| 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 | 63.1 | Low | 88.1 | Confident | 194 Ų | 194 | 64.6 Ų | 64.6 | 96% | 0.956 | 36% | 0.359 | S | S | * | . | 0 | -61.8 | 0 | -138 | 164.1 | 117.6 | 0 | 0 | 112.7 | K3 V4 I5 | M1-K3 PolarHBondContact O-N 3.44Å; M1-V4 PolarHBondContact O-N 3.42Å; M1-V4 VanDerWaalsContact O-N 3.14Å; M1-I5 HydrophobicContact CE-CD1 4.45Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 PolarHBondContact O-N 3.14Å | |||
| 2 | C | 83.5 | Confident | 88.7 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.7 | -46.3 | -175 | -146.1 | 0 | 0 | 0 | 0 | 114.4 | V4 I5 S6 | C2-V4 PolarHBondContact O-N 3.09Å; C2-I5 PolarHBondContact O-N 3.22Å; C2-S6 WeakPolarHBondContact O-CB 3.14Å; C2-S6 PolarHBondContact O-N 3.46Å; C2-S6 PolarHBondContact O-OG 3.38Å; C2-S6 VanDerWaalsContact O-OG 3.1Å |
| 3 | K | 85.8 | Confident | 89.1 | Confident | 44 Ų | 44 | 68.3 Ų | 68.3 | 19% | 0.191 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -42.7 | 176.9 | -175.3 | -174.3 | -177.4 | -176.8 | 0 | 113.9 | M1 S7 L258 E265 | M1-K3 PolarHBondContact O-N 3.44Å; K3-S7 VanDerWaalsContact O-CB 3.29Å; K3-S7 WeakPolarHBondContact O-CB 3.47Å; K3-S7 PolarHBondContact O-N 3.19Å; K3-S7 PolarHBondContact O-OG 3.04Å; K3-L258 HydrophobicContact CG-CD2 3.81Å; K3-E265 IonicContact NZ-OE1 2.68Å; K3-E265 PolarHBondContact NZ-OE1 2.64Å; K3-E265 IonicContact NZ-OE2 2.92Å; K3-E265 PolarHBondContact NZ-OE2 2.97Å |
| 4 | V | 88.8 | Confident | 89.6 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 60% | 0.6 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.9 | -48.1 | -178.9 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | M1 C2 S6 S7 T8 | M1-V4 PolarHBondContact O-N 3.42Å; M1-V4 VanDerWaalsContact O-N 3.14Å; C2-V4 PolarHBondContact O-N 3.09Å; V4-S6 PolarHBondContact O-N 3.48Å; V4-S7 WeakPolarHBondContact O-CB 3.37Å; V4-S7 PolarHBondContact O-N 3.34Å; V4-T8 PolarHBondContact O-N 2.85Å; V4-T8 PolarHBondContact O-OG1 3.46Å |
| 5 | I | 90.9 | Very high | 90 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.3 | -50 | 178 | -63 | 168 | 0 | 0 | 0 | 110.8 | M1 C2 S7 T8 I9 | M1-I5 HydrophobicContact CE-CD1 4.45Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 PolarHBondContact O-N 3.14Å; C2-I5 PolarHBondContact O-N 3.22Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.11Å; I5-T8 PolarHBondContact O-N 3.41Å; I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.39Å |
| 6 | S | 90.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 113 | C2 V4 L10 | C2-S6 WeakPolarHBondContact O-CB 3.14Å; C2-S6 PolarHBondContact O-N 3.46Å; C2-S6 PolarHBondContact O-OG 3.38Å; C2-S6 VanDerWaalsContact O-OG 3.1Å; V4-S6 PolarHBondContact O-N 3.48Å; S6-L10 PolarHBondContact O-N 3.05Å |
| 7 | S | 91.9 | Very high | 90.7 | Very high | 17 Ų | 17 | 64 Ų | 64 | 12% | 0.119 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | K3 V4 I5 I9 L10 V11 V95 | K3-S7 VanDerWaalsContact O-CB 3.29Å; K3-S7 WeakPolarHBondContact O-CB 3.47Å; K3-S7 PolarHBondContact O-N 3.19Å; K3-S7 PolarHBondContact O-OG 3.04Å; V4-S7 WeakPolarHBondContact O-CB 3.37Å; V4-S7 PolarHBondContact O-N 3.34Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.11Å; S7-I9 PolarHBondContact O-N 3.38Å; S7-L10 PolarHBondContact O-N 3.36Å; S7-V11 WeakPolarHBondContact O-CG2 3.39Å; S7-V11 PolarHBondContact O-N 3.18Å; S7-V95 VanDerWaalsContact CB-CG1 3.45Å |
