 0 | 113.3 | I35 I69 S127 L128 | I35-P125 HydrophobicContact CG1-CB 4.09Å; I69-P125 HydrophobicContact CD1-CB 4.2Å; I69-P125 HydrophobicContact CD1-CG 3.97Å; P125-S127 PolarHBondContact O-N 3.15Å; P125-L128 WeakPolarHBondContact O-CB 3.48Å; P125-L128 PolarHBondContact O-N 2.96Å |
| 126 | W | 93.5 | Very high | 93.8 | Very high | 110 Ų | 110 | 47.6 Ų | 47.6 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -60.2 | -26.3 | 171.9 | -70.3 | 105.4 | 0 | 0 | 0 | 113.6 | I69 V72 S124 L128 I129 | I69-W126 HydrophobicContact CD1-CD2 4.49Å; I69-W126 HydrophobicContact CD1-CZ2 4.29Å; I69-W126 HydrophobicContact CG1-CD2 4.08Å; I69-W126 HydrophobicContact CG1-CE3 4.28Å; I69-W126 HydrophobicContact CG1-CH2 3.83Å; I69-W126 HydrophobicContact CG1-CZ2 3.59Å; I69-W126 HydrophobicContact CG1-CZ3 4.17Å; V72-W126 HydrophobicContact CB-CZ3 4.34Å; V72-W126 HydrophobicContact CG1-CZ3 4.37Å; V72-W126 HydrophobicContact CG2-CZ3 4.38Å; S124-W126 PolarHBondContact O-N 2.93Å; W126-L128 PolarHBondContact O-N 2.92Å; W126-I129 HydrophobicContact CE3-CD1 3.75Å; W126-I129 HydrophobicContact CZ3-CD1 4.25Å; W126-I129 WeakPolarHBondContact O-CB 3.35Å; W126-I129 WeakPolarHBondContact O-CG1 3.49Å; W126-I129 PolarHBondContact O-N 3.07Å |
| 127 | S | 94.5 | Very high | 93.6 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -66.5 | -20 | 178.9 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | S124 P125 I129 V130 | S124-S127 WeakPolarHBondContact O-CB 3.41Å; S124-S127 PolarHBondContact O-N 3.32Å; S124-S127 PolarHBondContact O-OG 3.45Å; P125-S127 PolarHBondContact O-N 3.15Å; S127-I129 PolarHBondContact O-N 2.97Å; S127-V130 WeakPolarHBondContact O-CB 3.44Å; S127-V130 PolarHBondContact O-N 3.01Å; S127-V130 VanDerWaalsContact O-N 3.09Å |
| 128 | L | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -13 | 175.1 | -67.1 | 167.7 | 0 | 0 | 0 | 113.2 | F34 I35 K73 V115 V118 P125 W126 V130 S131 E132 | F34-L128 HydrophobicContact CD1-CD1 3.89Å; I35-L128 HydrophobicContact CD1-CD1 3.83Å; I35-L128 HydrophobicContact CG1-CD1 3.48Å; I35-L128 VanDerWaalsContact CG1-CD1 3.48Å; K73-L128 HydrophobicContact CD-CB 4.32Å; V115-L128 HydrophobicContact CB-CD2 4.31Å; V115-L128 HydrophobicContact CG1-CD2 3.91Å; V115-L128 HydrophobicContact CG2-CD2 4.16Å; V118-L128 HydrophobicContact CB-CD2 3.94Å; V118-L128 HydrophobicContact CG1-CD2 3.77Å; V118-L128 HydrophobicContact CG1-CG 3.9Å; V118-L128 HydrophobicContact CG2-CD2 4.27Å; P125-L128 WeakPolarHBondContact O-CB 3.48Å; P125-L128 PolarHBondContact O-N 2.96Å; W126-L128 PolarHBondContact O-N 2.92Å; L128-V130 PolarHBondContact O-N 3.36Å; L128-S131 PolarHBondContact O-N 3.27Å; L128-S131 PolarHBondContact O-OG 3.39Å; L128-E132 PolarHBondContact O-N 3.1Å |
| 129 | I | 94.7 | Very high | 92.8 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.138 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 169.4 | -70.3 | 171.9 | 0 | 0 | 0 | 110.7 | V72 L76 W126 S127 S131 E132 L133 | V72-I129 HydrophobicContact CG1-CD1 3.76Å; L76-I129 HydrophobicContact CD1-CD1 4.35Å; L76-I129 HydrophobicContact CD1-CG1 4.47Å; L76-I129 HydrophobicContact CD1-CG2 3.33Å; W126-I129 HydrophobicContact CE3-CD1 3.75Å; W126-I129 HydrophobicContact CZ3-CD1 4.25Å; W126-I129 WeakPolarHBondContact O-CB 3.35Å; W126-I129 WeakPolarHBondContact O-CG1 3.49Å; W126-I129 PolarHBondContact O-N 3.07Å; S127-I129 PolarHBondContact O-N 2.97Å; I129-S131 PolarHBondContact O-N 2.9Å; I129-E132 PolarHBondContact O-N 3.38Å; I129-L133 HydrophobicContact CG2-CD1 3.93Å; I129-L133 HydrophobicContact CG2-CG 4.25Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 3.5Å |
| 130 | V | 94.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 49 Ų | 49 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | -179 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | S127 L128 E132 L133 L134 | S127-V130 WeakPolarHBondContact O-CB 3.44Å; S127-V130 PolarHBondContact O-N 3.01Å; S127-V130 VanDerWaalsContact O-N 3.09Å; L128-V130 PolarHBondContact O-N 3.36Å; V130-E132 PolarHBondContact O-N 3.39Å; V130-L133 PolarHBondContact O-N 2.95Å; V130-L134 HydrophobicContact CG1-CD1 4.33Å; V130-L134 WeakPolarHBondContact O-CG 3.48Å; V130-L134 PolarHBondContact O-N 3.26Å; V130-L134 VanDerWaalsContact O-N 3.07Å |
| 131 | S | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -38.4 | 177.3 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | R111 V115 L128 I129 L134 E135 | R111-S131 WeakPolarHBondContact CG-O 2.99Å; V115-S131 VanDerWaalsContact CG2-CB 3.5Å; V115-S131 WeakPolarHBondContact CG2-OG 3.38Å; L128-S131 PolarHBondContact O-N 3.27Å; L128-S131 PolarHBondContact O-OG 3.39Å; I129-S131 PolarHBondContact O-N 2.9Å; S131-L134 WeakPolarHBondContact O-CB 3.37Å; S131-L134 PolarHBondContact O-N 3.48Å; S131-E135 PolarHBondContact O-N 3.45Å; S131-E135 VanDerWaalsContact O-N 3.13Å |
| 132 | E | 91.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -80.5 | -33 | -173.7 | -67.4 | -92.5 | 171.8 | 0 | 0 | 111.2 | K73 G77 R111 L128 I129 V130 L134 E135 G136 | K73-E132 HydrophobicContact CD-CG 3.84Å; K73-E132 HydrophobicContact CG-CB 4.01Å; K73-E132 HydrophobicContact CG-CG 3.45Å; K73-E132 VanDerWaalsContact CG-CG 3.45Å; G77-E132 VanDerWaalsContact CA-O 3.26Å; G77-E132 WeakPolarHBondContact CA-O 3.39Å; R111-E132 IonicContact CZ-OE1 3.44Å; R111-E132 IonicContact NE-OE1 2.83Å; R111-E132 IonicContact NH2-OE1 3.16Å; R111-E132 PolarHBondContact NH2-OE1 3.09Å; L128-E132 PolarHBondContact O-N 3.1Å; I129-E132 PolarHBondContact O-N 3.38Å; V130-E132 PolarHBondContact O-N 3.39Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 2.89Å; E132-E135 PolarHBondContact O-N 2.91Å; E132-G136 PolarHBondContact O-N 3.08Å |
| 133 | L | 93.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 30% | 0.298 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -37.8 | 166.7 | -75 | 173.2 | 0 | 0 | 0 | 112.3 | L76 T80 I129 V130 S137 | L76-L133 HydrophobicContact CB-CD2 3.87Å; L76-L133 HydrophobicContact CB-CG 4.29Å; T80-L133 HydrophobicContact CG2-CD2 3.77Å; I129-L133 HydrophobicContact CG2-CD1 3.93Å; I129-L133 HydrophobicContact CG2-CG 4.25Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 3.5Å; V130-L133 PolarHBondContact O-N 2.95Å; L133-S137 WeakPolarHBondContact O-CB 3.32Å; L133-S137 PolarHBondContact O-N 3.48Å; L133-S137 PolarHBondContact O-OG 2.92Å |
| 134 | L | 94 | Very high | 91.1 | Very high | 56 Ų | 56 | 31.4 Ų | 31.4 | 29% | 0.293 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 177.5 | -72.7 | 169.5 | 0 | 0 | 0 | 111.7 | A114 V130 S131 E132 S137 I138 | A114-L134 HydrophobicContact CB-CD1 3.79Å; V130-L134 HydrophobicContact CG1-CD1 4.33Å; V130-L134 WeakPolarHBondContact O-CG 3.48Å; V130-L134 PolarHBondContact O-N 3.26Å; V130-L134 VanDerWaalsContact O-N 3.07Å; S131-L134 WeakPolarHBondContact O-CB 3.37Å; S131-L134 PolarHBondContact O-N 3.48Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 2.89Å; L134-S137 PolarHBondContact O-N 2.91Å; L134-I138 HydrophobicContact CD2-CD1 4.48Å; L134-I138 WeakPolarHBondContact O-CB 3.41Å; L134-I138 PolarHBondContact O-N 3.48Å |
| 135 | E | 90.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.6 | -176.6 | -157.4 | 146.4 | 0 | 0 | 111.8 | R111 S131 E132 I138 G140 G141 | R111-E135 HydrophobicContact CB-CB 4.05Å; R111-E135 WeakPolarHBondContact CD-OE2 3.3Å; R111-E135 HydrophobicContact CG-CB 4.02Å; R111-E135 IonicContact CZ-OE2 2.81Å; R111-E135 IonicContact NE-OE2 2.79Å; R111-E135 PolarHBondContact NE-OE2 3.3Å; R111-E135 IonicContact NH1-OE2 3.6Å; R111-E135 PolarHBondContact NH1-OE2 3.37Å; R111-E135 IonicContact NH2-OE2 2.82Å; S131-E135 PolarHBondContact O-N 3.45Å; S131-E135 VanDerWaalsContact O-N 3.13Å; E132-E135 PolarHBondContact O-N 2.91Å; E135-I138 CarbonylContact O-C 3.6Å; E135-G140 PolarHBondContact O-N 3.16Å; E135-G141 PolarHBondContact O-N 3.25Å; E135-G141 WeakPolarHBondContact OE1-CA 3.13Å |
| 136 | G | 89.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G77 T80 G81 S84 E132 | G77-G136 VanDerWaalsContact O-CA 3.28Å; G77-G136 WeakPolarHBondContact O-CA 3.21Å; T80-G136 CarbonylContact C-O 3.58Å; T80-G136 WeakPolarHBondContact OG1-CA 3.02Å; G81-G136 WeakPolarHBondContact CA-O 2.99Å; G81-G136 PolarHBondContact N-O 3.13Å; S84-G136 WeakPolarHBondContact CB-O 3.4Å; S84-G136 PolarHBondContact OG-O 3.5Å; E132-G136 PolarHBondContact O-N 3.08Å |
| 137 | S | 92.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 25 Ų | 25 | 52% | 0.517 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -77.1 | -34.3 | -178.8 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | L133 L134 | L133-S137 WeakPolarHBondContact O-CB 3.32Å; L133-S137 PolarHBondContact O-N 3.48Å; L133-S137 PolarHBondContact O-OG 2.92Å; L134-S137 PolarHBondContact O-N 2.91Å |
| 138 | I | 92.9 | Very high | 90 | Very high | 55 Ų | 55 | 23.7 Ų | 23.7 | 28% | 0.282 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 111.8 | -175.1 | -55 | 173.8 | 0 | 0 | 0 | 109 | G107 L110 L134 E135 G140 | G107-I138 WeakPolarHBondContact CA-O 3.44Å; L110-I138 HydrophobicContact CD1-CD1 3.53Å; L134-I138 HydrophobicContact CD2-CD1 4.48Å; L134-I138 WeakPolarHBondContact O-CB 3.41Å; L134-I138 PolarHBondContact O-N 3.48Å; E135-I138 CarbonylContact O-C 3.6Å; I138-G140 PolarHBondContact O-N 3.18Å; I138-G140 VanDerWaalsContact O-N 3.16Å |
| 139 | G | 84.3 | Confident | 89.8 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -24.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G141 S144 | G139-G141 VanDerWaalsContact C-N 3.31Å; G139-G141 PolarHBondContact O-N 3.19Å; G139-S144 WeakPolarHBondContact O-CB 3.28Å; G139-S144 PolarHBondContact O-OG 3.47Å |
| 140 | G | 84.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 26 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S84 E135 I138 S144 R475 | S84-G140 WeakPolarHBondContact OG-CA 3.5Å; S84-G140 PolarHBondContact OG-N 3.49Å; E135-G140 PolarHBondContact O-N 3.16Å; I138-G140 PolarHBondContact O-N 3.18Å; I138-G140 VanDerWaalsContact O-N 3.16Å; G140-S144 PolarHBondContact O-OG 2.63Å; G140-R475 PolarHBondContact O-NH1 3.27Å; G140-R475 PolarHBondContact O-NH2 2.84Å |
| 141 | G | 88 | Confident | 88.9 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | 69.3 | -169.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | E108 E135 G139 L143 S144 V145 | E108-G141 WeakPolarHBondContact OE1-CA 3.33Å; E135-G141 PolarHBondContact O-N 3.25Å; E135-G141 WeakPolarHBondContact OE1-CA 3.13Å; G139-G141 VanDerWaalsContact C-N 3.31Å; G139-G141 PolarHBondContact O-N 3.19Å; G141-L143 VanDerWaalsContact C-N 3.3Å; G141-L143 PolarHBondContact O-N 3.17Å; G141-S144 WeakPolarHBondContact O-CB 3.2Å; G141-S144 PolarHBondContact O-N 3.18Å; G141-V145 PolarHBondContact O-N 3.33Å |
| 142 | L | 87.1 | Confident | 88.6 | Confident | 25 Ų | 25 | 20.6 Ų | 20.6 | 13% | 0.131 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.2 | -35.2 | -175.4 | -73.3 | 177.4 | 0 | 0 | 0 | 115.2 | V20 F21 V24 F28 E108 S144 V145 S146 | V20-L142 HydrophobicContact CG1-CD2 4.39Å; F21-L142 HydrophobicContact CD1-CD1 4.24Å; F21-L142 HydrophobicContact CD1-CD2 3.67Å; F21-L142 HydrophobicContact CD1-CG 4.45Å; F21-L142 HydrophobicContact CD2-CD2 4.21Å; F21-L142 HydrophobicContact CE1-CB 4.08Å; F21-L142 HydrophobicContact CE1-CD1 4.3Å; F21-L142 HydrophobicContact CE1-CD2 3.7Å; F21-L142 HydrophobicContact CE1-CG 4.26Å; F21-L142 HydrophobicContact CE2-CD2 4.25Å; F21-L142 HydrophobicContact CG-CD2 3.95Å; F21-L142 HydrophobicContact CZ-CB 4.39Å; F21-L142 HydrophobicContact CZ-CD2 4Å; V24-L142 HydrophobicContact CB-CD1 4.32Å; V24-L142 HydrophobicContact CB-CD2 3.91Å; V24-L142 HydrophobicContact CB-CG 4.3Å; V24-L142 HydrophobicContact CG1-CD1 3.69Å; V24-L142 HydrophobicContact CG1-CD2 3.87Å; V24-L142 HydrophobicContact CG1-CG 3.69Å; V24-L142 HydrophobicContact CG2-CD2 4.21Å; F28-L142 HydrophobicContact CD2-CD1 4.27Å; F28-L142 HydrophobicContact CE2-CD1 3.68Å; F28-L142 HydrophobicContact CE2-CG 4.44Å; E108-L142 PolarHBondContact OE1-N 2.95Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 2.76Å; L142-V145 WeakPolarHBondContact O-CB 3.28Å; L142-V145 PolarHBondContact O-N 2.99Å; L142-S146 PolarHBondContact O-N 3.02Å; L142-S146 PolarHBondContact O-OG 3Å |
| 143 | L | 84 | Confident | 88.3 | Confident | 38 Ų | 38 | 20.6 Ų | 20.6 | 20% | 0.199 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 177.1 | -68 | 171.1 | 0 | 0 | 0 | 111.1 | G141 S146 A147 R475 I478 | G141-L143 VanDerWaalsContact C-N 3.3Å; G141-L143 PolarHBondContact O-N 3.17Å; L143-S146 PolarHBondContact O-N 3.19Å; L143-S146 PolarHBondContact O-OG 3.45Å; L143-A147 WeakPolarHBondContact O-CB 3.37Å; L143-A147 PolarHBondContact O-N 3.26Å; L143-R475 HydrophobicContact CD1-CB 3.95Å; L143-R475 HydrophobicContact CD1-CG 3.79Å; L143-I478 HydrophobicContact CD1-CD1 3.88Å; L143-I478 HydrophobicContact CD2-CD1 3.98Å; L143-I478 HydrophobicContact CG-CD1 4.46Å |
| 144 | S | 87.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | G139 G140 G141 L142 S146 A147 Q148 | G139-S144 WeakPolarHBondContact O-CB 3.28Å; G139-S144 PolarHBondContact O-OG 3.47Å; G140-S144 PolarHBondContact O-OG 2.63Å; G141-S144 WeakPolarHBondContact O-CB 3.2Å; G141-S144 PolarHBondContact O-N 3.18Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 2.76Å; S144-S146 PolarHBondContact O-N 3.25Å; S144-A147 PolarHBondContact O-N 2.93Å; S144-Q148 VanDerWaalsContact O-CG 3.31Å; S144-Q148 WeakPolarHBondContact O-CG 3.41Å; S144-Q148 PolarHBondContact O-N 2.93Å |
| 145 | V | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.9 | -54 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | V20 F21 I104 G141 L142 A147 Q148 L149 | V20-V145 HydrophobicContact CG1-CG2 4.32Å; F21-V145 HydrophobicContact CD2-CG1 4.47Å; F21-V145 HydrophobicContact CE2-CB 4.08Å; F21-V145 HydrophobicContact CE2-CG1 3.69Å; F21-V145 HydrophobicContact CZ-CB 4.37Å; F21-V145 HydrophobicContact CZ-CG1 4.44Å; I104-V145 HydrophobicContact CB-CG2 4.38Å; I104-V145 HydrophobicContact CG2-CB 4.38Å; I104-V145 HydrophobicContact CG2-CG2 3.26Å; G141-V145 PolarHBondContact O-N 3.33Å; L142-V145 WeakPolarHBondContact O-CB 3.28Å; L142-V145 PolarHBondContact O-N 2.99Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-A147 PolarHBondContact O-N 2.81Å; V145-Q148 PolarHBondContact O-N 2.68Å; V145-L149 HydrophobicContact CG1-CD1 3.79Å; V145-L149 HydrophobicContact CG1-CG 4.17Å; V145-L149 VanDerWaalsContact O-CG 3.29Å; V145-L149 WeakPolarHBondContact O-CG 3.28Å; V145-L149 PolarHBondContact O-N 2.56Å |
| 146 | S | 87.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 17.2 Ų | 17.2 | 13% | 0.126 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | L142 L143 S144 Q148 L149 F150 | L142-S146 PolarHBondContact O-N 3.02Å; L142-S146 PolarHBondContact O-OG 3Å; L143-S146 PolarHBondContact O-N 3.19Å; L143-S146 PolarHBondContact O-OG 3.45Å; S144-S146 PolarHBondContact O-N 3.25Å; S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 2.85Å; S146-L149 PolarHBondContact O-N 3.28Å; S146-F150 WeakPolarHBondContact O-CD2 3.39Å; S146-F150 WeakPolarHBondContact O-CG 3.33Å; S146-F150 PolarHBondContact O-N 2.83Å |
| 147 | A | 85.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 17.4 Ų | 17.4 | 24% | 0.24 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L143 S144 V145 A151 | L143-A147 WeakPolarHBondContact O-CB 3.37Å; L143-A147 PolarHBondContact O-N 3.26Å; S144-A147 PolarHBondContact O-N 2.93Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-A147 PolarHBondContact O-N 2.81Å; A147-A151 WeakPolarHBondContact O-CB 3.3Å; A147-A151 PolarHBondContact O-N 2.94Å |
| 148 | Q | 88.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 17.4 Ų | 17.4 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.2 | -37.2 | 177.6 | -65 | -48.4 | -42.3 | 0 | 0 | 112.9 | I88 S92 T100 L101 I104 S144 V145 S146 A151 C152 | I88-Q148 HydrophobicContact CG2-CG 4.29Å; S92-Q148 VanDerWaalsContact CB-OE1 3.29Å; S92-Q148 PolarHBondContact OG-OE1 3.07Å; T100-Q148 HydrophobicContact CG2-CG 4.01Å; L101-Q148 HydrophobicContact CD2-CB 3.71Å; L101-Q148 HydrophobicContact CG-CB 4.23Å; I104-Q148 HydrophobicContact CD1-CB 4.33Å; I104-Q148 HydrophobicContact CD1-CG 3.54Å; S144-Q148 VanDerWaalsContact O-CG 3.31Å; S144-Q148 WeakPolarHBondContact O-CG 3.41Å; S144-Q148 PolarHBondContact O-N 2.93Å; V145-Q148 PolarHBondContact O-N 2.68Å; S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 2.85Å; Q148-A151 PolarHBondContact O-N 2.9Å; Q148-C152 PolarHBondContact O-N 3.48Å; Q148-C152 PolarHBondContact O-SG 2.6Å |
| 149 | L | 90.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 174.6 | -67.4 | 171.2 | 0 | 0 | 0 | 111.4 | L13 L16 A17 F21 L101 V145 S146 A151 C152 I153 L192 I196 | L13-L149 HydrophobicContact CB-CD2 4.46Å; L13-L149 HydrophobicContact CD2-CD2 3.92Å; L16-L149 HydrophobicContact CD2-CD2 4.38Å; A17-L149 HydrophobicContact CB-CD1 3.51Å; F21-L149 HydrophobicContact CE2-CD1 4.16Å; L101-L149 HydrophobicContact CD2-CD2 4.43Å; V145-L149 HydrophobicContact CG1-CD1 3.79Å; V145-L149 HydrophobicContact CG1-CG 4.17Å; V145-L149 VanDerWaalsContact O-CG 3.29Å; V145-L149 WeakPolarHBondContact O-CG 3.28Å; V145-L149 PolarHBondContact O-N 2.56Å; S146-L149 PolarHBondContact O-N 3.28Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.15Å; L149-C152 WeakPolarHBondContact O-CB 3.29Å; L149-C152 PolarHBondContact O-N 2.67Å; L149-I153 PolarHBondContact O-N 3.49Å; L149-L192 HydrophobicContact CB-CD2 3.68Å; L149-I196 HydrophobicContact CD1-CD1 4.11Å |
| 150 | F | 86.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 17.2 Ų | 17.2 | 11% | 0.114 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 174.7 | -66.4 | -50.3 | 0 | 0 | 0 | 112.1 | S146 I153 A154 F189 L192 D193 | S146-F150 WeakPolarHBondContact O-CD2 3.39Å; S146-F150 WeakPolarHBondContact O-CG 3.33Å; S146-F150 PolarHBondContact O-N 2.83Å; F150-I153 PolarHBondContact O-N 2.95Å; F150-A154 WeakPolarHBondContact O-CB 3.44Å; F150-A154 PolarHBondContact O-N 2.98Å; F150-F189 HydrophobicContact CB-CE1 4.11Å; F150-F189 HydrophobicContact CB-CZ 4.5Å; F150-F189 HydrophobicContact CD1-CB 4.4Å; F150-F189 AromaticContact CD1-CD1 3.61Å; F150-F189 HydrophobicContact CD1-CD1 3.61Å; F150-F189 HydrophobicContact CD1-CE1 4.03Å; F150-F189 HydrophobicContact CD1-CG 4.09Å; F150-F189 HydrophobicContact CE1-CB 4.32Å; F150-F189 HydrophobicContact CE1-CD1 4.33Å; F150-F189 HydrophobicContact CE1-CG 4.49Å; F150-F189 HydrophobicContact CG-CD1 4.5Å; F150-F189 WeakPolarHBondContact O-CE1 3.29Å; F150-L192 HydrophobicContact CD1-CD2 3.88Å; F150-L192 HydrophobicContact CE1-CD2 3.82Å; F150-L192 HydrophobicContact CE1-CG 4.48Å; F150-D193 HydrophobicContact CZ-CB 4.48Å |
| 151 | A | 84 | Confident | 82.3 | Confident | 22 Ų | 22 | 18.5 Ų | 18.5 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | A147 Q148 L149 I153 A154 D155 | A147-A151 WeakPolarHBondContact O-CB 3.3Å; A147-A151 PolarHBondContact O-N 2.94Å; Q148-A151 PolarHBondContact O-N 2.9Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.15Å; A151-I153 VanDerWaalsContact C-N 3.34Å; A151-I153 PolarHBondContact O-N 3.29Å; A151-A154 WeakPolarHBondContact O-CB 3.38Å; A151-A154 PolarHBondContact O-N 3.49Å; A151-A154 VanDerWaalsContact O-N 3.14Å; A151-D155 VanDerWaalsContact O-CG 3.29Å; A151-D155 PolarHBondContact O-N 3.4Å |
| 152 | C | 87 | Confident | 81.1 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 175.7 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | L13 Q148 L149 D155 L156 T240 | L13-C152 HydrophobicContact CD1-CB 3.82Å; L13-C152 HydrophobicContact CD2-CB 4.2Å; Q148-C152 PolarHBondContact O-N 3.48Å; Q148-C152 PolarHBondContact O-SG 2.6Å; L149-C152 WeakPolarHBondContact O-CB 3.29Å; L149-C152 PolarHBondContact O-N 2.67Å; C152-D155 PolarHBondContact O-N 3.49Å; C152-L156 WeakPolarHBondContact O-CB 3.3Å; C152-L156 VanDerWaalsContact O-CG 3.25Å; C152-L156 WeakPolarHBondContact O-CG 3.4Å; C152-L156 PolarHBondContact O-N 2.9Å; C152-T240 PolarHBondContact SG-OG1 3.31Å |
| 153 | I | 85.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 176.2 | -70.6 | 177.5 | 0 | 0 | 0 | 111 | L149 F150 A151 L156 T157 L188 F189 L192 | L149-I153 PolarHBondContact O-N 3.49Å; F150-I153 PolarHBondContact O-N 2.95Å; A151-I153 VanDerWaalsContact C-N 3.34Å; A151-I153 PolarHBondContact O-N 3.29Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-T157 HydrophobicContact CG2-CG2 4.41Å; I153-T157 WeakPolarHBondContact O-CG2 3.42Å; I153-T157 PolarHBondContact O-N 3.36Å; I153-T157 PolarHBondContact O-OG1 3.04Å; I153-L188 HydrophobicContact CD1-CB 4.44Å; I153-L188 HydrophobicContact CG2-CB 3.68Å; I153-L188 HydrophobicContact CG2-CD1 4.13Å; I153-F189 HydrophobicContact CB-CD1 4.07Å; I153-F189 HydrophobicContact CB-CE1 3.75Å; I153-F189 HydrophobicContact CD1-CD1 4.34Å; I153-F189 HydrophobicContact CG2-CD1 3.59Å; I153-F189 HydrophobicContact CG2-CE1 3.48Å; I153-F189 VanDerWaalsContact CG2-CE1 3.48Å; I153-L192 HydrophobicContact CD1-CB 3.75Å; I153-L192 HydrophobicContact CD1-CD2 3.43Å; I153-L192 VanDerWaalsContact CD1-CD2 3.43Å; I153-L192 HydrophobicContact CD1-CG 4.09Å; I153-L192 HydrophobicContact CG1-CD2 4.49Å |
| 154 | A | 80.9 | Confident | 78.7 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | F150 A151 L156 T157 Q158 F189 | F150-A154 WeakPolarHBondContact O-CB 3.44Å; F150-A154 PolarHBondContact O-N 2.98Å; A151-A154 WeakPolarHBondContact O-CB 3.38Å; A151-A154 PolarHBondContact O-N 3.49Å; A151-A154 VanDerWaalsContact O-N 3.14Å; A154-L156 PolarHBondContact O-N 2.77Å; A154-T157 PolarHBondContact O-N 3.47Å; A154-T157 PolarHBondContact O-OG1 3.07Å; A154-Q158 PolarHBondContact O-N 3.36Å; A154-Q158 VanDerWaalsContact O-N 3.12Å; A154-F189 HydrophobicContact CB-CZ 4.39Å |
| 155 | D | 81.7 | Confident | 77.4 | Confident | 20 Ų | 20 | 32.3 Ų | 32.3 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 178.2 | -66.7 | -20.8 | 0 | 0 | 0 | 111.1 | R97 A151 C152 Q158 K159 | R97-D155 IonicContact CZ-OD2 3.3Å; R97-D155 IonicContact NE-OD2 3.06Å; R97-D155 PolarHBondContact NE-OD2 3.24Å; R97-D155 IonicContact NH2-OD1 3.77Å; R97-D155 IonicContact NH2-OD2 2.87Å; R97-D155 PolarHBondContact NH2-OD2 3.5Å; A151-D155 VanDerWaalsContact O-CG 3.29Å; A151-D155 PolarHBondContact O-N 3.4Å; C152-D155 PolarHBondContact O-N 3.49Å; D155-Q158 PolarHBondContact O-N 2.91Å; D155-K159 PolarHBondContact O-N 2.69Å |
| 156 | L | 81.4 | Confident | 76 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.2 | -72.5 | 170.9 | 0 | 0 | 0 | 112.7 | V9 V10 L13 C152 I153 A154 Q158 K159 S160 T240 | V9-L156 HydrophobicContact CB-CD1 4.32Å; V9-L156 HydrophobicContact CB-CD2 4.33Å; V9-L156 HydrophobicContact CG1-CD1 3.84Å; V9-L156 HydrophobicContact CG1-CD2 4.08Å; V10-L156 HydrophobicContact CG2-CD1 4.01Å; L13-L156 HydrophobicContact CD1-CD1 3.85Å; C152-L156 WeakPolarHBondContact O-CB 3.3Å; C152-L156 VanDerWaalsContact O-CG 3.25Å; C152-L156 WeakPolarHBondContact O-CG 3.4Å; C152-L156 PolarHBondContact O-N 2.9Å; I153-L156 PolarHBondContact O-N 3.46Å; A154-L156 PolarHBondContact O-N 2.77Å; L156-Q158 PolarHBondContact O-N 3.2Å; L156-K159 PolarHBondContact O-N 3.21Å; L156-S160 PolarHBondContact O-N 2.96Å; L156-S160 PolarHBondContact O-OG 3.22Å; L156-T240 HydrophobicContact CD2-CG2 4.22Å; L156-T240 HydrophobicContact CG-CG2 4.34Å |
| 157 | T | 79.2 | Confident | 74.7 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.3 | -24.9 | 179.4 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | I153 A154 K184 R185 L188 | I153-T157 HydrophobicContact CG2-CG2 4.41Å; I153-T157 WeakPolarHBondContact O-CG2 3.42Å; I153-T157 PolarHBondContact O-N 3.36Å; I153-T157 PolarHBondContact O-OG1 3.04Å; A154-T157 PolarHBondContact O-N 3.47Å; A154-T157 PolarHBondContact O-OG1 3.07Å; T157-K184 HydrophobicContact CG2-CG 4.44Å; T157-R185 HydrophobicContact CG2-CB 4.06Å; T157-R185 HydrophobicContact CG2-CG 4.43Å; T157-L188 HydrophobicContact CG2-CD1 3.7Å |
| 158 | Q | 74.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -79.2 | -43.1 | 176.1 | -173.2 | 160.7 | -10.7 | 0 | 0 | 111.9 | A154 D155 L156 S160 C161 D162 | A154-Q158 PolarHBondContact O-N 3.36Å; A154-Q158 VanDerWaalsContact O-N 3.12Å; D155-Q158 PolarHBondContact O-N 2.91Å; L156-Q158 PolarHBondContact O-N 3.2Å; Q158-S160 VanDerWaalsContact C-N 3.28Å; Q158-S160 PolarHBondContact O-N 2.94Å; Q158-C161 WeakPolarHBondContact O-CA 3.42Å; Q158-C161 WeakPolarHBondContact O-CB 3.28Å; Q158-C161 PolarHBondContact O-N 2.84Å; Q158-D162 PolarHBondContact O-N 3.45Å |
| 159 | K | 68.3 | Low | 71.6 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.5 | -40.9 | 174 | -72.2 | -179.2 | -175.3 | 175.9 | 0 | 112.9 | D155 L156 C161 D162 E163 T240 V242 | D155-K159 PolarHBondContact O-N 2.69Å; L156-K159 PolarHBondContact O-N 3.21Å; K159-C161 PolarHBondContact O-N 3.1Å; K159-C161 VanDerWaalsContact O-N 3.13Å; K159-D162 PolarHBondContact O-N 3.39Å; K159-D162 VanDerWaalsContact O-N 3.16Å; K159-E163 PolarHBondContact O-N 2.88Å; K159-E163 VanDerWaalsContact O-N 3.1Å; K159-T240 WeakPolarHBondContact CE-O 3.21Å; K159-T240 PolarHBondContact NZ-O 3.1Å; K159-V242 HydrophobicContact CG-CG2 4.47Å |
| 160 | S | 66.1 | Low | 70 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.3 | -31.5 | 173.4 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | E6 L156 Q158 I164 K184 | E6-S160 VanDerWaalsContact OE1-CB 3.29Å; E6-S160 WeakPolarHBondContact OE1-CB 3.35Å; E6-S160 PolarHBondContact OE1-OG 3.19Å; E6-S160 PolarHBondContact OE2-OG 3.36Å; L156-S160 PolarHBondContact O-N 2.96Å; L156-S160 PolarHBondContact O-OG 3.22Å; Q158-S160 VanDerWaalsContact C-N 3.28Å; Q158-S160 PolarHBondContact O-N 2.94Å; S160-I164 WeakPolarHBondContact O-CB 3.43Å; S160-I164 WeakPolarHBondContact O-CD1 3.39Å; S160-I164 WeakPolarHBondContact O-CG1 3.49Å; S160-I164 PolarHBondContact O-N 3.49Å; S160-K184 PolarHBondContact OG-NZ 3.41Å |
| 161 | C | 64.9 | Low | 68.5 | Low | 27 Ų | 27 | 69.1 Ų | 69.1 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.8 | -49.1 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | Q158 K159 E163 I164 V165 I181 | Q158-C161 WeakPolarHBondContact O-CA 3.42Å; Q158-C161 WeakPolarHBondContact O-CB 3.28Å; Q158-C161 PolarHBondContact O-N 2.84Å; K159-C161 PolarHBondContact O-N 3.1Å; K159-C161 VanDerWaalsContact O-N 3.13Å; C161-E163 VanDerWaalsContact C-N 3.3Å; C161-E163 PolarHBondContact O-N 3.16Å; C161-I164 PolarHBondContact O-N 3.16Å; C161-I164 VanDerWaalsContact O-N 3.09Å; C161-V165 WeakPolarHBondContact O-CG2 3.3Å; C161-V165 PolarHBondContact O-N 3.07Å; C161-I181 HydrophobicContact CB-CD1 3.49Å; C161-I181 VanDerWaalsContact CB-CD1 3.49Å; C161-I181 HydrophobicContact CB-CG1 4.35Å; C161-I181 WeakPolarHBondContact SG-CD1 3.23Å |
| 162 | D | 62.2 | Low | 67.1 | Low | 81 Ų | 81 | 71 Ų | 71 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | -176.3 | -60.4 | -24.7 | 0 | 0 | 0 | 110.6 | Q158 K159 V165 L166 | Q158-D162 PolarHBondContact O-N 3.45Å; K159-D162 PolarHBondContact O-N 3.39Å; K159-D162 VanDerWaalsContact O-N 3.16Å; D162-V165 PolarHBondContact O-N 2.99Å; D162-L166 WeakPolarHBondContact O-CG 3.43Å; D162-L166 PolarHBondContact O-N 3.38Å |
| 163 | E | 62.4 | Low | 65.9 | Low | 112 Ų | 112 | 76.9 Ų | 76.9 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 172.4 | -72.6 | -177.5 | -175.4 | 0 | 0 | 112.7 | K159 C161 V165 L166 I167 | K159-E163 PolarHBondContact O-N 2.88Å; K159-E163 VanDerWaalsContact O-N 3.1Å; C161-E163 VanDerWaalsContact C-N 3.3Å; C161-E163 PolarHBondContact O-N 3.16Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.36Å; E163-L166 PolarHBondContact O-N 3.01Å; E163-I167 WeakPolarHBondContact O-CD1 3.2Å; E163-I167 VanDerWaalsContact O-CG1 3.27Å; E163-I167 WeakPolarHBondContact O-CG1 3.39Å; E163-I167 PolarHBondContact O-N 3.31Å; E163-I167 VanDerWaalsContact O-N 3.17Å |
| 164 | I | 59.5 | Low | 64.7 | Low | 81 Ų | 81 | 80.6 Ų | 80.6 | 42% | 0.415 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 177.5 | -71.2 | 167 | 0 | 0 | 0 | 111.1 | S160 C161 L166 I167 S168 | S160-I164 WeakPolarHBondContact O-CB 3.43Å; S160-I164 WeakPolarHBondContact O-CD1 3.39Å; S160-I164 WeakPolarHBondContact O-CG1 3.49Å; S160-I164 PolarHBondContact O-N 3.49Å; C161-I164 PolarHBondContact O-N 3.16Å; C161-I164 VanDerWaalsContact O-N 3.09Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-I167 PolarHBondContact O-N 3.1Å; I164-S168 VanDerWaalsContact O-CB 3.27Å; I164-S168 WeakPolarHBondContact O-CB 3.39Å; I164-S168 PolarHBondContact O-N 3.3Å; I164-S168 PolarHBondContact O-OG 3.34Å |
| 165 | V | 60.1 | Low | 63.9 | Low | 80 Ų | 80 | 83.8 Ų | 83.8 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | C161 D162 E163 I167 | C161-V165 WeakPolarHBondContact O-CG2 3.3Å; C161-V165 PolarHBondContact O-N 3.07Å; D162-V165 PolarHBondContact O-N 2.99Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.36Å; V165-I167 VanDerWaalsContact C-N 3.32Å; V165-I167 PolarHBondContact O-N 3.35Å |
| 166 | L | 60.6 | Low | 63.2 | Low | 151 Ų | 151 | 85.8 Ų | 85.8 | 79% | 0.791 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.5 | -28.9 | 176.4 | -72.4 | 164.9 | 0 | 0 | 0 | 113.6 | D162 E163 I164 | D162-L166 WeakPolarHBondContact O-CG 3.43Å; D162-L166 PolarHBondContact O-N 3.38Å; E163-L166 PolarHBondContact O-N 3.01Å; I164-L166 VanDerWaalsContact C-N 3.33Å |
| 167 | I | 61.3 | Low | 62.4 | Low | 143 Ų | 143 | 86.3 Ų | 86.3 | 73% | 0.733 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -94.5 | -20.6 | -176 | -62.4 | 165.4 | 0 | 0 | 0 | 112.3 | E163 I164 V165 | E163-I167 WeakPolarHBondContact O-CD1 3.2Å; E163-I167 VanDerWaalsContact O-CG1 3.27Å; E163-I167 WeakPolarHBondContact O-CG1 3.39Å; E163-I167 PolarHBondContact O-N 3.31Å; E163-I167 VanDerWaalsContact O-N 3.17Å; I164-I167 PolarHBondContact O-N 3.1Å; V165-I167 VanDerWaalsContact C-N 3.32Å; V165-I167 PolarHBondContact O-N 3.35Å |
| 168 | S | 53.7 | Low | 61.7 | Low | 49 Ų | 49 | 90.1 Ų | 90.1 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | trans | -97.7 | 107.1 | -175 | -50.3 | 0 | 0 | 0 | 0 | 111.1 | I164 | I164-S168 VanDerWaalsContact O-CB 3.27Å; I164-S168 WeakPolarHBondContact O-CB 3.39Å; I164-S168 PolarHBondContact O-N 3.3Å; I164-S168 PolarHBondContact O-OG 3.34Å | ||
| 169 | D | 54.1 | Low | 61.4 | Low | 154 Ų | 154 | 91 Ų | 91 | 82% | 0.824 | 49% | 0.489 | S | S | * | . | trans | -47.6 | 141 | 154.6 | -105 | -25 | 0 | 0 | 0 | 109.4 | N171 | D169-N171 PolarHBondContact O-N 3.13Š| ||
| 170 | E | 56.5 | Low | 61.6 | Low | 196 Ų | 196 | 95.2 Ų | 95.2 | 92% | 0.916 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -43.4 | 7.8 | -161.2 | -61 | -174.9 | 137.2 | 0 | 0 | 120.6 | ||
| 171 | N | 54.3 | Low | 61.8 | Low | 166 Ų | 166 | 96.7 Ų | 96.7 | 89% | 0.888 | 51% | 0.514 | S | S | * | . | trans | -94.4 | 10.7 | -168 | -95 | -23.8 | 0 | 0 | 0 | 116.9 | D169 | D169-N171 PolarHBondContact O-N 3.13Š| ||
| 172 | M | 55.1 | Low | 62.1 | Low | 62 Ų | 62 | 98.1 Ų | 98.1 | 31% | 0.305 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -108.9 | 112.3 | 172.2 | -156.8 | -173 | 160.1 | 0 | 0 | 111.9 | S174 T176 Q177 K180 | M172-S174 PolarHBondContact O-N 2.98Å; M172-S174 VanDerWaalsContact O-N 3.09Å; M172-T176 HydrophobicContact CE-CG2 3.32Å; M172-Q177 HydrophobicContact CB-CG 4.38Å; M172-Q177 HydrophobicContact CE-CB 4.49Å; M172-Q177 HydrophobicContact CE-CG 3.71Å; M172-Q177 HydrophobicContact CG-CG 4.01Å; M172-Q177 HydrophobicContact SD-CG 3.4Å; M172-Q177 WeakPolarHBondContact SD-CG 3.41Å; M172-K180 HydrophobicContact CE-CD 4.08Å |
| 173 | N | 62 | Low | 62.8 | Low | 122 Ų | 122 | 97.1 Ų | 97.1 | 65% | 0.652 | 51% | 0.513 | S | S | * | . | trans | -47.5 | 119.1 | 175.6 | -70.9 | -7.8 | 0 | 0 | 0 | 110.9 | V175 T176 Q177 | N173-V175 PolarHBondContact O-N 3.03Å; N173-T176 WeakPolarHBondContact O-CA 3.37Å; N173-T176 WeakPolarHBondContact O-CB 3.24Å; N173-T176 PolarHBondContact O-N 2.77Å; N173-Q177 PolarHBondContact O-N 3.06Å | ||
| 174 | S | 61.3 | Low | 63.7 | Low | 82 Ų | 82 | 95.7 Ų | 95.7 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -47.3 | -33.4 | 178.1 | 58 | 0 | 0 | 0 | 0 | 113.3 | M172 Q177 T178 | M172-S174 PolarHBondContact O-N 2.98Å; M172-S174 VanDerWaalsContact O-N 3.09Å; S174-Q177 PolarHBondContact O-N 3.43Å; S174-T178 WeakPolarHBondContact O-CB 3.37Å; S174-T178 PolarHBondContact O-N 2.82Å; S174-T178 PolarHBondContact O-OG1 3.44Å |
| 175 | V | 64 | Low | 64.7 | Low | 83 Ų | 83 | 93 Ų | 93 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | N173 K179 | N173-V175 PolarHBondContact O-N 3.03Å; V175-K179 HydrophobicContact CG1-CD 4.34Å; V175-K179 WeakPolarHBondContact O-CB 3.27Å; V175-K179 VanDerWaalsContact O-CG 3.31Å; V175-K179 WeakPolarHBondContact O-CG 3.45Å; V175-K179 PolarHBondContact O-N 2.75Å |
| 176 | T | 67.3 | Low | 65.5 | Low | 62 Ų | 62 | 90.3 Ų | 90.3 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | -178.6 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | M172 N173 K180 | M172-T176 HydrophobicContact CE-CG2 3.32Å; N173-T176 WeakPolarHBondContact O-CA 3.37Å; N173-T176 WeakPolarHBondContact O-CB 3.24Å; N173-T176 PolarHBondContact O-N 2.77Å; T176-K180 WeakPolarHBondContact O-CG 3.2Å; T176-K180 PolarHBondContact O-N 2.89Å; T176-K180 VanDerWaalsContact O-N 3.09Å |