| 8 | T | 93 | Very high | 91.1 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 44% | 0.436 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | V4 I5 L10 V11 L12 | V4-T8 PolarHBondContact O-N 2.85Å; V4-T8 PolarHBondContact O-OG1 3.46Å; I5-T8 PolarHBondContact O-N 3.41Å; T8-L10 PolarHBondContact O-N 3.37Å; T8-V11 PolarHBondContact O-N 2.75Å; T8-L12 HydrophobicContact CG2-CD1 3.82Å; T8-L12 HydrophobicContact CG2-CG 4.2Å; T8-L12 WeakPolarHBondContact O-CB 3.21Å; T8-L12 VanDerWaalsContact O-CG 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.5Å; T8-L12 PolarHBondContact O-N 2.86Å |
| 9 | I | 93.8 | Very high | 91.4 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 41% | 0.41 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 178.6 | -70 | 168 | 0 | 0 | 0 | 111.1 | I5 S7 V11 L12 F13 F251 | I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.39Å; S7-I9 PolarHBondContact O-N 3.38Å; I9-V11 PolarHBondContact O-N 2.65Å; I9-L12 PolarHBondContact O-N 2.89Å; I9-F13 WeakPolarHBondContact O-CB 3.34Å; I9-F13 PolarHBondContact O-N 3.48Å; I9-F251 HydrophobicContact CG2-CE1 4Å |
| 10 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | -179.4 | -166.2 | 157.3 | 0 | 0 | 0 | 111.4 | S6 S7 T8 N14 G91 V95 L103 Y106 I254 S255 L258 | S6-L10 PolarHBondContact O-N 3.05Å; S7-L10 PolarHBondContact O-N 3.36Å; T8-L10 PolarHBondContact O-N 3.37Å; L10-N14 WeakPolarHBondContact CD2-ND2 3.5Å; L10-N14 WeakPolarHBondContact O-CB 3.5Å; L10-N14 PolarHBondContact O-N 2.8Å; L10-N14 VanDerWaalsContact O-N 3.13Å; L10-N14 PolarHBondContact O-ND2 3.18Å; L10-G91 WeakPolarHBondContact CD2-O 3.5Å; L10-V95 HydrophobicContact CB-CG2 4.49Å; L10-V95 HydrophobicContact CD1-CG2 4.15Å; L10-V95 HydrophobicContact CD2-CG2 3.88Å; L10-V95 HydrophobicContact CG-CG2 4.41Å; L10-L103 HydrophobicContact CD1-CD1 4.32Å; L10-Y106 HydrophobicContact CD1-CD1 4.4Å; L10-Y106 HydrophobicContact CD1-CE1 3.84Å; L10-Y106 HydrophobicContact CD2-CE1 4.15Å; L10-Y106 HydrophobicContact CG-CE1 4.13Å; L10-I254 HydrophobicContact CD1-CG2 4.33Å; L10-S255 WeakPolarHBondContact CD1-OG 3.4Å; L10-L258 HydrophobicContact CD1-CD1 4.33Å |
| 11 | V | 94.8 | Very high | 92 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 178 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | S7 T8 I9 F13 N14 I15 V95 | S7-V11 WeakPolarHBondContact O-CG2 3.39Å; S7-V11 PolarHBondContact O-N 3.18Å; T8-V11 PolarHBondContact O-N 2.75Å; I9-V11 PolarHBondContact O-N 2.65Å; V11-F13 VanDerWaalsContact C-N 3.27Å; V11-F13 PolarHBondContact O-N 3.4Å; V11-N14 PolarHBondContact O-N 3.49Å; V11-N14 VanDerWaalsContact O-N 3.16Å; V11-I15 HydrophobicContact CG1-CD1 3.96Å; V11-I15 HydrophobicContact CG1-CG1 4.41Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 3.34Å; V11-I15 VanDerWaalsContact O-N 3.07Å; V11-V95 HydrophobicContact CG2-CB 4.13Å; V11-V95 HydrophobicContact CG2-CG1 3.95Å |
| 12 | L | 95 | Very high | 93.6 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.5 | -36 | -179.7 | -75.1 | 177.9 | 0 | 0 | 0 | 112.8 | T8 I9 P16 | T8-L12 HydrophobicContact CG2-CD1 3.82Å; T8-L12 HydrophobicContact CG2-CG 4.2Å; T8-L12 WeakPolarHBondContact O-CB 3.21Å; T8-L12 VanDerWaalsContact O-CG 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.5Å; T8-L12 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 2.89Å; L12-P16 WeakPolarHBondContact O-CD 3.42Å |
| 13 | F | 93.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.9 | -35.9 | 176.5 | -179.9 | -103.9 | 0 | 0 | 0 | 113 | I9 V11 P16 L17 L247 F251 | I9-F13 WeakPolarHBondContact O-CB 3.34Å; I9-F13 PolarHBondContact O-N 3.48Å; V11-F13 VanDerWaalsContact C-N 3.27Å; V11-F13 PolarHBondContact O-N 3.4Å; F13-P16 VanDerWaalsContact O-CD 3.29Å; F13-P16 WeakPolarHBondContact O-CD 3.32Å; F13-P16 VanDerWaalsContact O-CG 3.29Å; F13-P16 WeakPolarHBondContact O-CG 3.45Å; F13-L17 HydrophobicContact CD1-CD1 3.84Å; F13-L17 HydrophobicContact CE1-CD1 3.35Å; F13-L17 HydrophobicContact CE1-CG 4.28Å; F13-L17 HydrophobicContact CZ-CD1 3.91Å; F13-L17 HydrophobicContact CZ-CG 4.48Å; F13-L247 HydrophobicContact CE2-CD2 3.83Å; F13-L247 HydrophobicContact CZ-CD2 3.71Å; F13-L247 HydrophobicContact CZ-CG 4.37Å; F13-F251 HydrophobicContact CB-CE1 3.91Å; F13-F251 HydrophobicContact CB-CE2 4.31Å; F13-F251 HydrophobicContact CB-CZ 3.48Å; F13-F251 VanDerWaalsContact CB-CZ 3.48Å; F13-F251 HydrophobicContact CD1-CD2 4Å; F13-F251 HydrophobicContact CD1-CE1 4.04Å; F13-F251 AromaticContact CD1-CE2 3.31Å; F13-F251 HydrophobicContact CD1-CE2 3.31Å; F13-F251 AromaticContact CD1-CZ 3.37Å; F13-F251 HydrophobicContact CD1-CZ 3.37Å; F13-F251 AromaticContact CD2-CE2 3.76Å; F13-F251 HydrophobicContact CD2-CE2 3.76Å; F13-F251 AromaticContact CD2-CZ 3.63Å; F13-F251 HydrophobicContact CD2-CZ 3.63Å; F13-F251 AromaticContact CE1-CD2 3.87Å; F13-F251 HydrophobicContact CE1-CD2 3.87Å; F13-F251 AromaticContact CE1-CE2 3.35Å; F13-F251 HydrophobicContact CE1-CE2 3.35Å; F13-F251 AromaticContact CE1-CZ 3.93Å; F13-F251 HydrophobicContact CE1-CZ 3.93Å; F13-F251 AromaticContact CE2-CE2 3.82Å; F13-F251 HydrophobicContact CE2-CE2 3.82Å; F13-F251 HydrophobicContact CE2-CZ 4.18Å; F13-F251 HydrophobicContact CG-CE1 4Å; F13-F251 AromaticContact CG-CE2 3.51Å; F13-F251 HydrophobicContact CG-CE2 3.51Å; F13-F251 AromaticContact CG-CZ 3.18Å; F13-F251 HydrophobicContact CG-CZ 3.18Å; F13-F251 HydrophobicContact CZ-CD2 4.37Å; F13-F251 AromaticContact CZ-CE2 3.63Å; F13-F251 HydrophobicContact CZ-CE2 3.63Å; F13-F251 HydrophobicContact CZ-CZ 4.32Å |
| 14 | N | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -79.4 | -24.7 | -177.5 | -82.2 | -74.5 | 0 | 0 | 0 | 113.7 | L10 V11 L17 V18 S88 I92 Y106 | L10-N14 WeakPolarHBondContact CD2-ND2 3.5Å; L10-N14 WeakPolarHBondContact O-CB 3.5Å; L10-N14 PolarHBondContact O-N 2.8Å; L10-N14 VanDerWaalsContact O-N 3.13Å; L10-N14 PolarHBondContact O-ND2 3.18Å; V11-N14 PolarHBondContact O-N 3.49Å; V11-N14 VanDerWaalsContact O-N 3.16Å; N14-L17 PolarHBondContact O-N 3.2Å; N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.47Å; N14-S88 VanDerWaalsContact OD1-CA 3.25Å; N14-S88 WeakPolarHBondContact OD1-CA 3.17Å; N14-S88 VanDerWaalsContact OD1-CB 3.32Å; N14-S88 WeakPolarHBondContact OD1-CB 3.44Å; N14-S88 PolarHBondContact OD1-OG 3.24Å; N14-I92 HydrophobicContact CB-CD1 3.93Å; N14-I92 HydrophobicContact CB-CG1 3.63Å; N14-Y106 PolarHBondContact ND2-OH 2.95Å; N14-Y106 VanDerWaalsContact ND2-OH 3.08Å |
| 15 | I | 96 | Very high | 95.4 | Very high | 82 Ų | 82 | 52 Ų | 52 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.5 | -55.5 | 175 | -71.6 | 165 | 0 | 0 | 0 | 112.4 | V11 L17 V18 L19 I92 | V11-I15 HydrophobicContact CG1-CD1 3.96Å; V11-I15 HydrophobicContact CG1-CG1 4.41Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 3.34Å; V11-I15 VanDerWaalsContact O-N 3.07Å; I15-L17 VanDerWaalsContact C-N 3.26Å; I15-L17 PolarHBondContact O-N 3.22Å; I15-V18 PolarHBondContact O-N 2.88Å; I15-L19 PolarHBondContact O-N 2.93Å; I15-I92 HydrophobicContact CG1-CD1 4.22Å |