| 177 | Q | 63.3 | Low | 66.6 | Low | 29 Ų | 29 | 86.7 Ų | 86.7 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 173.8 | -72.4 | -179 | -20.9 | 0 | 0 | 111.2 | M172 N173 S174 K179 K180 I181 | M172-Q177 HydrophobicContact CB-CG 4.38Å; M172-Q177 HydrophobicContact CE-CB 4.49Å; M172-Q177 HydrophobicContact CE-CG 3.71Å; M172-Q177 HydrophobicContact CG-CG 4.01Å; M172-Q177 HydrophobicContact SD-CG 3.4Å; M172-Q177 WeakPolarHBondContact SD-CG 3.41Å; N173-Q177 PolarHBondContact O-N 3.06Å; S174-Q177 PolarHBondContact O-N 3.43Å; Q177-K179 VanDerWaalsContact C-N 3.3Å; Q177-K179 PolarHBondContact O-N 3.42Å; Q177-K180 WeakPolarHBondContact O-CB 3.4Å; Q177-K180 PolarHBondContact O-N 3.47Å; Q177-I181 WeakPolarHBondContact O-CD1 3.19Å; Q177-I181 WeakPolarHBondContact O-CG1 3.31Å; Q177-I181 PolarHBondContact O-N 3.42Å |
| 178 | T | 65.9 | Low | 67.8 | Low | 84 Ų | 84 | 81.3 Ų | 81.3 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.4 | -44.1 | 177 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | S174 K180 I181 V182 | S174-T178 WeakPolarHBondContact O-CB 3.37Å; S174-T178 PolarHBondContact O-N 2.82Å; S174-T178 PolarHBondContact O-OG1 3.44Å; T178-K180 PolarHBondContact O-N 3.31Å; T178-I181 PolarHBondContact O-N 3.04Å; T178-V182 WeakPolarHBondContact O-CG2 3.35Å; T178-V182 PolarHBondContact O-N 3.14Å |
| 179 | K | 67.7 | Low | 69.2 | Low | 93 Ų | 93 | 80.1 Ų | 80.1 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 176 | -77.1 | 178.5 | -179.3 | -175.9 | 0 | 112.7 | V175 Q177 K183 | V175-K179 HydrophobicContact CG1-CD 4.34Å; V175-K179 WeakPolarHBondContact O-CB 3.27Å; V175-K179 VanDerWaalsContact O-CG 3.31Å; V175-K179 WeakPolarHBondContact O-CG 3.45Å; V175-K179 PolarHBondContact O-N 2.75Å; Q177-K179 VanDerWaalsContact C-N 3.3Å; Q177-K179 PolarHBondContact O-N 3.42Å; K179-K183 WeakPolarHBondContact O-CB 3.49Å; K179-K183 VanDerWaalsContact O-CG 3.26Å; K179-K183 WeakPolarHBondContact O-CG 3.28Å; K179-K183 PolarHBondContact O-N 3.33Å; K179-K183 VanDerWaalsContact O-N 3.15Å |
| 180 | K | 71.4 | Confident | 70.7 | Confident | 133 Ų | 133 | 72.9 Ų | 72.9 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 176.9 | -76.6 | -177.5 | -177.8 | 177.9 | 0 | 111.4 | M172 T176 Q177 T178 K183 K184 | M172-K180 HydrophobicContact CE-CD 4.08Å; T176-K180 WeakPolarHBondContact O-CG 3.2Å; T176-K180 PolarHBondContact O-N 2.89Å; T176-K180 VanDerWaalsContact O-N 3.09Å; Q177-K180 WeakPolarHBondContact O-CB 3.4Å; Q177-K180 PolarHBondContact O-N 3.47Å; T178-K180 PolarHBondContact O-N 3.31Å; K180-K183 PolarHBondContact O-N 2.9Å; K180-K184 PolarHBondContact O-N 2.9Å |
| 181 | I | 71.4 | Confident | 72.3 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 179.3 | -65.6 | 156.4 | 0 | 0 | 0 | 110.8 | C161 Q177 T178 K183 K184 R185 | C161-I181 HydrophobicContact CB-CD1 3.49Å; C161-I181 VanDerWaalsContact CB-CD1 3.49Å; C161-I181 HydrophobicContact CB-CG1 4.35Å; C161-I181 WeakPolarHBondContact SG-CD1 3.23Å; Q177-I181 WeakPolarHBondContact O-CD1 3.19Å; Q177-I181 WeakPolarHBondContact O-CG1 3.31Å; Q177-I181 PolarHBondContact O-N 3.42Å; T178-I181 PolarHBondContact O-N 3.04Å; I181-K183 VanDerWaalsContact C-N 3.29Å; I181-K183 PolarHBondContact O-N 2.95Å; I181-K184 PolarHBondContact O-N 2.92Å; I181-R185 WeakPolarHBondContact O-CB 3.36Å; I181-R185 PolarHBondContact O-N 2.93Å |
| 182 | V | 70.6 | Confident | 74 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 35% | 0.345 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -41 | 178 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | T178 R185 W186 | T178-V182 WeakPolarHBondContact O-CG2 3.35Å; T178-V182 PolarHBondContact O-N 3.14Å; V182-R185 PolarHBondContact O-N 3.41Å; V182-W186 WeakPolarHBondContact O-CB 3.38Å; V182-W186 PolarHBondContact O-N 3.47Å |
| 183 | K | 76.3 | Confident | 75.5 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.8 | -74.2 | 179.2 | -177.9 | -169.1 | 0 | 112.1 | K179 K180 I181 W186 L187 V364 | K179-K183 WeakPolarHBondContact O-CB 3.49Å; K179-K183 VanDerWaalsContact O-CG 3.26Å; K179-K183 WeakPolarHBondContact O-CG 3.28Å; K179-K183 PolarHBondContact O-N 3.33Å; K179-K183 VanDerWaalsContact O-N 3.15Å; K180-K183 PolarHBondContact O-N 2.9Å; I181-K183 VanDerWaalsContact C-N 3.29Å; I181-K183 PolarHBondContact O-N 2.95Å; K183-W186 PolarHBondContact O-N 3.2Å; K183-L187 WeakPolarHBondContact O-CB 3.26Å; K183-L187 PolarHBondContact O-N 3.47Å; K183-V364 HydrophobicContact CD-CG1 4.33Å; K183-V364 HydrophobicContact CG-CG1 4.22Å |
| 184 | K | 80.9 | Confident | 76.9 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 176.9 | -173.6 | -178.7 | 177.1 | -172.8 | 0 | 110.1 | E6 T157 S160 K180 I181 L187 L188 | E6-K184 IonicContact OE2-NZ 2.83Å; E6-K184 PolarHBondContact OE2-NZ 2.98Å; T157-K184 HydrophobicContact CG2-CG 4.44Å; S160-K184 PolarHBondContact OG-NZ 3.41Å; K180-K184 PolarHBondContact O-N 2.9Å; I181-K184 PolarHBondContact O-N 2.92Å; K184-L187 PolarHBondContact O-N 2.85Å; K184-L188 HydrophobicContact CG-CD1 3.95Å; K184-L188 WeakPolarHBondContact O-CB 3.36Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.5Å; K184-L188 PolarHBondContact O-N 3.18Å |
| 185 | R | 80.4 | Confident | 78.4 | Confident | 25 Ų | 25 | 51 Ų | 51 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 179.6 | -171.5 | 172.7 | 73.7 | 179.7 | 4.7 | 112.9 | T157 I181 V182 L187 L188 F189 S455 | T157-R185 HydrophobicContact CG2-CB 4.06Å; T157-R185 HydrophobicContact CG2-CG 4.43Å; I181-R185 WeakPolarHBondContact O-CB 3.36Å; I181-R185 PolarHBondContact O-N 2.93Å; V182-R185 PolarHBondContact O-N 3.41Å; R185-L187 VanDerWaalsContact C-N 3.34Å; R185-L187 PolarHBondContact O-N 2.86Å; R185-L188 PolarHBondContact O-N 3.36Å; R185-F189 HydrophobicContact CG-CD1 4.44Å; R185-F189 HydrophobicContact CG-CD2 4.11Å; R185-F189 HydrophobicContact CG-CE1 4.03Å; R185-F189 HydrophobicContact CG-CE2 3.67Å; R185-F189 HydrophobicContact CG-CG 4.49Å; R185-F189 HydrophobicContact CG-CZ 3.63Å; R185-F189 WeakPolarHBondContact O-CG 3.23Å; R185-F189 PolarHBondContact O-N 3.03Å; R185-S455 PolarHBondContact NH2-OG 3.39Å |
| 186 | W | 78.2 | Confident | 79.7 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 178.4 | -174.4 | 12.4 | 0 | 0 | 0 | 111.2 | V182 K183 L188 F189 T190 V360 M363 V364 T452 | V182-W186 WeakPolarHBondContact O-CB 3.38Å; V182-W186 PolarHBondContact O-N 3.47Å; K183-W186 PolarHBondContact O-N 3.2Å; W186-L188 PolarHBondContact O-N 3.1Å; W186-F189 PolarHBondContact O-N 3Å; W186-T190 PolarHBondContact O-N 2.98Å; W186-T190 PolarHBondContact O-OG1 3.07Å; W186-V360 HydrophobicContact CD2-CG1 4.11Å; W186-V360 HydrophobicContact CG-CG1 4.36Å; W186-V360 HydrophobicContact CZ2-CB 4.39Å; W186-V360 HydrophobicContact CZ2-CG1 3.9Å; W186-V360 HydrophobicContact CZ2-CG2 4.16Å; W186-M363 HydrophobicContact CH2-CB 3.64Å; W186-M363 HydrophobicContact CH2-CE 4.11Å; W186-M363 HydrophobicContact CH2-SD 4.24Å; W186-M363 HydrophobicContact CZ2-CB 4.37Å; W186-M363 HydrophobicContact CZ2-CE 4.45Å; W186-M363 HydrophobicContact CZ2-SD 4.29Å; W186-M363 HydrophobicContact CZ3-CB 4.45Å; W186-V364 HydrophobicContact CD2-CG2 3.9Å; W186-V364 HydrophobicContact CE3-CG2 3.31Å; W186-V364 HydrophobicContact CH2-CG2 4.11Å; W186-V364 HydrophobicContact CZ3-CB 4.47Å; W186-V364 HydrophobicContact CZ3-CG2 3.42Å; W186-V364 VanDerWaalsContact CZ3-CG2 3.42Å; W186-T452 HydrophobicContact CD2-CG2 4.49Å |
| 187 | L | 83.4 | Confident | 80.9 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.8 | -174.5 | 66.5 | 0 | 0 | 0 | 111.8 | K183 K184 R185 T190 L191 | K183-L187 WeakPolarHBondContact O-CB 3.26Å; K183-L187 PolarHBondContact O-N 3.47Å; K184-L187 PolarHBondContact O-N 2.85Å; R185-L187 VanDerWaalsContact C-N 3.34Å; R185-L187 PolarHBondContact O-N 2.86Å; L187-T190 PolarHBondContact O-N 3.2Å; L187-L191 HydrophobicContact CD1-CD1 4.35Å; L187-L191 HydrophobicContact CD1-CG 4.39Å; L187-L191 HydrophobicContact CD2-CD1 4.48Å; L187-L191 HydrophobicContact CG-CD1 3.91Å; L187-L191 HydrophobicContact CG-CG 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 3.38Å |
| 188 | L | 85.5 | Confident | 82.4 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 178.8 | -74 | 170.9 | 0 | 0 | 0 | 112.5 | V10 I153 T157 K184 R185 W186 L191 L192 | V10-L188 HydrophobicContact CG1-CD2 4.12Å; I153-L188 HydrophobicContact CD1-CB 4.44Å; I153-L188 HydrophobicContact CG2-CB 3.68Å; I153-L188 HydrophobicContact CG2-CD1 4.13Å; T157-L188 HydrophobicContact CG2-CD1 3.7Å; K184-L188 HydrophobicContact CG-CD1 3.95Å; K184-L188 WeakPolarHBondContact O-CB 3.36Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.5Å; K184-L188 PolarHBondContact O-N 3.18Å; R185-L188 PolarHBondContact O-N 3.36Å; W186-L188 PolarHBondContact O-N 3.1Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 PolarHBondContact O-N 3.34Å |
| 189 | F | 84.5 | Confident | 83.7 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 10% | 0.101 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.5 | -71.9 | -14.2 | 0 | 0 | 0 | 111.9 | F150 I153 A154 R185 W186 L192 D193 | F150-F189 HydrophobicContact CB-CE1 4.11Å; F150-F189 HydrophobicContact CB-CZ 4.5Å; F150-F189 HydrophobicContact CD1-CB 4.4Å; F150-F189 AromaticContact CD1-CD1 3.61Å; F150-F189 HydrophobicContact CD1-CD1 3.61Å; F150-F189 HydrophobicContact CD1-CE1 4.03Å; F150-F189 HydrophobicContact CD1-CG 4.09Å; F150-F189 HydrophobicContact CE1-CB 4.32Å; F150-F189 HydrophobicContact CE1-CD1 4.33Å; F150-F189 HydrophobicContact CE1-CG 4.49Å; F150-F189 HydrophobicContact CG-CD1 4.5Å; F150-F189 WeakPolarHBondContact O-CE1 3.29Å; I153-F189 HydrophobicContact CB-CD1 4.07Å; I153-F189 HydrophobicContact CB-CE1 3.75Å; I153-F189 HydrophobicContact CD1-CD1 4.34Å; I153-F189 HydrophobicContact CG2-CD1 3.59Å; I153-F189 HydrophobicContact CG2-CE1 3.48Å; I153-F189 VanDerWaalsContact CG2-CE1 3.48Å; A154-F189 HydrophobicContact CB-CZ 4.39Å; R185-F189 HydrophobicContact CG-CD1 4.44Å; R185-F189 HydrophobicContact CG-CD2 4.11Å; R185-F189 HydrophobicContact CG-CE1 4.03Å; R185-F189 HydrophobicContact CG-CE2 3.67Å; R185-F189 HydrophobicContact CG-CG 4.49Å; R185-F189 HydrophobicContact CG-CZ 3.63Å; R185-F189 WeakPolarHBondContact O-CG 3.23Å; R185-F189 PolarHBondContact O-N 3.03Å; W186-F189 PolarHBondContact O-N 3Å; F189-L192 PolarHBondContact O-N 2.87Å; F189-D193 VanDerWaalsContact O-CB 3.26Å; F189-D193 WeakPolarHBondContact O-CB 3.47Å; F189-D193 PolarHBondContact O-N 3.33Å |
| 190 | T | 85.7 | Confident | 85 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | W186 L187 G194 I357 V360 | W186-T190 PolarHBondContact O-N 2.98Å; W186-T190 PolarHBondContact O-OG1 3.07Å; L187-T190 PolarHBondContact O-N 3.2Å; T190-G194 PolarHBondContact O-N 3.49Å; T190-I357 HydrophobicContact CG2-CG1 3.99Å; T190-V360 HydrophobicContact CG2-CB 4.01Å; T190-V360 HydrophobicContact CG2-CG1 4.15Å; T190-V360 HydrophobicContact CG2-CG2 3.96Å |
| 191 | L | 88.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 34 Ų | 34 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -47.2 | 175 | -74.6 | 172.9 | 0 | 0 | 0 | 111.4 | L187 L188 G194 V195 | L187-L191 HydrophobicContact CD1-CD1 4.35Å; L187-L191 HydrophobicContact CD1-CG 4.39Å; L187-L191 HydrophobicContact CD2-CD1 4.48Å; L187-L191 HydrophobicContact CG-CD1 3.91Å; L187-L191 HydrophobicContact CG-CG 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 3.38Å; L188-L191 PolarHBondContact O-N 2.96Å; L191-G194 CarbonylContact O-C 3.56Å; L191-G194 WeakPolarHBondContact O-CA 3.44Å; L191-G194 PolarHBondContact O-N 3.48Å; L191-V195 WeakPolarHBondContact O-CG2 3.11Å; L191-V195 PolarHBondContact O-N 3.08Å |
| 192 | L | 89.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.9 | 176.7 | 69.2 | 0 | 0 | 0 | 111.2 | D14 A17 L149 F150 I153 L188 F189 G194 V195 I196 | D14-L192 WeakPolarHBondContact OD1-CD1 3.38Å; A17-L192 HydrophobicContact CB-CD1 3.84Å; L149-L192 HydrophobicContact CB-CD2 3.68Å; F150-L192 HydrophobicContact CD1-CD2 3.88Å; F150-L192 HydrophobicContact CE1-CD2 3.82Å; F150-L192 HydrophobicContact CE1-CG 4.48Å; I153-L192 HydrophobicContact CD1-CB 3.75Å; I153-L192 HydrophobicContact CD1-CD2 3.43Å; I153-L192 VanDerWaalsContact CD1-CD2 3.43Å; I153-L192 HydrophobicContact CD1-CG 4.09Å; I153-L192 HydrophobicContact CG1-CD2 4.49Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 PolarHBondContact O-N 3.34Å; F189-L192 PolarHBondContact O-N 2.87Å; L192-G194 PolarHBondContact O-N 2.95Å; L192-V195 PolarHBondContact O-N 3.01Å; L192-V195 VanDerWaalsContact O-N 3.14Å; L192-I196 HydrophobicContact CD1-CD1 4.2Å; L192-I196 HydrophobicContact CD1-CG1 4.48Å; L192-I196 HydrophobicContact CD2-CD1 4.43Å; L192-I196 HydrophobicContact CG-CD1 3.94Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.19Å |
| 193 | D | 87.6 | Confident | 88.4 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 23% | 0.225 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 177.1 | -169.4 | 67.1 | 0 | 0 | 0 | 111.4 | F150 F189 T197 | F150-D193 HydrophobicContact CZ-CB 4.48Å; F189-D193 VanDerWaalsContact O-CB 3.26Å; F189-D193 WeakPolarHBondContact O-CB 3.47Å; F189-D193 PolarHBondContact O-N 3.33Å; D193-T197 VanDerWaalsContact O-CB 3.32Å; D193-T197 WeakPolarHBondContact O-CB 3.36Å; D193-T197 PolarHBondContact O-N 3.3Å; D193-T197 PolarHBondContact O-OG1 3.43Å |
| 194 | G | 91 | Very high | 89.3 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T190 L191 L192 T197 C198 | T190-G194 PolarHBondContact O-N 3.49Å; L191-G194 CarbonylContact O-C 3.56Å; L191-G194 WeakPolarHBondContact O-CA 3.44Å; L191-G194 PolarHBondContact O-N 3.48Å; L192-G194 PolarHBondContact O-N 2.95Å; G194-T197 PolarHBondContact O-N 3.3Å; G194-C198 WeakPolarHBondContact O-CB 3.37Å; G194-C198 PolarHBondContact O-N 2.75Å; G194-C198 PolarHBondContact O-SG 3.5Å; G194-C198 VanDerWaalsContact O-SG 3.34Å |
| 195 | V | 92.7 | Very high | 90 | Very high | 43 Ų | 43 | 30.2 Ų | 30.2 | 26% | 0.261 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 175 | 170 | 0 | 0 | 0 | 0 | 110.5 | D14 L18 L191 L192 T197 C198 G199 | D14-V195 HydrophobicContact CB-CG1 4.47Å; L18-V195 HydrophobicContact CB-CG1 4.05Å; L18-V195 HydrophobicContact CD1-CG1 4.28Å; L191-V195 WeakPolarHBondContact O-CG2 3.11Å; L191-V195 PolarHBondContact O-N 3.08Å; L192-V195 PolarHBondContact O-N 3.01Å; L192-V195 VanDerWaalsContact O-N 3.14Å; V195-T197 PolarHBondContact O-N 2.87Å; V195-C198 PolarHBondContact O-N 3.36Å; V195-G199 PolarHBondContact O-N 2.83Å |
| 196 | I | 92.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.3 | -51.9 | 176.7 | -73.5 | 169 | 0 | 0 | 0 | 110.2 | A17 F21 L149 L192 C198 G199 M200 | A17-I196 HydrophobicContact CB-CD1 4.27Å; A17-I196 HydrophobicContact CB-CG1 3.88Å; F21-I196 HydrophobicContact CB-CG2 4.31Å; F21-I196 HydrophobicContact CD1-CG2 3.36Å; F21-I196 HydrophobicContact CD2-CD1 4.34Å; F21-I196 HydrophobicContact CD2-CG1 4.03Å; F21-I196 HydrophobicContact CD2-CG2 4.15Å; F21-I196 HydrophobicContact CE1-CG2 3.53Å; F21-I196 HydrophobicContact CE2-CD1 3.89Å; F21-I196 HydrophobicContact CE2-CG1 4.09Å; F21-I196 HydrophobicContact CE2-CG2 4.29Å; F21-I196 HydrophobicContact CG-CB 4.49Å; F21-I196 HydrophobicContact CG-CG1 4.33Å; F21-I196 HydrophobicContact CG-CG2 3.68Å; F21-I196 HydrophobicContact CZ-CD1 4.08Å; F21-I196 HydrophobicContact CZ-CG1 4.48Å; F21-I196 HydrophobicContact CZ-CG2 4.01Å; L149-I196 HydrophobicContact CD1-CD1 4.11Å; L192-I196 HydrophobicContact CD1-CD1 4.2Å; L192-I196 HydrophobicContact CD1-CG1 4.48Å; L192-I196 HydrophobicContact CD2-CD1 4.43Å; L192-I196 HydrophobicContact CG-CD1 3.94Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.19Å; I196-C198 PolarHBondContact O-N 3.46Å; I196-G199 WeakPolarHBondContact O-CA 3.41Å; I196-G199 PolarHBondContact O-N 3.31Å; I196-G199 VanDerWaalsContact O-N 3.16Å; I196-M200 HydrophobicContact CG2-CE 3.97Å; I196-M200 HydrophobicContact CG2-SD 4.41Å; I196-M200 WeakPolarHBondContact O-CG 3.45Å; I196-M200 PolarHBondContact O-N 3.4Å |
| 197 | T | 91.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | -176.6 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | D193 G194 V195 G199 M200 A201 D349 T353 | D193-T197 VanDerWaalsContact O-CB 3.32Å; D193-T197 WeakPolarHBondContact O-CB 3.36Å; D193-T197 PolarHBondContact O-N 3.3Å; D193-T197 PolarHBondContact O-OG1 3.43Å; G194-T197 PolarHBondContact O-N 3.3Å; V195-T197 PolarHBondContact O-N 2.87Å; T197-G199 VanDerWaalsContact C-N 3.3Å; T197-G199 PolarHBondContact O-N 2.87Å; T197-M200 PolarHBondContact O-N 3.42Å; T197-A201 VanDerWaalsContact O-CB 3.27Å; T197-A201 WeakPolarHBondContact O-CB 3.33Å; T197-A201 PolarHBondContact O-N 2.87Å; T197-D349 HydrophobicContact CG2-CB 4.01Å; T197-T353 WeakPolarHBondContact CB-OG1 3.38Å; T197-T353 WeakPolarHBondContact CG2-OG1 3.46Å |
| 198 | C | 94.1 | Very high | 92.1 | Very high | 47 Ų | 47 | 26.5 Ų | 26.5 | 32% | 0.318 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.9 | -39 | 172.9 | -76.1 | 0 | 0 | 0 | 0 | 111.9 | G194 V195 I196 A201 F202 | G194-C198 WeakPolarHBondContact O-CB 3.37Å; G194-C198 PolarHBondContact O-N 2.75Å; G194-C198 PolarHBondContact O-SG 3.5Å; G194-C198 VanDerWaalsContact O-SG 3.34Å; V195-C198 PolarHBondContact O-N 3.36Å; I196-C198 PolarHBondContact O-N 3.46Å; C198-A201 PolarHBondContact O-N 3.35Å; C198-F202 WeakPolarHBondContact O-CB 3.36Å; C198-F202 PolarHBondContact O-N 3.06Å |
| 199 | G | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -52.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L18 V22 V195 I196 T197 A201 F202 A203 | L18-G199 VanDerWaalsContact CD1-CA 3.45Å; V22-G199 WeakPolarHBondContact CG2-O 3.49Å; V195-G199 PolarHBondContact O-N 2.83Å; I196-G199 WeakPolarHBondContact O-CA 3.41Å; I196-G199 PolarHBondContact O-N 3.31Å; I196-G199 VanDerWaalsContact O-N 3.16Å; T197-G199 VanDerWaalsContact C-N 3.3Å; T197-G199 PolarHBondContact O-N 2.87Å; G199-A201 VanDerWaalsContact C-N 3.27Å; G199-A201 PolarHBondContact O-N 2.72Å; G199-F202 PolarHBondContact O-N 2.97Å; G199-A203 WeakPolarHBondContact O-CB 3.4Å; G199-A203 PolarHBondContact O-N 3.08Å |
| 200 | M | 93.7 | Very high | 93.1 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 23% | 0.232 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.7 | -62.3 | -167.5 | -68 | 0 | 0 | 111.9 | F21 S25 I196 T197 A203 N204 | F21-M200 HydrophobicContact CB-CG 4.13Å; F21-M200 HydrophobicContact CD1-CG 4.11Å; F21-M200 HydrophobicContact CD1-SD 3.84Å; F21-M200 HydrophobicContact CE1-SD 4.48Å; S25-M200 WeakPolarHBondContact OG-CG 3.41Å; I196-M200 HydrophobicContact CG2-CE 3.97Å; I196-M200 HydrophobicContact CG2-SD 4.41Å; I196-M200 WeakPolarHBondContact O-CG 3.45Å; I196-M200 PolarHBondContact O-N 3.4Å; T197-M200 PolarHBondContact O-N 3.42Å; M200-A203 WeakPolarHBondContact O-CB 3.41Å; M200-A203 PolarHBondContact O-N 3.43Å; M200-N204 VanDerWaalsContact O-CG 3.29Å; M200-N204 PolarHBondContact O-N 3.35Å; M200-N204 PolarHBondContact O-ND2 3.29Å |
| 201 | A | 94 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T197 C198 G199 A203 N204 A205 G346 D349 V350 | T197-A201 VanDerWaalsContact O-CB 3.27Å; T197-A201 WeakPolarHBondContact O-CB 3.33Å; T197-A201 PolarHBondContact O-N 2.87Å; C198-A201 PolarHBondContact O-N 3.35Å; G199-A201 VanDerWaalsContact C-N 3.27Å; G199-A201 PolarHBondContact O-N 2.72Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A201-N204 PolarHBondContact O-N 3.09Å; A201-A205 PolarHBondContact O-N 2.97Å; A201-A205 VanDerWaalsContact O-N 3.1Å; A201-G346 WeakPolarHBondContact CB-O 3.49Å; A201-G346 WeakPolarHBondContact O-CA 3.34Å; A201-D349 HydrophobicContact CB-CB 3.88Å; A201-V350 HydrophobicContact CB-CG2 3.6Å |
| 202 | F | 95.9 | Very high | 93.7 | Very high | 106 Ų | 106 | 27.4 Ų | 27.4 | 47% | 0.465 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 172.2 | 170.2 | -102.9 | 0 | 0 | 0 | 111.1 | V22 C198 G199 N204 A205 L206 F226 | V22-F202 HydrophobicContact CG1-CD1 4.34Å; V22-F202 HydrophobicContact CG2-CD1 4.46Å; C198-F202 WeakPolarHBondContact O-CB 3.36Å; C198-F202 PolarHBondContact O-N 3.06Å; G199-F202 PolarHBondContact O-N 2.97Å; F202-N204 PolarHBondContact O-N 3.46Å; F202-A205 PolarHBondContact O-N 2.99Å; F202-L206 HydrophobicContact CE1-CD2 3.84Å; F202-L206 HydrophobicContact CZ-CD2 3.72Å; F202-L206 WeakPolarHBondContact O-CB 3.26Å; F202-L206 PolarHBondContact O-N 3.03Å; F202-F226 HydrophobicContact CE1-CE1 4.11Å; F202-F226 AromaticContact CE1-CZ 3.78Å; F202-F226 HydrophobicContact CE1-CZ 3.78Å; F202-F226 HydrophobicContact CZ-CZ 4.3Å |
| 203 | A | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V22 M26 G199 M200 A201 T207 | V22-A203 HydrophobicContact CB-CB 4.45Å; V22-A203 HydrophobicContact CG1-CB 4.1Å; V22-A203 WeakPolarHBondContact O-CB 3.35Å; M26-A203 HydrophobicContact CG-CB 3.75Å; G199-A203 WeakPolarHBondContact O-CB 3.4Å; G199-A203 PolarHBondContact O-N 3.08Å; M200-A203 WeakPolarHBondContact O-CB 3.41Å; M200-A203 PolarHBondContact O-N 3.43Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A203-T207 WeakPolarHBondContact O-CB 3.31Å; A203-T207 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-OG1 2.86Å |
| 204 | N | 93.7 | Very high | 94 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.134 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 179.3 | -71.4 | -24 | 0 | 0 | 0 | 112.1 | F29 M200 A201 F202 G208 G342 | F29-N204 HydrophobicContact CD2-CB 4.25Å; F29-N204 HydrophobicContact CE2-CB 4.44Å; M200-N204 VanDerWaalsContact O-CG 3.29Å; M200-N204 PolarHBondContact O-N 3.35Å; M200-N204 PolarHBondContact O-ND2 3.29Å; A201-N204 PolarHBondContact O-N 3.09Å; F202-N204 PolarHBondContact O-N 3.46Å; N204-G208 PolarHBondContact O-N 3.09Å; N204-G342 VanDerWaalsContact O-CA 3.28Å; N204-G342 WeakPolarHBondContact O-CA 3.39Å |
| 205 | A | 95.6 | Very high | 94 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A201 F202 F209 G342 | A201-A205 PolarHBondContact O-N 2.97Å; A201-A205 VanDerWaalsContact O-N 3.1Å; F202-A205 PolarHBondContact O-N 2.99Å; A205-F209 WeakPolarHBondContact O-CB 3.47Å; A205-F209 PolarHBondContact O-N 3.13Å; A205-F209 VanDerWaalsContact O-N 3.16Å; A205-G342 WeakPolarHBondContact CA-O 3.48Å; A205-G342 PolarHBondContact N-O 2.92Å |
| 206 | L | 96.7 | Very high | 94.1 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 178.3 | -179.5 | 63.7 | 0 | 0 | 0 | 111.2 | M26 F202 F209 M210 F226 | M26-L206 HydrophobicContact CE-CD2 4.4Å; M26-L206 HydrophobicContact SD-CD2 4.49Å; F202-L206 HydrophobicContact CE1-CD2 3.84Å; F202-L206 HydrophobicContact CZ-CD2 3.72Å; F202-L206 WeakPolarHBondContact O-CB 3.26Å; F202-L206 PolarHBondContact O-N 3.03Å; L206-F209 PolarHBondContact O-N 3.21Å; L206-M210 HydrophobicContact CD1-CG 4.04Å; L206-M210 HydrophobicContact CD1-SD 4.15Å; L206-M210 HydrophobicContact CD2-SD 4.5Å; L206-M210 HydrophobicContact CG-CG 4.25Å; L206-M210 HydrophobicContact CG-SD 4.05Å; L206-M210 WeakPolarHBondContact O-CB 3.4Å; L206-M210 VanDerWaalsContact O-CG 3.27Å; L206-M210 WeakPolarHBondContact O-CG 3.27Å; L206-M210 PolarHBondContact O-N 3.48Å; L206-F226 HydrophobicContact CD2-CE2 3.82Å; L206-F226 HydrophobicContact CD2-CZ 4.11Å |
| 207 | T | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | M26 F29 I30 A203 F209 M210 I211 T219 | M26-T207 WeakPolarHBondContact CA-OG1 3.45Å; M26-T207 WeakPolarHBondContact CB-OG1 3.48Å; M26-T207 WeakPolarHBondContact CE-OG1 3.33Å; M26-T207 VanDerWaalsContact CG-OG1 3.23Å; M26-T207 WeakPolarHBondContact CG-OG1 3.38Å; F29-T207 HydrophobicContact CB-CG2 3.96Å; F29-T207 HydrophobicContact CD1-CG2 3.57Å; F29-T207 HydrophobicContact CE1-CG2 4.42Å; F29-T207 HydrophobicContact CG-CG2 4.02Å; I30-T207 HydrophobicContact CD1-CG2 4.46Å; I30-T207 HydrophobicContact CG1-CG2 3.68Å; A203-T207 WeakPolarHBondContact O-CB 3.31Å; A203-T207 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-OG1 2.86Å; T207-F209 VanDerWaalsContact C-N 3.33Å; T207-F209 PolarHBondContact O-N 3.48Å; T207-M210 PolarHBondContact O-N 2.98Å; T207-I211 HydrophobicContact CG2-CD1 3.77Å; T207-I211 HydrophobicContact CG2-CG1 4.23Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 2.87Å; T207-T219 HydrophobicContact CG2-CG2 3.76Å |
| 208 | G | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N204 Q212 A338 Q339 | N204-G208 PolarHBondContact O-N 3.09Å; G208-Q212 PolarHBondContact O-N 3.38Å; G208-A338 VanDerWaalsContact CA-O 3.25Å; G208-A338 WeakPolarHBondContact CA-O 3.33Å; G208-Q339 PolarHBondContact O-N 2.89Å |
| 209 | F | 95.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.6 | 176.8 | -93.2 | 0 | 0 | 0 | 112.3 | A205 L206 T207 Q212 H213 Y214 | A205-F209 WeakPolarHBondContact O-CB 3.47Å; A205-F209 PolarHBondContact O-N 3.13Å; A205-F209 VanDerWaalsContact O-N 3.16Å; L206-F209 PolarHBondContact O-N 3.21Å; T207-F209 VanDerWaalsContact C-N 3.33Å; T207-F209 PolarHBondContact O-N 3.48Å; F209-Q212 PolarHBondContact O-N 3.46Å; F209-H213 AromaticContact CD2-CD2 3.51Å; F209-H213 AromaticContact CD2-NE2 3.81Å; F209-H213 AromaticContact CE2-CD2 3.25Å; F209-H213 WeakPolarHBondContact CE2-CD2 3.4Å; F209-H213 AromaticContact CE2-NE2 3.4Å; F209-H213 WeakPolarHBondContact CE2-NE2 3.42Å; F209-H213 AromaticContact CG-CD2 3.99Å; F209-H213 AromaticContact CZ-CD2 3.52Å; F209-H213 PolarHBondContact O-CD2 3.01Å; F209-H213 PolarHBondContact O-N 2.97Å; F209-H213 VanDerWaalsContact O-N 3.12Å; F209-Y214 HydrophobicContact CE1-CE2 4.15Å |
| 210 | M | 95.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.069 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | -176.8 | -76 | -166.5 | 76.3 | 0 | 0 | 112.9 | M26 L206 T207 Q212 H213 Y214 R215 I218 T219 T222 | M26-M210 HydrophobicContact CE-SD 4.4Å; L206-M210 HydrophobicContact CD1-CG 4.04Å; L206-M210 HydrophobicContact CD1-SD 4.15Å; L206-M210 HydrophobicContact CD2-SD 4.5Å; L206-M210 HydrophobicContact CG-CG 4.25Å; L206-M210 HydrophobicContact CG-SD 4.05Å; L206-M210 WeakPolarHBondContact O-CB 3.4Å; L206-M210 VanDerWaalsContact O-CG 3.27Å; L206-M210 WeakPolarHBondContact O-CG 3.27Å; L206-M210 PolarHBondContact O-N 3.48Å; T207-M210 PolarHBondContact O-N 2.98Å; M210-Q212 VanDerWaalsContact C-N 3.29Å; M210-Q212 PolarHBondContact O-N 3.44Å; M210-H213 PolarHBondContact O-N 3.46Å; M210-Y214 HydrophobicContact CG-CD2 4.49Å; M210-Y214 CarbonylContact O-C 3.29Å; M210-Y214 WeakPolarHBondContact O-CA 3.31Å; M210-Y214 WeakPolarHBondContact O-CB 3.31Å; M210-Y214 PolarHBondContact O-N 3.14Å; M210-R215 PolarHBondContact O-N 3.37Å; M210-I218 HydrophobicContact CE-CG2 3.81Å; M210-T219 VanDerWaalsContact C-OG1 3.27Å; M210-T219 HydrophobicContact CB-CG2 3.78Å; M210-T219 WeakPolarHBondContact CB-OG1 3.29Å; M210-T219 PolarHBondContact O-OG1 3.01Å; M210-T219 HydrophobicContact SD-CG2 4.46Å; M210-T222 HydrophobicContact CE-CG2 3.38Å; M210-T222 VanDerWaalsContact CE-OG1 3.29Å; M210-T222 WeakPolarHBondContact CE-OG1 3.04Å; M210-T222 HydrophobicContact SD-CG2 3.94Å; M210-T222 PolarHBondContact SD-OG1 3.23Å |
| 211 | I | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.8 | -71.4 | 173.3 | 0 | 0 | 0 | 110.2 | F29 I30 Q33 Y37 W48 T207 R215 F216 T219 A338 | F29-I211 HydrophobicContact CD1-CD1 3.95Å; F29-I211 HydrophobicContact CE1-CD1 4.16Å; I30-I211 HydrophobicContact CG1-CD1 4.45Å; Q33-I211 HydrophobicContact CB-CD1 3.85Å; Q33-I211 HydrophobicContact CG-CD1 3.87Å; Y37-I211 HydrophobicContact CE2-CG2 4.23Å; W48-I211 HydrophobicContact CH2-CG2 4.26Å; W48-I211 WeakPolarHBondContact CH2-O 3.43Å; T207-I211 HydrophobicContact CG2-CD1 3.77Å; T207-I211 HydrophobicContact CG2-CG1 4.23Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 2.87Å; I211-R215 VanDerWaalsContact O-CA 3.3Å; I211-R215 WeakPolarHBondContact O-CA 3.34Å; I211-R215 PolarHBondContact O-N 3.36Å; I211-F216 HydrophobicContact CD1-CD1 4.49Å; I211-F216 HydrophobicContact CD1-CE1 3.87Å; I211-F216 HydrophobicContact CD1-CZ 4.36Å; I211-F216 HydrophobicContact CG1-CD1 4.46Å; I211-F216 HydrophobicContact CG1-CE1 4.19Å; I211-F216 HydrophobicContact CG2-CE1 4.23Å; I211-F216 HydrophobicContact CG2-CE2 4.11Å; I211-F216 HydrophobicContact CG2-CZ 3.79Å; I211-T219 HydrophobicContact CG1-CG2 4.03Å; I211-T219 PolarHBondContact N-OG1 3.33Å; I211-A338 HydrophobicContact CB-CB 4.45Å; I211-A338 HydrophobicContact CG2-CB 4.15Å |
| 212 | Q | 90.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 51 Ų | 51 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | -176.8 | -170.4 | 62.2 | 18.5 | 0 | 0 | 112.7 | G208 F209 M210 Q339 | G208-Q212 PolarHBondContact O-N 3.38Å; F209-Q212 PolarHBondContact O-N 3.46Å; M210-Q212 VanDerWaalsContact C-N 3.29Å; M210-Q212 PolarHBondContact O-N 3.44Å; Q212-Q339 HydrophobicContact CB-CB 4.13Å; Q212-Q339 HydrophobicContact CG-CB 4.35Å |
| 213 | H | 92 | Very high | 94.5 | Very high | 102 Ų | 102 | 45.9 Ų | 45.9 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -96.3 | -36.9 | -174.4 | -71 | -67.4 | 0 | 0 | 0 | 114.6 | F209 M210 | F209-H213 AromaticContact CD2-CD2 3.51Å; F209-H213 AromaticContact CD2-NE2 3.81Å; F209-H213 AromaticContact CE2-CD2 3.25Å; F209-H213 WeakPolarHBondContact CE2-CD2 3.4Å; F209-H213 AromaticContact CE2-NE2 3.4Å; F209-H213 WeakPolarHBondContact CE2-NE2 3.42Å; F209-H213 AromaticContact CG-CD2 3.99Å; F209-H213 AromaticContact CZ-CD2 3.52Å; F209-H213 PolarHBondContact O-CD2 3.01Å; F209-H213 PolarHBondContact O-N 2.97Å; F209-H213 VanDerWaalsContact O-N 3.12Å; M210-H213 PolarHBondContact O-N 3.46Å |
| 214 | Y | 92.2 | Very high | 94.5 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 50% | 0.498 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -116.5 | 1.4 | -170.8 | -61.1 | -71.5 | 0 | 0 | 0 | 113.8 | F209 M210 I218 | F209-Y214 HydrophobicContact CE1-CE2 4.15Å; M210-Y214 HydrophobicContact CG-CD2 4.49Å; M210-Y214 CarbonylContact O-C 3.29Å; M210-Y214 WeakPolarHBondContact O-CA 3.31Å; M210-Y214 WeakPolarHBondContact O-CB 3.31Å; M210-Y214 PolarHBondContact O-N 3.14Å; Y214-I218 HydrophobicContact CD1-CD1 4.14Å; Y214-I218 HydrophobicContact CG-CD1 4.45Å; Y214-I218 HydrophobicContact CG-CG2 4.39Å |
| 215 | R | 91.8 | Very high | 94.6 | Very high | 117 Ų | 117 | 50.1 Ų | 50.1 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | 62.9 | -178 | -177.5 | -49.4 | -58.1 | -175.7 | 123 | -9.3 | 113 | M210 I211 Y217 T219 | M210-R215 PolarHBondContact O-N 3.37Å; I211-R215 VanDerWaalsContact O-CA 3.3Å; I211-R215 WeakPolarHBondContact O-CA 3.34Å; I211-R215 PolarHBondContact O-N 3.36Å; R215-Y217 PolarHBondContact O-N 3.13Å; R215-T219 PolarHBondContact O-OG1 2.88Å |
| 216 | F | 93.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 13% | 0.127 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | -173.5 | -75.8 | -79 | 0 | 0 | 0 | 114.3 | I30 Q33 F34 Y37 W48 V119 I211 T219 M220 | I30-F216 HydrophobicContact CG2-CD1 4.14Å; Q33-F216 HydrophobicContact CB-CE1 3.95Å; Q33-F216 HydrophobicContact CB-CZ 3.92Å; F34-F216 HydrophobicContact CB-CD1 4.35Å; F34-F216 HydrophobicContact CB-CE1 3.98Å; F34-F216 HydrophobicContact CB-CZ 4.48Å; F34-F216 HydrophobicContact CD2-CD1 4.38Å; F34-F216 HydrophobicContact CD2-CG 4.47Å; Y37-F216 AromaticContact CD2-CE2 3.73Å; Y37-F216 HydrophobicContact CD2-CE2 3.73Å; Y37-F216 AromaticContact CD2-CZ 3.49Å; Y37-F216 HydrophobicContact CD2-CZ 3.49Å; Y37-F216 VanDerWaalsContact CD2-CZ 3.49Å; Y37-F216 HydrophobicContact CE2-CE2 4.28Å; Y37-F216 AromaticContact CE2-CZ 3.94Å; Y37-F216 HydrophobicContact CE2-CZ 3.94Å; Y37-F216 HydrophobicContact CG-CE2 4.37Å; Y37-F216 HydrophobicContact CG-CZ 4.47Å; W48-F216 HydrophobicContact CZ2-CE2 4.45Å; V119-F216 HydrophobicContact CG1-CB 3.73Å; I211-F216 HydrophobicContact CD1-CD1 4.49Å; I211-F216 HydrophobicContact CD1-CE1 3.87Å; I211-F216 HydrophobicContact CD1-CZ 4.36Å; I211-F216 HydrophobicContact CG1-CD1 4.46Å; I211-F216 HydrophobicContact CG1-CE1 4.19Å; I211-F216 HydrophobicContact CG2-CE1 4.23Å; I211-F216 HydrophobicContact CG2-CE2 4.11Å; I211-F216 HydrophobicContact CG2-CZ 3.79Å; F216-T219 PolarHBondContact O-N 2.87Å; F216-M220 PolarHBondContact O-N 3.39Å |
| 217 | Y | 92.7 | Very high | 94.4 | Very high | 139 Ų | 139 | 50.6 Ų | 50.6 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -55.1 | -174 | -178.1 | -93.9 | 0 | 0 | 0 | 112.8 | F120 R215 T219 M220 L221 | F120-Y217 AromaticContact CD1-CD2 3.43Å; F120-Y217 HydrophobicContact CD1-CD2 3.43Å; F120-Y217 VanDerWaalsContact CD1-CD2 3.43Å; F120-Y217 AromaticContact CD1-CE2 3.71Å; F120-Y217 HydrophobicContact CD1-CE2 3.71Å; F120-Y217 HydrophobicContact CD1-CG 4.46Å; F120-Y217 HydrophobicContact CD2-CE2 4.36Å; F120-Y217 AromaticContact CE1-CD2 3.41Å; F120-Y217 HydrophobicContact CE1-CD2 3.41Å; F120-Y217 VanDerWaalsContact CE1-CD2 3.41Å; F120-Y217 AromaticContact CE1-CE2 3.58Å; F120-Y217 HydrophobicContact CE1-CE2 3.58Å; F120-Y217 HydrophobicContact CE1-CG 4.17Å; F120-Y217 HydrophobicContact CE2-CE2 4.25Å; F120-Y217 HydrophobicContact CG-CD2 4.21Å; F120-Y217 HydrophobicContact CG-CE2 4.12Å; F120-Y217 HydrophobicContact CZ-CD2 4.2Å; F120-Y217 AromaticContact CZ-CE2 3.9Å; F120-Y217 HydrophobicContact CZ-CE2 3.9Å; R215-Y217 PolarHBondContact O-N 3.13Å; Y217-T219 VanDerWaalsContact C-N 3.3Å; Y217-T219 PolarHBondContact O-N 3.49Å; Y217-M220 PolarHBondContact O-N 3.29Å; Y217-L221 HydrophobicContact CD1-CD1 4.18Å; Y217-L221 HydrophobicContact CE1-CD1 3.73Å; Y217-L221 HydrophobicContact CE2-CD1 4.29Å; Y217-L221 WeakPolarHBondContact O-CD1 3.5Å; Y217-L221 PolarHBondContact O-N 3.29Å |