| 16 | P | 96.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 52.3 Ų | 52.3 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -30.8 | 178.3 | 25.1 | -33.7 | 0 | 0 | 0 | 112.2 | L12 F13 L19 V20 | L12-P16 WeakPolarHBondContact O-CD 3.42Å; F13-P16 VanDerWaalsContact O-CD 3.29Å; F13-P16 WeakPolarHBondContact O-CD 3.32Å; F13-P16 VanDerWaalsContact O-CG 3.29Å; F13-P16 WeakPolarHBondContact O-CG 3.45Å; P16-L19 WeakPolarHBondContact O-CB 3.39Å; P16-L19 PolarHBondContact O-N 3.38Å; P16-V20 WeakPolarHBondContact O-CG2 3.42Å; P16-V20 PolarHBondContact O-N 3.36Å |
| 17 | L | 95.3 | Very high | 95.9 | Very high | 54 Ų | 54 | 57 Ų | 57 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 174.4 | -70 | -179.4 | 0 | 0 | 0 | 112.7 | F13 N14 I15 L19 V20 G21 I84 S88 | F13-L17 HydrophobicContact CD1-CD1 3.84Å; F13-L17 HydrophobicContact CE1-CD1 3.35Å; F13-L17 HydrophobicContact CE1-CG 4.28Å; F13-L17 HydrophobicContact CZ-CD1 3.91Å; F13-L17 HydrophobicContact CZ-CG 4.48Å; N14-L17 PolarHBondContact O-N 3.2Å; I15-L17 VanDerWaalsContact C-N 3.26Å; I15-L17 PolarHBondContact O-N 3.22Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 2.92Å; L17-G21 PolarHBondContact O-N 3.44Å; L17-I84 HydrophobicContact CB-CG2 4.29Å; L17-I84 WeakPolarHBondContact O-CG2 3.42Å; L17-S88 WeakPolarHBondContact CB-OG 3.27Å |
| 18 | V | 97.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 172 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | N14 I15 G21 L22 L89 I92 | N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.47Å; I15-V18 PolarHBondContact O-N 2.88Å; V18-G21 PolarHBondContact O-N 3.46Å; V18-L22 HydrophobicContact CG1-CD1 4.01Å; V18-L22 HydrophobicContact CG1-CG 4.33Å; V18-L22 WeakPolarHBondContact O-CB 3.49Å; V18-L22 VanDerWaalsContact O-CG 3.32Å; V18-L22 WeakPolarHBondContact O-CG 3.22Å; V18-L22 PolarHBondContact O-N 3.33Å; V18-L89 HydrophobicContact CG2-CD2 4.22Å; V18-L89 HydrophobicContact CG2-CG 4.23Å; V18-I92 HydrophobicContact CG2-CD1 3.93Å |
| 19 | L | 97.2 | Very high | 96.2 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 60% | 0.602 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 178 | -62.4 | 177.6 | 0 | 0 | 0 | 112.1 | I15 P16 L17 L22 G23 | I15-L19 PolarHBondContact O-N 2.93Å; P16-L19 WeakPolarHBondContact O-CB 3.39Å; P16-L19 PolarHBondContact O-N 3.38Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.36Å; L19-L22 PolarHBondContact O-N 3.06Å; L19-G23 PolarHBondContact O-N 3.37Å |
| 20 | V | 97.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | P16 L17 L22 G23 L24 | P16-V20 WeakPolarHBondContact O-CG2 3.42Å; P16-V20 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 2.92Å; V20-L22 PolarHBondContact O-N 3.25Å; V20-G23 PolarHBondContact O-N 3.21Å; V20-L24 HydrophobicContact CG1-CD1 4.08Å; V20-L24 HydrophobicContact CG1-CG 4.47Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 2.95Å |
| 21 | G | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L17 V18 G23 L24 V25 C85 | L17-G21 PolarHBondContact O-N 3.44Å; V18-G21 PolarHBondContact O-N 3.46Å; G21-G23 VanDerWaalsContact C-N 3.34Å; G21-G23 PolarHBondContact O-N 3.07Å; G21-L24 PolarHBondContact O-N 2.93Å; G21-V25 VanDerWaalsContact O-CG2 3.31Å; G21-V25 WeakPolarHBondContact O-CG2 3.31Å; G21-V25 PolarHBondContact O-N 3.29Å; G21-C85 VanDerWaalsContact CA-SG 3.51Å |
| 22 | L | 98 | Very high | 95.9 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 177.8 | -73.2 | 173.6 | 0 | 0 | 0 | 111.6 | V18 L19 V20 L24 V25 V26 C85 | V18-L22 HydrophobicContact CG1-CD1 4.01Å; V18-L22 HydrophobicContact CG1-CG 4.33Å; V18-L22 WeakPolarHBondContact O-CB 3.49Å; V18-L22 VanDerWaalsContact O-CG 3.32Å; V18-L22 WeakPolarHBondContact O-CG 3.22Å; V18-L22 PolarHBondContact O-N 3.33Å; L19-L22 PolarHBondContact O-N 3.06Å; V20-L22 PolarHBondContact O-N 3.25Å; L22-L24 PolarHBondContact O-N 3.42Å; L22-V25 PolarHBondContact O-N 2.88Å; L22-V26 WeakPolarHBondContact O-CG2 3.41Å; L22-V26 PolarHBondContact O-N 3.11Å; L22-C85 PolarHBondContact N-SG 3.47Å |
| 23 | G | 97.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 63 Ų | 63 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | L19 V20 G21 V26 F27 | L19-G23 PolarHBondContact O-N 3.37Å; V20-G23 PolarHBondContact O-N 3.21Å; G21-G23 VanDerWaalsContact C-N 3.34Å; G21-G23 PolarHBondContact O-N 3.07Å; G23-V26 PolarHBondContact O-N 3.45Å; G23-F27 VanDerWaalsContact O-CB 3.25Å; G23-F27 WeakPolarHBondContact O-CB 3.5Å; G23-F27 PolarHBondContact O-N 3.26Å |
| 24 | L | 98 | Very high | 95.4 | Very high | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.3 | -67 | 173 | 0 | 0 | 0 | 112.4 | V20 G21 L22 G28 I77 F80 I84 | V20-L24 HydrophobicContact CG1-CD1 4.08Å; V20-L24 HydrophobicContact CG1-CG 4.47Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 2.95Å; G21-L24 PolarHBondContact O-N 2.93Å; L22-L24 PolarHBondContact O-N 3.42Å; L24-G28 PolarHBondContact O-N 2.89Å; L24-I77 HydrophobicContact CB-CG2 4.19Å; L24-I77 HydrophobicContact CD2-CG2 3.99Å; L24-F80 HydrophobicContact CD1-CD1 4.04Å; L24-F80 HydrophobicContact CD1-CE1 4.32Å; L24-I84 HydrophobicContact CD1-CD1 3.94Å |
| 25 | V | 98.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 65.7 Ų | 65.7 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 174.1 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | G21 L22 A29 F78 G81 L82 | G21-V25 VanDerWaalsContact O-CG2 3.31Å; G21-V25 WeakPolarHBondContact O-CG2 3.31Å; G21-V25 PolarHBondContact O-N 3.29Å; L22-V25 PolarHBondContact O-N 2.88Å; V25-A29 WeakPolarHBondContact O-CB 3.38Å; V25-A29 PolarHBondContact O-N 3.45Å; V25-F78 HydrophobicContact CG1-CD2 3.98Å; V25-F78 HydrophobicContact CG1-CE2 3.69Å; V25-F78 WeakPolarHBondContact O-CD2 3.29Å; V25-G81 VanDerWaalsContact CG2-C 3.48Å; V25-L82 HydrophobicContact CG1-CD2 4.49Å; V25-L82 HydrophobicContact CG2-CB 4.48Å; V25-L82 HydrophobicContact CG2-CD2 3.9Å; V25-L82 HydrophobicContact CG2-CG 3.94Å |
| 26 | V | 97.4 | Very high | 94.3 | Very high | 90 Ų | 90 | 70 Ų | 70 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 179.1 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | L22 G23 A29 L30 | L22-V26 WeakPolarHBondContact O-CG2 3.41Å; L22-V26 PolarHBondContact O-N 3.11Å; G23-V26 PolarHBondContact O-N 3.45Å; V26-A29 PolarHBondContact O-N 3.45Å; V26-L30 HydrophobicContact CG1-CD1 3.98Å; V26-L30 HydrophobicContact CG1-CG 4.41Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.4Å |