| 218 | I | 94.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | -178.3 | -63.1 | 176.3 | 0 | 0 | 0 | 110.4 | M210 Y214 M220 L221 T222 | M210-I218 HydrophobicContact CE-CG2 3.81Å; Y214-I218 HydrophobicContact CD1-CD1 4.14Å; Y214-I218 HydrophobicContact CG-CD1 4.45Å; Y214-I218 HydrophobicContact CG-CG2 4.39Å; I218-M220 PolarHBondContact O-N 3.18Å; I218-L221 PolarHBondContact O-N 2.85Å; I218-T222 PolarHBondContact O-N 3.41Å; I218-T222 VanDerWaalsContact O-N 3.17Å; I218-T222 PolarHBondContact O-OG1 3.38Å |
| 219 | T | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 176.8 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | M26 I30 T207 M210 I211 R215 F216 Y217 T222 C223 | M26-T219 HydrophobicContact CE-CG2 4.29Å; I30-T219 HydrophobicContact CD1-CG2 3.87Å; I30-T219 HydrophobicContact CG1-CG2 3.93Å; T207-T219 HydrophobicContact CG2-CG2 3.76Å; M210-T219 VanDerWaalsContact C-OG1 3.27Å; M210-T219 HydrophobicContact CB-CG2 3.78Å; M210-T219 WeakPolarHBondContact CB-OG1 3.29Å; M210-T219 PolarHBondContact O-OG1 3.01Å; M210-T219 HydrophobicContact SD-CG2 4.46Å; I211-T219 HydrophobicContact CG1-CG2 4.03Å; I211-T219 PolarHBondContact N-OG1 3.33Å; R215-T219 PolarHBondContact O-OG1 2.88Å; F216-T219 PolarHBondContact O-N 2.87Å; Y217-T219 VanDerWaalsContact C-N 3.3Å; Y217-T219 PolarHBondContact O-N 3.49Å; T219-T222 PolarHBondContact O-OG1 3.23Å; T219-C223 PolarHBondContact O-N 2.9Å; T219-C223 VanDerWaalsContact O-N 3.1Å |
| 220 | M | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75 | -36.1 | 177.9 | -165 | 53.1 | 148.5 | 0 | 0 | 112.7 | I30 I112 V115 C116 F120 F216 Y217 I218 T222 C223 I224 | I30-M220 HydrophobicContact CD1-SD 3.69Å; I30-M220 HydrophobicContact CG2-SD 4.38Å; I112-M220 WeakPolarHBondContact O-CE 3.43Å; V115-M220 HydrophobicContact CB-CE 3.43Å; V115-M220 VanDerWaalsContact CB-CE 3.43Å; V115-M220 HydrophobicContact CG1-CE 3.32Å; C116-M220 HydrophobicContact CB-CE 3.71Å; C116-M220 HydrophobicContact CB-CG 3.93Å; F120-M220 HydrophobicContact CE1-CB 3.9Å; F120-M220 HydrophobicContact CE1-CG 4.17Å; F120-M220 HydrophobicContact CZ-CB 4.43Å; F120-M220 HydrophobicContact CZ-CG 4.45Å; F216-M220 PolarHBondContact O-N 3.39Å; Y217-M220 PolarHBondContact O-N 3.29Å; I218-M220 PolarHBondContact O-N 3.18Å; M220-T222 VanDerWaalsContact C-N 3.31Å; M220-T222 PolarHBondContact O-N 3.47Å; M220-C223 WeakPolarHBondContact O-CB 3.3Å; M220-C223 PolarHBondContact O-N 3.09Å; M220-C223 HydrophobicContact SD-CB 4.03Å; M220-I224 WeakPolarHBondContact O-CG1 3.38Å; M220-I224 PolarHBondContact O-N 3.48Å; M220-I224 VanDerWaalsContact O-N 3.1Å |
| 221 | L | 95.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 56 Ų | 56 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 172.6 | -96.4 | 82.4 | 0 | 0 | 0 | 111.6 | F120 Y217 I218 I224 A225 | F120-L221 HydrophobicContact CE1-CD1 3.99Å; F120-L221 HydrophobicContact CE2-CD1 4.42Å; F120-L221 HydrophobicContact CZ-CD1 3.46Å; F120-L221 VanDerWaalsContact CZ-CD1 3.46Å; Y217-L221 HydrophobicContact CD1-CD1 4.18Å; Y217-L221 HydrophobicContact CE1-CD1 3.73Å; Y217-L221 HydrophobicContact CE2-CD1 4.29Å; Y217-L221 WeakPolarHBondContact O-CD1 3.5Å; Y217-L221 PolarHBondContact O-N 3.29Å; I218-L221 PolarHBondContact O-N 2.85Å; L221-I224 PolarHBondContact O-N 3.17Å; L221-A225 PolarHBondContact O-N 2.71Å |
| 222 | T | 95.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | M210 I218 T219 M220 I224 A225 F226 | M210-T222 HydrophobicContact CE-CG2 3.38Å; M210-T222 VanDerWaalsContact CE-OG1 3.29Å; M210-T222 WeakPolarHBondContact CE-OG1 3.04Å; M210-T222 HydrophobicContact SD-CG2 3.94Å; M210-T222 PolarHBondContact SD-OG1 3.23Å; I218-T222 PolarHBondContact O-N 3.41Å; I218-T222 VanDerWaalsContact O-N 3.17Å; I218-T222 PolarHBondContact O-OG1 3.38Å; T219-T222 PolarHBondContact O-OG1 3.23Å; M220-T222 VanDerWaalsContact C-N 3.31Å; M220-T222 PolarHBondContact O-N 3.47Å; T222-I224 VanDerWaalsContact C-N 3.31Å; T222-I224 PolarHBondContact O-N 3.24Å; T222-A225 WeakPolarHBondContact O-CB 3.34Å; T222-A225 PolarHBondContact O-N 3.13Å; T222-A225 VanDerWaalsContact O-N 3.13Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 3.17Å; T222-F226 VanDerWaalsContact O-N 3.1Å |
| 223 | C | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.7 | -46.6 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | S23 M26 I30 T219 M220 F226 | S23-C223 PolarHBondContact O-SG 3.24Å; S23-C223 PolarHBondContact OG-O 3.09Å; M26-C223 HydrophobicContact CB-CB 4.06Å; M26-C223 HydrophobicContact CE-CB 4.4Å; M26-C223 HydrophobicContact SD-CB 4.49Å; I30-C223 HydrophobicContact CD1-CB 3.94Å; T219-C223 PolarHBondContact O-N 2.9Å; T219-C223 VanDerWaalsContact O-N 3.1Å; M220-C223 WeakPolarHBondContact O-CB 3.3Å; M220-C223 PolarHBondContact O-N 3.09Å; M220-C223 HydrophobicContact SD-CB 4.03Å; C223-F226 PolarHBondContact O-N 3.45Å |
| 224 | I | 95.4 | Very high | 93.5 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.1 | -65.2 | 166.6 | 0 | 0 | 0 | 111.1 | I112 C116 M220 L221 T222 F226 L227 | I112-I224 HydrophobicContact CG2-CG1 3.95Å; C116-I224 HydrophobicContact CB-CD1 4.25Å; M220-I224 WeakPolarHBondContact O-CG1 3.38Å; M220-I224 PolarHBondContact O-N 3.48Å; M220-I224 VanDerWaalsContact O-N 3.1Å; L221-I224 PolarHBondContact O-N 3.17Å; T222-I224 VanDerWaalsContact C-N 3.31Å; T222-I224 PolarHBondContact O-N 3.24Å; I224-F226 VanDerWaalsContact C-N 3.26Å; I224-F226 PolarHBondContact O-N 3.34Å; I224-L227 VanDerWaalsContact O-CB 3.3Å; I224-L227 WeakPolarHBondContact O-CB 3.39Å; I224-L227 PolarHBondContact O-N 3.28Å |
| 225 | A | 95.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 45% | 0.446 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L221 T222 L227 I228 P229 | L221-A225 PolarHBondContact O-N 2.71Å; T222-A225 WeakPolarHBondContact O-CB 3.34Å; T222-A225 PolarHBondContact O-N 3.13Å; T222-A225 VanDerWaalsContact O-N 3.13Å; A225-L227 VanDerWaalsContact C-N 3.26Å; A225-L227 PolarHBondContact O-N 3.24Å; A225-I228 PolarHBondContact O-N 3.3Å; A225-P229 WeakPolarHBondContact O-CD 3.48Å |
| 226 | F | 95.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.5 | -17.1 | 175.3 | -79.6 | -71.7 | 0 | 0 | 0 | 114.3 | V22 M26 F202 L206 T222 C223 I224 P229 | V22-F226 HydrophobicContact CG1-CB 4.07Å; V22-F226 HydrophobicContact CG1-CD1 3.67Å; V22-F226 HydrophobicContact CG1-CD2 4.14Å; V22-F226 HydrophobicContact CG1-CE1 4.12Å; V22-F226 HydrophobicContact CG1-CG 3.7Å; M26-F226 HydrophobicContact SD-CD2 3.51Å; M26-F226 VanDerWaalsContact SD-CD2 3.51Å; M26-F226 HydrophobicContact SD-CE2 3.9Å; M26-F226 HydrophobicContact SD-CG 4.43Å; F202-F226 HydrophobicContact CE1-CE1 4.11Å; F202-F226 AromaticContact CE1-CZ 3.78Å; F202-F226 HydrophobicContact CE1-CZ 3.78Å; F202-F226 HydrophobicContact CZ-CZ 4.3Å; L206-F226 HydrophobicContact CD2-CE2 3.82Å; L206-F226 HydrophobicContact CD2-CZ 4.11Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 3.17Å; T222-F226 VanDerWaalsContact O-N 3.1Å; C223-F226 PolarHBondContact O-N 3.45Å; I224-F226 VanDerWaalsContact C-N 3.26Å; I224-F226 PolarHBondContact O-N 3.34Å; F226-P229 WeakPolarHBondContact O-CD 3.44Å |
| 227 | L | 94 | Very high | 92.8 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.6 | -31.3 | 174.9 | -172.6 | 66 | 0 | 0 | 0 | 111.8 | A109 I112 I224 A225 S230 | A109-L227 HydrophobicContact CB-CD2 3.72Å; I112-L227 HydrophobicContact CD1-CD1 4Å; I112-L227 HydrophobicContact CD1-CD2 4.08Å; I112-L227 HydrophobicContact CD1-CG 4.46Å; I224-L227 VanDerWaalsContact O-CB 3.3Å; I224-L227 WeakPolarHBondContact O-CB 3.39Å; I224-L227 PolarHBondContact O-N 3.28Å; A225-L227 VanDerWaalsContact C-N 3.26Å; A225-L227 PolarHBondContact O-N 3.24Å; L227-S230 WeakPolarHBondContact CD1-OG 3.49Å; L227-S230 WeakPolarHBondContact O-CB 3.05Å; L227-S230 PolarHBondContact O-N 3.1Å; L227-S230 PolarHBondContact O-OG 3.1Å |
| 228 | I | 93.1 | Very high | 92.3 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.2 | -46.2 | -173.7 | -59.7 | 171 | 0 | 0 | 0 | 112.7 | A225 S230 V231 I232 | A225-I228 PolarHBondContact O-N 3.3Å; I228-S230 PolarHBondContact O-N 3.15Å; I228-V231 PolarHBondContact O-N 2.94Å; I228-I232 HydrophobicContact CG2-CD1 3.92Å; I228-I232 WeakPolarHBondContact O-CG1 3.13Å; I228-I232 PolarHBondContact O-N 3.49Å |
| 229 | P | 92.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 49 Ų | 49 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -32.7 | 177.3 | -24.6 | 34.5 | 0 | 0 | 0 | 113.7 | A225 F226 V231 I232 T233 | A225-P229 WeakPolarHBondContact O-CD 3.48Å; F226-P229 WeakPolarHBondContact O-CD 3.44Å; P229-V231 PolarHBondContact O-N 3.43Å; P229-I232 PolarHBondContact O-N 2.97Å; P229-T233 WeakPolarHBondContact O-CG2 3.32Å; P229-T233 PolarHBondContact O-N 2.92Å; P229-T233 PolarHBondContact O-OG1 3.38Å; P229-T233 VanDerWaalsContact O-OG1 3.07Å |
| 230 | S | 90.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | -179.8 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | L16 S19 L227 I228 I232 T233 L234 | L16-S230 WeakPolarHBondContact CD1-O 3.31Å; S19-S230 VanDerWaalsContact OG-CA 3.3Å; S19-S230 WeakPolarHBondContact OG-CA 3.18Å; S19-S230 WeakPolarHBondContact OG-CB 3.37Å; S19-S230 PolarHBondContact OG-N 2.73Å; L227-S230 WeakPolarHBondContact CD1-OG 3.49Å; L227-S230 WeakPolarHBondContact O-CB 3.05Å; L227-S230 PolarHBondContact O-N 3.1Å; L227-S230 PolarHBondContact O-OG 3.1Å; I228-S230 PolarHBondContact O-N 3.15Å; S230-I232 VanDerWaalsContact C-N 3.34Å; S230-T233 PolarHBondContact O-OG1 3.28Å; S230-T233 VanDerWaalsContact O-OG1 3.11Å; S230-L234 WeakPolarHBondContact O-CB 3.35Å; S230-L234 PolarHBondContact O-N 3.01Å; S230-L234 VanDerWaalsContact O-N 3.08Å |
| 231 | V | 90.6 | Very high | 89.6 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | V105 I228 P229 L234 F235 | V105-V231 HydrophobicContact CG1-CG2 4.45Å; I228-V231 PolarHBondContact O-N 2.94Å; P229-V231 PolarHBondContact O-N 3.43Å; V231-L234 WeakPolarHBondContact O-CB 3.36Å; V231-F235 HydrophobicContact CG1-CE2 4.1Å; V231-F235 WeakPolarHBondContact O-CD2 3.35Å; V231-F235 WeakPolarHBondContact O-CE2 3.49Å |
| 232 | I | 91.4 | Very high | 88 | Confident | 99 Ų | 99 | 47.6 Ų | 47.6 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 177.9 | -63 | 169.9 | 0 | 0 | 0 | 110.9 | I228 P229 S230 L234 F235 | I228-I232 HydrophobicContact CG2-CD1 3.92Å; I228-I232 WeakPolarHBondContact O-CG1 3.13Å; I228-I232 PolarHBondContact O-N 3.49Å; P229-I232 PolarHBondContact O-N 2.97Å; S230-I232 VanDerWaalsContact C-N 3.34Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 3.34Å; I232-F235 PolarHBondContact O-N 3.38Å |
| 233 | T | 90.4 | Very high | 86.3 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.2 | -28.1 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | V15 P229 S230 F235 L236 I237 | V15-T233 HydrophobicContact CB-CG2 4.02Å; V15-T233 HydrophobicContact CG1-CG2 3.53Å; P229-T233 WeakPolarHBondContact O-CG2 3.32Å; P229-T233 PolarHBondContact O-N 2.92Å; P229-T233 PolarHBondContact O-OG1 3.38Å; P229-T233 VanDerWaalsContact O-OG1 3.07Å; S230-T233 PolarHBondContact O-OG1 3.28Å; S230-T233 VanDerWaalsContact O-OG1 3.11Å; T233-F235 PolarHBondContact O-N 2.9Å; T233-L236 WeakPolarHBondContact O-CB 3.46Å; T233-L236 PolarHBondContact O-N 2.92Å; T233-I237 WeakPolarHBondContact O-CG1 3.5Å; T233-I237 PolarHBondContact O-N 3.38Å; T233-I237 VanDerWaalsContact O-N 3.13Å |
| 234 | L | 89.9 | Confident | 84.4 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.9 | -38.1 | 173.6 | -170.4 | 78.3 | 0 | 0 | 0 | 112.2 | K98 L101 G102 S230 V231 I232 L236 | K98-L234 WeakPolarHBondContact CE-O 3.25Å; L101-L234 HydrophobicContact CB-CD1 3.86Å; G102-L234 VanDerWaalsContact CA-CD2 3.46Å; S230-L234 WeakPolarHBondContact O-CB 3.35Å; S230-L234 PolarHBondContact O-N 3.01Å; S230-L234 VanDerWaalsContact O-N 3.08Å; V231-L234 WeakPolarHBondContact O-CB 3.36Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 3.34Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L236 PolarHBondContact O-N 3.46Å |
| 235 | F | 88.1 | Confident | 82.6 | Confident | 149 Ų | 149 | 53.5 Ų | 53.5 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -69.9 | -29.5 | 176.6 | -67.8 | -75.9 | 0 | 0 | 0 | 112.7 | K98 V231 I232 T233 | K98-F235 PolarHBondContact NZ-O 3.16Å; V231-F235 HydrophobicContact CG1-CE2 4.1Å; V231-F235 WeakPolarHBondContact O-CD2 3.35Å; V231-F235 WeakPolarHBondContact O-CE2 3.49Å; I232-F235 PolarHBondContact O-N 3.38Å; T233-F235 PolarHBondContact O-N 2.9Å |
| 236 | L | 87.9 | Confident | 80.5 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -82.9 | -15.7 | -177.6 | -58.6 | 178 | 0 | 0 | 0 | 113.9 | N12 T233 L234 P238 | N12-L236 PolarHBondContact ND2-O 3.48Å; T233-L236 WeakPolarHBondContact O-CB 3.46Å; T233-L236 PolarHBondContact O-N 2.92Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L236 PolarHBondContact O-N 3.46Å; L236-P238 WeakPolarHBondContact O-CD 3.37Å |
| 237 | I | 86.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 124 | 179.4 | -68.9 | 161 | 0 | 0 | 0 | 109.1 | N12 L13 L16 K98 T233 | N12-I237 HydrophobicContact CB-CG1 4Å; L13-I237 HydrophobicContact CD2-CD1 4Å; L13-I237 HydrophobicContact CD2-CG1 4.46Å; L13-I237 HydrophobicContact CD2-CG2 4.35Å; L16-I237 HydrophobicContact CB-CD1 3.99Å; L16-I237 HydrophobicContact CD2-CD1 3.44Å; L16-I237 VanDerWaalsContact CD2-CD1 3.44Å; L16-I237 HydrophobicContact CG-CD1 4.26Å; K98-I237 WeakPolarHBondContact CD-O 3.29Å; K98-I237 WeakPolarHBondContact CE-O 3.49Å; K98-I237 PolarHBondContact NZ-O 2.91Å; K98-I237 VanDerWaalsContact NZ-O 3.08Å; T233-I237 WeakPolarHBondContact O-CG1 3.5Å; T233-I237 PolarHBondContact O-N 3.38Å; T233-I237 VanDerWaalsContact O-N 3.13Å |
| 238 | P | 82.5 | Confident | 76.7 | Confident | 60 Ų | 60 | 62 Ų | 62 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 161.3 | 171.5 | 32.5 | -34.2 | 0 | 0 | 0 | 111 | V9 L236 T240 | V9-P238 HydrophobicContact CG1-CG 4.24Å; V9-P238 HydrophobicContact CG2-CG 3.51Å; L236-P238 WeakPolarHBondContact O-CD 3.37Å; P238-T240 PolarHBondContact O-N 3.49Å |
| 239 | E | 83.5 | Confident | 74.7 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 126.5 | 175.2 | -173.3 | 48.7 | -121.1 | 0 | 0 | 110.4 | G96 R97 K98 S241 T244 | G96-E239 VanDerWaalsContact CA-OE1 3.29Å; G96-E239 WeakPolarHBondContact CA-OE1 3.15Å; R97-E239 PolarHBondContact N-OE1 3.45Å; R97-E239 PolarHBondContact N-OE2 2.95Å; K98-E239 WeakPolarHBondContact CB-OE2 3.32Å; K98-E239 PolarHBondContact N-OE2 2.77Å; E239-S241 WeakPolarHBondContact OE1-CB 3.21Å; E239-S241 PolarHBondContact OE1-N 2.88Å; E239-T244 HydrophobicContact CG-CG2 4.35Å |
| 240 | T | 77.8 | Confident | 72.9 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | trans | -100.7 | -21.2 | -176.5 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | V9 R97 C152 L156 K159 P238 V242 | V9-T240 HydrophobicContact CG1-CG2 4.3Å; R97-T240 WeakPolarHBondContact CB-OG1 3.36Å; R97-T240 WeakPolarHBondContact CG-OG1 3.37Å; C152-T240 PolarHBondContact SG-OG1 3.31Å; L156-T240 HydrophobicContact CD2-CG2 4.22Å; L156-T240 HydrophobicContact CG-CG2 4.34Å; K159-T240 WeakPolarHBondContact CE-O 3.21Å; K159-T240 PolarHBondContact NZ-O 3.1Å; P238-T240 PolarHBondContact O-N 3.49Å; T240-V242 PolarHBondContact O-N 2.9Å | ||
| 241 | S | 69 | Low | 71.2 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.028 | 36% | 0.355 | C | S | . | . | trans | -61.5 | 126 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | E239 I245 | E239-S241 WeakPolarHBondContact OE1-CB 3.21Å; E239-S241 PolarHBondContact OE1-N 2.88Å; S241-I245 WeakPolarHBondContact O-CG1 3.2Å; S241-I245 PolarHBondContact O-N 2.89Å | ||
| 242 | V | 61.3 | Low | 69.5 | Low | 46 Ų | 46 | 71.3 Ų | 71.3 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | -179.8 | 179 | 0 | 0 | 0 | 0 | 111.6 | K159 T240 T244 I245 Q246 | K159-V242 HydrophobicContact CG-CG2 4.47Å; T240-V242 PolarHBondContact O-N 2.9Å; V242-T244 VanDerWaalsContact C-N 3.32Å; V242-T244 PolarHBondContact O-N 3.45Å; V242-I245 PolarHBondContact O-N 3.19Å; V242-Q246 HydrophobicContact CG1-CG 4.49Å; V242-Q246 PolarHBondContact O-N 2.9Å; V242-Q246 VanDerWaalsContact O-N 3.09Å |
| 243 | K | 59.9 | Low | 67.5 | Low | 130 Ų | 130 | 73 Ų | 73 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | -178 | -71.9 | -177.3 | -179.8 | 175.8 | 0 | 112.2 | Q246 V247 | K243-Q246 PolarHBondContact O-N 2.86Å; K243-V247 WeakPolarHBondContact O-CG2 3.12Å; K243-V247 PolarHBondContact O-N 3.07Å |
| 244 | T | 55.7 | Low | 65.5 | Low | 42 Ų | 42 | 77.4 Ų | 77.4 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.2 | -37.4 | -178 | -44.6 | 0 | 0 | 0 | 0 | 111.2 | E239 V242 Q246 V247 E248 | E239-T244 HydrophobicContact CG-CG2 4.35Å; V242-T244 VanDerWaalsContact C-N 3.32Å; V242-T244 PolarHBondContact O-N 3.45Å; T244-Q246 VanDerWaalsContact C-N 3.35Å; T244-Q246 PolarHBondContact O-N 2.93Å; T244-V247 PolarHBondContact O-N 3.38Å; T244-E248 PolarHBondContact O-N 2.9Å |
| 245 | I | 58.2 | Low | 63.6 | Low | 51 Ų | 51 | 80.6 Ų | 80.6 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 176.5 | -65.6 | 167.5 | 0 | 0 | 0 | 111.4 | S241 V242 E248 Q249 | S241-I245 WeakPolarHBondContact O-CG1 3.2Å; S241-I245 PolarHBondContact O-N 2.89Å; V242-I245 PolarHBondContact O-N 3.19Å; I245-E248 PolarHBondContact O-N 3.18Å; I245-Q249 WeakPolarHBondContact O-CG 3.42Å; I245-Q249 PolarHBondContact O-N 3.33Å |
| 246 | Q | 52.1 | Low | 61.8 | Low | 110 Ų | 110 | 77.2 Ų | 77.2 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 176.5 | -73 | -177.3 | -16.3 | 0 | 0 | 112.1 | V242 K243 T244 Q249 I250 | V242-Q246 HydrophobicContact CG1-CG 4.49Å; V242-Q246 PolarHBondContact O-N 2.9Å; V242-Q246 VanDerWaalsContact O-N 3.09Å; K243-Q246 PolarHBondContact O-N 2.86Å; T244-Q246 VanDerWaalsContact C-N 3.35Å; T244-Q246 PolarHBondContact O-N 2.93Å; Q246-Q249 PolarHBondContact O-N 3.45Å; Q246-I250 WeakPolarHBondContact O-CD1 3.48Å; Q246-I250 WeakPolarHBondContact O-CG1 3.17Å; Q246-I250 PolarHBondContact O-N 3.41Å |
| 247 | V | 56.2 | Low | 59.8 | Low | 83 Ų | 83 | 79 Ų | 79 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | K243 T244 Q249 I250 D251 | K243-V247 WeakPolarHBondContact O-CG2 3.12Å; K243-V247 PolarHBondContact O-N 3.07Å; T244-V247 PolarHBondContact O-N 3.38Å; V247-Q249 VanDerWaalsContact C-N 3.33Å; V247-Q249 PolarHBondContact O-N 3.35Å; V247-I250 PolarHBondContact O-N 3.24Å; V247-D251 PolarHBondContact O-N 3.41Å |
| 248 | E | 52.3 | Low | 57.8 | Low | 123 Ų | 123 | 87.2 Ų | 87.2 | 58% | 0.575 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.5 | -35.7 | 178.5 | -163.4 | 172.5 | -169.4 | 0 | 0 | 112.3 | T244 I245 I252 | T244-E248 PolarHBondContact O-N 2.9Å; I245-E248 PolarHBondContact O-N 3.18Å; E248-I252 HydrophobicContact CG-CD1 4.37Å; E248-I252 WeakPolarHBondContact O-CD1 3.32Å; E248-I252 VanDerWaalsContact O-CG1 3.22Å; E248-I252 WeakPolarHBondContact O-CG1 3.28Å; E248-I252 PolarHBondContact O-N 3.07Å |
| 249 | Q | 52.4 | Low | 55.5 | Low | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 173.5 | -75.7 | -176.4 | -55.7 | 0 | 0 | 112.9 | I245 Q246 V247 I252 E253 | I245-Q249 WeakPolarHBondContact O-CG 3.42Å; I245-Q249 PolarHBondContact O-N 3.33Å; Q246-Q249 PolarHBondContact O-N 3.45Å; V247-Q249 VanDerWaalsContact C-N 3.33Å; V247-Q249 PolarHBondContact O-N 3.35Å; Q249-I252 PolarHBondContact O-N 3.44Å; Q249-E253 PolarHBondContact O-N 2.9Å |
| 250 | I | 55.3 | Low | 53.1 | Low | 90 Ų | 90 | 95.7 Ų | 95.7 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 178.7 | -67.9 | 163.4 | 0 | 0 | 0 | 110.9 | Q246 V247 I252 E253 N254 | Q246-I250 WeakPolarHBondContact O-CD1 3.48Å; Q246-I250 WeakPolarHBondContact O-CG1 3.17Å; Q246-I250 PolarHBondContact O-N 3.41Å; V247-I250 PolarHBondContact O-N 3.24Å; I250-I252 VanDerWaalsContact C-N 3.34Å; I250-E253 PolarHBondContact O-N 3.39Å; I250-N254 WeakPolarHBondContact CG2-ND2 3.33Å; I250-N254 WeakPolarHBondContact O-CB 3.49Å; I250-N254 VanDerWaalsContact O-CG 3.3Å; I250-N254 PolarHBondContact O-N 3.38Å; I250-N254 PolarHBondContact O-ND2 2.92Å |
| 251 | D | 54 | Low | 51 | Low | 97 Ų | 97 | 102.9 Ų | 102.9 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.8 | -33.5 | 177.6 | -70.3 | -22 | 0 | 0 | 0 | 111.8 | V247 S255 | V247-D251 PolarHBondContact O-N 3.41Å; D251-S255 WeakPolarHBondContact O-CB 3.43Å; D251-S255 PolarHBondContact O-N 3.49Å |
| 252 | I | 55.3 | Low | 49.5 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.2 | -43.8 | 174.7 | -67.1 | 166.6 | 0 | 0 | 0 | 111.3 | E248 Q249 I250 S255 S256 | E248-I252 HydrophobicContact CG-CD1 4.37Å; E248-I252 WeakPolarHBondContact O-CD1 3.32Å; E248-I252 VanDerWaalsContact O-CG1 3.22Å; E248-I252 WeakPolarHBondContact O-CG1 3.28Å; E248-I252 PolarHBondContact O-N 3.07Å; Q249-I252 PolarHBondContact O-N 3.44Å; I250-I252 VanDerWaalsContact C-N 3.34Å; I252-S255 PolarHBondContact O-N 3.12Å; I252-S256 WeakPolarHBondContact O-CB 3.31Å; I252-S256 PolarHBondContact O-N 3.38Å; I252-S256 PolarHBondContact O-OG 3.4Å |
| 253 | E | 48.9 | Very low | 48.2 | Very low | 134 Ų | 134 | 112.9 Ų | 112.9 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.3 | -46.3 | 176.3 | -84.3 | -179.9 | 162.9 | 0 | 0 | 111.4 | Q249 I250 S255 S256 D257 | Q249-E253 PolarHBondContact O-N 2.9Å; I250-E253 PolarHBondContact O-N 3.39Å; E253-S255 VanDerWaalsContact C-N 3.34Å; E253-S255 PolarHBondContact O-N 3.23Å; E253-S256 PolarHBondContact O-N 3.49Å; E253-D257 PolarHBondContact O-N 3.47Å |
| 254 | N | 47.7 | Very low | 47.1 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68 | -31.7 | 179.4 | -70.3 | -28.3 | 0 | 0 | 0 | 113.1 | I250 S256 | I250-N254 WeakPolarHBondContact CG2-ND2 3.33Å; I250-N254 WeakPolarHBondContact O-CB 3.49Å; I250-N254 VanDerWaalsContact O-CG 3.3Å; I250-N254 PolarHBondContact O-N 3.38Å; I250-N254 PolarHBondContact O-ND2 2.92Å; N254-S256 VanDerWaalsContact C-N 3.35Å |
| 255 | S | 51.1 | Low | 46.1 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.3 | -13.2 | 176.5 | -167.8 | 0 | 0 | 0 | 0 | 113.6 | D251 I252 E253 | D251-S255 WeakPolarHBondContact O-CB 3.43Å; D251-S255 PolarHBondContact O-N 3.49Å; I252-S255 PolarHBondContact O-N 3.12Å; E253-S255 VanDerWaalsContact C-N 3.34Å; E253-S255 PolarHBondContact O-N 3.23Å |
| 256 | S | 49.8 | Very low | 45 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -87.8 | -27.6 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | I252 E253 N254 | I252-S256 WeakPolarHBondContact O-CB 3.31Å; I252-S256 PolarHBondContact O-N 3.38Å; I252-S256 PolarHBondContact O-OG 3.4Å; E253-S256 PolarHBondContact O-N 3.49Å; N254-S256 VanDerWaalsContact C-N 3.35Å |
| 257 | D | 45.8 | Very low | 44.1 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -8.8 | -174.8 | -76.5 | -17.7 | 0 | 0 | 0 | 114.4 | E253 | E253-D257 PolarHBondContact O-N 3.47Š|
| 258 | E | 45.5 | Very low | 43 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 5.9 | 178.9 | -92.4 | -169.9 | 156.2 | 0 | 0 | 115.4 | ||
| 259 | L | 34.8 | Very low | 42 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -124 | 54 | -177 | -149.8 | 82 | 0 | 0 | 0 | 114.4 | ||
| 260 | C | 31.7 | Very low | 41.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 88% | 0.878 | 71% | 0.709 | S | S | * | * | trans | -151.5 | 85.6 | 156.6 | -103.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 261 | I | 35.1 | Very low | 40 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -86.4 | 110.2 | 163.4 | -62.6 | 171.8 | 0 | 0 | 0 | 107.9 | ||||
| 262 | T | 35.9 | Very low | 39 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -162.7 | 108.1 | 136 | -0.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 263 | T | 34.5 | Very low | 37.8 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -41.4 | -177.5 | 165.3 | 38.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 264 | P | 36.1 | Very low | 37 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -144.9 | 157.7 | -44.1 | 38.9 | -22.8 | 0 | 0 | 0 | 113.5 | ||||
| 265 | I | 35.8 | Very low | 36.1 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -143.3 | 105 | 161.8 | -63 | -174.9 | 0 | 0 | 0 | 112 | ||||
| 266 | I | 35.6 | Very low | 35.2 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 62.6 | 112.3 | 130 | -60.1 | 177.5 | 0 | 0 | 0 | 120.4 | ||||
| 267 | H | 33.4 | Very low | 34.2 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 47.7 | 121 | 137.7 | -71.3 | -85.3 | 0 | 0 | 0 | 120.7 | ||||
| 268 | D | 31.4 | Very low | 33.5 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | -165.9 | 147.3 | 89.1 | -149.1 | -1.6 | 0 | 0 | 0 | 112.2 | |||||
| 269 | E | 32.5 | Very low | 32.6 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -81.6 | 139.3 | -172.4 | -61.6 | 176.2 | 147.6 | 0 | 0 | 111.9 | ||||
| 270 | T | 34 | Very low | 32.2 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | 177.6 | 123.7 | 121.5 | 22.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 271 | S | 31.9 | Very low | 32 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 94.2 | 117.9 | 141.6 | 94.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 272 | K | 32.3 | Very low | 31.7 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 89.3 | 94.8 | 148.5 | -64 | -179.6 | -180 | 179.5 | 0 | 118.7 | ||||
| 273 | H | 29.1 | Very low | 31.4 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | trans | -34.4 | 125.6 | 147.4 | -75.1 | -79.1 | 0 | 0 | 0 | 113.9 | ||||
| 274 | Q | 32.1 | Very low | 31.3 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -157.3 | 130.7 | 131.2 | -136.6 | 152.1 | -20.2 | 0 | 0 | 109.8 | ||||
| 275 | E | 30.8 | Very low | 31.1 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -58.4 | 143.5 | -171.9 | -61.4 | 166.7 | 144 | 0 | 0 | 114 | ||||
| 276 | P | 30.9 | Very low | 31.1 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -98.3 | 94.6 | 164.7 | 33.8 | -23.7 | 0 | 0 | 0 | 110.1 | S278 | P276-S278 PolarHBondContact O-N 3.41Š| ||
| 277 | S | 29.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -85.5 | 84.2 | 157.3 | 61.5 | 0 | 0 | 0 | 0 | 108.7 | N279 | S277-N279 PolarHBondContact O-N 2.91Å; S277-N279 VanDerWaalsContact O-N 3.12Å | ||
| 278 | S | 31.2 | Very low | 31.7 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | -79.3 | 88.8 | 169.7 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | P276 Y280 | P276-S278 PolarHBondContact O-N 3.41Å; S278-Y280 PolarHBondContact O-N 2.88Å | ||
| 279 | N | 26.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 112 | 161.3 | -90.5 | -21.2 | 0 | 0 | 0 | 108.7 | S277 S281 | S277-N279 PolarHBondContact O-N 2.91Å; S277-N279 VanDerWaalsContact O-N 3.12Å; N279-S281 VanDerWaalsContact C-N 3.34Å; N279-S281 PolarHBondContact O-N 3.46Å | ||
| 280 | Y | 27.2 | Very low | 33.2 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | -63.2 | 94 | 160.2 | -75.2 | -93.8 | 0 | 0 | 0 | 108.7 | S278 | S278-Y280 PolarHBondContact O-N 2.88Š| ||
| 281 | S | 26 | Very low | 34 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | -94 | 95.7 | 162.9 | 53.8 | 0 | 0 | 0 | 0 | 108.7 | N279 H283 | N279-S281 VanDerWaalsContact C-N 3.34Å; N279-S281 PolarHBondContact O-N 3.46Å; S281-H283 PolarHBondContact O-N 3.48Å | ||
| 282 | V | 29.8 | Very low | 34.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -61.8 | 93.7 | 158.5 | 176.4 | 0 | 0 | 0 | 0 | 106.1 | V284 | V282-V284 VanDerWaalsContact C-N 3.32Å; V282-V284 HydrophobicContact CG1-CG2 4.41Å; V282-V284 PolarHBondContact O-N 3.2Å | ||
| 283 | H | 29.1 | Very low | 35.7 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | -67.6 | 95.3 | 175 | -123.3 | -68.7 | 0 | 0 | 0 | 107.8 | S281 Q285 | S281-H283 PolarHBondContact O-N 3.48Å; H283-Q285 PolarHBondContact O-N 3.49Å | ||
| 284 | V | 31.9 | Very low | 36.9 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -65.5 | 82.7 | 168 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | V282 S286 | V282-V284 VanDerWaalsContact C-N 3.32Å; V282-V284 HydrophobicContact CG1-CG2 4.41Å; V282-V284 PolarHBondContact O-N 3.2Å; V284-S286 PolarHBondContact O-N 2.99Å | ||
| 285 | Q | 32.2 | Very low | 38.1 | Very low | 164 Ų | 164 | 125 Ų | 125 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | trans | -96.6 | 46.1 | 173.2 | -155.1 | 166.3 | 5.1 | 0 | 0 | 110 | H283 | H283-Q285 PolarHBondContact O-N 3.49Š| ||
| 286 | S | 36.6 | Very low | 39.6 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | trans | -97.4 | -14.5 | -158.1 | -170.6 | 0 | 0 | 0 | 0 | 116 | V284 | V284-S286 PolarHBondContact O-N 2.99Š| ||
| 287 | E | 40.4 | Very low | 41.1 | Very low | 183 Ų | 183 | 115.4 Ų | 115.4 | 86% | 0.855 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -105.3 | -23.5 | -170.9 | -73.3 | -173.9 | 147 | 0 | 0 | 115.5 | ||
| 288 | N | 40.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 115 Ų | 115 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -99.9 | 1 | -177.3 | -69.8 | -22.6 | 0 | 0 | 0 | 114.8 | N292 | N288-N292 VanDerWaalsContact O-CB 3.3Å; N288-N292 WeakPolarHBondContact O-CB 3.19Å; N288-N292 PolarHBondContact O-N 3.37Å; N288-N292 PolarHBondContact O-ND2 2.99Å |
| 289 | S | 51.4 | Low | 44.5 | Very low | 46 Ų | 46 | 118.8 Ų | 118.8 | 32% | 0.322 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.4 | -35.1 | -170.4 | -166.1 | 0 | 0 | 0 | 0 | 113.5 | K293 | S289-K293 WeakPolarHBondContact O-CB 3.31Å; S289-K293 VanDerWaalsContact O-CG 3.28Å; S289-K293 WeakPolarHBondContact O-CG 3.26Å; S289-K293 PolarHBondContact O-N 2.91Å |
| 290 | C | 45.1 | Very low | 46.6 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69 | -44.8 | -177.9 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | K293 L294 | C290-K293 PolarHBondContact O-N 3.16Å; C290-L294 PolarHBondContact O-N 2.67Å |
| 291 | M | 49.9 | Very low | 48.8 | Very low | 153 Ų | 153 | 105.6 Ų | 105.6 | 75% | 0.754 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.9 | -38.4 | 177.5 | -71.8 | -173.8 | 68.3 | 0 | 0 | 112.5 | K293 L294 Q295 | M291-K293 VanDerWaalsContact C-N 3.27Å; M291-K293 PolarHBondContact O-N 3.29Å; M291-L294 PolarHBondContact O-N 2.81Å; M291-L294 VanDerWaalsContact O-N 3.15Å; M291-Q295 PolarHBondContact O-N 3.33Å |
| 292 | N | 47.5 | Very low | 51.3 | Low | 93 Ų | 93 | 110.6 Ų | 110.6 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.6 | -27.2 | 176.5 | -76.9 | -12.8 | 0 | 0 | 0 | 112.7 | N288 | N288-N292 VanDerWaalsContact O-CB 3.3Å; N288-N292 WeakPolarHBondContact O-CB 3.19Å; N288-N292 PolarHBondContact O-N 3.37Å; N288-N292 PolarHBondContact O-ND2 2.99Å |
| 293 | K | 51.8 | Low | 53.4 | Low | 102 Ų | 102 | 107 Ų | 107 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.5 | -29.7 | 171.7 | -75.3 | -178.8 | -178.8 | -174.1 | 0 | 112.9 | S289 C290 M291 Q295 I296 | S289-K293 WeakPolarHBondContact O-CB 3.31Å; S289-K293 VanDerWaalsContact O-CG 3.28Å; S289-K293 WeakPolarHBondContact O-CG 3.26Å; S289-K293 PolarHBondContact O-N 2.91Å; C290-K293 PolarHBondContact O-N 3.16Å; M291-K293 VanDerWaalsContact C-N 3.27Å; M291-K293 PolarHBondContact O-N 3.29Å; K293-Q295 VanDerWaalsContact C-N 3.29Å; K293-Q295 PolarHBondContact O-N 3.36Å; K293-I296 HydrophobicContact CB-CD1 4.24Å; K293-I296 HydrophobicContact CG-CD1 4.12Å; K293-I296 WeakPolarHBondContact O-CB 3.4Å; K293-I296 WeakPolarHBondContact O-CG1 3.39Å; K293-I296 PolarHBondContact O-N 2.95Å |
| 294 | L | 55.6 | Low | 55.6 | Low | 106 Ų | 106 | 100 Ų | 100 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -31.6 | 172.7 | -154.4 | 76.4 | 0 | 0 | 0 | 111.9 | C290 M291 I296 I297 | C290-L294 PolarHBondContact O-N 2.67Å; M291-L294 PolarHBondContact O-N 2.81Å; M291-L294 VanDerWaalsContact O-N 3.15Å; L294-I296 PolarHBondContact O-N 3.3Å; L294-I296 VanDerWaalsContact O-N 3.12Å; L294-I297 HydrophobicContact CD1-CD1 3.72Å; L294-I297 HydrophobicContact CG-CD1 4.07Å; L294-I297 WeakPolarHBondContact O-CB 3.47Å; L294-I297 WeakPolarHBondContact O-CG1 3.36Å; L294-I297 PolarHBondContact O-N 3.41Å |
| 295 | Q | 57.5 | Low | 58 | Low | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -14.8 | 170.2 | -73.7 | -174.2 | -14.8 | 0 | 0 | 113.5 | M291 K293 I297 S298 | M291-Q295 PolarHBondContact O-N 3.33Å; K293-Q295 VanDerWaalsContact C-N 3.29Å; K293-Q295 PolarHBondContact O-N 3.36Å; Q295-I297 PolarHBondContact O-N 3.02Å; Q295-S298 PolarHBondContact O-N 2.98Å; Q295-S298 PolarHBondContact O-OG 3.02Å |