| 27 | F | 95.5 | Very high | 93.7 | Very high | 112 Ų | 112 | 70.6 Ų | 70.6 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | -179 | -176.2 | -111 | 0 | 0 | 0 | 112.5 | G23 A29 L30 I31 I77 | G23-F27 VanDerWaalsContact O-CB 3.25Å; G23-F27 WeakPolarHBondContact O-CB 3.5Å; G23-F27 PolarHBondContact O-N 3.26Å; F27-A29 VanDerWaalsContact C-N 3.33Å; F27-A29 PolarHBondContact O-N 2.91Å; F27-L30 PolarHBondContact O-N 2.87Å; F27-I31 HydrophobicContact CD1-CD1 3.91Å; F27-I31 HydrophobicContact CD2-CD1 4.49Å; F27-I31 HydrophobicContact CE1-CD1 3.38Å; F27-I31 HydrophobicContact CE2-CD1 4.03Å; F27-I31 HydrophobicContact CG-CD1 4.44Å; F27-I31 HydrophobicContact CZ-CD1 3.46Å; F27-I31 VanDerWaalsContact CZ-CD1 3.46Å; F27-I31 HydrophobicContact CZ-CG1 4.42Å; F27-I31 PolarHBondContact O-N 3.37Å; F27-I77 HydrophobicContact CD1-CD1 4.43Å; F27-I77 HydrophobicContact CD1-CG2 4.22Å; F27-I77 HydrophobicContact CE1-CD1 4.24Å |
| 28 | G | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L24 I31 R32 G74 | L24-G28 PolarHBondContact O-N 2.89Å; G28-I31 PolarHBondContact O-N 3.19Å; G28-R32 VanDerWaalsContact O-CB 3.32Å; G28-R32 WeakPolarHBondContact O-CB 3.19Å; G28-R32 PolarHBondContact O-N 3.31Å; G28-G74 CarbonylContact C-O 3.52Å; G28-G74 VanDerWaalsContact CA-O 3.27Å; G28-G74 WeakPolarHBondContact CA-O 3.49Å |
| 29 | A | 94.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 71.5 Ų | 71.5 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V25 V26 F27 I31 R32 W33 F78 | V25-A29 WeakPolarHBondContact O-CB 3.38Å; V25-A29 PolarHBondContact O-N 3.45Å; V26-A29 PolarHBondContact O-N 3.45Å; F27-A29 VanDerWaalsContact C-N 3.33Å; F27-A29 PolarHBondContact O-N 2.91Å; A29-I31 PolarHBondContact O-N 3.07Å; A29-R32 PolarHBondContact O-N 3.32Å; A29-W33 HydrophobicContact CB-CE3 3.97Å; A29-W33 HydrophobicContact CB-CZ3 4.11Å; A29-W33 WeakPolarHBondContact O-CB 3.4Å; A29-W33 PolarHBondContact O-N 3.21Å; A29-F78 HydrophobicContact CB-CD2 3.96Å; A29-F78 HydrophobicContact CB-CE2 4.2Å |
| 30 | L | 92.9 | Very high | 91.7 | Very high | 105 Ų | 105 | 73 Ų | 73 | 55% | 0.55 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.5 | -72.8 | 172.1 | 0 | 0 | 0 | 111.7 | V26 F27 N34 | V26-L30 HydrophobicContact CG1-CD1 3.98Å; V26-L30 HydrophobicContact CG1-CG 4.41Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.4Å; F27-L30 PolarHBondContact O-N 2.87Å; L30-N34 WeakPolarHBondContact O-CB 3.32Å; L30-N34 PolarHBondContact O-N 2.71Å |
| 31 | I | 90.8 | Very high | 91.1 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 177.7 | -69.4 | 172.7 | 0 | 0 | 0 | 110.9 | F27 G28 A29 F70 | F27-I31 HydrophobicContact CD1-CD1 3.91Å; F27-I31 HydrophobicContact CD2-CD1 4.49Å; F27-I31 HydrophobicContact CE1-CD1 3.38Å; F27-I31 HydrophobicContact CE2-CD1 4.03Å; F27-I31 HydrophobicContact CG-CD1 4.44Å; F27-I31 HydrophobicContact CZ-CD1 3.46Å; F27-I31 VanDerWaalsContact CZ-CD1 3.46Å; F27-I31 HydrophobicContact CZ-CG1 4.42Å; F27-I31 PolarHBondContact O-N 3.37Å; G28-I31 PolarHBondContact O-N 3.19Å; A29-I31 PolarHBondContact O-N 3.07Å; I31-F70 WeakPolarHBondContact CG2-O 3.5Å |
| 32 | R | 91.9 | Very high | 90.4 | Very high | 88 Ų | 88 | 80.9 Ų | 80.9 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.6 | -46.2 | -172.3 | 178.9 | 57.5 | -179.3 | 122.9 | 1.2 | 113.2 | G28 A29 E35 A71 L75 | G28-R32 VanDerWaalsContact O-CB 3.32Å; G28-R32 WeakPolarHBondContact O-CB 3.19Å; G28-R32 PolarHBondContact O-N 3.31Å; A29-R32 PolarHBondContact O-N 3.32Å; R32-E35 IonicContact CZ-OE2 2.75Å; R32-E35 VanDerWaalsContact NH1-CD 3.3Å; R32-E35 IonicContact NH1-OE1 3.02Å; R32-E35 PolarHBondContact NH1-OE1 3.42Å; R32-E35 IonicContact NH1-OE2 2.65Å; R32-E35 PolarHBondContact NH1-OE2 2.96Å; R32-A71 WeakPolarHBondContact CD-O 3.21Å; R32-L75 HydrophobicContact CG-CB 4.32Å |
| 33 | W | 91.7 | Very high | 89.7 | Confident | 182 Ų | 182 | 77.3 Ų | 77.3 | 69% | 0.689 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -87.9 | -9 | -175 | -84.3 | -84.8 | 0 | 0 | 0 | 113.9 | A29 F78 | A29-W33 HydrophobicContact CB-CE3 3.97Å; A29-W33 HydrophobicContact CB-CZ3 4.11Å; A29-W33 WeakPolarHBondContact O-CB 3.4Å; A29-W33 PolarHBondContact O-N 3.21Å; W33-F78 HydrophobicContact CH2-CE1 4.45Å; W33-F78 HydrophobicContact CH2-CZ 4.39Å; W33-F78 HydrophobicContact CZ3-CD2 4.29Å; W33-F78 HydrophobicContact CZ3-CE2 4.25Å; W33-F78 HydrophobicContact CZ3-CG 4.5Å; W33-F78 HydrophobicContact CZ3-CZ 4.43Å |
| 34 | N | 88.6 | Confident | 89.1 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 19.8 | 178.7 | -147.3 | 28.7 | 0 | 0 | 0 | 113 | L30 K36 L37 L38 | L30-N34 WeakPolarHBondContact O-CB 3.32Å; L30-N34 PolarHBondContact O-N 2.71Å; N34-K36 VanDerWaalsContact C-N 3.3Å; N34-K36 PolarHBondContact O-N 3.3Å; N34-L37 WeakPolarHBondContact ND2-CD2 3.29Å; N34-L37 PolarHBondContact O-N 3.48Å; N34-L37 VanDerWaalsContact O-N 3.11Å; N34-L37 WeakPolarHBondContact OD1-CB 3.43Å; N34-L38 WeakPolarHBondContact O-CG 3.48Å; N34-L38 PolarHBondContact O-N 3.3Å |
| 35 | E | 82.8 | Confident | 88.4 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 27% | 0.271 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.3 | -40.7 | -176.4 | 68.4 | -169.7 | 179.7 | 0 | 0 | 112.8 | R32 L37 L38 V39 A71 | R32-E35 IonicContact CZ-OE2 2.75Å; R32-E35 VanDerWaalsContact NH1-CD 3.3Å; R32-E35 IonicContact NH1-OE1 3.02Å; R32-E35 PolarHBondContact NH1-OE1 3.42Å; R32-E35 IonicContact NH1-OE2 2.65Å; R32-E35 PolarHBondContact NH1-OE2 2.96Å; E35-L37 PolarHBondContact O-N 3.22Å; E35-L38 WeakPolarHBondContact O-CB 3.35Å; E35-L38 PolarHBondContact O-N 2.95Å; E35-V39 WeakPolarHBondContact O-CG2 3.31Å; E35-V39 PolarHBondContact O-N 3.33Å; E35-A71 HydrophobicContact CB-CB 3.83Å; E35-A71 WeakPolarHBondContact OE2-CB 3.35Å |
| 36 | K | 84.6 | Confident | 87.5 | Confident | 174 Ų | 174 | 82.5 Ų | 82.5 | 76% | 0.757 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 177.4 | -65.7 | -173.8 | 179 | -175.9 | 0 | 112.3 | N34 L38 V39 E40 | N34-K36 VanDerWaalsContact C-N 3.3Å; N34-K36 PolarHBondContact O-N 3.3Å; K36-L38 VanDerWaalsContact C-N 3.31Å; K36-V39 PolarHBondContact O-N 3.5Å; K36-E40 WeakPolarHBondContact O-CB 3.46Å; K36-E40 PolarHBondContact O-N 3.23Å |
| 37 | L | 84.9 | Confident | 86.8 | Confident | 75 Ų | 75 | 78.6 Ų | 78.6 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 177.8 | -165.1 | 77.9 | 0 | 0 | 0 | 111.1 | N34 E35 E40 R41 | N34-L37 WeakPolarHBondContact ND2-CD2 3.29Å; N34-L37 PolarHBondContact O-N 3.48Å; N34-L37 VanDerWaalsContact O-N 3.11Å; N34-L37 WeakPolarHBondContact OD1-CB 3.43Å; E35-L37 PolarHBondContact O-N 3.22Å; L37-E40 PolarHBondContact O-N 3.21Å; L37-R41 VanDerWaalsContact O-CB 3.26Å; L37-R41 WeakPolarHBondContact O-CB 3.21Å; L37-R41 PolarHBondContact O-N 2.87Å |
| 38 | L | 80.8 | Confident | 86.3 | Confident | 56 Ų | 56 | 81.2 Ų | 81.2 | 29% | 0.293 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.4 | -68.7 | 174.4 | 0 | 0 | 0 | 111.1 | N34 E35 K36 R41 I42 I67 | N34-L38 WeakPolarHBondContact O-CG 3.48Å; N34-L38 PolarHBondContact O-N 3.3Å; E35-L38 WeakPolarHBondContact O-CB 3.35Å; E35-L38 PolarHBondContact O-N 2.95Å; K36-L38 VanDerWaalsContact C-N 3.31Å; L38-R41 PolarHBondContact O-N 3.16Å; L38-I42 HydrophobicContact CB-CD1 4.31Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 VanDerWaalsContact O-CB 3.27Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.17Å; L38-I42 PolarHBondContact O-N 3.5Å; L38-I67 HydrophobicContact CB-CG2 4.16Å |