| 296 | I | 60.9 | Low | 60.4 | Low | 57 Ų | 57 | 91.9 Ų | 91.9 | 29% | 0.292 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | 174.3 | -60 | 168.9 | 0 | 0 | 0 | 110.7 | K293 L294 S298 K299 L300 M465 | K293-I296 HydrophobicContact CB-CD1 4.24Å; K293-I296 HydrophobicContact CG-CD1 4.12Å; K293-I296 WeakPolarHBondContact O-CB 3.4Å; K293-I296 WeakPolarHBondContact O-CG1 3.39Å; K293-I296 PolarHBondContact O-N 2.95Å; L294-I296 PolarHBondContact O-N 3.3Å; L294-I296 VanDerWaalsContact O-N 3.12Å; I296-S298 VanDerWaalsContact C-N 3.26Å; I296-S298 PolarHBondContact O-N 3.33Å; I296-K299 CarbonylContact O-C 3.47Å; I296-K299 WeakPolarHBondContact O-CA 3.31Å; I296-K299 WeakPolarHBondContact O-CB 3.18Å; I296-K299 PolarHBondContact O-N 2.85Å; I296-L300 WeakPolarHBondContact O-CD1 3.19Å; I296-L300 PolarHBondContact O-N 2.83Å; I296-M465 HydrophobicContact CB-CE 4.23Å; I296-M465 HydrophobicContact CB-SD 4.27Å; I296-M465 HydrophobicContact CD1-CE 4.18Å; I296-M465 HydrophobicContact CD1-SD 3.44Å; I296-M465 WeakPolarHBondContact CD1-SD 3.3Å; I296-M465 HydrophobicContact CG1-SD 4.44Å; I296-M465 HydrophobicContact CG2-CE 3.49Å; I296-M465 VanDerWaalsContact CG2-CE 3.49Å; I296-M465 HydrophobicContact CG2-SD 4.15Å |
| 297 | I | 63.3 | Low | 62.5 | Low | 47 Ų | 47 | 88.7 Ų | 88.7 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -55.9 | -40.8 | 176.5 | -60.7 | 178.3 | 0 | 0 | 0 | 111.4 | L294 Q295 K299 L300 V469 | L294-I297 HydrophobicContact CD1-CD1 3.72Å; L294-I297 HydrophobicContact CG-CD1 4.07Å; L294-I297 WeakPolarHBondContact O-CB 3.47Å; L294-I297 WeakPolarHBondContact O-CG1 3.36Å; L294-I297 PolarHBondContact O-N 3.41Å; Q295-I297 PolarHBondContact O-N 3.02Å; I297-K299 PolarHBondContact O-N 3.25Å; I297-L300 PolarHBondContact O-N 3.2Å; I297-V469 HydrophobicContact CD1-CG1 3.72Å; I297-V469 HydrophobicContact CD1-CG2 4.14Å; I297-V469 HydrophobicContact CG1-CG1 4.04Å; I297-V469 HydrophobicContact CG1-CG2 4.2Å |
| 298 | S | 63.1 | Low | 64.6 | Low | 96 Ų | 96 | 80.7 Ų | 80.7 | 67% | 0.671 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -71.4 | -16.6 | 178.9 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | Q295 I296 | Q295-S298 PolarHBondContact O-N 2.98Å; Q295-S298 PolarHBondContact O-OG 3.02Å; I296-S298 VanDerWaalsContact C-N 3.26Å; I296-S298 PolarHBondContact O-N 3.33Å |
| 299 | K | 68.4 | Low | 66.8 | Low | 174 Ų | 174 | 77.7 Ų | 77.7 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -95.8 | -3.8 | 177.1 | -62 | -175.3 | 179.9 | 178.7 | 0 | 113.2 | I296 I297 | I296-K299 CarbonylContact O-C 3.47Å; I296-K299 WeakPolarHBondContact O-CA 3.31Å; I296-K299 WeakPolarHBondContact O-CB 3.18Å; I296-K299 PolarHBondContact O-N 2.85Å; I297-K299 PolarHBondContact O-N 3.25Å |
| 300 | L | 71.1 | Confident | 68.6 | Low | 24 Ų | 24 | 75.9 Ų | 75.9 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -67.7 | 147.8 | 175.7 | -90.9 | 113.4 | 0 | 0 | 0 | 111.1 | I296 I297 H304 I305 V466 | I296-L300 WeakPolarHBondContact O-CD1 3.19Å; I296-L300 PolarHBondContact O-N 2.83Å; I297-L300 PolarHBondContact O-N 3.2Å; L300-H304 HydrophobicContact CB-CB 4.23Å; L300-H304 HydrophobicContact CD2-CB 3.47Å; L300-H304 VanDerWaalsContact CD2-CB 3.47Å; L300-H304 HydrophobicContact CG-CB 4.48Å; L300-I305 HydrophobicContact CB-CG1 4.37Å; L300-V466 HydrophobicContact CD2-CG2 4.25Å |
| 301 | P | 73 | Confident | 70.5 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | trans | -57.6 | 144.6 | 174.5 | -19.3 | 31 | 0 | 0 | 0 | 110.4 | T303 H304 I305 | P301-T303 PolarHBondContact O-N 3.18Å; P301-H304 WeakPolarHBondContact CD-ND1 3.36Å; P301-H304 WeakPolarHBondContact CG-ND1 3.36Å; P301-H304 WeakPolarHBondContact O-CB 3.25Å; P301-H304 PolarHBondContact O-N 2.71Å; P301-I305 PolarHBondContact O-N 3.33Å | ||
| 302 | R | 78.2 | Confident | 72.4 | Confident | 197 Ų | 197 | 66.5 Ų | 66.5 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -48.9 | -36.2 | 179.3 | -67.2 | -174 | -177.7 | 171.1 | 1.4 | 112.9 | H304 I305 V306 | R302-H304 PolarHBondContact O-N 2.67Å; R302-I305 PolarHBondContact O-N 2.86Å; R302-V306 WeakPolarHBondContact O-CG2 3.37Å; R302-V306 PolarHBondContact O-N 3.24Å |
| 303 | T | 73.7 | Confident | 74.5 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 31% | 0.307 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | P301 V306 I307 W457 | P301-T303 PolarHBondContact O-N 3.18Å; T303-V306 PolarHBondContact O-N 3.19Å; T303-I307 WeakPolarHBondContact O-CG1 3.4Å; T303-I307 PolarHBondContact O-N 3.49Å; T303-I307 VanDerWaalsContact O-N 3.16Å; T303-W457 HydrophobicContact CG2-CZ3 4.42Å |
| 304 | H | 76.4 | Confident | 76.2 | Confident | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 176.4 | -68.3 | 72.2 | 0 | 0 | 0 | 110.9 | L300 P301 R302 V306 I307 I308 W457 T458 | L300-H304 HydrophobicContact CB-CB 4.23Å; L300-H304 HydrophobicContact CD2-CB 3.47Å; L300-H304 VanDerWaalsContact CD2-CB 3.47Å; L300-H304 HydrophobicContact CG-CB 4.48Å; P301-H304 WeakPolarHBondContact CD-ND1 3.36Å; P301-H304 WeakPolarHBondContact CG-ND1 3.36Å; P301-H304 WeakPolarHBondContact O-CB 3.25Å; P301-H304 PolarHBondContact O-N 2.71Å; R302-H304 PolarHBondContact O-N 2.67Å; H304-V306 VanDerWaalsContact C-N 3.28Å; H304-V306 PolarHBondContact O-N 3.31Å; H304-I307 PolarHBondContact O-N 2.97Å; H304-I308 WeakPolarHBondContact O-CB 3.39Å; H304-I308 WeakPolarHBondContact O-CG1 3.14Å; H304-I308 PolarHBondContact O-N 2.99Å; H304-W457 WeakPolarHBondContact CE1-CB 3.46Å; H304-W457 WeakPolarHBondContact NE2-CB 3.29Å; H304-W457 PolarHBondContact NE2-O 3.27Å; H304-T458 PolarHBondContact NE2-OG1 2.99Å |
| 305 | I | 81.2 | Confident | 77.7 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 35% | 0.354 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 176.5 | -61.2 | 175 | 0 | 0 | 0 | 109.6 | L300 P301 R302 I307 I308 V309 | L300-I305 HydrophobicContact CB-CG1 4.37Å; P301-I305 PolarHBondContact O-N 3.33Å; R302-I305 PolarHBondContact O-N 2.86Å; I305-I307 PolarHBondContact O-N 3.42Å; I305-I308 PolarHBondContact O-N 2.9Å; I305-V309 HydrophobicContact CG2-CG2 4.49Å; I305-V309 VanDerWaalsContact O-CG2 3.3Å; I305-V309 WeakPolarHBondContact O-CG2 3.38Å; I305-V309 PolarHBondContact O-N 3.44Å |
| 306 | V | 82.9 | Confident | 79.2 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 178.5 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | R302 T303 H304 I308 V309 I310 I514 V518 | R302-V306 WeakPolarHBondContact O-CG2 3.37Å; R302-V306 PolarHBondContact O-N 3.24Å; T303-V306 PolarHBondContact O-N 3.19Å; H304-V306 VanDerWaalsContact C-N 3.28Å; H304-V306 PolarHBondContact O-N 3.31Å; V306-I308 VanDerWaalsContact C-N 3.35Å; V306-I308 PolarHBondContact O-N 3.36Å; V306-V309 WeakPolarHBondContact O-CB 3.21Å; V306-V309 PolarHBondContact O-N 3.18Å; V306-I310 HydrophobicContact CG1-CD1 3.9Å; V306-I310 HydrophobicContact CG1-CG1 4.38Å; V306-I310 WeakPolarHBondContact O-CG1 3.36Å; V306-I310 PolarHBondContact O-N 3Å; V306-I514 HydrophobicContact CG1-CG2 4.01Å; V306-V518 HydrophobicContact CB-CG2 4.13Å; V306-V518 HydrophobicContact CG1-CG2 3.28Å; V306-V518 HydrophobicContact CG2-CG2 4.46Å |
| 307 | I | 81.6 | Confident | 80.6 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.9 | -59 | 173.3 | 0 | 0 | 0 | 111.5 | T303 H304 I305 V309 I310 I311 L450 V453 I454 W457 | T303-I307 WeakPolarHBondContact O-CG1 3.4Å; T303-I307 PolarHBondContact O-N 3.49Å; T303-I307 VanDerWaalsContact O-N 3.16Å; H304-I307 PolarHBondContact O-N 2.97Å; I305-I307 PolarHBondContact O-N 3.42Å; I307-V309 VanDerWaalsContact C-N 3.27Å; I307-V309 PolarHBondContact O-N 3.44Å; I307-I310 PolarHBondContact O-N 2.93Å; I307-I310 VanDerWaalsContact O-N 3.17Å; I307-I311 HydrophobicContact CG2-CD1 4Å; I307-I311 HydrophobicContact CG2-CG1 4.29Å; I307-I311 WeakPolarHBondContact O-CG1 3.47Å; I307-I311 PolarHBondContact O-N 3.26Å; I307-L450 HydrophobicContact CG2-CB 4.25Å; I307-L450 HydrophobicContact CG2-CD2 3.54Å; I307-V453 HydrophobicContact CD1-CB 4.16Å; I307-V453 HydrophobicContact CD1-CG1 3.46Å; I307-V453 VanDerWaalsContact CD1-CG1 3.46Å; I307-I454 HydrophobicContact CB-CD1 3.87Å; I307-I454 HydrophobicContact CB-CG1 3.88Å; I307-I454 HydrophobicContact CD1-CG1 3.9Å; I307-I454 HydrophobicContact CG2-CD1 3.35Å; I307-I454 HydrophobicContact CG2-CG1 3.59Å; I307-W457 HydrophobicContact CD1-CE3 3.86Å; I307-W457 HydrophobicContact CD1-CH2 4.04Å; I307-W457 HydrophobicContact CD1-CZ3 3.28Å; I307-W457 HydrophobicContact CG1-CZ3 4.32Å |
| 308 | I | 83.7 | Confident | 81.4 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.1 | -70 | 165.1 | 0 | 0 | 0 | 110.3 | H304 I305 V306 I311 F312 V469 I470 M473 | H304-I308 WeakPolarHBondContact O-CB 3.39Å; H304-I308 WeakPolarHBondContact O-CG1 3.14Å; H304-I308 PolarHBondContact O-N 2.99Å; I305-I308 PolarHBondContact O-N 2.9Å; V306-I308 VanDerWaalsContact C-N 3.35Å; V306-I308 PolarHBondContact O-N 3.36Å; I308-I311 PolarHBondContact O-N 2.96Å; I308-F312 WeakPolarHBondContact O-CB 3.32Å; I308-F312 PolarHBondContact O-N 3.49Å; I308-V469 HydrophobicContact CD1-CG1 4.49Å; I308-I470 HydrophobicContact CG1-CG1 4.25Å; I308-M473 HydrophobicContact CG2-CB 4.11Å; I308-M473 HydrophobicContact CG2-CG 3.64Å |
| 309 | V | 87.4 | Confident | 82.2 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.4 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | I305 V306 I307 F312 M313 | I305-V309 HydrophobicContact CG2-CG2 4.49Å; I305-V309 VanDerWaalsContact O-CG2 3.3Å; I305-V309 WeakPolarHBondContact O-CG2 3.38Å; I305-V309 PolarHBondContact O-N 3.44Å; V306-V309 WeakPolarHBondContact O-CB 3.21Å; V306-V309 PolarHBondContact O-N 3.18Å; I307-V309 VanDerWaalsContact C-N 3.27Å; I307-V309 PolarHBondContact O-N 3.44Å; V309-F312 PolarHBondContact O-N 3.1Å; V309-M313 HydrophobicContact CG1-CG 4.33Å; V309-M313 WeakPolarHBondContact O-CB 3.47Å; V309-M313 VanDerWaalsContact O-CG 3.29Å; V309-M313 WeakPolarHBondContact O-CG 3.39Å; V309-M313 PolarHBondContact O-N 2.8Å |
| 310 | I | 87.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.7 | -69 | 160.4 | 0 | 0 | 0 | 110.7 | V306 I307 F312 M313 F314 F408 L450 I514 V515 | V306-I310 HydrophobicContact CG1-CD1 3.9Å; V306-I310 HydrophobicContact CG1-CG1 4.38Å; V306-I310 WeakPolarHBondContact O-CG1 3.36Å; V306-I310 PolarHBondContact O-N 3Å; I307-I310 PolarHBondContact O-N 2.93Å; I307-I310 VanDerWaalsContact O-N 3.17Å; I310-F312 PolarHBondContact O-N 3.46Å; I310-M313 PolarHBondContact O-N 3.43Å; I310-F314 VanDerWaalsContact O-CB 3.27Å; I310-F314 WeakPolarHBondContact O-CB 3.48Å; I310-F314 PolarHBondContact O-N 3.23Å; I310-F408 HydrophobicContact CG2-CE2 3.61Å; I310-F408 HydrophobicContact CG2-CZ 3.61Å; I310-L450 HydrophobicContact CB-CD2 4.34Å; I310-L450 HydrophobicContact CG2-CD1 4.24Å; I310-L450 HydrophobicContact CG2-CD2 3.73Å; I310-I514 HydrophobicContact CD1-CG2 4.39Å; I310-I514 HydrophobicContact CG1-CG2 4.03Å; I310-V515 HydrophobicContact CD1-CG2 3.69Å; I310-V515 HydrophobicContact CG1-CG2 4.23Å; I310-V515 HydrophobicContact CG2-CG2 4.45Å |
| 311 | I | 86.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.3 | -67.1 | 169.5 | 0 | 0 | 0 | 110.7 | I307 I308 F314 S315 L450 I454 I470 E474 | I307-I311 HydrophobicContact CG2-CD1 4Å; I307-I311 HydrophobicContact CG2-CG1 4.29Å; I307-I311 WeakPolarHBondContact O-CG1 3.47Å; I307-I311 PolarHBondContact O-N 3.26Å; I308-I311 PolarHBondContact O-N 2.96Å; I311-F314 PolarHBondContact O-N 3.21Å; I311-S315 WeakPolarHBondContact O-CB 3.37Å; I311-S315 PolarHBondContact O-N 3.49Å; I311-S315 PolarHBondContact O-OG 2.86Å; I311-L450 HydrophobicContact CD1-CB 4.15Å; I311-L450 HydrophobicContact CG1-CB 4.06Å; I311-L450 HydrophobicContact CG1-CD1 4.39Å; I311-L450 HydrophobicContact CG1-CD2 4.45Å; I311-I454 HydrophobicContact CD1-CD1 3.63Å; I311-I470 HydrophobicContact CD1-CG2 3.89Å; I311-I470 HydrophobicContact CG2-CG2 4.06Å; I311-E474 HydrophobicContact CG2-CB 4.38Å |
| 312 | F | 90 | Very high | 82.3 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -50.8 | 176.2 | 170.1 | -113 | 0 | 0 | 0 | 111.7 | I308 V309 I310 F314 S315 I316 M473 L476 I480 | I308-F312 WeakPolarHBondContact O-CB 3.32Å; I308-F312 PolarHBondContact O-N 3.49Å; V309-F312 PolarHBondContact O-N 3.1Å; I310-F312 PolarHBondContact O-N 3.46Å; F312-F314 PolarHBondContact O-N 3.13Å; F312-S315 WeakPolarHBondContact O-CB 3.44Å; F312-S315 PolarHBondContact O-N 3.4Å; F312-S315 VanDerWaalsContact O-N 3.13Å; F312-I316 HydrophobicContact CE1-CD1 3.98Å; F312-I316 HydrophobicContact CE2-CD1 4.39Å; F312-I316 HydrophobicContact CZ-CD1 3.91Å; F312-I316 PolarHBondContact O-N 3.42Å; F312-M473 HydrophobicContact CB-CB 4.45Å; F312-M473 VanDerWaalsContact CD2-O 3.31Å; F312-M473 WeakPolarHBondContact CD2-O 3.38Å; F312-L476 HydrophobicContact CD2-CB 4.37Å; F312-L476 HydrophobicContact CE2-CB 3.91Å; F312-I480 HydrophobicContact CE2-CD1 4.07Å; F312-I480 HydrophobicContact CZ-CD1 3.73Å |
| 313 | M | 89.8 | Confident | 81.9 | Confident | 31 Ų | 31 | 24.2 Ų | 24.2 | 15% | 0.153 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 176.8 | -70.6 | -73.8 | 107.4 | 0 | 0 | 111.3 | V309 I310 S315 I316 S317 F507 E511 | V309-M313 HydrophobicContact CG1-CG 4.33Å; V309-M313 WeakPolarHBondContact O-CB 3.47Å; V309-M313 VanDerWaalsContact O-CG 3.29Å; V309-M313 WeakPolarHBondContact O-CG 3.39Å; V309-M313 PolarHBondContact O-N 2.8Å; I310-M313 PolarHBondContact O-N 3.43Å; M313-S315 PolarHBondContact O-N 3.18Å; M313-I316 HydrophobicContact CE-CD1 3.67Å; M313-I316 WeakPolarHBondContact O-CA 3.24Å; M313-I316 VanDerWaalsContact O-CB 3.3Å; M313-I316 WeakPolarHBondContact O-CB 3.41Å; M313-I316 PolarHBondContact O-N 3.06Å; M313-S317 PolarHBondContact O-N 3.31Å; M313-S317 PolarHBondContact O-OG 2.91Å; M313-F507 HydrophobicContact SD-CD1 4.17Å; M313-F507 HydrophobicContact SD-CE1 4.46Å; M313-E511 HydrophobicContact CB-CG 3.56Å; M313-E511 HydrophobicContact CG-CG 4.5Å; M313-E511 VanDerWaalsContact O-OE1 3.05Å |
| 314 | F | 88.7 | Confident | 82.2 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -28.8 | 177.1 | -173.7 | -109 | 0 | 0 | 0 | 112.5 | I310 I311 F312 I316 G318 F408 F411 K443 Q446 I447 E511 | I310-F314 VanDerWaalsContact O-CB 3.27Å; I310-F314 WeakPolarHBondContact O-CB 3.48Å; I310-F314 PolarHBondContact O-N 3.23Å; I311-F314 PolarHBondContact O-N 3.21Å; F312-F314 PolarHBondContact O-N 3.13Å; F314-I316 VanDerWaalsContact C-N 3.31Å; F314-G318 VanDerWaalsContact O-CA 3.22Å; F314-G318 WeakPolarHBondContact O-CA 3.38Å; F314-G318 PolarHBondContact O-N 3.42Å; F314-F408 HydrophobicContact CB-CE1 4.43Å; F314-F408 HydrophobicContact CD2-CD1 4.03Å; F314-F408 AromaticContact CD2-CE1 3.38Å; F314-F408 HydrophobicContact CD2-CE1 3.38Å; F314-F408 HydrophobicContact CD2-CZ 4.26Å; F314-F408 HydrophobicContact CE2-CD1 4.13Å; F314-F408 AromaticContact CE2-CE1 3.71Å; F314-F408 HydrophobicContact CE2-CE1 3.71Å; F314-F408 HydrophobicContact CG-CE1 4.02Å; F314-F411 HydrophobicContact CE2-CD1 4.01Å; F314-F411 HydrophobicContact CE2-CE1 4.04Å; F314-K443 HydrophobicContact CZ-CG 3.8Å; F314-Q446 HydrophobicContact CZ-CB 4.42Å; F314-I447 HydrophobicContact CD1-CD1 4.1Å; F314-I447 HydrophobicContact CD1-CG1 3.79Å; F314-I447 HydrophobicContact CE1-CD1 3.7Å; F314-I447 HydrophobicContact CE1-CG1 3.47Å; F314-I447 VanDerWaalsContact CE1-CG1 3.47Å; F314-E511 WeakPolarHBondContact CA-OE1 3.22Å; F314-E511 WeakPolarHBondContact CD2-OE2 3.42Å; F314-E511 PolarHBondContact N-OE1 2.89Å |
| 315 | S | 87.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.4 | -25.4 | 174.4 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | I311 F312 M313 I319 E474 G477 | I311-S315 WeakPolarHBondContact O-CB 3.37Å; I311-S315 PolarHBondContact O-N 3.49Å; I311-S315 PolarHBondContact O-OG 2.86Å; F312-S315 WeakPolarHBondContact O-CB 3.44Å; F312-S315 PolarHBondContact O-N 3.4Å; F312-S315 VanDerWaalsContact O-N 3.13Å; M313-S315 PolarHBondContact O-N 3.18Å; S315-I319 WeakPolarHBondContact O-CD1 3.43Å; S315-I319 WeakPolarHBondContact O-CG1 3.3Å; S315-E474 VanDerWaalsContact CB-O 3.31Å; S315-E474 WeakPolarHBondContact CB-O 3.24Å; S315-E474 WeakPolarHBondContact OG-CA 3.38Å; S315-E474 WeakPolarHBondContact OG-CG 3.48Å; S315-G477 CarbonylContact O-C 3.51Å |
| 316 | I | 89.2 | Confident | 83.1 | Confident | 16 Ų | 16 | 19.1 Ų | 19.1 | 8% | 0.082 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -74.1 | -47.5 | 171.7 | -59.5 | 172.5 | 0 | 0 | 0 | 110.2 | F312 M313 F314 I480 S481 | F312-I316 HydrophobicContact CE1-CD1 3.98Å; F312-I316 HydrophobicContact CE2-CD1 4.39Å; F312-I316 HydrophobicContact CZ-CD1 3.91Å; F312-I316 PolarHBondContact O-N 3.42Å; M313-I316 HydrophobicContact CE-CD1 3.67Å; M313-I316 WeakPolarHBondContact O-CA 3.24Å; M313-I316 VanDerWaalsContact O-CB 3.3Å; M313-I316 WeakPolarHBondContact O-CB 3.41Å; M313-I316 PolarHBondContact O-N 3.06Å; F314-I316 VanDerWaalsContact C-N 3.31Å; I316-I480 HydrophobicContact CD1-CD1 4.13Å; I316-I480 HydrophobicContact CD1-CG2 4.47Å; I316-I480 HydrophobicContact CG1-CB 4.36Å; I316-I480 HydrophobicContact CG1-CG2 4.46Å; I316-I480 HydrophobicContact CG2-CG2 4.23Å; I316-S481 VanDerWaalsContact O-CB 3.26Å; I316-S481 WeakPolarHBondContact O-CB 2.87Å; I316-S481 PolarHBondContact O-OG 2.97Å |
| 317 | S | 88.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -91.5 | -31.1 | -167.8 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | M313 I319 T320 Q415 T508 E511 | M313-S317 PolarHBondContact O-N 3.31Å; M313-S317 PolarHBondContact O-OG 2.91Å; S317-I319 VanDerWaalsContact C-N 3.3Å; S317-I319 PolarHBondContact O-N 2.88Å; S317-T320 WeakPolarHBondContact O-CG2 3.41Å; S317-Q415 PolarHBondContact O-NE2 2.88Å; S317-T508 VanDerWaalsContact OG-CG2 3.25Å; S317-T508 WeakPolarHBondContact OG-CG2 3.27Å; S317-E511 WeakPolarHBondContact CB-OE1 3.5Å; S317-E511 PolarHBondContact OG-OE1 3.27Å |
| 318 | G | 81.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | F314 K443 | F314-G318 VanDerWaalsContact O-CA 3.22Å; F314-G318 WeakPolarHBondContact O-CA 3.38Å; F314-G318 PolarHBondContact O-N 3.42Å; G318-K443 WeakPolarHBondContact O-CE 3.21Å; G318-K443 PolarHBondContact O-NZ 3.45Å |
| 319 | I | 79.6 | Confident | 84.2 | Confident | 16 Ų | 16 | 15.9 Ų | 15.9 | 8% | 0.082 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -0.1 | -171.4 | -62.7 | -172.3 | 0 | 0 | 0 | 113.5 | S315 S317 D321 I322 I478 L482 | S315-I319 WeakPolarHBondContact O-CD1 3.43Å; S315-I319 WeakPolarHBondContact O-CG1 3.3Å; S317-I319 VanDerWaalsContact C-N 3.3Å; S317-I319 PolarHBondContact O-N 2.88Å; I319-D321 PolarHBondContact O-N 3.28Å; I319-I322 HydrophobicContact CG2-CB 4.24Å; I319-I322 HydrophobicContact CG2-CD1 4.15Å; I319-I322 HydrophobicContact CG2-CG1 4.34Å; I319-I322 PolarHBondContact O-N 3.45Å; I319-I478 HydrophobicContact CD1-CB 3.74Å; I319-I478 HydrophobicContact CD1-CD1 3.28Å; I319-I478 HydrophobicContact CD1-CG1 3.2Å; I319-I478 HydrophobicContact CD1-CG2 3.67Å; I319-L482 HydrophobicContact CG2-CD2 3.42Å; I319-L482 VanDerWaalsContact CG2-CD2 3.42Å; I319-L482 HydrophobicContact CG2-CG 4.19Å |
| 320 | T | 71.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -39.8 | -38.8 | 173.6 | 46.3 | 0 | 0 | 0 | 0 | 114 | S317 I322 Y324 L485 C504 | S317-T320 WeakPolarHBondContact O-CG2 3.41Å; T320-I322 PolarHBondContact O-N 3.1Å; T320-Y324 HydrophobicContact CG2-CE1 4.02Å; T320-Y324 WeakPolarHBondContact O-CD1 3.28Å; T320-Y324 WeakPolarHBondContact O-CE1 3.33Å; T320-L485 HydrophobicContact CG2-CD1 3.99Å; T320-C504 HydrophobicContact CG2-CB 3.41Å; T320-C504 VanDerWaalsContact CG2-CB 3.41Å; T320-C504 WeakPolarHBondContact CG2-SG 3.39Å |
| 321 | D | 71.7 | Confident | 84.3 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.011 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -81.7 | -12.4 | -168.2 | -57.7 | -15.2 | 0 | 0 | 0 | 115.2 | I319 L325 R348 H414 R440 K443 | I319-D321 PolarHBondContact O-N 3.28Å; D321-L325 WeakPolarHBondContact O-CD2 3.46Å; D321-R348 PolarHBondContact O-NH1 3.39Å; D321-R348 VanDerWaalsContact O-NH1 3.16Å; D321-H414 IonicContact OD1-NE2 3.27Å; D321-H414 PolarHBondContact OD1-NE2 3.33Å; D321-H414 IonicContact OD2-NE2 3.81Å; D321-R440 IonicContact OD2-CZ 3.43Å; D321-R440 IonicContact OD2-NE 2.79Å; D321-R440 PolarHBondContact OD2-NE 3.38Å; D321-R440 IonicContact OD2-NH2 3.84Å; D321-K443 IonicContact OD2-NZ 3.33Å; D321-K443 PolarHBondContact OD2-NZ 3Å |
| 322 | I | 71 | Confident | 84.2 | Confident | 112 Ų | 112 | 15.4 Ų | 15.4 | 57% | 0.574 | 8% | 0.081 | S | C | * | . | H | α-helix | trans | -89.2 | -44.7 | -169.9 | -59.6 | -173.4 | 0 | 0 | 0 | 110.5 | I319 T320 | I319-I322 HydrophobicContact CG2-CB 4.24Å; I319-I322 HydrophobicContact CG2-CD1 4.15Å; I319-I322 HydrophobicContact CG2-CG1 4.34Å; I319-I322 PolarHBondContact O-N 3.45Å; T320-I322 PolarHBondContact O-N 3.1Å |
| 323 | Q | 70.9 | Confident | 84 | Confident | 8 Ų | 8 | 14.4 Ų | 14.4 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -123.6 | -36.6 | -161.7 | -156.6 | 170.4 | 48.6 | 0 | 0 | 116.1 | Q70 N74 Y326 L482 | Q70-Q323 HydrophobicContact CG-CG 4.06Å; Q70-Q323 VanDerWaalsContact NE2-CD 3.33Å; N74-Q323 VanDerWaalsContact CG-NE2 3.33Å; N74-Q323 PolarHBondContact ND2-NE2 3.22Å; N74-Q323 PolarHBondContact ND2-OE1 3.03Å; N74-Q323 PolarHBondContact OD1-NE2 3.04Å; N74-Q323 PolarHBondContact OD1-OE1 3.12Å; Q323-Y326 WeakPolarHBondContact O-CD1 3.32Å; Q323-Y326 WeakPolarHBondContact O-CE1 3.48Å; Q323-L482 HydrophobicContact CB-CD2 3.91Å |
| 324 | Y | 79 | Confident | 84.1 | Confident | 5 Ų | 5 | 13.4 Ų | 13.4 | 2% | 0.02 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -18.1 | 175.7 | 95 | -91.5 | 0 | 0 | 0 | 112.2 | T320 Y326 L327 Y328 L485 Y489 V500 F501 | T320-Y324 HydrophobicContact CG2-CE1 4.02Å; T320-Y324 WeakPolarHBondContact O-CD1 3.28Å; T320-Y324 WeakPolarHBondContact O-CE1 3.33Å; Y324-Y326 PolarHBondContact O-N 3.43Å; Y324-L327 WeakPolarHBondContact O-CB 3.25Å; Y324-L327 PolarHBondContact O-N 3.22Å; Y324-Y328 HydrophobicContact CE2-CD2 4.32Å; Y324-Y328 HydrophobicContact CE2-CG 4.12Å; Y324-Y328 PolarHBondContact O-N 3.47Å; Y324-L485 HydrophobicContact CD1-CD1 4.47Å; Y324-Y489 HydrophobicContact CD2-CD2 4.32Å; Y324-V500 HydrophobicContact CD1-CG1 3.9Å; Y324-V500 HydrophobicContact CD2-CG1 4.43Å; Y324-V500 HydrophobicContact CE1-CB 4.24Å; Y324-V500 HydrophobicContact CE1-CG1 3.52Å; Y324-V500 HydrophobicContact CE2-CB 4.01Å; Y324-V500 HydrophobicContact CE2-CG1 4.1Å; Y324-V500 HydrophobicContact CE2-CG2 4.43Å; Y324-V500 HydrophobicContact CG-CG1 4.29Å; Y324-F501 HydrophobicContact CE1-CD1 4.5Å; Y324-F501 HydrophobicContact CE1-CE1 4.06Å; Y324-F501 HydrophobicContact CE1-CZ 4.13Å; Y324-F501 HydrophobicContact CE2-CD2 4.33Å; Y324-F501 HydrophobicContact CE2-CE1 4.48Å; Y324-F501 AromaticContact CE2-CE2 3.71Å; Y324-F501 HydrophobicContact CE2-CE2 3.71Å; Y324-F501 AromaticContact CE2-CZ 3.79Å; Y324-F501 HydrophobicContact CE2-CZ 3.79Å; Y324-F501 AromaticContact CZ-CD1 3.96Å; Y324-F501 AromaticContact CZ-CD2 3.91Å; Y324-F501 AromaticContact CZ-CE1 3.56Å; Y324-F501 AromaticContact CZ-CE2 3.49Å; Y324-F501 VanDerWaalsContact CZ-CE2 3.49Å; Y324-F501 AromaticContact CZ-CZ 3.29Å; Y324-F501 WeakPolarHBondContact OH-CD1 3.11Å; Y324-F501 WeakPolarHBondContact OH-CD2 3.31Å; Y324-F501 WeakPolarHBondContact OH-CE1 3.19Å; Y324-F501 WeakPolarHBondContact OH-CE2 3.35Å; Y324-F501 WeakPolarHBondContact OH-CG 3.29Å; Y324-F501 WeakPolarHBondContact OH-CZ 3.47Å; Y324-F501 PolarHBondContact OH-N 3.26Å |
| 325 | L | 86.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.7 | -37.8 | -173.8 | -180 | 65.9 | 0 | 0 | 0 | 112.3 | D321 Y328 L329 F344 T345 M418 F501 | D321-L325 WeakPolarHBondContact O-CD2 3.46Å; L325-Y328 HydrophobicContact CD1-CD1 4.47Å; L325-Y328 PolarHBondContact O-N 3.41Å; L325-L329 HydrophobicContact CD1-CD1 3.79Å; L325-L329 HydrophobicContact CD1-CD2 4.45Å; L325-L329 HydrophobicContact CD1-CG 3.91Å; L325-L329 HydrophobicContact CD2-CD1 4.26Å; L325-L329 HydrophobicContact CG-CD1 3.69Å; L325-L329 HydrophobicContact CG-CG 4.2Å; L325-L329 WeakPolarHBondContact O-CB 3.22Å; L325-L329 VanDerWaalsContact O-CG 3.25Å; L325-L329 WeakPolarHBondContact O-CG 3.44Å; L325-L329 PolarHBondContact O-N 2.98Å; L325-F344 HydrophobicContact CD2-CE1 4.12Å; L325-T345 HydrophobicContact CD2-CG2 4.05Å; L325-M418 HydrophobicContact CD1-CE 3.49Å; L325-M418 VanDerWaalsContact CD1-CE 3.49Å; L325-F501 HydrophobicContact CD1-CZ 4.17Å |
| 326 | Y | 89.4 | Confident | 84.3 | Confident | 10 Ų | 10 | 15.4 Ų | 15.4 | 4% | 0.039 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 176.5 | 82 | -91.2 | 0 | 0 | 0 | 111.3 | D32 Y36 Q323 Y324 Y328 L329 M330 | D32-Y326 HydrophobicContact CB-CD1 4.28Å; D32-Y326 HydrophobicContact CB-CE1 3.68Å; D32-Y326 HydrophobicContact CB-CE2 4.48Å; D32-Y326 PolarHBondContact O-OH 3.42Å; Y36-Y326 HydrophobicContact CG-CE2 4.49Å; Q323-Y326 WeakPolarHBondContact O-CD1 3.32Å; Q323-Y326 WeakPolarHBondContact O-CE1 3.48Å; Y324-Y326 PolarHBondContact O-N 3.43Å; Y326-Y328 VanDerWaalsContact C-N 3.28Å; Y326-Y328 PolarHBondContact O-N 3.35Å; Y326-L329 PolarHBondContact O-N 2.64Å; Y326-M330 HydrophobicContact CD2-SD 3.97Å; Y326-M330 VanDerWaalsContact O-CB 3.27Å; Y326-M330 WeakPolarHBondContact O-CB 3.32Å; Y326-M330 WeakPolarHBondContact O-CG 3.5Å; Y326-M330 PolarHBondContact O-N 3.49Å |
| 327 | L | 88.4 | Confident | 84.3 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 174.9 | -68.8 | 172.9 | 0 | 0 | 0 | 111.1 | Y36 Q63 A66 A67 Y324 S331 Y489 | Y36-L327 HydrophobicContact CD2-CD2 3.82Å; Y36-L327 HydrophobicContact CE2-CD2 4.38Å; Q63-L327 PolarHBondContact NE2-O 2.85Å; A66-L327 HydrophobicContact CB-CD2 4.1Å; A67-L327 HydrophobicContact CB-CD1 3.97Å; Y324-L327 WeakPolarHBondContact O-CB 3.25Å; Y324-L327 PolarHBondContact O-N 3.22Å; L327-S331 WeakPolarHBondContact O-CB 2.87Å; L327-S331 PolarHBondContact O-N 3.4Å; L327-S331 VanDerWaalsContact O-N 3.07Å; L327-Y489 HydrophobicContact CB-CE1 4Å; L327-Y489 PolarHBondContact O-OH 2.88Å |
| 328 | Y | 91 | Very high | 84.4 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.7 | -49.9 | 176.8 | -177.6 | -107.6 | 0 | 0 | 0 | 112.3 | Y324 L325 Y326 S331 F334 M418 S422 Y489 K497 F501 | Y324-Y328 HydrophobicContact CE2-CD2 4.32Å; Y324-Y328 HydrophobicContact CE2-CG 4.12Å; Y324-Y328 PolarHBondContact O-N 3.47Å; L325-Y328 HydrophobicContact CD1-CD1 4.47Å; L325-Y328 PolarHBondContact O-N 3.41Å; Y326-Y328 VanDerWaalsContact C-N 3.28Å; Y326-Y328 PolarHBondContact O-N 3.35Å; Y328-S331 WeakPolarHBondContact O-CB 3.23Å; Y328-S331 PolarHBondContact O-N 2.92Å; Y328-S331 PolarHBondContact O-OG 2.84Å; Y328-F334 HydrophobicContact CD1-CE2 4.03Å; Y328-F334 HydrophobicContact CE1-CD2 4.44Å; Y328-F334 AromaticContact CE1-CE2 3.48Å; Y328-F334 HydrophobicContact CE1-CE2 3.48Å; Y328-F334 VanDerWaalsContact CE1-CE2 3.48Å; Y328-F334 AromaticContact CE1-CZ 3.76Å; Y328-F334 HydrophobicContact CE1-CZ 3.76Å; Y328-F334 HydrophobicContact CE2-CE2 4.2Å; Y328-F334 AromaticContact CZ-CE2 3.58Å; Y328-F334 AromaticContact CZ-CZ 3.93Å; Y328-F334 WeakPolarHBondContact O-CD2 3.29Å; Y328-M418 HydrophobicContact CD1-CE 4.08Å; Y328-M418 HydrophobicContact CE1-CE 3.91Å; Y328-M418 PolarHBondContact OH-O 3.34Å; Y328-S422 WeakPolarHBondContact OH-CB 3.47Å; Y328-S422 PolarHBondContact OH-N 3.18Å; Y328-S422 PolarHBondContact OH-OG 3.46Å; Y328-Y489 HydrophobicContact CD2-CE2 4.38Å; Y328-K497 HydrophobicContact CD2-CB 4.44Å; Y328-K497 HydrophobicContact CE2-CB 4.17Å; Y328-F501 AromaticContact CD1-CE2 3.6Å; Y328-F501 HydrophobicContact CD1-CE2 3.6Å; Y328-F501 AromaticContact CD1-CZ 3.98Å; Y328-F501 HydrophobicContact CD1-CZ 3.98Å; Y328-F501 HydrophobicContact CD2-CE2 4Å; Y328-F501 HydrophobicContact CE1-CD2 4.44Å; Y328-F501 AromaticContact CE1-CE2 3.48Å; Y328-F501 HydrophobicContact CE1-CE2 3.48Å; Y328-F501 VanDerWaalsContact CE1-CE2 3.48Å; Y328-F501 HydrophobicContact CE1-CZ 4.12Å; Y328-F501 HydrophobicContact CE2-CD2 4.43Å; Y328-F501 AromaticContact CE2-CE2 3.93Å; Y328-F501 HydrophobicContact CE2-CE2 3.93Å; Y328-F501 AromaticContact CG-CE2 3.84Å; Y328-F501 HydrophobicContact CG-CE2 3.84Å; Y328-F501 HydrophobicContact CG-CZ 4.38Å; Y328-F501 AromaticContact CZ-CE2 3.64Å |
| 329 | L | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.3 | -25 | -178.2 | -65.1 | 172.8 | 0 | 0 | 0 | 113.4 | L325 Y326 S331 F334 L335 W336 V341 F344 V433 | L325-L329 HydrophobicContact CD1-CD1 3.79Å; L325-L329 HydrophobicContact CD1-CD2 4.45Å; L325-L329 HydrophobicContact CD1-CG 3.91Å; L325-L329 HydrophobicContact CD2-CD1 4.26Å; L325-L329 HydrophobicContact CG-CD1 3.69Å; L325-L329 HydrophobicContact CG-CG 4.2Å; L325-L329 WeakPolarHBondContact O-CB 3.22Å; L325-L329 VanDerWaalsContact O-CG 3.25Å; L325-L329 WeakPolarHBondContact O-CG 3.44Å; L325-L329 PolarHBondContact O-N 2.98Å; Y326-L329 PolarHBondContact O-N 2.64Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-F334 HydrophobicContact CD2-CG 4.49Å; L329-F334 WeakPolarHBondContact O-CB 3.42Å; L329-L335 PolarHBondContact O-N 3.46Å; L329-W336 HydrophobicContact CB-CB 4.41Å; L329-W336 HydrophobicContact CB-CD2 4.27Å; L329-W336 HydrophobicContact CB-CE3 4.01Å; L329-W336 HydrophobicContact CB-CG 4.47Å; L329-W336 HydrophobicContact CD1-CE3 3.75Å; L329-W336 HydrophobicContact CD1-CZ3 3.67Å; L329-W336 HydrophobicContact CD2-CD2 4.44Å; L329-W336 HydrophobicContact CD2-CE3 4.16Å; L329-W336 HydrophobicContact CD2-CH2 4.29Å; L329-W336 HydrophobicContact CD2-CZ3 4.05Å; L329-W336 HydrophobicContact CG-CE3 4.19Å; L329-W336 HydrophobicContact CG-CZ3 4.33Å; L329-W336 WeakPolarHBondContact O-CB 3.07Å; L329-W336 PolarHBondContact O-N 2.94Å; L329-V341 HydrophobicContact CB-CG2 3.97Å; L329-V341 HydrophobicContact CD1-CG2 4.41Å; L329-F344 HydrophobicContact CD1-CD1 3.78Å; L329-F344 HydrophobicContact CD1-CE1 4.02Å; L329-V433 HydrophobicContact CD2-CG1 3.87Å; L329-V433 HydrophobicContact CD2-CG2 4.08Å |
| 330 | M | 89.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -83 | -11.9 | 173.1 | -63.4 | -177.6 | 103.5 | 0 | 0 | 112 | Y36 Y326 W336 V341 | Y36-M330 HydrophobicContact CD1-CE 3.88Å; Y36-M330 HydrophobicContact CD1-SD 3.83Å; Y36-M330 HydrophobicContact CE1-CB 4.38Å; Y36-M330 HydrophobicContact CE1-CE 3.56Å; Y36-M330 HydrophobicContact CE1-SD 3.71Å; Y36-M330 HydrophobicContact CE2-CB 4.44Å; Y36-M330 HydrophobicContact CG-SD 4.37Å; Y326-M330 HydrophobicContact CD2-SD 3.97Å; Y326-M330 VanDerWaalsContact O-CB 3.27Å; Y326-M330 WeakPolarHBondContact O-CB 3.32Å; Y326-M330 WeakPolarHBondContact O-CG 3.5Å; Y326-M330 PolarHBondContact O-N 3.49Å; M330-W336 WeakPolarHBondContact CG-O 3.46Å; M330-V341 HydrophobicContact CG-CG2 4.03Å |
| 331 | S | 87.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -77.7 | 155.4 | 172.8 | 79.9 | 0 | 0 | 0 | 0 | 112.4 | Q63 L327 Y328 L329 F334 L335 Y489 | Q63-S331 VanDerWaalsContact NE2-CA 3.3Å; Q63-S331 VanDerWaalsContact NE2-CB 3.27Å; L327-S331 WeakPolarHBondContact O-CB 2.87Å; L327-S331 PolarHBondContact O-N 3.4Å; L327-S331 VanDerWaalsContact O-N 3.07Å; Y328-S331 WeakPolarHBondContact O-CB 3.23Å; Y328-S331 PolarHBondContact O-N 2.92Å; Y328-S331 PolarHBondContact O-OG 2.84Å; L329-S331 VanDerWaalsContact C-N 3.31Å; S331-F334 PolarHBondContact O-N 2.88Å; S331-L335 PolarHBondContact O-N 3.27Å; S331-Y489 WeakPolarHBondContact CB-OH 3.48Å |
| 332 | S | 84.5 | Confident | 87.8 | Confident | 56 Ų | 56 | 20 Ų | 20 | 39% | 0.392 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 135.3 | 166.2 | 168.8 | 0 | 0 | 0 | 0 | 109.7 | K497 | S332-K497 VanDerWaalsContact O-CD 3.23Å; S332-K497 WeakPolarHBondContact O-CD 3.19Å; S332-K497 WeakPolarHBondContact O-CE 3.44Å; S332-K497 PolarHBondContact O-NZ 3.31Å |
| 333 | P | 87.7 | Confident | 89 | Confident | 26 Ų | 26 | 19.9 Ų | 19.9 | 17% | 0.169 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90 | -10.7 | 17 | 34.9 | -37.1 | 0 | 0 | 0 | 115.4 | F424 V426 A429 | P333-F424 VanDerWaalsContact CG-O 3.26Å; P333-F424 WeakPolarHBondContact CG-O 3.27Å; P333-V426 WeakPolarHBondContact O-CG2 3.44Å; P333-A429 HydrophobicContact CG-CB 3.99Å |
| 334 | F | 90.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 4% | 0.044 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -48.7 | -169.6 | -51.3 | -74.2 | 0 | 0 | 0 | 112.6 | Y328 L329 S331 W336 A421 A429 V433 | Y328-F334 HydrophobicContact CD1-CE2 4.03Å; Y328-F334 HydrophobicContact CE1-CD2 4.44Å; Y328-F334 AromaticContact CE1-CE2 3.48Å; Y328-F334 HydrophobicContact CE1-CE2 3.48Å; Y328-F334 VanDerWaalsContact CE1-CE2 3.48Å; Y328-F334 AromaticContact CE1-CZ 3.76Å; Y328-F334 HydrophobicContact CE1-CZ 3.76Å; Y328-F334 HydrophobicContact CE2-CE2 4.2Å; Y328-F334 AromaticContact CZ-CE2 3.58Å; Y328-F334 AromaticContact CZ-CZ 3.93Å; Y328-F334 WeakPolarHBondContact O-CD2 3.29Å; L329-F334 HydrophobicContact CD2-CG 4.49Å; L329-F334 WeakPolarHBondContact O-CB 3.42Å; S331-F334 PolarHBondContact O-N 2.88Å; F334-W336 HydrophobicContact CB-CG 4.41Å; F334-W336 VanDerWaalsContact O-CD1 3.28Å; F334-W336 PolarHBondContact O-N 3.35Å; F334-A421 HydrophobicContact CE1-CB 4.23Å; F334-A421 HydrophobicContact CZ-CB 3.86Å; F334-A429 HydrophobicContact CD1-CB 3.98Å; F334-A429 HydrophobicContact CE1-CB 3.58Å; F334-A429 HydrophobicContact CZ-CB 4.38Å; F334-V433 HydrophobicContact CD1-CG2 4.11Å; F334-V433 HydrophobicContact CE1-CG2 3.41Å; F334-V433 VanDerWaalsContact CE1-CG2 3.41Å; F334-V433 HydrophobicContact CZ-CG2 3.84Å |
| 335 | L | 88.4 | Confident | 90.7 | Very high | 37 Ų | 37 | 20 Ų | 20 | 19% | 0.194 | 11% | 0.112 | C | C | . | . | trans | 49.1 | 44 | -179.7 | -59.3 | 172.9 | 0 | 0 | 0 | 113 | K52 L59 L329 S331 | K52-L335 HydrophobicContact CB-CD1 4.4Å; K52-L335 HydrophobicContact CD-CB 4.39Å; K52-L335 PolarHBondContact NZ-O 2.89Å; L59-L335 HydrophobicContact CD2-CD2 3.91Å; L329-L335 PolarHBondContact O-N 3.46Å; S331-L335 PolarHBondContact O-N 3.27Å | ||
| 336 | W | 91.5 | Very high | 91 | Very high | 17 Ų | 17 | 20 Ų | 20 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | trans | -69.9 | 151.8 | 175 | -70 | 12.2 | 0 | 0 | 0 | 110.5 | L329 M330 F334 A340 V341 F344 N430 V433 Y434 | L329-W336 HydrophobicContact CB-CB 4.41Å; L329-W336 HydrophobicContact CB-CD2 4.27Å; L329-W336 HydrophobicContact CB-CE3 4.01Å; L329-W336 HydrophobicContact CB-CG 4.47Å; L329-W336 HydrophobicContact CD1-CE3 3.75Å; L329-W336 HydrophobicContact CD1-CZ3 3.67Å; L329-W336 HydrophobicContact CD2-CD2 4.44Å; L329-W336 HydrophobicContact CD2-CE3 4.16Å; L329-W336 HydrophobicContact CD2-CH2 4.29Å; L329-W336 HydrophobicContact CD2-CZ3 4.05Å; L329-W336 HydrophobicContact CG-CE3 4.19Å; L329-W336 HydrophobicContact CG-CZ3 4.33Å; L329-W336 WeakPolarHBondContact O-CB 3.07Å; L329-W336 PolarHBondContact O-N 2.94Å; M330-W336 WeakPolarHBondContact CG-O 3.46Å; F334-W336 HydrophobicContact CB-CG 4.41Å; F334-W336 VanDerWaalsContact O-CD1 3.28Å; F334-W336 PolarHBondContact O-N 3.35Å; W336-A340 HydrophobicContact CB-CB 3.98Å; W336-A340 HydrophobicContact CD2-CB 4.22Å; W336-A340 HydrophobicContact CE3-CB 4.24Å; W336-A340 HydrophobicContact CG-CB 4.12Å; W336-V341 HydrophobicContact CB-CG2 3.9Å; W336-V341 HydrophobicContact CE3-CG2 4.25Å; W336-F344 HydrophobicContact CE3-CB 4.31Å; W336-F344 HydrophobicContact CH2-CB 4.11Å; W336-F344 HydrophobicContact CH2-CD1 4.32Å; W336-F344 AromaticContact CH2-CD2 3.89Å; W336-F344 HydrophobicContact CH2-CD2 3.89Å; W336-F344 HydrophobicContact CH2-CE2 4.38Å; W336-F344 AromaticContact CH2-CG 3.86Å; W336-F344 HydrophobicContact CH2-CG 3.86Å; W336-F344 HydrophobicContact CZ3-CB 3.42Å; W336-F344 VanDerWaalsContact CZ3-CB 3.42Å; W336-F344 AromaticContact CZ3-CD1 3.74Å; W336-F344 HydrophobicContact CZ3-CD1 3.74Å; W336-F344 AromaticContact CZ3-CD2 3.98Å; W336-F344 HydrophobicContact CZ3-CD2 3.98Å; W336-F344 HydrophobicContact CZ3-CE1 4.48Å; W336-F344 AromaticContact CZ3-CG 3.44Å; W336-F344 HydrophobicContact CZ3-CG 3.44Å; W336-F344 VanDerWaalsContact CZ3-CG 3.44Å; W336-N430 PolarHBondContact NE1-OD1 3.41Å; W336-V433 HydrophobicContact CH2-CG1 3.77Å; W336-V433 HydrophobicContact CZ2-CG1 4.3Å; W336-Y434 HydrophobicContact CH2-CE2 4.32Å; W336-Y434 HydrophobicContact CZ2-CE2 4.22Å | ||
| 337 | D | 90.2 | Very high | 91.2 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | trans | -93.3 | 174.2 | 171.3 | 57.4 | 19.1 | 0 | 0 | 0 | 111 | Y47 Q339 A340 V341 | Y47-D337 VanDerWaalsContact OH-CA 3.23Å; Y47-D337 WeakPolarHBondContact OH-CA 3.36Å; Y47-D337 WeakPolarHBondContact OH-CB 3.31Å; D337-Q339 PolarHBondContact O-N 2.88Å; D337-Q339 PolarHBondContact OD1-N 3.36Å; D337-A340 PolarHBondContact O-N 3.19Å; D337-A340 WeakPolarHBondContact OD1-CB 3.35Å; D337-A340 PolarHBondContact OD1-N 3.47Å; D337-V341 WeakPolarHBondContact O-CG2 3.36Å; D337-V341 PolarHBondContact O-N 3.19Å | ||
| 338 | A | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.1 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F29 Q33 G208 I211 G342 | F29-A338 HydrophobicContact CE1-CB 4.41Å; Q33-A338 HydrophobicContact CG-CB 4.39Å; G208-A338 VanDerWaalsContact CA-O 3.25Å; G208-A338 WeakPolarHBondContact CA-O 3.33Å; I211-A338 HydrophobicContact CB-CB 4.45Å; I211-A338 HydrophobicContact CG2-CB 4.15Å; A338-G342 PolarHBondContact O-N 3.44Å |
| 339 | Q | 94.4 | Very high | 91.3 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 30% | 0.304 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.9 | -49.4 | 178.3 | -177.7 | 179.1 | 3.9 | 0 | 0 | 112.1 | G208 Q212 D337 G342 L343 | G208-Q339 PolarHBondContact O-N 2.89Å; Q212-Q339 HydrophobicContact CB-CB 4.13Å; Q212-Q339 HydrophobicContact CG-CB 4.35Å; D337-Q339 PolarHBondContact O-N 2.88Å; D337-Q339 PolarHBondContact OD1-N 3.36Å; Q339-G342 PolarHBondContact O-N 3.17Å; Q339-L343 VanDerWaalsContact O-CB 3.29Å; Q339-L343 WeakPolarHBondContact O-CB 3.38Å; Q339-L343 PolarHBondContact O-N 2.93Å |
| 340 | A | 94.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 27.5 Ų | 27.5 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W336 D337 F344 | W336-A340 HydrophobicContact CB-CB 3.98Å; W336-A340 HydrophobicContact CD2-CB 4.22Å; W336-A340 HydrophobicContact CE3-CB 4.24Å; W336-A340 HydrophobicContact CG-CB 4.12Å; D337-A340 PolarHBondContact O-N 3.19Å; D337-A340 WeakPolarHBondContact OD1-CB 3.35Å; D337-A340 PolarHBondContact OD1-N 3.47Å; A340-F344 VanDerWaalsContact O-CB 3.23Å; A340-F344 WeakPolarHBondContact O-CB 3.43Å; A340-F344 PolarHBondContact O-N 2.88Å |
| 341 | V | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 175 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | F29 L329 M330 W336 D337 F344 T345 | F29-V341 HydrophobicContact CE2-CG1 4.42Å; F29-V341 HydrophobicContact CZ-CG1 4.45Å; L329-V341 HydrophobicContact CB-CG2 3.97Å; L329-V341 HydrophobicContact CD1-CG2 4.41Å; M330-V341 HydrophobicContact CG-CG2 4.03Å; W336-V341 HydrophobicContact CB-CG2 3.9Å; W336-V341 HydrophobicContact CE3-CG2 4.25Å; D337-V341 WeakPolarHBondContact O-CG2 3.36Å; D337-V341 PolarHBondContact O-N 3.19Å; V341-F344 PolarHBondContact O-N 3.01Å; V341-T345 HydrophobicContact CG1-CG2 4.29Å; V341-T345 WeakPolarHBondContact O-CB 3.48Å; V341-T345 VanDerWaalsContact O-CG2 3.27Å; V341-T345 WeakPolarHBondContact O-CG2 3.41Å; V341-T345 PolarHBondContact O-N 3.4Å; V341-T345 PolarHBondContact O-OG1 3.02Å |
| 342 | G | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N204 A205 A338 Q339 T345 G346 | N204-G342 VanDerWaalsContact O-CA 3.28Å; N204-G342 WeakPolarHBondContact O-CA 3.39Å; A205-G342 WeakPolarHBondContact CA-O 3.48Å; A205-G342 PolarHBondContact N-O 2.92Å; A338-G342 PolarHBondContact O-N 3.44Å; Q339-G342 PolarHBondContact O-N 3.17Å; G342-T345 WeakPolarHBondContact CA-OG1 3.19Å; G342-T345 PolarHBondContact O-OG1 3.24Å; G342-G346 PolarHBondContact O-N 3.44Å |
| 343 | L | 94.9 | Very high | 91.9 | Very high | 108 Ų | 108 | 27.6 Ų | 27.6 | 57% | 0.565 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -65.6 | -45.1 | 178.6 | -176.3 | 65.2 | 0 | 0 | 0 | 112 | Q339 G346 L347 | Q339-L343 VanDerWaalsContact O-CB 3.29Å; Q339-L343 WeakPolarHBondContact O-CB 3.38Å; Q339-L343 PolarHBondContact O-N 2.93Å; L343-G346 PolarHBondContact O-N 3.34Å; L343-L347 WeakPolarHBondContact O-CB 3.2Å; L343-L347 PolarHBondContact O-N 3.3Å |
| 344 | F | 94.5 | Very high | 92 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | 178 | 171.5 | -107.2 | 0 | 0 | 0 | 111.7 | L325 L329 W336 A340 V341 G346 L347 R348 V433 Y434 T437 | L325-F344 HydrophobicContact CD2-CE1 4.12Å; L329-F344 HydrophobicContact CD1-CD1 3.78Å; L329-F344 HydrophobicContact CD1-CE1 4.02Å; W336-F344 HydrophobicContact CE3-CB 4.31Å; W336-F344 HydrophobicContact CH2-CB 4.11Å; W336-F344 HydrophobicContact CH2-CD1 4.32Å; W336-F344 AromaticContact CH2-CD2 3.89Å; W336-F344 HydrophobicContact CH2-CD2 3.89Å; W336-F344 HydrophobicContact CH2-CE2 4.38Å; W336-F344 AromaticContact CH2-CG 3.86Å; W336-F344 HydrophobicContact CH2-CG 3.86Å; W336-F344 HydrophobicContact CZ3-CB 3.42Å; W336-F344 VanDerWaalsContact CZ3-CB 3.42Å; W336-F344 AromaticContact CZ3-CD1 3.74Å; W336-F344 HydrophobicContact CZ3-CD1 3.74Å; W336-F344 AromaticContact CZ3-CD2 3.98Å; W336-F344 HydrophobicContact CZ3-CD2 3.98Å; W336-F344 HydrophobicContact CZ3-CE1 4.48Å; W336-F344 AromaticContact CZ3-CG 3.44Å; W336-F344 HydrophobicContact CZ3-CG 3.44Å; W336-F344 VanDerWaalsContact CZ3-CG 3.44Å; A340-F344 VanDerWaalsContact O-CB 3.23Å; A340-F344 WeakPolarHBondContact O-CB 3.43Å; A340-F344 PolarHBondContact O-N 2.88Å; V341-F344 PolarHBondContact O-N 3.01Å; F344-G346 VanDerWaalsContact C-N 3.31Å; F344-G346 PolarHBondContact O-N 2.86Å; F344-L347 PolarHBondContact O-N 3.28Å; F344-R348 WeakPolarHBondContact O-CB 3.29Å; F344-R348 PolarHBondContact O-N 2.96Å; F344-V433 HydrophobicContact CE1-CG1 3.95Å; F344-V433 HydrophobicContact CE2-CG1 3.74Å; F344-V433 HydrophobicContact CZ-CG1 3.41Å; F344-V433 VanDerWaalsContact CZ-CG1 3.41Å; F344-Y434 HydrophobicContact CD2-CD1 4.02Å; F344-Y434 AromaticContact CD2-CE1 3.72Å; F344-Y434 HydrophobicContact CD2-CE1 3.72Å; F344-Y434 HydrophobicContact CE2-CD1 4.02Å; F344-Y434 HydrophobicContact CE2-CE1 4.19Å; F344-T437 VanDerWaalsContact CE2-OG1 3.3Å; F344-T437 WeakPolarHBondContact CE2-OG1 3.22Å; F344-T437 WeakPolarHBondContact CZ-OG1 3.38Å |
| 345 | T | 91.6 | Very high | 92 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | L325 V341 G342 D349 | L325-T345 HydrophobicContact CD2-CG2 4.05Å; V341-T345 HydrophobicContact CG1-CG2 4.29Å; V341-T345 WeakPolarHBondContact O-CB 3.48Å; V341-T345 VanDerWaalsContact O-CG2 3.27Å; V341-T345 WeakPolarHBondContact O-CG2 3.41Å; V341-T345 PolarHBondContact O-N 3.4Å; V341-T345 PolarHBondContact O-OG1 3.02Å; G342-T345 WeakPolarHBondContact CA-OG1 3.19Å; G342-T345 PolarHBondContact O-OG1 3.24Å; T345-D349 WeakPolarHBondContact O-CB 3.44Å; T345-D349 PolarHBondContact O-N 3.47Å |
| 346 | G | 93 | Very high | 91.9 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -55 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A201 G342 L343 F344 R348 D349 V350 | A201-G346 WeakPolarHBondContact CB-O 3.49Å; A201-G346 WeakPolarHBondContact O-CA 3.34Å; G342-G346 PolarHBondContact O-N 3.44Å; L343-G346 PolarHBondContact O-N 3.34Å; F344-G346 VanDerWaalsContact C-N 3.31Å; F344-G346 PolarHBondContact O-N 2.86Å; G346-R348 VanDerWaalsContact C-N 3.31Å; G346-R348 PolarHBondContact O-N 2.82Å; G346-D349 PolarHBondContact O-N 3.39Å; G346-D349 VanDerWaalsContact O-N 3.14Å; G346-V350 WeakPolarHBondContact O-CG2 3.02Å; G346-V350 PolarHBondContact O-N 2.98Å |
| 347 | L | 93 | Very high | 91.6 | Very high | 100 Ų | 100 | 34.5 Ų | 34.5 | 52% | 0.524 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.7 | -45.3 | -179.5 | 178.9 | 62.9 | 0 | 0 | 0 | 111.9 | L343 F344 D349 V350 C351 | L343-L347 WeakPolarHBondContact O-CB 3.2Å; L343-L347 PolarHBondContact O-N 3.3Å; F344-L347 PolarHBondContact O-N 3.28Å; L347-D349 VanDerWaalsContact C-N 3.3Å; L347-D349 PolarHBondContact O-N 3.39Å; L347-V350 PolarHBondContact O-N 3.45Å; L347-C351 WeakPolarHBondContact O-CB 3.37Å; L347-C351 PolarHBondContact O-N 3.08Å; L347-C351 PolarHBondContact O-SG 3.26Å |
| 348 | R | 90.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 4% | 0.038 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 178.6 | -179.8 | -146.3 | 61.1 | -175.2 | -2.7 | 112.1 | D321 F344 G346 C352 T437 R440 | D321-R348 PolarHBondContact O-NH1 3.39Å; D321-R348 VanDerWaalsContact O-NH1 3.16Å; F344-R348 WeakPolarHBondContact O-CB 3.29Å; F344-R348 PolarHBondContact O-N 2.96Å; G346-R348 VanDerWaalsContact C-N 3.31Å; G346-R348 PolarHBondContact O-N 2.82Å; R348-C352 WeakPolarHBondContact O-CB 3.1Å; R348-C352 PolarHBondContact O-N 3.24Å; R348-T437 HydrophobicContact CB-CG2 3.88Å; R348-T437 HydrophobicContact CG-CG2 3.5Å; R348-T437 VanDerWaalsContact CG-CG2 3.5Å; R348-R440 VanDerWaalsContact CG-NH1 3.27Å; R348-R440 VanDerWaalsContact NE-NH1 3.16Å; R348-R440 VanDerWaalsContact NE-NH2 3.13Å; R348-R440 PolarHBondContact O-NH1 3.28Å |
| 349 | D | 90.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.9 | -42.6 | 179.7 | -70.2 | -16.1 | 0 | 0 | 0 | 112.2 | T197 A201 T345 G346 L347 C351 C352 T353 R440 | T197-D349 HydrophobicContact CG2-CB 4.01Å; A201-D349 HydrophobicContact CB-CB 3.88Å; T345-D349 WeakPolarHBondContact O-CB 3.44Å; T345-D349 PolarHBondContact O-N 3.47Å; G346-D349 PolarHBondContact O-N 3.39Å; G346-D349 VanDerWaalsContact O-N 3.14Å; L347-D349 VanDerWaalsContact C-N 3.3Å; L347-D349 PolarHBondContact O-N 3.39Å; D349-C351 PolarHBondContact O-N 3.5Å; D349-C352 WeakPolarHBondContact O-CB 3.46Å; D349-C352 PolarHBondContact O-N 3.23Å; D349-T353 PolarHBondContact O-N 3.24Å; D349-T353 PolarHBondContact O-OG1 2.82Å; D349-R440 IonicContact OD1-CZ 2.78Å; D349-R440 IonicContact OD1-NH1 3.62Å; D349-R440 PolarHBondContact OD1-NH1 2.85Å; D349-R440 IonicContact OD1-NH2 3.65Å; D349-R440 PolarHBondContact OD1-NH2 3.46Å |
| 350 | V | 92.4 | Very high | 90.6 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | A201 G346 L347 C352 T353 F354 | A201-V350 HydrophobicContact CB-CG2 3.6Å; G346-V350 WeakPolarHBondContact O-CG2 3.02Å; G346-V350 PolarHBondContact O-N 2.98Å; L347-V350 PolarHBondContact O-N 3.45Å; V350-C352 VanDerWaalsContact C-N 3.32Å; V350-C352 PolarHBondContact O-N 3.03Å; V350-T353 WeakPolarHBondContact O-CB 3.43Å; V350-T353 PolarHBondContact O-N 3.38Å; V350-F354 HydrophobicContact CG1-CD2 3.61Å; V350-F354 HydrophobicContact CG1-CE2 3.42Å; V350-F354 VanDerWaalsContact CG1-CE2 3.42Å; V350-F354 WeakPolarHBondContact O-CD2 3.39Å; V350-F354 PolarHBondContact O-N 3.27Å |
| 351 | C | 92.5 | Very high | 90.1 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 28% | 0.284 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 178.1 | -70.3 | 0 | 0 | 0 | 0 | 112 | L347 D349 T353 F354 V355 F441 | L347-C351 WeakPolarHBondContact O-CB 3.37Å; L347-C351 PolarHBondContact O-N 3.08Å; L347-C351 PolarHBondContact O-SG 3.26Å; D349-C351 PolarHBondContact O-N 3.5Å; C351-T353 VanDerWaalsContact C-N 3.34Å; C351-T353 PolarHBondContact O-N 3.01Å; C351-F354 PolarHBondContact O-N 2.75Å; C351-V355 WeakPolarHBondContact O-CG2 3.47Å; C351-V355 PolarHBondContact O-N 2.97Å; C351-F441 HydrophobicContact CB-CD1 4.14Å; C351-F441 HydrophobicContact CB-CE1 3.31Å; C351-F441 HydrophobicContact CB-CE2 4.26Å; C351-F441 HydrophobicContact CB-CZ 3.38Å |
| 352 | C | 90.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 175.1 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | R348 D349 V350 V355 S356 F441 | R348-C352 WeakPolarHBondContact O-CB 3.1Å; R348-C352 PolarHBondContact O-N 3.24Å; D349-C352 WeakPolarHBondContact O-CB 3.46Å; D349-C352 PolarHBondContact O-N 3.23Å; V350-C352 VanDerWaalsContact C-N 3.32Å; V350-C352 PolarHBondContact O-N 3.03Å; C352-V355 PolarHBondContact O-N 3.44Å; C352-S356 WeakPolarHBondContact O-CB 3.16Å; C352-S356 PolarHBondContact O-N 3.21Å; C352-F441 HydrophobicContact CB-CD1 4.06Å |
| 353 | T | 89.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.1 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | T197 D349 V350 C351 V355 S356 I357 | T197-T353 WeakPolarHBondContact CB-OG1 3.38Å; T197-T353 WeakPolarHBondContact CG2-OG1 3.46Å; D349-T353 PolarHBondContact O-N 3.24Å; D349-T353 PolarHBondContact O-OG1 2.82Å; V350-T353 WeakPolarHBondContact O-CB 3.43Å; V350-T353 PolarHBondContact O-N 3.38Å; C351-T353 VanDerWaalsContact C-N 3.34Å; C351-T353 PolarHBondContact O-N 3.01Å; T353-V355 VanDerWaalsContact C-N 3.34Å; T353-V355 PolarHBondContact O-N 3.34Å; T353-S356 PolarHBondContact O-N 2.92Å; T353-I357 HydrophobicContact CG2-CD1 3.72Å; T353-I357 HydrophobicContact CG2-CG1 4.38Å; T353-I357 WeakPolarHBondContact O-CG1 3.38Å; T353-I357 PolarHBondContact O-N 3.05Å |
| 354 | F | 91.2 | Very high | 87.8 | Confident | 137 Ų | 137 | 38.6 Ų | 38.6 | 60% | 0.601 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.2 | -44.6 | 178.5 | -83.2 | -70.9 | 0 | 0 | 0 | 112 | V350 C351 L358 | V350-F354 HydrophobicContact CG1-CD2 3.61Å; V350-F354 HydrophobicContact CG1-CE2 3.42Å; V350-F354 VanDerWaalsContact CG1-CE2 3.42Å; V350-F354 WeakPolarHBondContact O-CD2 3.39Å; V350-F354 PolarHBondContact O-N 3.27Å; C351-F354 PolarHBondContact O-N 2.75Å; F354-L358 VanDerWaalsContact O-CB 3.31Å; F354-L358 WeakPolarHBondContact O-CB 3.34Å; F354-L358 PolarHBondContact O-N 2.93Å |
| 355 | V | 89.6 | Confident | 87 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.7 | C351 C352 T353 L358 C359 F441 | C351-V355 WeakPolarHBondContact O-CG2 3.47Å; C351-V355 PolarHBondContact O-N 2.97Å; C352-V355 PolarHBondContact O-N 3.44Å; T353-V355 VanDerWaalsContact C-N 3.34Å; T353-V355 PolarHBondContact O-N 3.34Å; V355-L358 PolarHBondContact O-N 2.63Å; V355-C359 WeakPolarHBondContact O-CB 3.22Å; V355-C359 PolarHBondContact O-N 2.94Å; V355-C359 PolarHBondContact O-SG 2.64Å; V355-F441 HydrophobicContact CB-CB 4.06Å; V355-F441 HydrophobicContact CG1-CB 3.99Å; V355-F441 HydrophobicContact CG2-CB 4.12Å; V355-F441 HydrophobicContact CG2-CD2 3.99Å; V355-F441 HydrophobicContact CG2-CG 4.16Å |
| 356 | S | 85.8 | Confident | 86.1 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | C352 T353 L358 C359 V360 G444 F445 | C352-S356 WeakPolarHBondContact O-CB 3.16Å; C352-S356 PolarHBondContact O-N 3.21Å; T353-S356 PolarHBondContact O-N 2.92Å; S356-L358 VanDerWaalsContact C-N 3.31Å; S356-L358 PolarHBondContact O-N 3.26Å; S356-C359 PolarHBondContact O-N 2.98Å; S356-V360 WeakPolarHBondContact O-CB 3.43Å; S356-V360 WeakPolarHBondContact O-CG2 3.49Å; S356-V360 PolarHBondContact O-N 2.85Å; S356-G444 PolarHBondContact OG-O 3.5Å; S356-F445 PolarHBondContact OG-N 3.13Å |
| 357 | I | 87 | Confident | 84.8 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 177.8 | -67 | 168 | 0 | 0 | 0 | 110.7 | T190 T353 S361 | T190-I357 HydrophobicContact CG2-CG1 3.99Å; T353-I357 HydrophobicContact CG2-CD1 3.72Å; T353-I357 HydrophobicContact CG2-CG1 4.38Å; T353-I357 WeakPolarHBondContact O-CG1 3.38Å; T353-I357 PolarHBondContact O-N 3.05Å; I357-S361 WeakPolarHBondContact O-CB 3.32Å; I357-S361 PolarHBondContact O-N 3.36Å; I357-S361 PolarHBondContact O-OG 2.86Å |
| 358 | L | 88.8 | Confident | 83.2 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 178.4 | -176.2 | 66.6 | 0 | 0 | 0 | 111.4 | F354 V355 S356 S361 M362 | F354-L358 VanDerWaalsContact O-CB 3.31Å; F354-L358 WeakPolarHBondContact O-CB 3.34Å; F354-L358 PolarHBondContact O-N 2.93Å; V355-L358 PolarHBondContact O-N 2.63Å; S356-L358 VanDerWaalsContact C-N 3.31Å; S356-L358 PolarHBondContact O-N 3.26Å; L358-S361 PolarHBondContact O-N 2.73Å; L358-M362 HydrophobicContact CD1-CE 3.95Å; L358-M362 HydrophobicContact CD2-CE 4.36Å; L358-M362 HydrophobicContact CG-CE 4.06Å; L358-M362 WeakPolarHBondContact O-CG 3.49Å; L358-M362 PolarHBondContact O-N 2.97Å |
| 359 | C | 84.2 | Confident | 81.4 | Confident | 38 Ų | 38 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 178.3 | -74 | 0 | 0 | 0 | 0 | 111.3 | V355 S356 S361 M362 M363 F445 | V355-C359 WeakPolarHBondContact O-CB 3.22Å; V355-C359 PolarHBondContact O-N 2.94Å; V355-C359 PolarHBondContact O-SG 2.64Å; S356-C359 PolarHBondContact O-N 2.98Å; C359-S361 PolarHBondContact O-N 3.48Å; C359-M362 PolarHBondContact O-N 3.2Å; C359-M363 VanDerWaalsContact O-CG 3.26Å; C359-M363 WeakPolarHBondContact O-CG 3.25Å; C359-M363 PolarHBondContact O-N 3.41Å; C359-F445 HydrophobicContact CB-CD1 4.13Å |
| 360 | V | 81.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.2 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | W186 T190 S356 M362 M363 V364 | W186-V360 HydrophobicContact CD2-CG1 4.11Å; W186-V360 HydrophobicContact CG-CG1 4.36Å; W186-V360 HydrophobicContact CZ2-CB 4.39Å; W186-V360 HydrophobicContact CZ2-CG1 3.9Å; W186-V360 HydrophobicContact CZ2-CG2 4.16Å; T190-V360 HydrophobicContact CG2-CB 4.01Å; T190-V360 HydrophobicContact CG2-CG1 4.15Å; T190-V360 HydrophobicContact CG2-CG2 3.96Å; S356-V360 WeakPolarHBondContact O-CB 3.43Å; S356-V360 WeakPolarHBondContact O-CG2 3.49Å; S356-V360 PolarHBondContact O-N 2.85Å; V360-M362 VanDerWaalsContact C-N 3.29Å; V360-M362 PolarHBondContact O-N 3.49Å; V360-M363 PolarHBondContact O-N 2.93Å; V360-V364 HydrophobicContact CG1-CG2 4.22Å; V360-V364 VanDerWaalsContact O-CG2 3.28Å; V360-V364 WeakPolarHBondContact O-CG2 3.18Å; V360-V364 PolarHBondContact O-N 3.08Å |
| 361 | S | 82.7 | Confident | 77.3 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 178.1 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | I357 L358 C359 K365 | I357-S361 WeakPolarHBondContact O-CB 3.32Å; I357-S361 PolarHBondContact O-N 3.36Å; I357-S361 PolarHBondContact O-OG 2.86Å; L358-S361 PolarHBondContact O-N 2.73Å; C359-S361 PolarHBondContact O-N 3.48Å; S361-K365 VanDerWaalsContact O-CG 3.31Å; S361-K365 WeakPolarHBondContact O-CG 3.49Å; S361-K365 PolarHBondContact O-N 3.36Å |
| 362 | M | 82.5 | Confident | 75.1 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 47% | 0.468 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 174.3 | -73.8 | -175.3 | 175.5 | 0 | 0 | 111.2 | L358 C359 V360 V364 K365 F366 | L358-M362 HydrophobicContact CD1-CE 3.95Å; L358-M362 HydrophobicContact CD2-CE 4.36Å; L358-M362 HydrophobicContact CG-CE 4.06Å; L358-M362 WeakPolarHBondContact O-CG 3.49Å; L358-M362 PolarHBondContact O-N 2.97Å; C359-M362 PolarHBondContact O-N 3.2Å; V360-M362 VanDerWaalsContact C-N 3.29Å; V360-M362 PolarHBondContact O-N 3.49Å; M362-V364 VanDerWaalsContact C-N 3.34Å; M362-V364 PolarHBondContact O-N 3.44Å; M362-K365 WeakPolarHBondContact O-CB 3.33Å; M362-K365 PolarHBondContact O-N 3.02Å; M362-K365 VanDerWaalsContact O-N 3.07Å; M362-F366 HydrophobicContact CB-CD2 4.32Å; M362-F366 HydrophobicContact CB-CE2 4.24Å; M362-F366 WeakPolarHBondContact O-CD2 3.19Å; M362-F366 PolarHBondContact O-N 3.14Å |
| 363 | M | 77.8 | Confident | 72.5 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 15% | 0.153 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 179.7 | -68.2 | 174.8 | 77.3 | 0 | 0 | 112.5 | W186 C359 V360 K365 F366 H367 L400 L403 I449 | W186-M363 HydrophobicContact CH2-CB 3.64Å; W186-M363 HydrophobicContact CH2-CE 4.11Å; W186-M363 HydrophobicContact CH2-SD 4.24Å; W186-M363 HydrophobicContact CZ2-CB 4.37Å; W186-M363 HydrophobicContact CZ2-CE 4.45Å; W186-M363 HydrophobicContact CZ2-SD 4.29Å; W186-M363 HydrophobicContact CZ3-CB 4.45Å; C359-M363 VanDerWaalsContact O-CG 3.26Å; C359-M363 WeakPolarHBondContact O-CG 3.25Å; C359-M363 PolarHBondContact O-N 3.41Å; V360-M363 PolarHBondContact O-N 2.93Å; M363-K365 VanDerWaalsContact C-N 3.29Å; M363-K365 PolarHBondContact O-N 3.41Å; M363-F366 PolarHBondContact O-N 3.5Å; M363-H367 WeakPolarHBondContact O-CB 3.48Å; M363-H367 PolarHBondContact O-N 3.27Å; M363-L400 HydrophobicContact CE-CD2 3.39Å; M363-L403 HydrophobicContact CE-CD2 3.31Å; M363-L403 HydrophobicContact CG-CD2 4.44Å; M363-L403 HydrophobicContact SD-CD2 3.31Å; M363-L403 WeakPolarHBondContact SD-CD2 3.26Å; M363-I449 HydrophobicContact CE-CD1 4.08Å; M363-I449 HydrophobicContact CE-CG1 4.42Å; M363-I449 HydrophobicContact SD-CD1 4.23Å |
| 364 | V | 74 | Confident | 70.2 | Confident | 27 Ų | 27 | 84.6 Ų | 84.6 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | K183 W186 V360 M362 | K183-V364 HydrophobicContact CD-CG1 4.33Å; K183-V364 HydrophobicContact CG-CG1 4.22Å; W186-V364 HydrophobicContact CD2-CG2 3.9Å; W186-V364 HydrophobicContact CE3-CG2 3.31Å; W186-V364 HydrophobicContact CH2-CG2 4.11Å; W186-V364 HydrophobicContact CZ3-CB 4.47Å; W186-V364 HydrophobicContact CZ3-CG2 3.42Å; W186-V364 VanDerWaalsContact CZ3-CG2 3.42Å; V360-V364 HydrophobicContact CG1-CG2 4.22Å; V360-V364 VanDerWaalsContact O-CG2 3.28Å; V360-V364 WeakPolarHBondContact O-CG2 3.18Å; V360-V364 PolarHBondContact O-N 3.08Å; M362-V364 VanDerWaalsContact C-N 3.34Å; M362-V364 PolarHBondContact O-N 3.44Å |
| 365 | K | 78.4 | Confident | 67.8 | Low | 148 Ų | 148 | 84 Ų | 84 | 64% | 0.643 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.3 | -43.2 | 175.8 | -75.7 | 176.5 | -178.8 | 179.8 | 0 | 112.2 | S361 M362 M363 H367 K368 H369 | S361-K365 VanDerWaalsContact O-CG 3.31Å; S361-K365 WeakPolarHBondContact O-CG 3.49Å; S361-K365 PolarHBondContact O-N 3.36Å; M362-K365 WeakPolarHBondContact O-CB 3.33Å; M362-K365 PolarHBondContact O-N 3.02Å; M362-K365 VanDerWaalsContact O-N 3.07Å; M363-K365 VanDerWaalsContact C-N 3.29Å; M363-K365 PolarHBondContact O-N 3.41Å; K365-H367 VanDerWaalsContact C-N 3.31Å; K365-H367 PolarHBondContact O-N 3.37Å; K365-K368 VanDerWaalsContact O-CB 3.23Å; K365-K368 WeakPolarHBondContact O-CB 3.25Å; K365-K368 PolarHBondContact O-N 2.95Å; K365-H369 PolarHBondContact O-ND1 3.09Å |
| 366 | F | 71.9 | Confident | 65.3 | Low | 141 Ų | 141 | 88.1 Ų | 88.1 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | 177.1 | -81 | -67.4 | 0 | 0 | 0 | 111.7 | M362 M363 K368 H369 | M362-F366 HydrophobicContact CB-CD2 4.32Å; M362-F366 HydrophobicContact CB-CE2 4.24Å; M362-F366 WeakPolarHBondContact O-CD2 3.19Å; M362-F366 PolarHBondContact O-N 3.14Å; M363-F366 PolarHBondContact O-N 3.5Å; F366-K368 PolarHBondContact O-N 3.25Å; F366-K368 VanDerWaalsContact O-N 3.1Å; F366-H369 PolarHBondContact O-N 2.84Å |
| 367 | H | 65.4 | Low | 63.3 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 30% | 0.301 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.8 | 175.3 | -172.4 | -134.8 | 0 | 0 | 0 | 113.8 | M363 K365 D396 | M363-H367 WeakPolarHBondContact O-CB 3.48Å; M363-H367 PolarHBondContact O-N 3.27Å; K365-H367 VanDerWaalsContact C-N 3.31Å; K365-H367 PolarHBondContact O-N 3.37Å; H367-D396 VanDerWaalsContact CD2-CG 3.5Å; H367-D396 IonicContact CD2-OD1 3.62Å; H367-D396 PolarHBondContact CD2-OD1 2.97Å; H367-D396 IonicContact CD2-OD2 3.7Å; H367-D396 PolarHBondContact CD2-OD2 3.39Å; H367-D396 IonicContact NE2-OD2 3.75Å; H367-D396 PolarHBondContact NE2-OD2 3.48Å |
| 368 | K | 59.8 | Low | 61 | Low | 159 Ų | 159 | 95.6 Ų | 95.6 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -27.1 | 171.7 | -169.4 | -176.2 | 174.8 | -173.4 | 0 | 112.4 | K365 F366 | K365-K368 VanDerWaalsContact O-CB 3.23Å; K365-K368 WeakPolarHBondContact O-CB 3.25Å; K365-K368 PolarHBondContact O-N 2.95Å; F366-K368 PolarHBondContact O-N 3.25Å; F366-K368 VanDerWaalsContact O-N 3.1Å |
| 369 | H | 53.5 | Low | 58.8 | Low | 152 Ų | 152 | 95.5 Ų | 95.5 | 70% | 0.704 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -98.7 | -5.4 | -168.5 | -75.1 | 78.9 | 0 | 0 | 0 | 114.4 | K365 F366 P371 | K365-H369 PolarHBondContact O-ND1 3.09Å; F366-H369 PolarHBondContact O-N 2.84Å; H369-P371 WeakPolarHBondContact O-CD 3.31Å |
| 370 | Q | 53 | Low | 56.9 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | trans | -73.9 | 114.6 | 173.4 | -78.6 | -173.8 | 27.5 | 0 | 0 | 109.9 | T372 D396 | Q370-T372 PolarHBondContact O-N 3.38Å; Q370-D396 PolarHBondContact NE2-OD1 2.7Å; Q370-D396 PolarHBondContact OE1-OD1 3.44Å | ||
| 371 | P | 43.4 | Very low | 55.1 | Low | 92 Ų | 92 | 103 Ų | 103 | 60% | 0.597 | 55% | 0.55 | S | S | * | * | trans | -64.1 | 136.4 | 171.7 | 27.6 | -31.8 | 0 | 0 | 0 | 108.4 | H369 N373 | H369-P371 WeakPolarHBondContact O-CD 3.31Å; P371-N373 PolarHBondContact O-N 2.65Å | ||
| 372 | T | 46.8 | Very low | 53.2 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | trans | -68.7 | 67.8 | 172.2 | 43.1 | 0 | 0 | 0 | 0 | 110.1 | Q370 H374 | Q370-T372 PolarHBondContact O-N 3.38Å; T372-H374 VanDerWaalsContact C-N 3.33Å; T372-H374 PolarHBondContact O-N 2.94Å; T372-H374 VanDerWaalsContact O-N 3.08Å | ||
| 373 | N | 35.3 | Very low | 51.5 | Low | 108 Ų | 108 | 115.5 Ų | 115.5 | 58% | 0.578 | 60% | 0.598 | S | S | * | * | trans | -82.7 | 85.7 | 172.7 | -72.6 | -2.9 | 0 | 0 | 0 | 107.8 | P371 V375 | P371-N373 PolarHBondContact O-N 2.65Å; N373-V375 PolarHBondContact O-N 3.21Å | ||
| 374 | H | 42.9 | Very low | 49.7 | Very low | 179 Ų | 179 | 121.8 Ų | 121.8 | 83% | 0.829 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 17.6 | 172.5 | -86 | -78.6 | 0 | 0 | 0 | 114 | T372 | T372-H374 VanDerWaalsContact C-N 3.33Å; T372-H374 PolarHBondContact O-N 2.94Å; T372-H374 VanDerWaalsContact O-N 3.08Å |
| 375 | V | 40.3 | Very low | 48 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | -16.8 | -160.5 | -176.9 | 0 | 0 | 0 | 0 | 115.3 | N373 | N373-V375 PolarHBondContact O-N 3.21Š|
| 376 | E | 37.6 | Very low | 46.2 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -102.2 | -4.4 | -170.5 | -80.9 | -177.5 | 150.9 | 0 | 0 | 117.3 | A378 S379 | E376-A378 PolarHBondContact O-N 3.05Å; E376-S379 PolarHBondContact O-OG 3.19Å |
| 377 | V | 42.8 | Very low | 45.2 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82.3 | -13.8 | -176 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 378 | A | 39.4 | Very low | 44 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 69% | 0.686 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.8 | -26.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | E376 | E376-A378 PolarHBondContact O-N 3.05Å |
| 379 | S | 41.8 | Very low | 43.3 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -90.2 | -22.5 | -172.3 | 57 | 0 | 0 | 0 | 0 | 114.2 | E376 | E376-S379 PolarHBondContact O-OG 3.19Å |
| 380 | I | 44.7 | Very low | 42.7 | Very low | 137 Ų | 137 | 119.6 Ų | 119.6 | 70% | 0.703 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -87.4 | -17.4 | 178.6 | -59.7 | 174.1 | 0 | 0 | 0 | 111.6 | N382 | I380-N382 PolarHBondContact O-N 3.39Å; I380-N382 VanDerWaalsContact O-N 3.13Å |
| 381 | S | 42.3 | Very low | 42.3 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 42% | 0.42 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -18.4 | -177.9 | -176.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 382 | N | 42.8 | Very low | 42.6 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 1.5 | -170.1 | -85.7 | -9.3 | 0 | 0 | 0 | 115.3 | I380 | I380-N382 PolarHBondContact O-N 3.39Å; I380-N382 VanDerWaalsContact O-N 3.13Å |
| 383 | R | 47.7 | Very low | 43 | Very low | 240 Ų | 240 | 125.5 Ų | 125.5 | 91% | 0.906 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -136.2 | 1.6 | -167.2 | -134.3 | 176.4 | 179.7 | -170.2 | -1 | 118.4 | ||
| 384 | M | 39.9 | Very low | 44.3 | Very low | 163 Ų | 163 | 122 Ų | 122 | 80% | 0.803 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -133.8 | 140.1 | 174.7 | -99.3 | 176.5 | 167.4 | 0 | 0 | 109.8 | T386 | M384-T386 WeakPolarHBondContact O-CB 3.46Å; M384-T386 WeakPolarHBondContact O-CG2 3.18Å; M384-T386 PolarHBondContact O-N 2.91Å; M384-T386 PolarHBondContact O-OG1 2.89Å |
| 385 | N | 37.6 | Very low | 45.3 | Very low | 177 Ų | 177 | 117.9 Ų | 117.9 | 95% | 0.947 | 63% | 0.625 | S | S | * | * | trans | -53.1 | 109.8 | -179.3 | -78.9 | -29 | 0 | 0 | 0 | 111.6 | ||||
| 386 | T | 41.9 | Very low | 46.5 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 38% | 0.38 | 60% | 0.597 | S | S | . | * | trans | -115.4 | 49.5 | -152.3 | 32.1 | 0 | 0 | 0 | 0 | 114.6 | M384 S390 | M384-T386 WeakPolarHBondContact O-CB 3.46Å; M384-T386 WeakPolarHBondContact O-CG2 3.18Å; M384-T386 PolarHBondContact O-N 2.91Å; M384-T386 PolarHBondContact O-OG1 2.89Å; T386-S390 WeakPolarHBondContact O-CB 3.33Å; T386-S390 PolarHBondContact O-OG 2.89Å | ||
| 387 | T | 49.2 | Very low | 47.9 | Very low | 119 Ų | 119 | 108 Ų | 108 | 73% | 0.73 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -99.1 | -26.5 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 388 | L | 41.7 | Very low | 49.3 | Very low | 88 Ų | 88 | 104.2 Ų | 104.2 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -104.2 | -50.3 | -179.7 | -101 | 155.3 | 0 | 0 | 0 | 112.7 | S390 R391 L517 V518 | L388-S390 VanDerWaalsContact C-N 3.26Å; L388-S390 PolarHBondContact O-N 2.87Å; L388-R391 WeakPolarHBondContact O-CB 3.48Å; L388-R391 PolarHBondContact O-N 2.85Å; L388-R391 VanDerWaalsContact O-N 3.09Å; L388-L517 VanDerWaalsContact CD1-O 3.25Å; L388-L517 WeakPolarHBondContact CD1-O 3.26Å; L388-L517 WeakPolarHBondContact CD2-O 3.27Å; L388-V518 WeakPolarHBondContact CD2-O 3.05Å |
| 389 | F | 44.4 | Very low | 51.1 | Low | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -67 | -24.6 | -177.9 | -130.8 | -102 | 0 | 0 | 0 | 113.9 | R391 L392 I398 | F389-R391 PolarHBondContact O-N 3.44Å; F389-L392 PolarHBondContact O-N 3.17Å; F389-I398 HydrophobicContact CD1-CD1 4.04Å; F389-I398 HydrophobicContact CE1-CD1 3.28Å; F389-I398 HydrophobicContact CE1-CG1 3.81Å; F389-I398 HydrophobicContact CE1-CG2 4.34Å; F389-I398 HydrophobicContact CZ-CB 4.4Å; F389-I398 HydrophobicContact CZ-CD1 3.76Å; F389-I398 HydrophobicContact CZ-CG1 3.77Å; F389-I398 HydrophobicContact CZ-CG2 3.69Å |
| 390 | S | 40.3 | Very low | 52.8 | Low | 72 Ų | 72 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -67.8 | -13.8 | 175.4 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | T386 L388 | T386-S390 WeakPolarHBondContact O-CB 3.33Å; T386-S390 PolarHBondContact O-OG 2.89Å; L388-S390 VanDerWaalsContact C-N 3.26Å; L388-S390 PolarHBondContact O-N 2.87Å |
| 391 | R | 45.5 | Very low | 54.4 | Low | 172 Ų | 172 | 96 Ų | 96 | 65% | 0.649 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -89.6 | -17.1 | 176.1 | -67.6 | -175.7 | 163.9 | -169.7 | -4.3 | 113.6 | L388 F389 K393 | L388-R391 WeakPolarHBondContact O-CB 3.48Å; L388-R391 PolarHBondContact O-N 2.85Å; L388-R391 VanDerWaalsContact O-N 3.09Å; F389-R391 PolarHBondContact O-N 3.44Å; R391-K393 PolarHBondContact O-N 3.21Å; R391-K393 VanDerWaalsContact O-N 3.16Å |
| 392 | L | 50.6 | Low | 56.4 | Low | 20 Ų | 20 | 96.6 Ų | 96.6 | 11% | 0.105 | 48% | 0.481 | C | S | . | . | trans | -83.6 | 90.3 | 175.6 | -77 | 157.1 | 0 | 0 | 0 | 109.1 | F389 S394 Q397 I398 I401 | F389-L392 PolarHBondContact O-N 3.17Å; L392-S394 PolarHBondContact O-N 3.26Å; L392-S394 VanDerWaalsContact O-N 3.13Å; L392-Q397 HydrophobicContact CD2-CB 3.54Å; L392-I398 HydrophobicContact CB-CD1 4.4Å; L392-I398 HydrophobicContact CB-CG1 3.92Å; L392-I398 HydrophobicContact CD1-CG1 4.14Å; L392-I398 HydrophobicContact CG-CG1 4.47Å; L392-I401 HydrophobicContact CD1-CD1 4.15Å; L392-I401 HydrophobicContact CD2-CD1 3.42Å; L392-I401 VanDerWaalsContact CD2-CD1 3.42Å; L392-I401 HydrophobicContact CG-CD1 4.39Å | ||
| 393 | K | 53.9 | Low | 58.5 | Low | 196 Ų | 196 | 91.7 Ų | 91.7 | 85% | 0.852 | 46% | 0.455 | S | S | * | . | trans | -73.6 | -3.2 | -165.2 | -134.5 | 177.6 | -176.4 | -178.3 | 0 | 114.5 | R391 Q397 | R391-K393 PolarHBondContact O-N 3.21Å; R391-K393 VanDerWaalsContact O-N 3.16Å; K393-Q397 VanDerWaalsContact N-OE1 3.1Å | ||
| 394 | S | 62 | Low | 60.3 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 24% | 0.238 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -151.4 | 140.3 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | L392 D396 Q397 | L392-S394 PolarHBondContact O-N 3.26Å; L392-S394 VanDerWaalsContact O-N 3.13Å; S394-D396 PolarHBondContact O-N 3.43Å; S394-D396 VanDerWaalsContact O-N 3.08Å; S394-Q397 WeakPolarHBondContact O-CB 3.42Å; S394-Q397 PolarHBondContact O-N 3.32Å; S394-Q397 WeakPolarHBondContact OG-CG 3.4Å |
| 395 | V | 65.5 | Low | 62.7 | Low | 94 Ų | 94 | 74.5 Ų | 74.5 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -48 | -36.6 | 174.2 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | Q397 I398 L399 | V395-Q397 VanDerWaalsContact C-N 3.31Å; V395-Q397 PolarHBondContact O-N 3Å; V395-I398 PolarHBondContact O-N 3.02Å; V395-L399 PolarHBondContact O-N 2.79Å |
| 396 | D | 64.9 | Low | 65.3 | Low | 28 Ų | 28 | 71.2 Ų | 71.2 | 15% | 0.15 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 176.8 | -62.4 | -41.9 | 0 | 0 | 0 | 114.1 | H367 Q370 S394 L400 | H367-D396 VanDerWaalsContact CD2-CG 3.5Å; H367-D396 IonicContact CD2-OD1 3.62Å; H367-D396 PolarHBondContact CD2-OD1 2.97Å; H367-D396 IonicContact CD2-OD2 3.7Å; H367-D396 PolarHBondContact CD2-OD2 3.39Å; H367-D396 IonicContact NE2-OD2 3.75Å; H367-D396 PolarHBondContact NE2-OD2 3.48Å; Q370-D396 PolarHBondContact NE2-OD1 2.7Å; Q370-D396 PolarHBondContact OE1-OD1 3.44Å; S394-D396 PolarHBondContact O-N 3.43Å; S394-D396 VanDerWaalsContact O-N 3.08Å; D396-L400 WeakPolarHBondContact O-CB 3.38Å; D396-L400 WeakPolarHBondContact O-CD1 3.32Å; D396-L400 WeakPolarHBondContact O-CG 3.27Å; D396-L400 PolarHBondContact O-N 2.86Å |
| 397 | Q | 67.6 | Low | 67.7 | Low | 22 Ų | 22 | 68.4 Ų | 68.4 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.3 | -40.1 | -179.6 | -73.3 | 170.9 | -15.9 | 0 | 0 | 111.1 | L392 K393 S394 V395 L399 L400 I401 | L392-Q397 HydrophobicContact CD2-CB 3.54Å; K393-Q397 VanDerWaalsContact N-OE1 3.1Å; S394-Q397 WeakPolarHBondContact O-CB 3.42Å; S394-Q397 PolarHBondContact O-N 3.32Å; S394-Q397 WeakPolarHBondContact OG-CG 3.4Å; V395-Q397 VanDerWaalsContact C-N 3.31Å; V395-Q397 PolarHBondContact O-N 3Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L400 PolarHBondContact O-N 3.33Å; Q397-I401 WeakPolarHBondContact O-CB 3.36Å; Q397-I401 VanDerWaalsContact O-CG1 3.32Å; Q397-I401 WeakPolarHBondContact O-CG1 3.22Å; Q397-I401 PolarHBondContact O-N 2.89Å |
| 398 | I | 71.4 | Confident | 69.7 | Low | 44 Ų | 44 | 62.7 Ų | 62.7 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.8 | -65.2 | 156.1 | 0 | 0 | 0 | 109.2 | F389 L392 V395 L400 I401 M402 | F389-I398 HydrophobicContact CD1-CD1 4.04Å; F389-I398 HydrophobicContact CE1-CD1 3.28Å; F389-I398 HydrophobicContact CE1-CG1 3.81Å; F389-I398 HydrophobicContact CE1-CG2 4.34Å; F389-I398 HydrophobicContact CZ-CB 4.4Å; F389-I398 HydrophobicContact CZ-CD1 3.76Å; F389-I398 HydrophobicContact CZ-CG1 3.77Å; F389-I398 HydrophobicContact CZ-CG2 3.69Å; L392-I398 HydrophobicContact CB-CD1 4.4Å; L392-I398 HydrophobicContact CB-CG1 3.92Å; L392-I398 HydrophobicContact CD1-CG1 4.14Å; L392-I398 HydrophobicContact CG-CG1 4.47Å; V395-I398 PolarHBondContact O-N 3.02Å; I398-L400 PolarHBondContact O-N 2.72Å; I398-I401 PolarHBondContact O-N 3.41Å; I398-M402 HydrophobicContact CG2-CG 4.2Å; I398-M402 WeakPolarHBondContact O-CB 3.39Å; I398-M402 VanDerWaalsContact O-CG 3.24Å; I398-M402 WeakPolarHBondContact O-CG 3.47Å; I398-M402 PolarHBondContact O-N 3.41Å |
| 399 | L | 77.2 | Confident | 72.2 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.2 | -176.9 | 65.6 | 0 | 0 | 0 | 112.4 | V395 Q397 L403 | V395-L399 PolarHBondContact O-N 2.79Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; L399-L403 WeakPolarHBondContact O-CB 3.42Å; L399-L403 PolarHBondContact O-N 3.21Å |
| 400 | L | 78.2 | Confident | 74.6 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 177.8 | -72.1 | 164.4 | 0 | 0 | 0 | 111.7 | M363 D396 Q397 I398 L403 V404 I449 V453 | M363-L400 HydrophobicContact CE-CD2 3.39Å; D396-L400 WeakPolarHBondContact O-CB 3.38Å; D396-L400 WeakPolarHBondContact O-CD1 3.32Å; D396-L400 WeakPolarHBondContact O-CG 3.27Å; D396-L400 PolarHBondContact O-N 2.86Å; Q397-L400 PolarHBondContact O-N 3.33Å; I398-L400 PolarHBondContact O-N 2.72Å; L400-L403 PolarHBondContact O-N 3.37Å; L400-V404 WeakPolarHBondContact O-CG2 3.48Å; L400-V404 PolarHBondContact O-N 3.19Å; L400-I449 HydrophobicContact CB-CG2 4.2Å; L400-I449 HydrophobicContact CD2-CG1 4.45Å; L400-I449 HydrophobicContact CD2-CG2 3.82Å; L400-V453 HydrophobicContact CB-CG2 4.28Å; L400-V453 HydrophobicContact CD1-CG2 4.12Å |
| 401 | I | 78.7 | Confident | 77.1 | Confident | 24 Ų | 24 | 55 Ų | 55 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 178.6 | -70.9 | 175.4 | 0 | 0 | 0 | 111.1 | L392 Q397 I398 L403 V404 F405 V515 V518 | L392-I401 HydrophobicContact CD1-CD1 4.15Å; L392-I401 HydrophobicContact CD2-CD1 3.42Å; L392-I401 VanDerWaalsContact CD2-CD1 3.42Å; L392-I401 HydrophobicContact CG-CD1 4.39Å; Q397-I401 WeakPolarHBondContact O-CB 3.36Å; Q397-I401 VanDerWaalsContact O-CG1 3.32Å; Q397-I401 WeakPolarHBondContact O-CG1 3.22Å; Q397-I401 PolarHBondContact O-N 2.89Å; I398-I401 PolarHBondContact O-N 3.41Å; I401-L403 VanDerWaalsContact C-N 3.3Å; I401-L403 PolarHBondContact O-N 3Å; I401-V404 WeakPolarHBondContact O-CB 3.28Å; I401-V404 PolarHBondContact O-N 3.45Å; I401-V404 VanDerWaalsContact O-N 3.14Å; I401-F405 PolarHBondContact O-N 3.1Å; I401-V515 HydrophobicContact CG2-CG1 3.69Å; I401-V518 HydrophobicContact CD1-CG1 4.47Å |
| 402 | M | 83.8 | Confident | 79.5 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.9 | -70 | -56.5 | -60.7 | 0 | 0 | 111.7 | I398 V404 F405 F406 | I398-M402 HydrophobicContact CG2-CG 4.2Å; I398-M402 WeakPolarHBondContact O-CB 3.39Å; I398-M402 VanDerWaalsContact O-CG 3.24Å; I398-M402 WeakPolarHBondContact O-CG 3.47Å; I398-M402 PolarHBondContact O-N 3.41Å; M402-V404 VanDerWaalsContact C-N 3.32Å; M402-F405 HydrophobicContact CE-CD1 4.47Å; M402-F405 WeakPolarHBondContact O-CB 3.3Å; M402-F405 PolarHBondContact O-N 3.47Å; M402-F406 HydrophobicContact CE-CD2 4.29Å; M402-F406 HydrophobicContact CE-CE2 3.52Å; M402-F406 HydrophobicContact CE-CZ 4.06Å; M402-F406 WeakPolarHBondContact O-CD2 3.34Å; M402-F406 PolarHBondContact O-N 3.16Å |
| 403 | L | 85.7 | Confident | 81.6 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | 175.6 | -175.4 | 63 | 0 | 0 | 0 | 112.1 | M363 L399 L400 I401 G407 F445 Q446 I449 | M363-L403 HydrophobicContact CE-CD2 3.31Å; M363-L403 HydrophobicContact CG-CD2 4.44Å; M363-L403 HydrophobicContact SD-CD2 3.31Å; M363-L403 WeakPolarHBondContact SD-CD2 3.26Å; L399-L403 WeakPolarHBondContact O-CB 3.42Å; L399-L403 PolarHBondContact O-N 3.21Å; L400-L403 PolarHBondContact O-N 3.37Å; I401-L403 VanDerWaalsContact C-N 3.3Å; I401-L403 PolarHBondContact O-N 3Å; L403-G407 PolarHBondContact O-N 2.97Å; L403-F445 HydrophobicContact CD1-CE2 3.92Å; L403-F445 HydrophobicContact CD1-CZ 4.14Å; L403-F445 HydrophobicContact CD2-CD2 4.44Å; L403-F445 HydrophobicContact CD2-CE2 4.13Å; L403-F445 HydrophobicContact CG-CD2 4.48Å; L403-F445 HydrophobicContact CG-CE2 3.78Å; L403-F445 HydrophobicContact CG-CZ 4.48Å; L403-Q446 PolarHBondContact O-NE2 3.31Å; L403-Q446 VanDerWaalsContact O-NE2 3.13Å; L403-I449 HydrophobicContact CD2-CD1 3.44Å; L403-I449 VanDerWaalsContact CD2-CD1 3.44Å; L403-I449 HydrophobicContact CG-CD1 3.93Å |
| 404 | V | 86.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -49.1 | 171.8 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L400 I401 M402 F406 G407 F408 Q446 I449 L450 V515 | L400-V404 WeakPolarHBondContact O-CG2 3.48Å; L400-V404 PolarHBondContact O-N 3.19Å; I401-V404 WeakPolarHBondContact O-CB 3.28Å; I401-V404 PolarHBondContact O-N 3.45Å; I401-V404 VanDerWaalsContact O-N 3.14Å; M402-V404 VanDerWaalsContact C-N 3.32Å; V404-F406 PolarHBondContact O-N 3.43Å; V404-G407 PolarHBondContact O-N 3.39Å; V404-F408 HydrophobicContact CG1-CD2 3.89Å; V404-F408 HydrophobicContact CG1-CE2 3.38Å; V404-F408 HydrophobicContact CG1-CZ 3.87Å; V404-F408 PolarHBondContact O-N 2.95Å; V404-Q446 PolarHBondContact O-OE1 3.12Å; V404-I449 HydrophobicContact CG2-CB 4.2Å; V404-I449 HydrophobicContact CG2-CG2 3.57Å; V404-L450 HydrophobicContact CG1-CD2 4.42Å; V404-L450 HydrophobicContact CG2-CG 4.41Å; V404-V515 HydrophobicContact CG1-CG1 4.3Å; V404-V515 HydrophobicContact CG1-CG2 3.93Å |
| 405 | F | 90.6 | Very high | 85.1 | Confident | 35 Ų | 35 | 39 Ų | 39 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.1 | -56.1 | 177.1 | 174.7 | -98.9 | 0 | 0 | 0 | 112.4 | I401 M402 G407 F408 I409 A512 V515 L516 | I401-F405 PolarHBondContact O-N 3.1Å; M402-F405 HydrophobicContact CE-CD1 4.47Å; M402-F405 WeakPolarHBondContact O-CB 3.3Å; M402-F405 PolarHBondContact O-N 3.47Å; F405-G407 VanDerWaalsContact C-N 3.28Å; F405-G407 PolarHBondContact O-N 2.95Å; F405-F408 PolarHBondContact O-N 2.95Å; F405-I409 HydrophobicContact CE1-CG1 4.31Å; F405-I409 HydrophobicContact CZ-CG1 4.2Å; F405-I409 PolarHBondContact O-N 3.4Å; F405-A512 HydrophobicContact CD2-CB 4.04Å; F405-A512 WeakPolarHBondContact CD2-O 3.25Å; F405-A512 HydrophobicContact CE2-CB 4Å; F405-A512 WeakPolarHBondContact CE2-O 3.42Å; F405-V515 HydrophobicContact CB-CG1 3.89Å; F405-L516 HydrophobicContact CD2-CB 4.2Å; F405-L516 HydrophobicContact CE2-CB 4.01Å; F405-L516 HydrophobicContact CE2-CD1 4.39Å; F405-L516 HydrophobicContact CE2-CD2 4.41Å |
| 406 | F | 91.4 | Very high | 86.5 | Confident | 108 Ų | 108 | 37.2 Ų | 37.2 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 179.9 | -76.9 | -62.9 | 0 | 0 | 0 | 112.2 | M402 V404 I409 I410 | M402-F406 HydrophobicContact CE-CD2 4.29Å; M402-F406 HydrophobicContact CE-CE2 3.52Å; M402-F406 HydrophobicContact CE-CZ 4.06Å; M402-F406 WeakPolarHBondContact O-CD2 3.34Å; M402-F406 PolarHBondContact O-N 3.16Å; V404-F406 PolarHBondContact O-N 3.43Å; F406-I409 PolarHBondContact O-N 3.27Å; F406-I410 WeakPolarHBondContact O-CB 3.43Å; F406-I410 VanDerWaalsContact O-CG1 3.22Å; F406-I410 WeakPolarHBondContact O-CG1 3.42Å; F406-I410 PolarHBondContact O-N 3.41Å |
| 407 | G | 91.7 | Very high | 88 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L403 V404 F405 I410 F411 V442 | L403-G407 PolarHBondContact O-N 2.97Å; V404-G407 PolarHBondContact O-N 3.39Å; F405-G407 VanDerWaalsContact C-N 3.28Å; F405-G407 PolarHBondContact O-N 2.95Å; G407-I410 PolarHBondContact O-N 3.33Å; G407-F411 VanDerWaalsContact O-CB 3.22Å; G407-F411 WeakPolarHBondContact O-CB 3.42Å; G407-F411 PolarHBondContact O-N 2.88Å; G407-V442 WeakPolarHBondContact O-CG2 3.45Å |
| 408 | F | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 173 | -69.7 | -35.2 | 0 | 0 | 0 | 112.6 | I310 F314 V404 F405 F411 S412 Q446 L450 E511 A512 V515 | I310-F408 HydrophobicContact CG2-CE2 3.61Å; I310-F408 HydrophobicContact CG2-CZ 3.61Å; F314-F408 HydrophobicContact CB-CE1 4.43Å; F314-F408 HydrophobicContact CD2-CD1 4.03Å; F314-F408 AromaticContact CD2-CE1 3.38Å; F314-F408 HydrophobicContact CD2-CE1 3.38Å; F314-F408 HydrophobicContact CD2-CZ 4.26Å; F314-F408 HydrophobicContact CE2-CD1 4.13Å; F314-F408 AromaticContact CE2-CE1 3.71Å; F314-F408 HydrophobicContact CE2-CE1 3.71Å; F314-F408 HydrophobicContact CG-CE1 4.02Å; V404-F408 HydrophobicContact CG1-CD2 3.89Å; V404-F408 HydrophobicContact CG1-CE2 3.38Å; V404-F408 HydrophobicContact CG1-CZ 3.87Å; V404-F408 PolarHBondContact O-N 2.95Å; F405-F408 PolarHBondContact O-N 2.95Å; F408-F411 PolarHBondContact O-N 3.14Å; F408-S412 PolarHBondContact O-N 2.78Å; F408-Q446 HydrophobicContact CE1-CG 4.47Å; F408-L450 HydrophobicContact CZ-CD1 4.12Å; F408-E511 HydrophobicContact CD2-CB 3.96Å; F408-E511 HydrophobicContact CE2-CB 4.07Å; F408-E511 HydrophobicContact CG-CB 4.33Å; F408-A512 HydrophobicContact CB-CB 3.91Å; F408-V515 HydrophobicContact CD2-CG2 3.91Å; F408-V515 HydrophobicContact CE2-CG2 3.68Å |
| 409 | I | 94.1 | Very high | 90.2 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 31% | 0.308 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.1 | -62 | -60.6 | 0 | 0 | 0 | 111.6 | F405 F406 F411 S412 I413 A512 | F405-I409 HydrophobicContact CE1-CG1 4.31Å; F405-I409 HydrophobicContact CZ-CG1 4.2Å; F405-I409 PolarHBondContact O-N 3.4Å; F406-I409 PolarHBondContact O-N 3.27Å; I409-F411 VanDerWaalsContact C-N 3.32Å; I409-F411 PolarHBondContact O-N 3.4Å; I409-S412 PolarHBondContact O-N 2.69Å; I409-S412 PolarHBondContact O-OG 3Å; I409-I413 WeakPolarHBondContact O-CG1 3.01Å; I409-I413 PolarHBondContact O-N 2.78Å; I409-A512 HydrophobicContact CD1-CB 3.55Å; I409-A512 HydrophobicContact CG1-CB 3.99Å |
| 410 | I | 94.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 33.3 Ų | 33.3 | 34% | 0.338 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.8 | -65.8 | 165.9 | 0 | 0 | 0 | 110.4 | F406 G407 I413 H414 P439 V442 | F406-I410 WeakPolarHBondContact O-CB 3.43Å; F406-I410 VanDerWaalsContact O-CG1 3.22Å; F406-I410 WeakPolarHBondContact O-CG1 3.42Å; F406-I410 PolarHBondContact O-N 3.41Å; G407-I410 PolarHBondContact O-N 3.33Å; I410-I413 WeakPolarHBondContact O-CB 3.27Å; I410-I413 PolarHBondContact O-N 3.06Å; I410-H414 PolarHBondContact O-N 3.27Å; I410-P439 HydrophobicContact CG2-CB 3.65Å; I410-P439 WeakPolarHBondContact CG2-O 3.48Å; I410-P439 WeakPolarHBondContact O-CB 3.22Å; I410-V442 HydrophobicContact CB-CG1 4.02Å; I410-V442 HydrophobicContact CB-CG2 4.11Å; I410-V442 HydrophobicContact CD1-CG1 4.16Å; I410-V442 HydrophobicContact CG2-CB 4.45Å; I410-V442 HydrophobicContact CG2-CG1 3.58Å; I410-V442 HydrophobicContact CG2-CG2 4.03Å |
| 411 | F | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.7 | -33.8 | 176.8 | -172.3 | -114.9 | 0 | 0 | 0 | 112.6 | F314 G407 F408 I409 I413 H414 Q415 R440 V442 K443 T508 | F314-F411 HydrophobicContact CE2-CD1 4.01Å; F314-F411 HydrophobicContact CE2-CE1 4.04Å; G407-F411 VanDerWaalsContact O-CB 3.22Å; G407-F411 WeakPolarHBondContact O-CB 3.42Å; G407-F411 PolarHBondContact O-N 2.88Å; F408-F411 PolarHBondContact O-N 3.14Å; I409-F411 VanDerWaalsContact C-N 3.32Å; I409-F411 PolarHBondContact O-N 3.4Å; F411-I413 VanDerWaalsContact C-N 3.31Å; F411-I413 PolarHBondContact O-N 3.21Å; F411-H414 AromaticContact CE2-CD2 3.77Å; F411-H414 WeakPolarHBondContact O-CB 3.34Å; F411-H414 PolarHBondContact O-N 3.06Å; F411-Q415 PolarHBondContact O-N 3.44Å; F411-R440 HydrophobicContact CE2-CG 4.15Å; F411-V442 HydrophobicContact CB-CG2 3.9Å; F411-K443 HydrophobicContact CD2-CB 4Å; F411-K443 HydrophobicContact CD2-CG 4.34Å; F411-K443 HydrophobicContact CE2-CB 3.96Å; F411-K443 HydrophobicContact CE2-CD 3.86Å; F411-K443 HydrophobicContact CE2-CG 3.92Å; F411-K443 HydrophobicContact CZ-CD 4.15Å; F411-K443 HydrophobicContact CZ-CG 4.29Å; F411-T508 HydrophobicContact CD1-CG2 3.66Å; F411-T508 HydrophobicContact CE1-CG2 3.9Å |
| 412 | S | 94.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 173.3 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | F408 I409 H414 Q415 I416 T508 | F408-S412 PolarHBondContact O-N 2.78Å; I409-S412 PolarHBondContact O-N 2.69Å; I409-S412 PolarHBondContact O-OG 3Å; S412-H414 VanDerWaalsContact C-N 3.34Å; S412-H414 PolarHBondContact O-N 2.72Å; S412-Q415 PolarHBondContact O-N 3.48Å; S412-I416 VanDerWaalsContact O-CG1 3.3Å; S412-I416 WeakPolarHBondContact O-CG1 3.37Å; S412-I416 PolarHBondContact O-N 3.38Å; S412-T508 WeakPolarHBondContact CB-OG1 3.14Å |
| 413 | I | 95.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 32.2 Ų | 32.2 | 39% | 0.39 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 172.5 | -65 | 167.5 | 0 | 0 | 0 | 110.8 | I409 I410 F411 Q415 I416 I417 P439 | I409-I413 WeakPolarHBondContact O-CG1 3.01Å; I409-I413 PolarHBondContact O-N 2.78Å; I410-I413 WeakPolarHBondContact O-CB 3.27Å; I410-I413 PolarHBondContact O-N 3.06Å; F411-I413 VanDerWaalsContact C-N 3.31Å; F411-I413 PolarHBondContact O-N 3.21Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 3.13Å; I413-I416 PolarHBondContact O-N 3.23Å; I413-I417 HydrophobicContact CG2-CD1 3.71Å; I413-I417 HydrophobicContact CG2-CG1 4.26Å; I413-I417 VanDerWaalsContact O-CG1 3.28Å; I413-I417 WeakPolarHBondContact O-CG1 3.39Å; I413-I417 PolarHBondContact O-N 3.44Å; I413-P439 HydrophobicContact CG2-CG 4.16Å |
| 414 | H | 93.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.5 | -49.9 | 173.7 | 156.2 | 71.9 | 0 | 0 | 0 | 111.5 | D321 I410 F411 S412 I416 I417 M418 A436 P439 R440 | D321-H414 IonicContact OD1-NE2 3.27Å; D321-H414 PolarHBondContact OD1-NE2 3.33Å; D321-H414 IonicContact OD2-NE2 3.81Å; I410-H414 PolarHBondContact O-N 3.27Å; F411-H414 AromaticContact CE2-CD2 3.77Å; F411-H414 WeakPolarHBondContact O-CB 3.34Å; F411-H414 PolarHBondContact O-N 3.06Å; S412-H414 VanDerWaalsContact C-N 3.34Å; S412-H414 PolarHBondContact O-N 2.72Å; H414-I416 PolarHBondContact O-N 3.47Å; H414-I417 PolarHBondContact O-N 3.47Å; H414-M418 VanDerWaalsContact CE1-CG 3.43Å; H414-M418 WeakPolarHBondContact CE1-CG 3.33Å; H414-M418 WeakPolarHBondContact O-CG 3.47Å; H414-M418 PolarHBondContact O-N 2.93Å; H414-A436 PolarHBondContact ND1-O 3.41Å; H414-P439 HydrophobicContact CB-CB 3.99Å; H414-R440 HydrophobicContact CB-CB 4.25Å |
| 415 | Q | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | -179 | -67.3 | 171.8 | -36.3 | 0 | 0 | 111.2 | S317 F411 S412 I413 I417 M418 G419 F501 C504 T508 | S317-Q415 PolarHBondContact O-NE2 2.88Å; F411-Q415 PolarHBondContact O-N 3.44Å; S412-Q415 PolarHBondContact O-N 3.48Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 3.13Å; Q415-I417 PolarHBondContact O-N 2.91Å; Q415-M418 PolarHBondContact O-N 3.05Å; Q415-G419 PolarHBondContact O-N 3.38Å; Q415-F501 VanDerWaalsContact O-CB 3.23Å; Q415-F501 WeakPolarHBondContact O-CB 3.39Å; Q415-C504 PolarHBondContact OE1-O 3.38Å; Q415-T508 PolarHBondContact OE1-OG1 3.21Å |
| 416 | I | 95.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.8 | -67.5 | 164.3 | 0 | 0 | 0 | 111.4 | S412 I413 H414 M418 G419 I420 F502 | S412-I416 VanDerWaalsContact O-CG1 3.3Å; S412-I416 WeakPolarHBondContact O-CG1 3.37Å; S412-I416 PolarHBondContact O-N 3.38Å; I413-I416 PolarHBondContact O-N 3.23Å; H414-I416 PolarHBondContact O-N 3.47Å; I416-M418 VanDerWaalsContact C-N 3.34Å; I416-M418 PolarHBondContact O-N 3.16Å; I416-G419 PolarHBondContact O-N 3.18Å; I416-I420 HydrophobicContact CG2-CD1 3.78Å; I416-I420 WeakPolarHBondContact O-CG1 3.38Å; I416-I420 PolarHBondContact O-N 2.99Å; I416-F502 HydrophobicContact CG2-CE1 4.25Å |
| 417 | I | 95.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 39.7 Ų | 39.7 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 178 | -61.9 | 167.8 | 0 | 0 | 0 | 110.2 | I413 H414 Q415 G419 I420 A421 L432 A436 P439 | I413-I417 HydrophobicContact CG2-CD1 3.71Å; I413-I417 HydrophobicContact CG2-CG1 4.26Å; I413-I417 VanDerWaalsContact O-CG1 3.28Å; I413-I417 WeakPolarHBondContact O-CG1 3.39Å; I413-I417 PolarHBondContact O-N 3.44Å; H414-I417 PolarHBondContact O-N 3.47Å; Q415-I417 PolarHBondContact O-N 2.91Å; I417-G419 VanDerWaalsContact C-N 3.35Å; I417-G419 PolarHBondContact O-N 2.64Å; I417-I420 PolarHBondContact O-N 3.34Å; I417-A421 PolarHBondContact O-N 3.42Å; I417-L432 HydrophobicContact CG2-CB 4.3Å; I417-L432 HydrophobicContact CG2-CD2 4.3Å; I417-L432 WeakPolarHBondContact CG2-O 3.2Å; I417-A436 HydrophobicContact CB-CB 3.88Å; I417-A436 HydrophobicContact CG2-CB 3.69Å; I417-P439 HydrophobicContact CD1-CG 4.43Å |
| 418 | M | 93.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 175.7 | -76.9 | -59.2 | -66 | 0 | 0 | 112.2 | L325 Y328 H414 Q415 I416 I420 A421 V433 A436 F501 | L325-M418 HydrophobicContact CD1-CE 3.49Å; L325-M418 VanDerWaalsContact CD1-CE 3.49Å; Y328-M418 HydrophobicContact CD1-CE 4.08Å; Y328-M418 HydrophobicContact CE1-CE 3.91Å; Y328-M418 PolarHBondContact OH-O 3.34Å; H414-M418 VanDerWaalsContact CE1-CG 3.43Å; H414-M418 WeakPolarHBondContact CE1-CG 3.33Å; H414-M418 WeakPolarHBondContact O-CG 3.47Å; H414-M418 PolarHBondContact O-N 2.93Å; Q415-M418 PolarHBondContact O-N 3.05Å; I416-M418 VanDerWaalsContact C-N 3.34Å; I416-M418 PolarHBondContact O-N 3.16Å; M418-I420 PolarHBondContact O-N 2.79Å; M418-A421 WeakPolarHBondContact O-CB 3.24Å; M418-A421 PolarHBondContact O-N 2.99Å; M418-V433 HydrophobicContact CE-CG1 4.38Å; M418-V433 HydrophobicContact CE-CG2 4.36Å; M418-V433 HydrophobicContact SD-CB 4.38Å; M418-V433 HydrophobicContact SD-CG1 4.19Å; M418-V433 HydrophobicContact SD-CG2 4.25Å; M418-A436 HydrophobicContact CG-CB 3.66Å; M418-A436 HydrophobicContact SD-CB 3.63Å; M418-F501 HydrophobicContact CB-CB 4.46Å; M418-F501 HydrophobicContact CB-CD1 3.4Å; M418-F501 VanDerWaalsContact CB-CD1 3.4Å; M418-F501 HydrophobicContact CB-CD2 3.76Å; M418-F501 HydrophobicContact CB-CE1 3.41Å; M418-F501 VanDerWaalsContact CB-CE1 3.41Å; M418-F501 HydrophobicContact CB-CE2 3.77Å; M418-F501 HydrophobicContact CB-CG 3.6Å; M418-F501 HydrophobicContact CB-CZ 3.62Å; M418-F501 HydrophobicContact CE-CE1 3.97Å; M418-F501 HydrophobicContact CE-CE2 4.02Å; M418-F501 HydrophobicContact CE-CZ 3.39Å; M418-F501 HydrophobicContact CG-CD1 4.17Å; M418-F501 HydrophobicContact CG-CE1 3.81Å; M418-F501 HydrophobicContact CG-CZ 4.11Å |
| 419 | G | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | Q415 I416 I417 S422 | Q415-G419 PolarHBondContact O-N 3.38Å; I416-G419 PolarHBondContact O-N 3.18Å; I417-G419 VanDerWaalsContact C-N 3.35Å; I417-G419 PolarHBondContact O-N 2.64Å; G419-S422 PolarHBondContact O-OG 3.46Å |
| 420 | I | 94.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 33% | 0.328 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.2 | -28.9 | 178.6 | -65.9 | 170.8 | 0 | 0 | 0 | 111.8 | I416 I417 M418 S422 T423 F424 F502 | I416-I420 HydrophobicContact CG2-CD1 3.78Å; I416-I420 WeakPolarHBondContact O-CG1 3.38Å; I416-I420 PolarHBondContact O-N 2.99Å; I417-I420 PolarHBondContact O-N 3.34Å; M418-I420 PolarHBondContact O-N 2.79Å; I420-S422 PolarHBondContact O-N 3.2Å; I420-T423 PolarHBondContact O-N 3.17Å; I420-T423 PolarHBondContact O-OG1 3.27Å; I420-F424 HydrophobicContact CG2-CD2 4.18Å; I420-F424 HydrophobicContact CG2-CE2 3.58Å; I420-F502 HydrophobicContact CD1-CZ 4.4Å; I420-F502 HydrophobicContact CG1-CE1 4.47Å; I420-F502 HydrophobicContact CG1-CE2 4.47Å; I420-F502 HydrophobicContact CG1-CZ 3.66Å |
| 421 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.5 | -33.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F334 I417 M418 T423 F424 A429 L432 V433 | F334-A421 HydrophobicContact CE1-CB 4.23Å; F334-A421 HydrophobicContact CZ-CB 3.86Å; I417-A421 PolarHBondContact O-N 3.42Å; M418-A421 WeakPolarHBondContact O-CB 3.24Å; M418-A421 PolarHBondContact O-N 2.99Å; A421-T423 PolarHBondContact O-N 2.87Å; A421-F424 PolarHBondContact O-N 3.37Å; A421-A429 WeakPolarHBondContact O-CB 3.02Å; A421-L432 HydrophobicContact CB-CB 3.79Å; A421-L432 HydrophobicContact CB-CD1 4.48Å; A421-V433 HydrophobicContact CB-CG2 3.93Å |
| 422 | S | 91.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.8 | 179.2 | 58 | 0 | 0 | 0 | 0 | 115.2 | Y328 G419 I420 G498 | Y328-S422 WeakPolarHBondContact OH-CB 3.47Å; Y328-S422 PolarHBondContact OH-N 3.18Å; Y328-S422 PolarHBondContact OH-OG 3.46Å; G419-S422 PolarHBondContact O-OG 3.46Å; I420-S422 PolarHBondContact O-N 3.2Å; S422-G498 PolarHBondContact OG-N 3.23Å |
| 423 | T | 92.3 | Very high | 93.7 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18.8 | 178.8 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | I420 A421 F496 | I420-T423 PolarHBondContact O-N 3.17Å; I420-T423 PolarHBondContact O-OG1 3.27Å; A421-T423 PolarHBondContact O-N 2.87Å; T423-F496 HydrophobicContact CG2-CD2 4.42Å; T423-F496 HydrophobicContact CG2-CE2 3.33Å; T423-F496 HydrophobicContact CG2-CZ 3.74Å |
| 424 | F | 93.2 | Very high | 93.7 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 40% | 0.395 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -91.5 | 157.2 | -179.9 | -70.8 | -88.1 | 0 | 0 | 0 | 111.2 | P333 I420 A421 T428 A429 L432 | P333-F424 VanDerWaalsContact CG-O 3.26Å; P333-F424 WeakPolarHBondContact CG-O 3.27Å; I420-F424 HydrophobicContact CG2-CD2 4.18Å; I420-F424 HydrophobicContact CG2-CE2 3.58Å; A421-F424 PolarHBondContact O-N 3.37Å; F424-T428 HydrophobicContact CB-CG2 4.11Å; F424-T428 HydrophobicContact CD1-CG2 3.7Å; F424-T428 HydrophobicContact CE1-CG2 4.33Å; F424-T428 HydrophobicContact CG-CG2 3.97Å; F424-A429 HydrophobicContact CB-CB 4.31Å; F424-A429 WeakPolarHBondContact O-CB 3.38Å; F424-L432 HydrophobicContact CB-CD1 4.36Å; F424-L432 HydrophobicContact CD2-CD1 3.28Å; F424-L432 HydrophobicContact CE2-CD1 3.65Å; F424-L432 HydrophobicContact CG-CD1 3.88Å; F424-L432 HydrophobicContact CZ-CD1 4.49Å |
| 425 | T | 90.6 | Very high | 93.7 | Very high | 108 Ų | 108 | 49 Ų | 49 | 66% | 0.663 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 162.2 | 169.9 | 54.6 | 0 | 0 | 0 | 0 | 111 | T428 A429 | T425-T428 PolarHBondContact O-N 3.22Å; T425-T428 VanDerWaalsContact O-N 3.07Å; T425-A429 PolarHBondContact O-N 3.31Å |
| 426 | V | 89.1 | Confident | 93.6 | Very high | 73 Ų | 73 | 49 Ų | 49 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 136.3 | 171.1 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | P333 | P333-V426 WeakPolarHBondContact O-CG2 3.44Š|
| 427 | P | 93.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 47 Ų | 47 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.4 | -14.2 | 13 | 35 | -36 | 0 | 0 | 0 | 115.8 | A429 N430 I431 | P427-A429 VanDerWaalsContact C-N 3.29Å; P427-A429 PolarHBondContact O-N 2.85Å; P427-N430 PolarHBondContact O-N 3.48Å; P427-N430 VanDerWaalsContact O-N 3.12Å; P427-I431 PolarHBondContact O-N 3.18Å |
| 428 | T | 94.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.8 | -40.5 | -174 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | F424 T425 N430 I431 L432 | F424-T428 HydrophobicContact CB-CG2 4.11Å; F424-T428 HydrophobicContact CD1-CG2 3.7Å; F424-T428 HydrophobicContact CE1-CG2 4.33Å; F424-T428 HydrophobicContact CG-CG2 3.97Å; T425-T428 PolarHBondContact O-N 3.22Å; T425-T428 VanDerWaalsContact O-N 3.07Å; T428-N430 VanDerWaalsContact C-N 3.34Å; T428-N430 PolarHBondContact O-N 3.41Å; T428-I431 PolarHBondContact O-N 3.23Å; T428-L432 HydrophobicContact CG2-CD1 4.35Å; T428-L432 WeakPolarHBondContact O-CG 2.95Å; T428-L432 PolarHBondContact O-N 2.89Å |
| 429 | A | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.8 | -48.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P333 F334 A421 F424 T425 P427 I431 L432 V433 | P333-A429 HydrophobicContact CG-CB 3.99Å; F334-A429 HydrophobicContact CD1-CB 3.98Å; F334-A429 HydrophobicContact CE1-CB 3.58Å; F334-A429 HydrophobicContact CZ-CB 4.38Å; A421-A429 WeakPolarHBondContact O-CB 3.02Å; F424-A429 HydrophobicContact CB-CB 4.31Å; F424-A429 WeakPolarHBondContact O-CB 3.38Å; T425-A429 PolarHBondContact O-N 3.31Å; P427-A429 VanDerWaalsContact C-N 3.29Å; P427-A429 PolarHBondContact O-N 2.85Å; A429-I431 PolarHBondContact O-N 3.36Å; A429-L432 PolarHBondContact O-N 2.86Å; A429-V433 PolarHBondContact O-N 3.37Å |
| 430 | N | 94.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 179.2 | -72 | -23.7 | 0 | 0 | 0 | 111.5 | W336 P427 T428 L432 V433 Y434 | W336-N430 PolarHBondContact NE1-OD1 3.41Å; P427-N430 PolarHBondContact O-N 3.48Å; P427-N430 VanDerWaalsContact O-N 3.12Å; T428-N430 VanDerWaalsContact C-N 3.34Å; T428-N430 PolarHBondContact O-N 3.41Å; N430-L432 VanDerWaalsContact C-N 3.29Å; N430-L432 PolarHBondContact O-N 2.9Å; N430-V433 WeakPolarHBondContact O-CB 3.22Å; N430-V433 PolarHBondContact O-N 3.36Å; N430-Y434 WeakPolarHBondContact O-CD2 3.45Å; N430-Y434 PolarHBondContact O-N 3.44Å |
| 431 | I | 95.3 | Very high | 92.8 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 177.7 | -65.1 | 169.5 | 0 | 0 | 0 | 110.2 | P427 T428 A429 V433 Y434 C435 | P427-I431 PolarHBondContact O-N 3.18Å; T428-I431 PolarHBondContact O-N 3.23Å; A429-I431 PolarHBondContact O-N 3.36Å; I431-V433 VanDerWaalsContact C-N 3.35Å; I431-V433 PolarHBondContact O-N 3.31Å; I431-Y434 PolarHBondContact O-N 3.06Å; I431-C435 WeakPolarHBondContact O-CB 3.42Å; I431-C435 PolarHBondContact O-N 2.85Å; I431-C435 PolarHBondContact O-SG 2.83Å |
| 432 | L | 95.8 | Very high | 92.5 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.7 | -70.2 | 172.3 | 0 | 0 | 0 | 112.5 | I417 A421 F424 T428 A429 N430 C435 A436 | I417-L432 HydrophobicContact CG2-CB 4.3Å; I417-L432 HydrophobicContact CG2-CD2 4.3Å; I417-L432 WeakPolarHBondContact CG2-O 3.2Å; A421-L432 HydrophobicContact CB-CB 3.79Å; A421-L432 HydrophobicContact CB-CD1 4.48Å; F424-L432 HydrophobicContact CB-CD1 4.36Å; F424-L432 HydrophobicContact CD2-CD1 3.28Å; F424-L432 HydrophobicContact CE2-CD1 3.65Å; F424-L432 HydrophobicContact CG-CD1 3.88Å; F424-L432 HydrophobicContact CZ-CD1 4.49Å; T428-L432 HydrophobicContact CG2-CD1 4.35Å; T428-L432 WeakPolarHBondContact O-CG 2.95Å; T428-L432 PolarHBondContact O-N 2.89Å; A429-L432 PolarHBondContact O-N 2.86Å; N430-L432 VanDerWaalsContact C-N 3.29Å; N430-L432 PolarHBondContact O-N 2.9Å; L432-C435 PolarHBondContact O-N 3.4Å; L432-A436 WeakPolarHBondContact O-CB 3.37Å; L432-A436 PolarHBondContact O-N 3.36Å |
| 433 | V | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | L329 F334 W336 F344 M418 A421 A429 N430 I431 A436 T437 | L329-V433 HydrophobicContact CD2-CG1 3.87Å; L329-V433 HydrophobicContact CD2-CG2 4.08Å; F334-V433 HydrophobicContact CD1-CG2 4.11Å; F334-V433 HydrophobicContact CE1-CG2 3.41Å; F334-V433 VanDerWaalsContact CE1-CG2 3.41Å; F334-V433 HydrophobicContact CZ-CG2 3.84Å; W336-V433 HydrophobicContact CH2-CG1 3.77Å; W336-V433 HydrophobicContact CZ2-CG1 4.3Å; F344-V433 HydrophobicContact CE1-CG1 3.95Å; F344-V433 HydrophobicContact CE2-CG1 3.74Å; F344-V433 HydrophobicContact CZ-CG1 3.41Å; F344-V433 VanDerWaalsContact CZ-CG1 3.41Å; M418-V433 HydrophobicContact CE-CG1 4.38Å; M418-V433 HydrophobicContact CE-CG2 4.36Å; M418-V433 HydrophobicContact SD-CB 4.38Å; M418-V433 HydrophobicContact SD-CG1 4.19Å; M418-V433 HydrophobicContact SD-CG2 4.25Å; A421-V433 HydrophobicContact CB-CG2 3.93Å; A429-V433 PolarHBondContact O-N 3.37Å; N430-V433 WeakPolarHBondContact O-CB 3.22Å; N430-V433 PolarHBondContact O-N 3.36Å; I431-V433 VanDerWaalsContact C-N 3.35Å; I431-V433 PolarHBondContact O-N 3.31Å; V433-A436 PolarHBondContact O-N 3.47Å; V433-T437 PolarHBondContact O-N 3.37Å; V433-T437 PolarHBondContact O-OG1 3.08Å |
| 434 | Y | 94.3 | Very high | 91.6 | Very high | 117 Ų | 117 | 49 Ų | 49 | 46% | 0.459 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174.9 | -73.3 | -68.9 | 0 | 0 | 0 | 112.2 | W336 F344 N430 I431 A436 T437 | W336-Y434 HydrophobicContact CH2-CE2 4.32Å; W336-Y434 HydrophobicContact CZ2-CE2 4.22Å; F344-Y434 HydrophobicContact CD2-CD1 4.02Å; F344-Y434 AromaticContact CD2-CE1 3.72Å; F344-Y434 HydrophobicContact CD2-CE1 3.72Å; F344-Y434 HydrophobicContact CE2-CD1 4.02Å; F344-Y434 HydrophobicContact CE2-CE1 4.19Å; N430-Y434 WeakPolarHBondContact O-CD2 3.45Å; N430-Y434 PolarHBondContact O-N 3.44Å; I431-Y434 PolarHBondContact O-N 3.06Å; Y434-A436 VanDerWaalsContact C-N 3.31Å; Y434-A436 PolarHBondContact O-N 3.5Å; Y434-T437 VanDerWaalsContact O-CB 3.23Å; Y434-T437 WeakPolarHBondContact O-CB 2.88Å; Y434-T437 PolarHBondContact O-N 2.89Å; Y434-T437 VanDerWaalsContact O-N 3.08Å |
| 435 | C | 94.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | I431 L432 T437 I438 P439 | I431-C435 WeakPolarHBondContact O-CB 3.42Å; I431-C435 PolarHBondContact O-N 2.85Å; I431-C435 PolarHBondContact O-SG 2.83Å; L432-C435 PolarHBondContact O-N 3.4Å; C435-T437 PolarHBondContact O-N 3.44Å; C435-T437 VanDerWaalsContact O-N 3.17Å; C435-I438 PolarHBondContact O-N 2.98Å; C435-I438 VanDerWaalsContact O-N 3.16Å; C435-P439 VanDerWaalsContact O-CD 3.24Å; C435-P439 WeakPolarHBondContact O-CD 3.22Å |
| 436 | A | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -23.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H414 I417 M418 L432 V433 Y434 I438 P439 | H414-A436 PolarHBondContact ND1-O 3.41Å; I417-A436 HydrophobicContact CB-CB 3.88Å; I417-A436 HydrophobicContact CG2-CB 3.69Å; M418-A436 HydrophobicContact CG-CB 3.66Å; M418-A436 HydrophobicContact SD-CB 3.63Å; L432-A436 WeakPolarHBondContact O-CB 3.37Å; L432-A436 PolarHBondContact O-N 3.36Å; V433-A436 PolarHBondContact O-N 3.47Å; Y434-A436 VanDerWaalsContact C-N 3.31Å; Y434-A436 PolarHBondContact O-N 3.5Å; A436-I438 VanDerWaalsContact C-N 3.26Å; A436-I438 PolarHBondContact O-N 3.48Å; A436-P439 WeakPolarHBondContact O-CD 3.06Å |
| 437 | T | 91.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -27.4 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | F344 R348 V433 Y434 C435 R440 F441 | F344-T437 VanDerWaalsContact CE2-OG1 3.3Å; F344-T437 WeakPolarHBondContact CE2-OG1 3.22Å; F344-T437 WeakPolarHBondContact CZ-OG1 3.38Å; R348-T437 HydrophobicContact CB-CG2 3.88Å; R348-T437 HydrophobicContact CG-CG2 3.5Å; R348-T437 VanDerWaalsContact CG-CG2 3.5Å; V433-T437 PolarHBondContact O-N 3.37Å; V433-T437 PolarHBondContact O-OG1 3.08Å; Y434-T437 VanDerWaalsContact O-CB 3.23Å; Y434-T437 WeakPolarHBondContact O-CB 2.88Å; Y434-T437 PolarHBondContact O-N 2.89Å; Y434-T437 VanDerWaalsContact O-N 3.08Å; C435-T437 PolarHBondContact O-N 3.44Å; C435-T437 VanDerWaalsContact O-N 3.17Å; T437-R440 VanDerWaalsContact O-CB 3.26Å; T437-R440 WeakPolarHBondContact O-CB 3.33Å; T437-R440 PolarHBondContact O-N 3.37Å; T437-F441 HydrophobicContact CG2-CD1 4.49Å; T437-F441 HydrophobicContact CG2-CE1 3.51Å; T437-F441 HydrophobicContact CG2-CZ 3.78Å; T437-F441 WeakPolarHBondContact O-CD1 3.39Å; T437-F441 WeakPolarHBondContact O-CE1 3.35Å |
| 438 | I | 92.2 | Very high | 89.1 | Confident | 115 Ų | 115 | 35 Ų | 35 | 59% | 0.59 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -67.3 | -53.7 | -176.7 | -58.8 | 167.7 | 0 | 0 | 0 | 111.5 | C435 A436 R440 F441 | C435-I438 PolarHBondContact O-N 2.98Å; C435-I438 VanDerWaalsContact O-N 3.16Å; A436-I438 VanDerWaalsContact C-N 3.26Å; A436-I438 PolarHBondContact O-N 3.48Å; I438-R440 PolarHBondContact O-N 3.31Å; I438-F441 WeakPolarHBondContact O-CD2 3.29Å; I438-F441 WeakPolarHBondContact O-CG 3.4Å; I438-F441 PolarHBondContact O-N 3.41Å |
| 439 | P | 92.3 | Very high | 88.3 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 14% | 0.143 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -28.5 | 175.6 | -20.3 | 30.4 | 0 | 0 | 0 | 112.9 | I410 I413 H414 I417 C435 A436 F441 V442 | I410-P439 HydrophobicContact CG2-CB 3.65Å; I410-P439 WeakPolarHBondContact CG2-O 3.48Å; I410-P439 WeakPolarHBondContact O-CB 3.22Å; I413-P439 HydrophobicContact CG2-CG 4.16Å; H414-P439 HydrophobicContact CB-CB 3.99Å; I417-P439 HydrophobicContact CD1-CG 4.43Å; C435-P439 VanDerWaalsContact O-CD 3.24Å; C435-P439 WeakPolarHBondContact O-CD 3.22Å; A436-P439 WeakPolarHBondContact O-CD 3.06Å; P439-F441 PolarHBondContact O-N 3.2Å; P439-V442 WeakPolarHBondContact O-CG2 3.16Å; P439-V442 PolarHBondContact O-N 2.82Å |
| 440 | R | 90.7 | Very high | 87.7 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -29.8 | 179.6 | -167.6 | -165.6 | 167.8 | -110.3 | 5.8 | 113.2 | D321 R348 D349 F411 H414 T437 I438 V442 K443 | D321-R440 IonicContact OD2-CZ 3.43Å; D321-R440 IonicContact OD2-NE 2.79Å; D321-R440 PolarHBondContact OD2-NE 3.38Å; D321-R440 IonicContact OD2-NH2 3.84Å; R348-R440 VanDerWaalsContact CG-NH1 3.27Å; R348-R440 VanDerWaalsContact NE-NH1 3.16Å; R348-R440 VanDerWaalsContact NE-NH2 3.13Å; R348-R440 PolarHBondContact O-NH1 3.28Å; D349-R440 IonicContact OD1-CZ 2.78Å; D349-R440 IonicContact OD1-NH1 3.62Å; D349-R440 PolarHBondContact OD1-NH1 2.85Å; D349-R440 IonicContact OD1-NH2 3.65Å; D349-R440 PolarHBondContact OD1-NH2 3.46Å; F411-R440 HydrophobicContact CE2-CG 4.15Å; H414-R440 HydrophobicContact CB-CB 4.25Å; T437-R440 VanDerWaalsContact O-CB 3.26Å; T437-R440 WeakPolarHBondContact O-CB 3.33Å; T437-R440 PolarHBondContact O-N 3.37Å; I438-R440 PolarHBondContact O-N 3.31Å; R440-V442 PolarHBondContact O-N 2.83Å; R440-K443 WeakPolarHBondContact O-CB 3.35Å; R440-K443 PolarHBondContact O-N 3Å |
| 441 | F | 89.7 | Confident | 86.7 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23 | -175.9 | -60.5 | -28.7 | 0 | 0 | 0 | 113.8 | C351 C352 V355 T437 I438 P439 K443 G444 | C351-F441 HydrophobicContact CB-CD1 4.14Å; C351-F441 HydrophobicContact CB-CE1 3.31Å; C351-F441 HydrophobicContact CB-CE2 4.26Å; C351-F441 HydrophobicContact CB-CZ 3.38Å; C352-F441 HydrophobicContact CB-CD1 4.06Å; V355-F441 HydrophobicContact CB-CB 4.06Å; V355-F441 HydrophobicContact CG1-CB 3.99Å; V355-F441 HydrophobicContact CG2-CB 4.12Å; V355-F441 HydrophobicContact CG2-CD2 3.99Å; V355-F441 HydrophobicContact CG2-CG 4.16Å; T437-F441 HydrophobicContact CG2-CD1 4.49Å; T437-F441 HydrophobicContact CG2-CE1 3.51Å; T437-F441 HydrophobicContact CG2-CZ 3.78Å; T437-F441 WeakPolarHBondContact O-CD1 3.39Å; T437-F441 WeakPolarHBondContact O-CE1 3.35Å; I438-F441 WeakPolarHBondContact O-CD2 3.29Å; I438-F441 WeakPolarHBondContact O-CG 3.4Å; I438-F441 PolarHBondContact O-N 3.41Å; P439-F441 PolarHBondContact O-N 3.2Å; F441-K443 PolarHBondContact O-N 3.34Å; F441-G444 PolarHBondContact O-N 3.36Å |
| 442 | V | 88.1 | Confident | 85.6 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 12% | 0.115 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.7 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | G407 I410 F411 P439 R440 G444 F445 Q446 | G407-V442 WeakPolarHBondContact O-CG2 3.45Å; I410-V442 HydrophobicContact CB-CG1 4.02Å; I410-V442 HydrophobicContact CB-CG2 4.11Å; I410-V442 HydrophobicContact CD1-CG1 4.16Å; I410-V442 HydrophobicContact CG2-CB 4.45Å; I410-V442 HydrophobicContact CG2-CG1 3.58Å; I410-V442 HydrophobicContact CG2-CG2 4.03Å; F411-V442 HydrophobicContact CB-CG2 3.9Å; P439-V442 WeakPolarHBondContact O-CG2 3.16Å; P439-V442 PolarHBondContact O-N 2.82Å; R440-V442 PolarHBondContact O-N 2.83Å; V442-G444 PolarHBondContact O-N 3.41Å; V442-F445 VanDerWaalsContact CA-CE1 3.41Å; V442-F445 HydrophobicContact CB-CE1 3.84Å; V442-F445 HydrophobicContact CB-CZ 3.78Å; V442-F445 HydrophobicContact CG1-CE1 4.13Å; V442-F445 HydrophobicContact CG1-CZ 4.12Å; V442-F445 WeakPolarHBondContact O-CD1 3.37Å; V442-F445 WeakPolarHBondContact O-CE1 3.39Å; V442-F445 PolarHBondContact O-N 2.82Å; V442-Q446 WeakPolarHBondContact O-CG 3.5Å |
| 443 | K | 85.1 | Confident | 84.6 | Confident | 31 Ų | 31 | 27.5 Ų | 27.5 | 14% | 0.135 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.2 | -40.3 | -179.9 | -169.4 | -165.2 | -177.7 | 173.6 | 0 | 112.3 | F314 G318 D321 F411 R440 F441 F445 Q446 | F314-K443 HydrophobicContact CZ-CG 3.8Å; G318-K443 WeakPolarHBondContact O-CE 3.21Å; G318-K443 PolarHBondContact O-NZ 3.45Å; D321-K443 IonicContact OD2-NZ 3.33Å; D321-K443 PolarHBondContact OD2-NZ 3Å; F411-K443 HydrophobicContact CD2-CB 4Å; F411-K443 HydrophobicContact CD2-CG 4.34Å; F411-K443 HydrophobicContact CE2-CB 3.96Å; F411-K443 HydrophobicContact CE2-CD 3.86Å; F411-K443 HydrophobicContact CE2-CG 3.92Å; F411-K443 HydrophobicContact CZ-CD 4.15Å; F411-K443 HydrophobicContact CZ-CG 4.29Å; R440-K443 WeakPolarHBondContact O-CB 3.35Å; R440-K443 PolarHBondContact O-N 3Å; F441-K443 PolarHBondContact O-N 3.34Å; K443-F445 VanDerWaalsContact C-N 3.28Å; K443-F445 PolarHBondContact O-N 3.02Å; K443-Q446 PolarHBondContact O-N 3.22Å |
| 444 | G | 77.8 | Confident | 83.7 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 18% | 0.175 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -27.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S356 F441 V442 | S356-G444 PolarHBondContact OG-O 3.5Å; F441-G444 PolarHBondContact O-N 3.36Å; V442-G444 PolarHBondContact O-N 3.41Å |
| 445 | F | 79.2 | Confident | 82.5 | Confident | 10 Ų | 10 | 22.4 Ų | 22.4 | 4% | 0.044 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -99.9 | -15 | 179.9 | 63.4 | -106.3 | 0 | 0 | 0 | 113.6 | S356 C359 L403 V442 K443 S448 I449 | S356-F445 PolarHBondContact OG-N 3.13Å; C359-F445 HydrophobicContact CB-CD1 4.13Å; L403-F445 HydrophobicContact CD1-CE2 3.92Å; L403-F445 HydrophobicContact CD1-CZ 4.14Å; L403-F445 HydrophobicContact CD2-CD2 4.44Å; L403-F445 HydrophobicContact CD2-CE2 4.13Å; L403-F445 HydrophobicContact CG-CD2 4.48Å; L403-F445 HydrophobicContact CG-CE2 3.78Å; L403-F445 HydrophobicContact CG-CZ 4.48Å; V442-F445 VanDerWaalsContact CA-CE1 3.41Å; V442-F445 HydrophobicContact CB-CE1 3.84Å; V442-F445 HydrophobicContact CB-CZ 3.78Å; V442-F445 HydrophobicContact CG1-CE1 4.13Å; V442-F445 HydrophobicContact CG1-CZ 4.12Å; V442-F445 WeakPolarHBondContact O-CD1 3.37Å; V442-F445 WeakPolarHBondContact O-CE1 3.39Å; V442-F445 PolarHBondContact O-N 2.82Å; K443-F445 VanDerWaalsContact C-N 3.28Å; K443-F445 PolarHBondContact O-N 3.02Å; F445-S448 PolarHBondContact O-N 3.12Å; F445-I449 HydrophobicContact CD2-CD1 3.55Å; F445-I449 HydrophobicContact CE2-CD1 4.15Å; F445-I449 VanDerWaalsContact O-CG1 3.31Å; F445-I449 WeakPolarHBondContact O-CG1 3.46Å; F445-I449 PolarHBondContact O-N 3.35Å |
| 446 | Q | 83.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -56.1 | -176.1 | -74 | -58.2 | -37.8 | 0 | 0 | 112.6 | F314 L403 V404 F408 V442 K443 S448 I449 L450 | F314-Q446 HydrophobicContact CZ-CB 4.42Å; L403-Q446 PolarHBondContact O-NE2 3.31Å; L403-Q446 VanDerWaalsContact O-NE2 3.13Å; V404-Q446 PolarHBondContact O-OE1 3.12Å; F408-Q446 HydrophobicContact CE1-CG 4.47Å; V442-Q446 WeakPolarHBondContact O-CG 3.5Å; K443-Q446 PolarHBondContact O-N 3.22Å; Q446-S448 VanDerWaalsContact C-N 3.27Å; Q446-S448 PolarHBondContact O-N 3.32Å; Q446-I449 PolarHBondContact O-N 3.16Å; Q446-I449 VanDerWaalsContact O-N 3.16Å; Q446-L450 WeakPolarHBondContact O-CD1 3.25Å; Q446-L450 PolarHBondContact O-N 3.32Å |
| 447 | I | 76.5 | Confident | 80 | Confident | 44 Ų | 44 | 28 Ų | 28 | 23% | 0.226 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 179.7 | -63 | 178.7 | 0 | 0 | 0 | 110.3 | F314 I449 L450 R451 | F314-I447 HydrophobicContact CD1-CD1 4.1Å; F314-I447 HydrophobicContact CD1-CG1 3.79Å; F314-I447 HydrophobicContact CE1-CD1 3.7Å; F314-I447 HydrophobicContact CE1-CG1 3.47Å; F314-I447 VanDerWaalsContact CE1-CG1 3.47Å; I447-I449 VanDerWaalsContact C-N 3.34Å; I447-I449 PolarHBondContact O-N 3.06Å; I447-L450 PolarHBondContact O-N 3.06Å; I447-R451 HydrophobicContact CG2-CG 4.17Å; I447-R451 WeakPolarHBondContact O-CB 3.18Å; I447-R451 WeakPolarHBondContact O-CG 3.43Å; I447-R451 PolarHBondContact O-N 3.35Å |
| 448 | S | 75.7 | Confident | 78.9 | Confident | 10 Ų | 10 | 28 Ų | 28 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 178.4 | -74.4 | 0 | 0 | 0 | 0 | 112.4 | F445 Q446 T452 | F445-S448 PolarHBondContact O-N 3.12Å; Q446-S448 VanDerWaalsContact C-N 3.27Å; Q446-S448 PolarHBondContact O-N 3.32Å; S448-T452 WeakPolarHBondContact O-CB 3.43Å; S448-T452 PolarHBondContact O-N 2.86Å; S448-T452 PolarHBondContact O-OG1 2.92Å |
| 449 | I | 78.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -49.5 | 175.5 | -69 | 170.1 | 0 | 0 | 0 | 110.6 | M363 L400 L403 V404 F445 Q446 I447 R451 T452 V453 | M363-I449 HydrophobicContact CE-CD1 4.08Å; M363-I449 HydrophobicContact CE-CG1 4.42Å; M363-I449 HydrophobicContact SD-CD1 4.23Å; L400-I449 HydrophobicContact CB-CG2 4.2Å; L400-I449 HydrophobicContact CD2-CG1 4.45Å; L400-I449 HydrophobicContact CD2-CG2 3.82Å; L403-I449 HydrophobicContact CD2-CD1 3.44Å; L403-I449 VanDerWaalsContact CD2-CD1 3.44Å; L403-I449 HydrophobicContact CG-CD1 3.93Å; V404-I449 HydrophobicContact CG2-CB 4.2Å; V404-I449 HydrophobicContact CG2-CG2 3.57Å; F445-I449 HydrophobicContact CD2-CD1 3.55Å; F445-I449 HydrophobicContact CE2-CD1 4.15Å; F445-I449 VanDerWaalsContact O-CG1 3.31Å; F445-I449 WeakPolarHBondContact O-CG1 3.46Å; F445-I449 PolarHBondContact O-N 3.35Å; Q446-I449 PolarHBondContact O-N 3.16Å; Q446-I449 VanDerWaalsContact O-N 3.16Å; I447-I449 VanDerWaalsContact C-N 3.34Å; I447-I449 PolarHBondContact O-N 3.06Å; I449-R451 VanDerWaalsContact C-N 3.34Å; I449-R451 PolarHBondContact O-N 3.48Å; I449-T452 WeakPolarHBondContact O-CA 3.38Å; I449-T452 WeakPolarHBondContact O-CB 3.4Å; I449-T452 PolarHBondContact O-N 3.37Å; I449-V453 HydrophobicContact CG2-CG2 4.23Å; I449-V453 WeakPolarHBondContact O-CG2 3.37Å; I449-V453 PolarHBondContact O-N 2.89Å |
| 450 | L | 78.9 | Confident | 76.2 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 179.8 | -74.9 | 150.2 | 0 | 0 | 0 | 111.4 | I307 I310 I311 V404 F408 Q446 I447 T452 V453 I454 | I307-L450 HydrophobicContact CG2-CB 4.25Å; I307-L450 HydrophobicContact CG2-CD2 3.54Å; I310-L450 HydrophobicContact CB-CD2 4.34Å; I310-L450 HydrophobicContact CG2-CD1 4.24Å; I310-L450 HydrophobicContact CG2-CD2 3.73Å; I311-L450 HydrophobicContact CD1-CB 4.15Å; I311-L450 HydrophobicContact CG1-CB 4.06Å; I311-L450 HydrophobicContact CG1-CD1 4.39Å; I311-L450 HydrophobicContact CG1-CD2 4.45Å; V404-L450 HydrophobicContact CG1-CD2 4.42Å; V404-L450 HydrophobicContact CG2-CG 4.41Å; F408-L450 HydrophobicContact CZ-CD1 4.12Å; Q446-L450 WeakPolarHBondContact O-CD1 3.25Å; Q446-L450 PolarHBondContact O-N 3.32Å; I447-L450 PolarHBondContact O-N 3.06Å; L450-T452 VanDerWaalsContact C-N 3.34Å; L450-T452 PolarHBondContact O-N 3.23Å; L450-V453 PolarHBondContact O-N 3.01Å; L450-I454 PolarHBondContact O-N 3.16Å; L450-I454 VanDerWaalsContact O-N 3.07Å |
| 451 | R | 74.7 | Confident | 74.8 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 14% | 0.143 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.6 | -72 | -178.4 | -177.5 | 155.4 | 3.8 | 111.8 | I447 I449 S455 E474 | I447-R451 HydrophobicContact CG2-CG 4.17Å; I447-R451 WeakPolarHBondContact O-CB 3.18Å; I447-R451 WeakPolarHBondContact O-CG 3.43Å; I447-R451 PolarHBondContact O-N 3.35Å; I449-R451 VanDerWaalsContact C-N 3.34Å; I449-R451 PolarHBondContact O-N 3.48Å; R451-S455 VanDerWaalsContact O-CB 3.28Å; R451-S455 WeakPolarHBondContact O-CB 3.25Å; R451-S455 PolarHBondContact O-N 2.76Å; R451-E474 IonicContact CZ-OE2 2.71Å; R451-E474 IonicContact NH2-OE1 3.19Å; R451-E474 PolarHBondContact NH2-OE1 3.28Å; R451-E474 IonicContact NH2-OE2 3.65Å; R451-E474 PolarHBondContact NH2-OE2 3.38Å |
| 452 | T | 72.4 | Confident | 73.6 | Confident | 19 Ų | 19 | 37.2 Ų | 37.2 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | W186 S448 I449 L450 S455 K456 | W186-T452 HydrophobicContact CD2-CG2 4.49Å; S448-T452 WeakPolarHBondContact O-CB 3.43Å; S448-T452 PolarHBondContact O-N 2.86Å; S448-T452 PolarHBondContact O-OG1 2.92Å; I449-T452 WeakPolarHBondContact O-CA 3.38Å; I449-T452 WeakPolarHBondContact O-CB 3.4Å; I449-T452 PolarHBondContact O-N 3.37Å; L450-T452 VanDerWaalsContact C-N 3.34Å; L450-T452 PolarHBondContact O-N 3.23Å; T452-S455 PolarHBondContact O-N 3.44Å; T452-S455 PolarHBondContact O-OG 3.33Å; T452-K456 PolarHBondContact O-N 3.22Å |
| 453 | V | 74.7 | Confident | 72.6 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 178.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | I307 L400 I449 L450 S455 K456 W457 | I307-V453 HydrophobicContact CD1-CB 4.16Å; I307-V453 HydrophobicContact CD1-CG1 3.46Å; I307-V453 VanDerWaalsContact CD1-CG1 3.46Å; L400-V453 HydrophobicContact CB-CG2 4.28Å; L400-V453 HydrophobicContact CD1-CG2 4.12Å; I449-V453 HydrophobicContact CG2-CG2 4.23Å; I449-V453 WeakPolarHBondContact O-CG2 3.37Å; I449-V453 PolarHBondContact O-N 2.89Å; L450-V453 PolarHBondContact O-N 3.01Å; V453-S455 PolarHBondContact O-N 3.3Å; V453-K456 WeakPolarHBondContact O-CB 3.49Å; V453-K456 PolarHBondContact O-N 3.27Å; V453-W457 HydrophobicContact CG1-CD2 4.13Å; V453-W457 HydrophobicContact CG1-CE3 3.99Å; V453-W457 HydrophobicContact CG1-CH2 3.55Å; V453-W457 HydrophobicContact CG1-CZ2 3.7Å; V453-W457 HydrophobicContact CG1-CZ3 3.72Å; V453-W457 PolarHBondContact O-N 2.92Å |
| 454 | I | 75 | Confident | 71.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 176 | -68.9 | 168.5 | 0 | 0 | 0 | 111 | I307 I311 L450 K456 W457 T458 V466 I470 | I307-I454 HydrophobicContact CB-CD1 3.87Å; I307-I454 HydrophobicContact CB-CG1 3.88Å; I307-I454 HydrophobicContact CD1-CG1 3.9Å; I307-I454 HydrophobicContact CG2-CD1 3.35Å; I307-I454 HydrophobicContact CG2-CG1 3.59Å; I311-I454 HydrophobicContact CD1-CD1 3.63Å; L450-I454 PolarHBondContact O-N 3.16Å; L450-I454 VanDerWaalsContact O-N 3.07Å; I454-K456 PolarHBondContact O-N 2.93Å; I454-W457 PolarHBondContact O-N 3.38Å; I454-T458 WeakPolarHBondContact CG2-OG1 3.1Å; I454-T458 WeakPolarHBondContact O-CB 3.34Å; I454-T458 PolarHBondContact O-N 3.31Å; I454-T458 PolarHBondContact O-OG1 3.24Å; I454-V466 HydrophobicContact CG2-CG1 3.56Å; I454-I470 HydrophobicContact CB-CD1 4.43Å; I454-I470 HydrophobicContact CD1-CD1 3.55Å; I454-I470 HydrophobicContact CD1-CG1 4.15Å; I454-I470 HydrophobicContact CG2-CD1 3.96Å |
| 455 | S | 67.8 | Low | 71.1 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -26.2 | -178.6 | 84 | 0 | 0 | 0 | 0 | 113.1 | R185 R451 T452 V453 Q463 | R185-S455 PolarHBondContact NH2-OG 3.39Å; R451-S455 VanDerWaalsContact O-CB 3.28Å; R451-S455 WeakPolarHBondContact O-CB 3.25Å; R451-S455 PolarHBondContact O-N 2.76Å; T452-S455 PolarHBondContact O-N 3.44Å; T452-S455 PolarHBondContact O-OG 3.33Å; V453-S455 PolarHBondContact O-N 3.3Å; S455-Q463 PolarHBondContact O-NE2 2.7Å |
| 456 | K | 68 | Low | 70.8 | Confident | 108 Ų | 108 | 38.7 Ų | 38.7 | 47% | 0.47 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.5 | -28.3 | 176.2 | -171.5 | 178.1 | 179.5 | 179.9 | 0 | 112.2 | T452 V453 I454 | T452-K456 PolarHBondContact O-N 3.22Å; V453-K456 WeakPolarHBondContact O-CB 3.49Å; V453-K456 PolarHBondContact O-N 3.27Å; I454-K456 PolarHBondContact O-N 2.93Å |
| 457 | W | 67.5 | Low | 70.4 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 25% | 0.254 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -98.8 | -10.3 | -179 | -60.6 | -24.1 | 0 | 0 | 0 | 113.8 | T303 H304 I307 V453 I454 | T303-W457 HydrophobicContact CG2-CZ3 4.42Å; H304-W457 WeakPolarHBondContact CE1-CB 3.46Å; H304-W457 WeakPolarHBondContact NE2-CB 3.29Å; H304-W457 PolarHBondContact NE2-O 3.27Å; I307-W457 HydrophobicContact CD1-CE3 3.86Å; I307-W457 HydrophobicContact CD1-CH2 4.04Å; I307-W457 HydrophobicContact CD1-CZ3 3.28Å; I307-W457 HydrophobicContact CG1-CZ3 4.32Å; V453-W457 HydrophobicContact CG1-CD2 4.13Å; V453-W457 HydrophobicContact CG1-CE3 3.99Å; V453-W457 HydrophobicContact CG1-CH2 3.55Å; V453-W457 HydrophobicContact CG1-CZ2 3.7Å; V453-W457 HydrophobicContact CG1-CZ3 3.72Å; V453-W457 PolarHBondContact O-N 2.92Å; I454-W457 PolarHBondContact O-N 3.38Å |
| 458 | T | 69 | Low | 70.1 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -94.7 | 126.4 | 179 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | H304 I454 K462 Q463 V466 | H304-T458 PolarHBondContact NE2-OG1 2.99Å; I454-T458 WeakPolarHBondContact CG2-OG1 3.1Å; I454-T458 WeakPolarHBondContact O-CB 3.34Å; I454-T458 PolarHBondContact O-N 3.31Å; I454-T458 PolarHBondContact O-OG1 3.24Å; T458-K462 HydrophobicContact CG2-CB 4.22Å; T458-Q463 HydrophobicContact CG2-CG 4Å; T458-Q463 PolarHBondContact O-NE2 3.01Å; T458-V466 HydrophobicContact CG2-CB 3.93Å; T458-V466 HydrophobicContact CG2-CG1 4.37Å; T458-V466 HydrophobicContact CG2-CG2 3.59Å |
| 459 | E | 63 | Low | 70.1 | Confident | 114 Ų | 114 | 41.7 Ų | 41.7 | 53% | 0.533 | 22% | 0.223 | S | C | . | . | trans | -55.2 | 137.3 | 170.9 | -164.2 | -169.8 | 158.6 | 0 | 0 | 111 | S461 K462 Q463 | E459-S461 WeakPolarHBondContact CG-OG 3.38Å; E459-S461 PolarHBondContact O-N 3.37Å; E459-S461 PolarHBondContact OE1-OG 3.19Å; E459-K462 PolarHBondContact O-N 3.33Å; E459-K462 IonicContact OE2-NZ 3.94Å; E459-K462 PolarHBondContact OE2-NZ 3.31Å; E459-Q463 PolarHBondContact O-N 3.43Å | ||
| 460 | V | 64.6 | Low | 70.2 | Confident | 75 Ų | 75 | 41.9 Ų | 41.9 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -55.1 | -40.3 | -173.5 | 177.7 | 0 | 0 | 0 | 0 | 112 | K462 Q463 | V460-K462 PolarHBondContact O-N 2.9Å; V460-K462 VanDerWaalsContact O-N 3.08Å; V460-Q463 PolarHBondContact O-N 2.83Å |
| 461 | S | 61.2 | Low | 70.1 | Confident | 88 Ų | 88 | 42.1 Ų | 42.1 | 62% | 0.615 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -58.9 | -20.3 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | E459 | E459-S461 WeakPolarHBondContact CG-OG 3.38Å; E459-S461 PolarHBondContact O-N 3.37Å; E459-S461 PolarHBondContact OE1-OG 3.19Å |
| 462 | K | 66 | Low | 70.5 | Confident | 98 Ų | 98 | 41 Ų | 41 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -114.3 | 2.9 | -175.6 | -65.9 | 173.2 | -174.7 | 134.7 | 0 | 113.5 | T458 E459 V460 G464 M465 V466 | T458-K462 HydrophobicContact CG2-CB 4.22Å; E459-K462 PolarHBondContact O-N 3.33Å; E459-K462 IonicContact OE2-NZ 3.94Å; E459-K462 PolarHBondContact OE2-NZ 3.31Å; V460-K462 PolarHBondContact O-N 2.9Å; V460-K462 VanDerWaalsContact O-N 3.08Å; K462-G464 PolarHBondContact O-N 3.31Å; K462-M465 HydrophobicContact CB-CE 4.24Å; K462-M465 HydrophobicContact CG-CE 4.44Å; K462-M465 PolarHBondContact O-N 2.98Å; K462-V466 WeakPolarHBondContact O-CG2 3.23Å; K462-V466 PolarHBondContact O-N 3.17Å |
| 463 | Q | 65.7 | Low | 71.2 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | -174.8 | -77.1 | 179.8 | 5.2 | 0 | 0 | 112.8 | S455 T458 E459 V460 M465 V466 M467 | S455-Q463 PolarHBondContact O-NE2 2.7Å; T458-Q463 HydrophobicContact CG2-CG 4Å; T458-Q463 PolarHBondContact O-NE2 3.01Å; E459-Q463 PolarHBondContact O-N 3.43Å; V460-Q463 PolarHBondContact O-N 2.83Å; Q463-M465 VanDerWaalsContact C-N 3.35Å; Q463-M465 PolarHBondContact O-N 3.5Å; Q463-V466 PolarHBondContact O-N 3.35Å; Q463-M467 WeakPolarHBondContact O-CB 3.23Å; Q463-M467 VanDerWaalsContact O-CG 3.23Å; Q463-M467 WeakPolarHBondContact O-CG 3.34Å; Q463-M467 PolarHBondContact O-N 3.06Å |
| 464 | G | 64.4 | Low | 71.7 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.4 | -49.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K462 M467 S468 | K462-G464 PolarHBondContact O-N 3.31Å; G464-M467 PolarHBondContact O-N 3.43Å; G464-S468 PolarHBondContact O-N 2.93Å; G464-S468 PolarHBondContact O-OG 3.01Å |
| 465 | M | 67.5 | Low | 72.3 | Confident | 44 Ų | 44 | 43 Ų | 43 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 178 | 179.5 | -168.2 | 75 | 0 | 0 | 112.8 | I296 K462 Q463 M467 S468 V469 | I296-M465 HydrophobicContact CB-CE 4.23Å; I296-M465 HydrophobicContact CB-SD 4.27Å; I296-M465 HydrophobicContact CD1-CE 4.18Å; I296-M465 HydrophobicContact CD1-SD 3.44Å; I296-M465 WeakPolarHBondContact CD1-SD 3.3Å; I296-M465 HydrophobicContact CG1-SD 4.44Å; I296-M465 HydrophobicContact CG2-CE 3.49Å; I296-M465 VanDerWaalsContact CG2-CE 3.49Å; I296-M465 HydrophobicContact CG2-SD 4.15Å; K462-M465 HydrophobicContact CB-CE 4.24Å; K462-M465 HydrophobicContact CG-CE 4.44Å; K462-M465 PolarHBondContact O-N 2.98Å; Q463-M465 VanDerWaalsContact C-N 3.35Å; Q463-M465 PolarHBondContact O-N 3.5Å; M465-M467 VanDerWaalsContact C-N 3.32Å; M465-M467 PolarHBondContact O-N 3.46Å; M465-S468 PolarHBondContact O-N 3.07Å; M465-V469 WeakPolarHBondContact O-CG2 3.35Å; M465-V469 PolarHBondContact O-N 3.23Å |
| 466 | V | 73.4 | Confident | 73.4 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L300 I454 T458 K462 Q463 V469 I470 | L300-V466 HydrophobicContact CD2-CG2 4.25Å; I454-V466 HydrophobicContact CG2-CG1 3.56Å; T458-V466 HydrophobicContact CG2-CB 3.93Å; T458-V466 HydrophobicContact CG2-CG1 4.37Å; T458-V466 HydrophobicContact CG2-CG2 3.59Å; K462-V466 WeakPolarHBondContact O-CG2 3.23Å; K462-V466 PolarHBondContact O-N 3.17Å; Q463-V466 PolarHBondContact O-N 3.35Å; V466-V469 PolarHBondContact O-N 3.42Å; V466-I470 HydrophobicContact CG1-CD1 4.01Å; V466-I470 VanDerWaalsContact O-CG1 3.26Å; V466-I470 WeakPolarHBondContact O-CG1 3.26Å; V466-I470 PolarHBondContact O-N 3Å |
| 467 | M | 73.7 | Confident | 74.4 | Confident | 54 Ų | 54 | 40.2 Ų | 40.2 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65 | -38.6 | 175.3 | -68.5 | -60.1 | -159.5 | 0 | 0 | 112.4 | Q463 G464 M465 I470 A471 | Q463-M467 WeakPolarHBondContact O-CB 3.23Å; Q463-M467 VanDerWaalsContact O-CG 3.23Å; Q463-M467 WeakPolarHBondContact O-CG 3.34Å; Q463-M467 PolarHBondContact O-N 3.06Å; G464-M467 PolarHBondContact O-N 3.43Å; M465-M467 VanDerWaalsContact C-N 3.32Å; M465-M467 PolarHBondContact O-N 3.46Å; M467-I470 PolarHBondContact O-N 2.95Å; M467-I470 HydrophobicContact SD-CD1 4.03Å; M467-A471 WeakPolarHBondContact O-CB 3.27Å; M467-A471 PolarHBondContact O-N 3.28Å |
| 468 | S | 70.9 | Confident | 75.4 | Confident | 42 Ų | 42 | 38 Ų | 38 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.5 | -58.7 | 0 | 0 | 0 | 0 | 112 | G464 M465 I470 A471 V472 | G464-S468 PolarHBondContact O-N 2.93Å; G464-S468 PolarHBondContact O-OG 3.01Å; M465-S468 PolarHBondContact O-N 3.07Å; S468-I470 VanDerWaalsContact C-N 3.34Å; S468-I470 PolarHBondContact O-N 3.3Å; S468-A471 PolarHBondContact O-N 3.19Å; S468-V472 VanDerWaalsContact O-CG2 3.29Å; S468-V472 WeakPolarHBondContact O-CG2 3.5Å; S468-V472 PolarHBondContact O-N 3.32Å |
| 469 | V | 76.4 | Confident | 76.4 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I297 I308 M465 V466 A471 V472 M473 | I297-V469 HydrophobicContact CD1-CG1 3.72Å; I297-V469 HydrophobicContact CD1-CG2 4.14Å; I297-V469 HydrophobicContact CG1-CG1 4.04Å; I297-V469 HydrophobicContact CG1-CG2 4.2Å; I308-V469 HydrophobicContact CD1-CG1 4.49Å; M465-V469 WeakPolarHBondContact O-CG2 3.35Å; M465-V469 PolarHBondContact O-N 3.23Å; V466-V469 PolarHBondContact O-N 3.42Å; V469-A471 VanDerWaalsContact C-N 3.33Å; V469-A471 PolarHBondContact O-N 3.47Å; V469-V472 PolarHBondContact O-N 3.28Å; V469-M473 HydrophobicContact CG1-CG 4.42Å; V469-M473 VanDerWaalsContact O-CG 3.28Å; V469-M473 WeakPolarHBondContact O-CG 3.43Å; V469-M473 PolarHBondContact O-N 2.99Å |
| 470 | I | 80 | Confident | 77.7 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.6 | -67.5 | 162.3 | 0 | 0 | 0 | 110.5 | I308 I311 I454 V466 M467 S468 V472 M473 E474 | I308-I470 HydrophobicContact CG1-CG1 4.25Å; I311-I470 HydrophobicContact CD1-CG2 3.89Å; I311-I470 HydrophobicContact CG2-CG2 4.06Å; I454-I470 HydrophobicContact CB-CD1 4.43Å; I454-I470 HydrophobicContact CD1-CD1 3.55Å; I454-I470 HydrophobicContact CD1-CG1 4.15Å; I454-I470 HydrophobicContact CG2-CD1 3.96Å; V466-I470 HydrophobicContact CG1-CD1 4.01Å; V466-I470 VanDerWaalsContact O-CG1 3.26Å; V466-I470 WeakPolarHBondContact O-CG1 3.26Å; V466-I470 PolarHBondContact O-N 3Å; M467-I470 PolarHBondContact O-N 2.95Å; M467-I470 HydrophobicContact SD-CD1 4.03Å; S468-I470 VanDerWaalsContact C-N 3.34Å; S468-I470 PolarHBondContact O-N 3.3Å; I470-V472 VanDerWaalsContact C-N 3.31Å; I470-V472 PolarHBondContact O-N 3.21Å; I470-M473 PolarHBondContact O-N 3.37Å; I470-E474 VanDerWaalsContact O-CB 3.3Å; I470-E474 WeakPolarHBondContact O-CB 3.14Å; I470-E474 PolarHBondContact O-N 3.49Å |
| 471 | A | 76.9 | Confident | 78.9 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M467 S468 V469 R475 | M467-A471 WeakPolarHBondContact O-CB 3.27Å; M467-A471 PolarHBondContact O-N 3.28Å; S468-A471 PolarHBondContact O-N 3.19Å; V469-A471 VanDerWaalsContact C-N 3.33Å; V469-A471 PolarHBondContact O-N 3.47Å; A471-R475 VanDerWaalsContact O-CB 3.28Å; A471-R475 WeakPolarHBondContact O-CB 3.25Å; A471-R475 PolarHBondContact O-N 2.97Å |
| 472 | V | 82.5 | Confident | 80 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | I82 L86 S468 V469 I470 R475 L476 | I82-V472 HydrophobicContact CG2-CG1 4.48Å; L86-V472 HydrophobicContact CD2-CG2 3.57Å; L86-V472 HydrophobicContact CG-CG2 3.99Å; S468-V472 VanDerWaalsContact O-CG2 3.29Å; S468-V472 WeakPolarHBondContact O-CG2 3.5Å; S468-V472 PolarHBondContact O-N 3.32Å; V469-V472 PolarHBondContact O-N 3.28Å; I470-V472 VanDerWaalsContact C-N 3.31Å; I470-V472 PolarHBondContact O-N 3.21Å; V472-R475 PolarHBondContact O-N 2.84Å; V472-L476 HydrophobicContact CG1-CD1 4.35Å; V472-L476 WeakPolarHBondContact O-CG 3.43Å; V472-L476 PolarHBondContact O-N 3.39Å |
| 473 | M | 86.6 | Confident | 81.1 | Confident | 46 Ų | 46 | 27.1 Ų | 27.1 | 23% | 0.227 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 177.4 | -66.6 | -64.4 | 126.1 | 0 | 0 | 111 | I308 F312 V469 I470 R475 L476 G477 | I308-M473 HydrophobicContact CG2-CB 4.11Å; I308-M473 HydrophobicContact CG2-CG 3.64Å; F312-M473 HydrophobicContact CB-CB 4.45Å; F312-M473 VanDerWaalsContact CD2-O 3.31Å; F312-M473 WeakPolarHBondContact CD2-O 3.38Å; V469-M473 HydrophobicContact CG1-CG 4.42Å; V469-M473 VanDerWaalsContact O-CG 3.28Å; V469-M473 WeakPolarHBondContact O-CG 3.43Å; V469-M473 PolarHBondContact O-N 2.99Å; I470-M473 PolarHBondContact O-N 3.37Å; M473-R475 VanDerWaalsContact C-N 3.31Å; M473-R475 PolarHBondContact O-N 3.44Å; M473-L476 HydrophobicContact CE-CD1 3.91Å; M473-L476 PolarHBondContact O-N 3.21Å; M473-L476 HydrophobicContact SD-CD1 4.21Å; M473-G477 PolarHBondContact O-N 3.16Å |
| 474 | E | 86.7 | Confident | 82.2 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -51.9 | -53.2 | 172.8 | 176.6 | 163.4 | -171.4 | 0 | 0 | 109.5 | I311 S315 R451 I470 L476 G477 I478 | I311-E474 HydrophobicContact CG2-CB 4.38Å; S315-E474 VanDerWaalsContact CB-O 3.31Å; S315-E474 WeakPolarHBondContact CB-O 3.24Å; S315-E474 WeakPolarHBondContact OG-CA 3.38Å; S315-E474 WeakPolarHBondContact OG-CG 3.48Å; R451-E474 IonicContact CZ-OE2 2.71Å; R451-E474 IonicContact NH2-OE1 3.19Å; R451-E474 PolarHBondContact NH2-OE1 3.28Å; R451-E474 IonicContact NH2-OE2 3.65Å; R451-E474 PolarHBondContact NH2-OE2 3.38Å; I470-E474 VanDerWaalsContact O-CB 3.3Å; I470-E474 WeakPolarHBondContact O-CB 3.14Å; I470-E474 PolarHBondContact O-N 3.49Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.34Å; E474-G477 CarbonylContact O-C 3.34Å; E474-G477 WeakPolarHBondContact O-CA 3.22Å; E474-G477 PolarHBondContact O-N 3.34Å; E474-I478 HydrophobicContact CG-CD1 4.22Å; E474-I478 HydrophobicContact CG-CG1 4.39Å; E474-I478 WeakPolarHBondContact O-CG1 3.5Å; E474-I478 PolarHBondContact O-N 3.44Å |
| 475 | R | 86.8 | Confident | 83.3 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 178.8 | -163.9 | 171.7 | -159.7 | 122.6 | 10.2 | 114.2 | I78 G81 I82 T85 G140 L143 A471 V472 M473 G477 I478 L479 | I78-R475 HydrophobicContact CG2-CG 3.75Å; G81-R475 VanDerWaalsContact C-NE 3.3Å; G81-R475 PolarHBondContact O-NE 3.42Å; I82-R475 HydrophobicContact CG1-CB 4.45Å; I82-R475 HydrophobicContact CG1-CG 3.86Å; T85-R475 PolarHBondContact OG1-NH1 2.91Å; G140-R475 PolarHBondContact O-NH1 3.27Å; G140-R475 PolarHBondContact O-NH2 2.84Å; L143-R475 HydrophobicContact CD1-CB 3.95Å; L143-R475 HydrophobicContact CD1-CG 3.79Å; A471-R475 VanDerWaalsContact O-CB 3.28Å; A471-R475 WeakPolarHBondContact O-CB 3.25Å; A471-R475 PolarHBondContact O-N 2.97Å; V472-R475 PolarHBondContact O-N 2.84Å; M473-R475 VanDerWaalsContact C-N 3.31Å; M473-R475 PolarHBondContact O-N 3.44Å; R475-G477 VanDerWaalsContact C-N 3.35Å; R475-I478 PolarHBondContact O-N 3.34Å; R475-L479 WeakPolarHBondContact O-CB 3.25Å; R475-L479 PolarHBondContact O-N 3.06Å |
| 476 | L | 89.8 | Confident | 84.1 | Confident | 58 Ų | 58 | 24.8 Ų | 24.8 | 30% | 0.304 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 173.5 | -75.8 | 168 | 0 | 0 | 0 | 111.6 | I82 F312 V472 M473 E474 L479 I480 | I82-L476 HydrophobicContact CD1-CD2 3.67Å; I82-L476 HydrophobicContact CD1-CG 4.34Å; F312-L476 HydrophobicContact CD2-CB 4.37Å; F312-L476 HydrophobicContact CE2-CB 3.91Å; V472-L476 HydrophobicContact CG1-CD1 4.35Å; V472-L476 WeakPolarHBondContact O-CG 3.43Å; V472-L476 PolarHBondContact O-N 3.39Å; M473-L476 HydrophobicContact CE-CD1 3.91Å; M473-L476 PolarHBondContact O-N 3.21Å; M473-L476 HydrophobicContact SD-CD1 4.21Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.34Å; L476-L479 WeakPolarHBondContact O-CB 3.44Å; L476-L479 PolarHBondContact O-N 3.08Å; L476-I480 WeakPolarHBondContact O-CG1 3.48Å; L476-I480 PolarHBondContact O-N 3.4Å; L476-I480 VanDerWaalsContact O-N 3.13Å |
| 477 | G | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S315 M473 E474 R475 L479 I480 S481 | S315-G477 CarbonylContact O-C 3.51Å; M473-G477 PolarHBondContact O-N 3.16Å; E474-G477 CarbonylContact O-C 3.34Å; E474-G477 WeakPolarHBondContact O-CA 3.22Å; E474-G477 PolarHBondContact O-N 3.34Å; R475-G477 VanDerWaalsContact C-N 3.35Å; G477-L479 VanDerWaalsContact C-N 3.33Å; G477-L479 PolarHBondContact O-N 3.06Å; G477-I480 PolarHBondContact O-N 2.73Å; G477-S481 PolarHBondContact O-N 2.81Å |
| 478 | I | 88.6 | Confident | 85.4 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 10% | 0.097 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.5 | -49.8 | -152.3 | 0 | 0 | 0 | 110.6 | I78 L143 I319 E474 R475 I480 S481 L482 | I78-I478 HydrophobicContact CD1-CG2 4.21Å; L143-I478 HydrophobicContact CD1-CD1 3.88Å; L143-I478 HydrophobicContact CD2-CD1 3.98Å; L143-I478 HydrophobicContact CG-CD1 4.46Å; I319-I478 HydrophobicContact CD1-CB 3.74Å; I319-I478 HydrophobicContact CD1-CD1 3.28Å; I319-I478 HydrophobicContact CD1-CG1 3.2Å; I319-I478 HydrophobicContact CD1-CG2 3.67Å; E474-I478 HydrophobicContact CG-CD1 4.22Å; E474-I478 HydrophobicContact CG-CG1 4.39Å; E474-I478 WeakPolarHBondContact O-CG1 3.5Å; E474-I478 PolarHBondContact O-N 3.44Å; R475-I478 PolarHBondContact O-N 3.34Å; I478-I480 VanDerWaalsContact C-N 3.35Å; I478-I480 PolarHBondContact O-N 2.93Å; I478-S481 WeakPolarHBondContact O-CB 3.49Å; I478-S481 PolarHBondContact O-N 3.45Å; I478-L482 HydrophobicContact CG2-CD1 3.59Å; I478-L482 HydrophobicContact CG2-CG 3.78Å; I478-L482 WeakPolarHBondContact O-CB 2.93Å; I478-L482 WeakPolarHBondContact O-CG 3.4Å; I478-L482 PolarHBondContact O-N 3.08Å |
| 479 | L | 90.3 | Very high | 86.2 | Confident | 30 Ų | 30 | 25.7 Ų | 25.7 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 178.6 | 179.5 | 66.5 | 0 | 0 | 0 | 111.1 | L75 I78 I82 R475 L476 G477 S481 L482 V483 | L75-L479 HydrophobicContact CD1-CD1 4.15Å; I78-L479 HydrophobicContact CB-CD1 3.78Å; I78-L479 HydrophobicContact CG2-CB 3.77Å; I78-L479 HydrophobicContact CG2-CD1 3.94Å; I78-L479 HydrophobicContact CG2-CG 4.42Å; I82-L479 HydrophobicContact CD1-CD2 3.88Å; R475-L479 WeakPolarHBondContact O-CB 3.25Å; R475-L479 PolarHBondContact O-N 3.06Å; L476-L479 WeakPolarHBondContact O-CB 3.44Å; L476-L479 PolarHBondContact O-N 3.08Å; G477-L479 VanDerWaalsContact C-N 3.33Å; G477-L479 PolarHBondContact O-N 3.06Å; L479-S481 VanDerWaalsContact C-N 3.32Å; L479-S481 PolarHBondContact O-N 2.99Å; L479-L482 PolarHBondContact O-N 3.27Å; L479-V483 HydrophobicContact CD1-CG2 4.04Å; L479-V483 WeakPolarHBondContact O-CB 3.44Å; L479-V483 VanDerWaalsContact O-CG2 3.22Å; L479-V483 WeakPolarHBondContact O-CG2 3.41Å; L479-V483 PolarHBondContact O-N 3.45Å; L479-V483 VanDerWaalsContact O-N 3.1Å |
| 480 | I | 90.9 | Very high | 86.7 | Confident | 77 Ų | 77 | 25.7 Ų | 25.7 | 40% | 0.395 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 177.5 | -65.7 | 166 | 0 | 0 | 0 | 109.8 | F312 I316 L476 G477 I478 A484 | F312-I480 HydrophobicContact CE2-CD1 4.07Å; F312-I480 HydrophobicContact CZ-CD1 3.73Å; I316-I480 HydrophobicContact CD1-CD1 4.13Å; I316-I480 HydrophobicContact CD1-CG2 4.47Å; I316-I480 HydrophobicContact CG1-CB 4.36Å; I316-I480 HydrophobicContact CG1-CG2 4.46Å; I316-I480 HydrophobicContact CG2-CG2 4.23Å; L476-I480 WeakPolarHBondContact O-CG1 3.48Å; L476-I480 PolarHBondContact O-N 3.4Å; L476-I480 VanDerWaalsContact O-N 3.13Å; G477-I480 PolarHBondContact O-N 2.73Å; I478-I480 VanDerWaalsContact C-N 3.35Å; I478-I480 PolarHBondContact O-N 2.93Å; I480-A484 WeakPolarHBondContact O-CB 3.28Å; I480-A484 PolarHBondContact O-N 3.01Å |
| 481 | S | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.8 | -54.1 | 179.3 | -160.4 | 0 | 0 | 0 | 0 | 112.2 | I316 G477 I478 L479 V483 A484 L485 | I316-S481 VanDerWaalsContact O-CB 3.26Å; I316-S481 WeakPolarHBondContact O-CB 2.87Å; I316-S481 PolarHBondContact O-OG 2.97Å; G477-S481 PolarHBondContact O-N 2.81Å; I478-S481 WeakPolarHBondContact O-CB 3.49Å; I478-S481 PolarHBondContact O-N 3.45Å; L479-S481 VanDerWaalsContact C-N 3.32Å; L479-S481 PolarHBondContact O-N 2.99Å; S481-V483 PolarHBondContact O-N 3.05Å; S481-A484 PolarHBondContact O-N 2.64Å; S481-L485 VanDerWaalsContact O-CB 3.25Å; S481-L485 WeakPolarHBondContact O-CB 2.83Å; S481-L485 WeakPolarHBondContact O-CG 2.94Å; S481-L485 PolarHBondContact O-N 3.07Å; S481-L485 WeakPolarHBondContact OG-CD1 2.83Å |
| 482 | L | 85.3 | Confident | 87.7 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 11% | 0.105 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.4 | -14.9 | -171.7 | -64.1 | -164.8 | 0 | 0 | 0 | 113.7 | N74 I78 I319 Q323 I478 L479 P486 | N74-L482 HydrophobicContact CB-CB 3.93Å; N74-L482 PolarHBondContact ND2-O 3.39Å; I78-L482 HydrophobicContact CD1-CB 3.77Å; I78-L482 HydrophobicContact CD1-CD1 3.51Å; I78-L482 HydrophobicContact CD1-CG 4.06Å; I319-L482 HydrophobicContact CG2-CD2 3.42Å; I319-L482 VanDerWaalsContact CG2-CD2 3.42Å; I319-L482 HydrophobicContact CG2-CG 4.19Å; Q323-L482 HydrophobicContact CB-CD2 3.91Å; I478-L482 HydrophobicContact CG2-CD1 3.59Å; I478-L482 HydrophobicContact CG2-CG 3.78Å; I478-L482 WeakPolarHBondContact O-CB 2.93Å; I478-L482 WeakPolarHBondContact O-CG 3.4Å; I478-L482 PolarHBondContact O-N 3.08Å; L479-L482 PolarHBondContact O-N 3.27Å; L482-P486 VanDerWaalsContact O-CD 3.32Å; L482-P486 WeakPolarHBondContact O-CD 3.39Å; L482-P486 WeakPolarHBondContact O-CG 3.23Å |
| 483 | V | 88.5 | Confident | 87.8 | Confident | 34 Ų | 34 | 29.3 Ų | 29.3 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -92.4 | -47.1 | 170.9 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | S71 L75 L479 S481 V487 | S71-V483 PolarHBondContact OG-O 3.43Å; L75-V483 HydrophobicContact CB-CG2 3.67Å; L75-V483 HydrophobicContact CD1-CG2 4.06Å; L75-V483 HydrophobicContact CG-CG2 4.42Å; L479-V483 HydrophobicContact CD1-CG2 4.04Å; L479-V483 WeakPolarHBondContact O-CB 3.44Å; L479-V483 VanDerWaalsContact O-CG2 3.22Å; L479-V483 WeakPolarHBondContact O-CG2 3.41Å; L479-V483 PolarHBondContact O-N 3.45Å; L479-V483 VanDerWaalsContact O-N 3.1Å; S481-V483 PolarHBondContact O-N 3.05Å; V483-V487 VanDerWaalsContact O-CG2 3.27Å; V483-V487 WeakPolarHBondContact O-CG2 3.3Å |
| 484 | A | 88.5 | Confident | 87.7 | Confident | 36 Ų | 36 | 30.4 Ų | 30.4 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -76.1 | -42.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I480 S481 V487 I488 | I480-A484 WeakPolarHBondContact O-CB 3.28Å; I480-A484 PolarHBondContact O-N 3.01Å; S481-A484 PolarHBondContact O-N 2.64Å; A484-V487 PolarHBondContact O-N 2.84Å; A484-V487 VanDerWaalsContact O-N 3.16Å; A484-I488 HydrophobicContact CB-CD1 4.35Å; A484-I488 WeakPolarHBondContact O-CB 3.31Å; A484-I488 VanDerWaalsContact O-CG1 3.25Å; A484-I488 WeakPolarHBondContact O-CG1 3.47Å; A484-I488 PolarHBondContact O-N 3.16Å |
| 485 | L | 87.9 | Confident | 87.7 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | -174.9 | -60.4 | -174.2 | 0 | 0 | 0 | 112.7 | T320 Y324 S481 V487 I488 Y489 V500 C504 | T320-L485 HydrophobicContact CG2-CD1 3.99Å; Y324-L485 HydrophobicContact CD1-CD1 4.47Å; S481-L485 VanDerWaalsContact O-CB 3.25Å; S481-L485 WeakPolarHBondContact O-CB 2.83Å; S481-L485 WeakPolarHBondContact O-CG 2.94Å; S481-L485 PolarHBondContact O-N 3.07Å; S481-L485 WeakPolarHBondContact OG-CD1 2.83Å; L485-V487 VanDerWaalsContact C-N 3.3Å; L485-V487 PolarHBondContact O-N 3.05Å; L485-I488 HydrophobicContact CD2-CD1 4.49Å; L485-I488 PolarHBondContact O-N 2.81Å; L485-Y489 WeakPolarHBondContact O-CB 3.41Å; L485-Y489 PolarHBondContact O-N 2.85Å; L485-V500 HydrophobicContact CB-CG1 3.83Å; L485-V500 HydrophobicContact CD1-CG1 4.11Å; L485-V500 HydrophobicContact CD2-CG1 3.67Å; L485-V500 HydrophobicContact CG-CG1 4.05Å; L485-C504 WeakPolarHBondContact CD2-SG 2.86Å |
| 486 | P | 84.2 | Confident | 87.9 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -34.1 | 174.4 | -23.2 | 35.5 | 0 | 0 | 0 | 113.1 | A67 L482 Y489 A490 | A67-P486 HydrophobicContact CB-CB 4.16Å; A67-P486 WeakPolarHBondContact O-CB 3.45Å; L482-P486 VanDerWaalsContact O-CD 3.32Å; L482-P486 WeakPolarHBondContact O-CD 3.39Å; L482-P486 WeakPolarHBondContact O-CG 3.23Å; P486-Y489 PolarHBondContact O-N 3.07Å; P486-A490 WeakPolarHBondContact O-CB 3.37Å; P486-A490 PolarHBondContact O-N 3.23Å |
| 487 | V | 85.3 | Confident | 87.7 | Confident | 79 Ų | 79 | 37.1 Ų | 37.1 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | V483 A484 L485 Y489 A490 S491 | V483-V487 VanDerWaalsContact O-CG2 3.27Å; V483-V487 WeakPolarHBondContact O-CG2 3.3Å; A484-V487 PolarHBondContact O-N 2.84Å; A484-V487 VanDerWaalsContact O-N 3.16Å; L485-V487 VanDerWaalsContact C-N 3.3Å; L485-V487 PolarHBondContact O-N 3.05Å; V487-Y489 VanDerWaalsContact C-N 3.31Å; V487-Y489 PolarHBondContact O-N 3.4Å; V487-A490 PolarHBondContact O-N 3.32Å; V487-S491 PolarHBondContact O-N 3.4Å; V487-S491 PolarHBondContact O-OG 3.08Å |
| 488 | I | 89.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 173.5 | -66.4 | 164.3 | 0 | 0 | 0 | 109.8 | A484 L485 S491 T492 V500 V503 | A484-I488 HydrophobicContact CB-CD1 4.35Å; A484-I488 WeakPolarHBondContact O-CB 3.31Å; A484-I488 VanDerWaalsContact O-CG1 3.25Å; A484-I488 WeakPolarHBondContact O-CG1 3.47Å; A484-I488 PolarHBondContact O-N 3.16Å; L485-I488 HydrophobicContact CD2-CD1 4.49Å; L485-I488 PolarHBondContact O-N 2.81Å; I488-S491 PolarHBondContact O-N 3.43Å; I488-S491 PolarHBondContact O-OG 2.96Å; I488-T492 HydrophobicContact CG2-CG2 4.43Å; I488-T492 WeakPolarHBondContact O-CB 3.35Å; I488-T492 VanDerWaalsContact O-CG2 3.31Å; I488-T492 WeakPolarHBondContact O-CG2 3.39Å; I488-T492 PolarHBondContact O-N 3.43Å; I488-T492 PolarHBondContact O-OG1 3.24Å; I488-V500 HydrophobicContact CB-CG2 4.42Å; I488-V500 HydrophobicContact CG2-CG2 4.02Å; I488-V503 HydrophobicContact CD1-CG1 4.42Å |
| 489 | Y | 88 | Confident | 87.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -50.7 | 175.4 | -176.8 | -103.5 | 0 | 0 | 0 | 111.2 | Q63 A67 Y324 L327 Y328 S331 L485 P486 V487 S491 T492 V493 V500 | Q63-Y489 HydrophobicContact CB-CE1 4.48Å; A67-Y489 HydrophobicContact CB-CD1 4.39Å; Y324-Y489 HydrophobicContact CD2-CD2 4.32Å; L327-Y489 HydrophobicContact CB-CE1 4Å; L327-Y489 PolarHBondContact O-OH 2.88Å; Y328-Y489 HydrophobicContact CD2-CE2 4.38Å; S331-Y489 WeakPolarHBondContact CB-OH 3.48Å; L485-Y489 WeakPolarHBondContact O-CB 3.41Å; L485-Y489 PolarHBondContact O-N 2.85Å; P486-Y489 PolarHBondContact O-N 3.07Å; V487-Y489 VanDerWaalsContact C-N 3.31Å; V487-Y489 PolarHBondContact O-N 3.4Å; Y489-S491 VanDerWaalsContact C-N 3.26Å; Y489-S491 PolarHBondContact O-N 2.83Å; Y489-T492 PolarHBondContact O-N 3.43Å; Y489-T492 VanDerWaalsContact O-N 3.08Å; Y489-T492 PolarHBondContact O-OG1 3.46Å; Y489-V493 HydrophobicContact CE1-CB 4.36Å; Y489-V493 HydrophobicContact CE1-CG2 4.07Å; Y489-V493 HydrophobicContact CE2-CG2 4.44Å; Y489-V493 WeakPolarHBondContact O-CB 3.31Å; Y489-V493 PolarHBondContact O-N 3.18Å; Y489-V500 HydrophobicContact CD2-CG2 4.21Å |
| 490 | A | 85.9 | Confident | 87.8 | Confident | 21 Ų | 21 | 36 Ų | 36 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K64 A67 P486 V487 | K64-A490 HydrophobicContact CG-CB 4.43Å; A67-A490 HydrophobicContact CB-CB 4.17Å; P486-A490 WeakPolarHBondContact O-CB 3.37Å; P486-A490 PolarHBondContact O-N 3.23Å; V487-A490 PolarHBondContact O-N 3.32Å |
| 491 | S | 88 | Confident | 87.9 | Confident | 80 Ų | 80 | 32.3 Ų | 32.3 | 56% | 0.559 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -78.6 | -22.5 | 177.2 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | V487 I488 Y489 | V487-S491 PolarHBondContact O-N 3.4Å; V487-S491 PolarHBondContact O-OG 3.08Å; I488-S491 PolarHBondContact O-N 3.43Å; I488-S491 PolarHBondContact O-OG 2.96Å; Y489-S491 VanDerWaalsContact C-N 3.26Å; Y489-S491 PolarHBondContact O-N 2.83Å |
| 492 | T | 90.9 | Very high | 88.2 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -109.4 | -10.4 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | I488 Y489 S494 T495 F496 S499 | I488-T492 HydrophobicContact CG2-CG2 4.43Å; I488-T492 WeakPolarHBondContact O-CB 3.35Å; I488-T492 VanDerWaalsContact O-CG2 3.31Å; I488-T492 WeakPolarHBondContact O-CG2 3.39Å; I488-T492 PolarHBondContact O-N 3.43Å; I488-T492 PolarHBondContact O-OG1 3.24Å; Y489-T492 PolarHBondContact O-N 3.43Å; Y489-T492 VanDerWaalsContact O-N 3.08Å; Y489-T492 PolarHBondContact O-OG1 3.46Å; T492-S494 PolarHBondContact O-N 3.42Å; T492-S494 VanDerWaalsContact O-N 3.07Å; T492-T495 PolarHBondContact O-N 2.65Å; T492-F496 CarbonylContact O-C 3.6Å; T492-F496 VanDerWaalsContact O-C 3.29Å; T492-F496 PolarHBondContact O-N 2.93Å; T492-S499 WeakPolarHBondContact CB-OG 3.22Å |
| 493 | V | 84.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.3 | -176.1 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | K64 Y489 K497 | K64-V493 HydrophobicContact CD-CG1 4.26Å; K64-V493 HydrophobicContact CG-CG1 3.77Å; Y489-V493 HydrophobicContact CE1-CB 4.36Å; Y489-V493 HydrophobicContact CE1-CG2 4.07Å; Y489-V493 HydrophobicContact CE2-CG2 4.44Å; Y489-V493 WeakPolarHBondContact O-CB 3.31Å; Y489-V493 PolarHBondContact O-N 3.18Å; V493-K497 HydrophobicContact CG2-CG 4.11Å; V493-K497 WeakPolarHBondContact O-CE 3.2Å; V493-K497 VanDerWaalsContact O-CG 3.27Å; V493-K497 WeakPolarHBondContact O-CG 3.41Å |
| 494 | S | 83.6 | Confident | 88.7 | Confident | 70 Ų | 70 | 35.7 Ų | 35.7 | 49% | 0.49 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.8 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 114 | T492 | T492-S494 PolarHBondContact O-N 3.42Å; T492-S494 VanDerWaalsContact O-N 3.07Å |
| 495 | T | 86.8 | Confident | 89 | Confident | 123 Ų | 123 | 34.2 Ų | 34.2 | 76% | 0.755 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -53.5 | -174.6 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | T492 | T492-T495 PolarHBondContact O-N 2.65Š|
| 496 | F | 89.9 | Confident | 89.2 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | trans | -154.7 | 97.8 | -178.5 | -167.9 | -96.1 | 0 | 0 | 0 | 111.2 | T423 T492 G498 S499 F502 | T423-F496 HydrophobicContact CG2-CD2 4.42Å; T423-F496 HydrophobicContact CG2-CE2 3.33Å; T423-F496 HydrophobicContact CG2-CZ 3.74Å; T492-F496 CarbonylContact O-C 3.6Å; T492-F496 VanDerWaalsContact O-C 3.29Å; T492-F496 PolarHBondContact O-N 2.93Å; F496-G498 PolarHBondContact O-N 3.27Å; F496-S499 VanDerWaalsContact CD1-N 3.34Å; F496-S499 WeakPolarHBondContact CD1-OG 3.23Å; F496-S499 WeakPolarHBondContact O-CB 3.2Å; F496-S499 PolarHBondContact O-N 3.05Å; F496-S499 VanDerWaalsContact O-N 3.1Å; F496-S499 PolarHBondContact O-OG 3.24Å; F496-F502 HydrophobicContact CD1-CD2 4.45Å; F496-F502 AromaticContact CE1-CD2 3.65Å; F496-F502 HydrophobicContact CE1-CD2 3.65Å; F496-F502 AromaticContact CE1-CE2 3.41Å; F496-F502 HydrophobicContact CE1-CE2 3.41Å; F496-F502 VanDerWaalsContact CE1-CE2 3.41Å; F496-F502 HydrophobicContact CZ-CD2 4.38Å; F496-F502 AromaticContact CZ-CE2 3.68Å; F496-F502 HydrophobicContact CZ-CE2 3.68Å | ||
| 497 | K | 86.3 | Confident | 89.6 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.7 | -175 | -65.3 | 169.2 | 179.6 | 155.2 | 0 | 113.9 | Y328 S332 V493 S499 | Y328-K497 HydrophobicContact CD2-CB 4.44Å; Y328-K497 HydrophobicContact CE2-CB 4.17Å; S332-K497 VanDerWaalsContact O-CD 3.23Å; S332-K497 WeakPolarHBondContact O-CD 3.19Å; S332-K497 WeakPolarHBondContact O-CE 3.44Å; S332-K497 PolarHBondContact O-NZ 3.31Å; V493-K497 HydrophobicContact CG2-CG 4.11Å; V493-K497 WeakPolarHBondContact O-CE 3.2Å; V493-K497 VanDerWaalsContact O-CG 3.27Å; V493-K497 WeakPolarHBondContact O-CG 3.41Å; K497-S499 VanDerWaalsContact C-N 3.27Å; K497-S499 PolarHBondContact O-N 2.6Å |
| 498 | G | 88.2 | Confident | 90 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 3.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | S422 F496 V500 F501 | S422-G498 PolarHBondContact OG-N 3.23Å; F496-G498 PolarHBondContact O-N 3.27Å; G498-V500 PolarHBondContact O-N 2.86Å; G498-F501 PolarHBondContact O-N 3.46Å; G498-F501 VanDerWaalsContact O-N 3.16Å |
| 499 | S | 91.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.6 | -38.1 | -172.3 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | T492 F496 K497 F501 F502 V503 | T492-S499 WeakPolarHBondContact CB-OG 3.22Å; F496-S499 VanDerWaalsContact CD1-N 3.34Å; F496-S499 WeakPolarHBondContact CD1-OG 3.23Å; F496-S499 WeakPolarHBondContact O-CB 3.2Å; F496-S499 PolarHBondContact O-N 3.05Å; F496-S499 VanDerWaalsContact O-N 3.1Å; F496-S499 PolarHBondContact O-OG 3.24Å; K497-S499 VanDerWaalsContact C-N 3.27Å; K497-S499 PolarHBondContact O-N 2.6Å; S499-F501 VanDerWaalsContact C-N 3.29Å; S499-F501 PolarHBondContact O-N 3.24Å; S499-F502 PolarHBondContact O-N 3.35Å; S499-F502 VanDerWaalsContact O-N 3.08Å; S499-V503 PolarHBondContact O-N 3.44Å; S499-V503 VanDerWaalsContact O-N 3.07Å |
| 500 | V | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.8 | -43.5 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | Y324 L485 I488 Y489 G498 F502 V503 C504 | Y324-V500 HydrophobicContact CD1-CG1 3.9Å; Y324-V500 HydrophobicContact CD2-CG1 4.43Å; Y324-V500 HydrophobicContact CE1-CB 4.24Å; Y324-V500 HydrophobicContact CE1-CG1 3.52Å; Y324-V500 HydrophobicContact CE2-CB 4.01Å; Y324-V500 HydrophobicContact CE2-CG1 4.1Å; Y324-V500 HydrophobicContact CE2-CG2 4.43Å; Y324-V500 HydrophobicContact CG-CG1 4.29Å; L485-V500 HydrophobicContact CB-CG1 3.83Å; L485-V500 HydrophobicContact CD1-CG1 4.11Å; L485-V500 HydrophobicContact CD2-CG1 3.67Å; L485-V500 HydrophobicContact CG-CG1 4.05Å; I488-V500 HydrophobicContact CB-CG2 4.42Å; I488-V500 HydrophobicContact CG2-CG2 4.02Å; Y489-V500 HydrophobicContact CD2-CG2 4.21Å; G498-V500 PolarHBondContact O-N 2.86Å; V500-F502 VanDerWaalsContact C-N 3.33Å; V500-F502 PolarHBondContact O-N 3.46Å; V500-V503 PolarHBondContact O-N 3.31Å; V500-C504 PolarHBondContact O-N 3.5Å; V500-C504 VanDerWaalsContact O-N 3.08Å; V500-C504 PolarHBondContact O-SG 3.37Å; V500-C504 VanDerWaalsContact O-SG 3.37Å |
| 501 | F | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 178 | -68.5 | -70.1 | 0 | 0 | 0 | 112.4 | Y324 L325 Y328 Q415 M418 G498 S499 C504 S505 | Y324-F501 HydrophobicContact CE1-CD1 4.5Å; Y324-F501 HydrophobicContact CE1-CE1 4.06Å; Y324-F501 HydrophobicContact CE1-CZ 4.13Å; Y324-F501 HydrophobicContact CE2-CD2 4.33Å; Y324-F501 HydrophobicContact CE2-CE1 4.48Å; Y324-F501 AromaticContact CE2-CE2 3.71Å; Y324-F501 HydrophobicContact CE2-CE2 3.71Å; Y324-F501 AromaticContact CE2-CZ 3.79Å; Y324-F501 HydrophobicContact CE2-CZ 3.79Å; Y324-F501 AromaticContact CZ-CD1 3.96Å; Y324-F501 AromaticContact CZ-CD2 3.91Å; Y324-F501 AromaticContact CZ-CE1 3.56Å; Y324-F501 AromaticContact CZ-CE2 3.49Å; Y324-F501 VanDerWaalsContact CZ-CE2 3.49Å; Y324-F501 AromaticContact CZ-CZ 3.29Å; Y324-F501 WeakPolarHBondContact OH-CD1 3.11Å; Y324-F501 WeakPolarHBondContact OH-CD2 3.31Å; Y324-F501 WeakPolarHBondContact OH-CE1 3.19Å; Y324-F501 WeakPolarHBondContact OH-CE2 3.35Å; Y324-F501 WeakPolarHBondContact OH-CG 3.29Å; Y324-F501 WeakPolarHBondContact OH-CZ 3.47Å; Y324-F501 PolarHBondContact OH-N 3.26Å; L325-F501 HydrophobicContact CD1-CZ 4.17Å; Y328-F501 AromaticContact CD1-CE2 3.6Å; Y328-F501 HydrophobicContact CD1-CE2 3.6Å; Y328-F501 AromaticContact CD1-CZ 3.98Å; Y328-F501 HydrophobicContact CD1-CZ 3.98Å; Y328-F501 HydrophobicContact CD2-CE2 4Å; Y328-F501 HydrophobicContact CE1-CD2 4.44Å; Y328-F501 AromaticContact CE1-CE2 3.48Å; Y328-F501 HydrophobicContact CE1-CE2 3.48Å; Y328-F501 VanDerWaalsContact CE1-CE2 3.48Å; Y328-F501 HydrophobicContact CE1-CZ 4.12Å; Y328-F501 HydrophobicContact CE2-CD2 4.43Å; Y328-F501 AromaticContact CE2-CE2 3.93Å; Y328-F501 HydrophobicContact CE2-CE2 3.93Å; Y328-F501 AromaticContact CG-CE2 3.84Å; Y328-F501 HydrophobicContact CG-CE2 3.84Å; Y328-F501 HydrophobicContact CG-CZ 4.38Å; Y328-F501 AromaticContact CZ-CE2 3.64Å; Q415-F501 VanDerWaalsContact O-CB 3.23Å; Q415-F501 WeakPolarHBondContact O-CB 3.39Å; M418-F501 HydrophobicContact CB-CB 4.46Å; M418-F501 HydrophobicContact CB-CD1 3.4Å; M418-F501 VanDerWaalsContact CB-CD1 3.4Å; M418-F501 HydrophobicContact CB-CD2 3.76Å; M418-F501 HydrophobicContact CB-CE1 3.41Å; M418-F501 VanDerWaalsContact CB-CE1 3.41Å; M418-F501 HydrophobicContact CB-CE2 3.77Å; M418-F501 HydrophobicContact CB-CG 3.6Å; M418-F501 HydrophobicContact CB-CZ 3.62Å; M418-F501 HydrophobicContact CE-CE1 3.97Å; M418-F501 HydrophobicContact CE-CE2 4.02Å; M418-F501 HydrophobicContact CE-CZ 3.39Å; M418-F501 HydrophobicContact CG-CD1 4.17Å; M418-F501 HydrophobicContact CG-CE1 3.81Å; M418-F501 HydrophobicContact CG-CZ 4.11Å; G498-F501 PolarHBondContact O-N 3.46Å; G498-F501 VanDerWaalsContact O-N 3.16Å; S499-F501 VanDerWaalsContact C-N 3.29Å; S499-F501 PolarHBondContact O-N 3.24Å; F501-C504 PolarHBondContact O-N 2.97Å; F501-S505 WeakPolarHBondContact O-CB 3.39Å; F501-S505 PolarHBondContact O-N 3.18Å |
| 502 | F | 93.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 32% | 0.316 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -40.4 | 177.5 | -77.2 | -65.9 | 0 | 0 | 0 | 112.6 | I416 I420 F496 S499 V500 C504 S505 S506 | I416-F502 HydrophobicContact CG2-CE1 4.25Å; I420-F502 HydrophobicContact CD1-CZ 4.4Å; I420-F502 HydrophobicContact CG1-CE1 4.47Å; I420-F502 HydrophobicContact CG1-CE2 4.47Å; I420-F502 HydrophobicContact CG1-CZ 3.66Å; F496-F502 HydrophobicContact CD1-CD2 4.45Å; F496-F502 AromaticContact CE1-CD2 3.65Å; F496-F502 HydrophobicContact CE1-CD2 3.65Å; F496-F502 AromaticContact CE1-CE2 3.41Å; F496-F502 HydrophobicContact CE1-CE2 3.41Å; F496-F502 VanDerWaalsContact CE1-CE2 3.41Å; F496-F502 HydrophobicContact CZ-CD2 4.38Å; F496-F502 AromaticContact CZ-CE2 3.68Å; F496-F502 HydrophobicContact CZ-CE2 3.68Å; S499-F502 PolarHBondContact O-N 3.35Å; S499-F502 VanDerWaalsContact O-N 3.08Å; V500-F502 VanDerWaalsContact C-N 3.33Å; V500-F502 PolarHBondContact O-N 3.46Å; F502-C504 VanDerWaalsContact C-N 3.35Å; F502-S505 WeakPolarHBondContact CA-OG 3.44Å; F502-S505 PolarHBondContact O-N 3.4Å; F502-S505 PolarHBondContact O-OG 3.36Å; F502-S506 PolarHBondContact O-N 2.92Å; F502-S506 PolarHBondContact O-OG 2.77Å |
| 503 | V | 92.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 40 Ų | 40 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.8 | -50.8 | 173.1 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | I488 S499 V500 S505 S506 F507 | I488-V503 HydrophobicContact CD1-CG1 4.42Å; S499-V503 PolarHBondContact O-N 3.44Å; S499-V503 VanDerWaalsContact O-N 3.07Å; V500-V503 PolarHBondContact O-N 3.31Å; V503-S505 VanDerWaalsContact C-N 3.34Å; V503-S505 PolarHBondContact O-N 3.02Å; V503-S506 WeakPolarHBondContact O-CB 3.45Å; V503-S506 PolarHBondContact O-N 3.07Å; V503-S506 VanDerWaalsContact O-N 3.12Å; V503-F507 HydrophobicContact CG1-CD2 4.22Å; V503-F507 HydrophobicContact CG1-CE2 3.96Å; V503-F507 WeakPolarHBondContact O-CD2 3.48Å; V503-F507 PolarHBondContact O-N 2.66Å |
| 504 | C | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 179.6 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | T320 Q415 L485 V500 F501 F502 S506 F507 T508 | T320-C504 HydrophobicContact CG2-CB 3.41Å; T320-C504 VanDerWaalsContact CG2-CB 3.41Å; T320-C504 WeakPolarHBondContact CG2-SG 3.39Å; Q415-C504 PolarHBondContact OE1-O 3.38Å; L485-C504 WeakPolarHBondContact CD2-SG 2.86Å; V500-C504 PolarHBondContact O-N 3.5Å; V500-C504 VanDerWaalsContact O-N 3.08Å; V500-C504 PolarHBondContact O-SG 3.37Å; V500-C504 VanDerWaalsContact O-SG 3.37Å; F501-C504 PolarHBondContact O-N 2.97Å; F502-C504 VanDerWaalsContact C-N 3.35Å; C504-S506 PolarHBondContact O-N 3.42Å; C504-F507 PolarHBondContact O-N 3.4Å; C504-T508 PolarHBondContact O-N 3.39Å; C504-T508 PolarHBondContact O-OG1 3.1Å |
| 505 | S | 93.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -32.3 | 173.5 | 75.9 | 0 | 0 | 0 | 0 | 112.7 | F501 F502 V503 T508 I509 | F501-S505 WeakPolarHBondContact O-CB 3.39Å; F501-S505 PolarHBondContact O-N 3.18Å; F502-S505 WeakPolarHBondContact CA-OG 3.44Å; F502-S505 PolarHBondContact O-N 3.4Å; F502-S505 PolarHBondContact O-OG 3.36Å; V503-S505 VanDerWaalsContact C-N 3.34Å; V503-S505 PolarHBondContact O-N 3.02Å; S505-T508 WeakPolarHBondContact CA-OG1 3.41Å; S505-T508 PolarHBondContact O-N 3.19Å; S505-T508 PolarHBondContact O-OG1 2.91Å; S505-I509 WeakPolarHBondContact O-CB 3.48Å; S505-I509 WeakPolarHBondContact O-CD1 3.01Å; S505-I509 WeakPolarHBondContact O-CG1 3.31Å; S505-I509 PolarHBondContact O-N 2.99Å |
| 506 | S | 93.6 | Very high | 91 | Very high | 75 Ų | 75 | 38 Ų | 38 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.9 | -37.8 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | F502 V503 C504 L510 | F502-S506 PolarHBondContact O-N 2.92Å; F502-S506 PolarHBondContact O-OG 2.77Å; V503-S506 WeakPolarHBondContact O-CB 3.45Å; V503-S506 PolarHBondContact O-N 3.07Å; V503-S506 VanDerWaalsContact O-N 3.12Å; C504-S506 PolarHBondContact O-N 3.42Å; S506-L510 WeakPolarHBondContact O-CB 3.48Å; S506-L510 PolarHBondContact O-N 3.03Å |
| 507 | F | 92.7 | Very high | 90.6 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 32% | 0.32 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 172.3 | -78.2 | -82.8 | 0 | 0 | 0 | 112.4 | M313 V503 C504 I509 L510 E511 | M313-F507 HydrophobicContact SD-CD1 4.17Å; M313-F507 HydrophobicContact SD-CE1 4.46Å; V503-F507 HydrophobicContact CG1-CD2 4.22Å; V503-F507 HydrophobicContact CG1-CE2 3.96Å; V503-F507 WeakPolarHBondContact O-CD2 3.48Å; V503-F507 PolarHBondContact O-N 2.66Å; C504-F507 PolarHBondContact O-N 3.4Å; F507-I509 PolarHBondContact O-N 3.05Å; F507-L510 WeakPolarHBondContact O-CB 3.27Å; F507-L510 PolarHBondContact O-N 2.89Å; F507-L510 VanDerWaalsContact O-N 3.17Å; F507-E511 VanDerWaalsContact O-CG 3.31Å; F507-E511 WeakPolarHBondContact O-CG 3.44Å; F507-E511 PolarHBondContact O-N 3.49Å |
| 508 | T | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.5 | -34.4 | 179 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | S317 F411 S412 Q415 C504 S505 E511 A512 | S317-T508 VanDerWaalsContact OG-CG2 3.25Å; S317-T508 WeakPolarHBondContact OG-CG2 3.27Å; F411-T508 HydrophobicContact CD1-CG2 3.66Å; F411-T508 HydrophobicContact CE1-CG2 3.9Å; S412-T508 WeakPolarHBondContact CB-OG1 3.14Å; Q415-T508 PolarHBondContact OE1-OG1 3.21Å; C504-T508 PolarHBondContact O-N 3.39Å; C504-T508 PolarHBondContact O-OG1 3.1Å; S505-T508 WeakPolarHBondContact CA-OG1 3.41Å; S505-T508 PolarHBondContact O-N 3.19Å; S505-T508 PolarHBondContact O-OG1 2.91Å; T508-E511 WeakPolarHBondContact O-CB 3.35Å; T508-E511 PolarHBondContact O-N 3.3Å; T508-A512 PolarHBondContact O-N 3.01Å |
| 509 | I | 93.7 | Very high | 89.9 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 171.2 | -69.3 | 165.4 | 0 | 0 | 0 | 110.4 | S505 F507 E511 A512 L513 | S505-I509 WeakPolarHBondContact O-CB 3.48Å; S505-I509 WeakPolarHBondContact O-CD1 3.01Å; S505-I509 WeakPolarHBondContact O-CG1 3.31Å; S505-I509 PolarHBondContact O-N 2.99Å; F507-I509 PolarHBondContact O-N 3.05Å; I509-E511 VanDerWaalsContact C-N 3.3Å; I509-E511 PolarHBondContact O-N 3.21Å; I509-A512 WeakPolarHBondContact O-CB 3.39Å; I509-A512 PolarHBondContact O-N 3.17Å; I509-L513 WeakPolarHBondContact O-CG 3.45Å; I509-L513 PolarHBondContact O-N 3.44Å |
| 510 | L | 92.7 | Very high | 89.8 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 175.8 | -178.5 | 63.2 | 0 | 0 | 0 | 111.7 | S506 F507 L513 I514 | S506-L510 WeakPolarHBondContact O-CB 3.48Å; S506-L510 PolarHBondContact O-N 3.03Å; F507-L510 WeakPolarHBondContact O-CB 3.27Å; F507-L510 PolarHBondContact O-N 2.89Å; F507-L510 VanDerWaalsContact O-N 3.17Å; L510-L513 WeakPolarHBondContact O-CB 3.38Å; L510-L513 PolarHBondContact O-N 3.31Å; L510-I514 HydrophobicContact CG-CD1 4.16Å; L510-I514 VanDerWaalsContact O-CG1 3.32Å; L510-I514 WeakPolarHBondContact O-CG1 3.43Å; L510-I514 PolarHBondContact O-N 3.01Å |
| 511 | E | 91.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 173.2 | -71.3 | 157.9 | -151.2 | 0 | 0 | 111.6 | M313 F314 S317 F408 F507 T508 I509 L513 I514 V515 | M313-E511 HydrophobicContact CB-CG 3.56Å; M313-E511 HydrophobicContact CG-CG 4.5Å; M313-E511 VanDerWaalsContact O-OE1 3.05Å; F314-E511 WeakPolarHBondContact CA-OE1 3.22Å; F314-E511 WeakPolarHBondContact CD2-OE2 3.42Å; F314-E511 PolarHBondContact N-OE1 2.89Å; S317-E511 WeakPolarHBondContact CB-OE1 3.5Å; S317-E511 PolarHBondContact OG-OE1 3.27Å; F408-E511 HydrophobicContact CD2-CB 3.96Å; F408-E511 HydrophobicContact CE2-CB 4.07Å; F408-E511 HydrophobicContact CG-CB 4.33Å; F507-E511 VanDerWaalsContact O-CG 3.31Å; F507-E511 WeakPolarHBondContact O-CG 3.44Å; F507-E511 PolarHBondContact O-N 3.49Å; T508-E511 WeakPolarHBondContact O-CB 3.35Å; T508-E511 PolarHBondContact O-N 3.3Å; I509-E511 VanDerWaalsContact C-N 3.3Å; I509-E511 PolarHBondContact O-N 3.21Å; E511-L513 VanDerWaalsContact C-N 3.3Å; E511-L513 PolarHBondContact O-N 3.2Å; E511-I514 PolarHBondContact O-N 3.38Å; E511-V515 VanDerWaalsContact O-CG2 3.28Å; E511-V515 WeakPolarHBondContact O-CG2 3.23Å; E511-V515 PolarHBondContact O-N 3.12Å |
| 512 | A | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F405 F408 I409 T508 I509 V515 L516 | F405-A512 HydrophobicContact CD2-CB 4.04Å; F405-A512 WeakPolarHBondContact CD2-O 3.25Å; F405-A512 HydrophobicContact CE2-CB 4Å; F405-A512 WeakPolarHBondContact CE2-O 3.42Å; F408-A512 HydrophobicContact CB-CB 3.91Å; I409-A512 HydrophobicContact CD1-CB 3.55Å; I409-A512 HydrophobicContact CG1-CB 3.99Å; T508-A512 PolarHBondContact O-N 3.01Å; I509-A512 WeakPolarHBondContact O-CB 3.39Å; I509-A512 PolarHBondContact O-N 3.17Å; A512-V515 PolarHBondContact O-N 2.84Å; A512-L516 PolarHBondContact O-N 3.44Å |
| 513 | L | 91.5 | Very high | 89.2 | Confident | 91 Ų | 91 | 48.1 Ų | 48.1 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 175.6 | -66.5 | 174.9 | 0 | 0 | 0 | 112.3 | I509 L510 E511 V515 L516 L517 | I509-L513 WeakPolarHBondContact O-CG 3.45Å; I509-L513 PolarHBondContact O-N 3.44Å; L510-L513 WeakPolarHBondContact O-CB 3.38Å; L510-L513 PolarHBondContact O-N 3.31Å; E511-L513 VanDerWaalsContact C-N 3.3Å; E511-L513 PolarHBondContact O-N 3.2Å; L513-V515 VanDerWaalsContact C-N 3.34Å; L513-L516 WeakPolarHBondContact O-CB 3.21Å; L513-L516 PolarHBondContact O-N 2.71Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 3.07Å |
| 514 | I | 88.9 | Confident | 89 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175.6 | -68.5 | 165.5 | 0 | 0 | 0 | 110.3 | V306 I310 L510 E511 L516 L517 V518 | V306-I514 HydrophobicContact CG1-CG2 4.01Å; I310-I514 HydrophobicContact CD1-CG2 4.39Å; I310-I514 HydrophobicContact CG1-CG2 4.03Å; L510-I514 HydrophobicContact CG-CD1 4.16Å; L510-I514 VanDerWaalsContact O-CG1 3.32Å; L510-I514 WeakPolarHBondContact O-CG1 3.43Å; L510-I514 PolarHBondContact O-N 3.01Å; E511-I514 PolarHBondContact O-N 3.38Å; I514-L516 VanDerWaalsContact C-N 3.27Å; I514-L516 PolarHBondContact O-N 3.05Å; I514-L517 PolarHBondContact O-N 3.43Å; I514-L517 VanDerWaalsContact O-N 3.1Å; I514-V518 WeakPolarHBondContact O-CG2 3.45Å; I514-V518 PolarHBondContact O-N 3.31Å |
| 515 | V | 85.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | I310 I401 V404 F405 F408 E511 A512 L513 L517 V518 | I310-V515 HydrophobicContact CD1-CG2 3.69Å; I310-V515 HydrophobicContact CG1-CG2 4.23Å; I310-V515 HydrophobicContact CG2-CG2 4.45Å; I401-V515 HydrophobicContact CG2-CG1 3.69Å; V404-V515 HydrophobicContact CG1-CG1 4.3Å; V404-V515 HydrophobicContact CG1-CG2 3.93Å; F405-V515 HydrophobicContact CB-CG1 3.89Å; F408-V515 HydrophobicContact CD2-CG2 3.91Å; F408-V515 HydrophobicContact CE2-CG2 3.68Å; E511-V515 VanDerWaalsContact O-CG2 3.28Å; E511-V515 WeakPolarHBondContact O-CG2 3.23Å; E511-V515 PolarHBondContact O-N 3.12Å; A512-V515 PolarHBondContact O-N 2.84Å; L513-V515 VanDerWaalsContact C-N 3.34Å; V515-L517 PolarHBondContact O-N 2.97Å; V515-V518 PolarHBondContact O-N 3.38Å |
| 516 | L | 83.5 | Confident | 88.4 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 55% | 0.55 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.9 | -25.5 | 177.3 | -172.4 | 66.7 | 0 | 0 | 0 | 113 | F405 A512 L513 I514 | F405-L516 HydrophobicContact CD2-CB 4.2Å; F405-L516 HydrophobicContact CE2-CB 4.01Å; F405-L516 HydrophobicContact CE2-CD1 4.39Å; F405-L516 HydrophobicContact CE2-CD2 4.41Å; A512-L516 PolarHBondContact O-N 3.44Å; L513-L516 WeakPolarHBondContact O-CB 3.21Å; L513-L516 PolarHBondContact O-N 2.71Å; I514-L516 VanDerWaalsContact C-N 3.27Å; I514-L516 PolarHBondContact O-N 3.05Å |
| 517 | L | 80.9 | Confident | 87.9 | Confident | 129 Ų | 129 | 52.8 Ų | 52.8 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.1 | 178.1 | -68.1 | 171.1 | 0 | 0 | 0 | 113.5 | L388 L513 I514 V515 | L388-L517 VanDerWaalsContact CD1-O 3.25Å; L388-L517 WeakPolarHBondContact CD1-O 3.26Å; L388-L517 WeakPolarHBondContact CD2-O 3.27Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 3.07Å; I514-L517 PolarHBondContact O-N 3.43Å; I514-L517 VanDerWaalsContact O-N 3.1Å; V515-L517 PolarHBondContact O-N 2.97Å |
| 518 | V | 70.2 | Confident | 87.5 | Confident | 43 Ų | 43 | 51 Ų | 51 | 26% | 0.261 | 27% | 0.27 | S | S | . | . | trans | -92.6 | 0 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 111 | V306 L388 I401 I514 V515 | V306-V518 HydrophobicContact CB-CG2 4.13Å; V306-V518 HydrophobicContact CG1-CG2 3.28Å; V306-V518 HydrophobicContact CG2-CG2 4.46Å; L388-V518 WeakPolarHBondContact CD2-O 3.05Å; I401-V518 HydrophobicContact CD1-CG1 4.47Å; I514-V518 WeakPolarHBondContact O-CG2 3.45Å; I514-V518 PolarHBondContact O-N 3.31Å; V515-V518 PolarHBondContact O-N 3.38Å |
Retrieved 518 of 518 residues in 198.1 ms
(Link to these results)