| 39 | V | 81.9 | Confident | 85.4 | Confident | 39 Ų | 39 | 90.1 Ų | 90.1 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | E35 K36 R41 I42 T43 I67 | E35-V39 WeakPolarHBondContact O-CG2 3.31Å; E35-V39 PolarHBondContact O-N 3.33Å; K36-V39 PolarHBondContact O-N 3.5Å; V39-R41 VanDerWaalsContact C-N 3.26Å; V39-R41 PolarHBondContact O-N 3.3Å; V39-I42 PolarHBondContact O-N 3.38Å; V39-T43 WeakPolarHBondContact O-CB 3.5Å; V39-T43 PolarHBondContact O-N 2.87Å; V39-T43 PolarHBondContact O-OG1 3.07Å; V39-I67 HydrophobicContact CB-CD1 4.42Å; V39-I67 HydrophobicContact CG2-CB 4.02Å; V39-I67 HydrophobicContact CG2-CD1 4.06Å; V39-I67 HydrophobicContact CG2-CG2 3.52Å |
| 40 | E | 84.6 | Confident | 84.7 | Confident | 146 Ų | 146 | 91.2 Ų | 91.2 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.1 | -32.8 | -178.3 | -171.4 | 178.8 | 178.8 | 0 | 0 | 113 | K36 L37 P44 | K36-E40 WeakPolarHBondContact O-CB 3.46Å; K36-E40 PolarHBondContact O-N 3.23Å; L37-E40 PolarHBondContact O-N 3.21Å; E40-P44 WeakPolarHBondContact O-CD 3.37Å; E40-P44 WeakPolarHBondContact O-CG 3.36Å |
| 41 | R | 84.1 | Confident | 84.2 | Confident | 179 Ų | 179 | 94.4 Ų | 94.4 | 68% | 0.675 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -84.8 | -39.5 | -179.4 | -175.1 | 175 | -71.6 | -102.4 | -1.8 | 113.7 | L37 L38 V39 T45 | L37-R41 VanDerWaalsContact O-CB 3.26Å; L37-R41 WeakPolarHBondContact O-CB 3.21Å; L37-R41 PolarHBondContact O-N 2.87Å; L38-R41 PolarHBondContact O-N 3.16Å; V39-R41 VanDerWaalsContact C-N 3.26Å; V39-R41 PolarHBondContact O-N 3.3Å; R41-T45 PolarHBondContact O-OG1 3.36Å |
| 42 | I | 83.3 | Confident | 84 | Confident | 67 Ų | 67 | 97.1 Ų | 97.1 | 34% | 0.344 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -84.4 | -41.1 | -173.1 | -64.4 | 170.6 | 0 | 0 | 0 | 111.1 | L38 V39 T45 V46 V63 I67 | L38-I42 HydrophobicContact CB-CD1 4.31Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 VanDerWaalsContact O-CB 3.27Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.17Å; L38-I42 PolarHBondContact O-N 3.5Å; V39-I42 PolarHBondContact O-N 3.38Å; I42-T45 PolarHBondContact O-N 3.06Å; I42-T45 VanDerWaalsContact O-N 3.15Å; I42-V46 HydrophobicContact CG2-CG2 3.95Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 3.27Å; I42-V46 VanDerWaalsContact O-N 3.12Å; I42-V63 HydrophobicContact CG2-CG1 4.3Å; I42-I67 HydrophobicContact CB-CD1 3.93Å; I42-I67 HydrophobicContact CD1-CD1 4.14Å; I42-I67 HydrophobicContact CD1-CG1 4.5Å; I42-I67 HydrophobicContact CG2-CD1 4.11Å |
| 43 | T | 83.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 100.8 Ų | 100.8 | 9% | 0.092 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -52.1 | -50.2 | -178.4 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | V39 T45 V46 I47 Q60 | V39-T43 WeakPolarHBondContact O-CB 3.5Å; V39-T43 PolarHBondContact O-N 2.87Å; V39-T43 PolarHBondContact O-OG1 3.07Å; T43-T45 PolarHBondContact O-N 3.36Å; T43-V46 PolarHBondContact O-N 3.49Å; T43-I47 HydrophobicContact CG2-CD1 4.07Å; T43-I47 VanDerWaalsContact O-CG1 3.29Å; T43-I47 WeakPolarHBondContact O-CG1 3.5Å; T43-I47 PolarHBondContact O-N 3.18Å; T43-I47 VanDerWaalsContact O-N 3.13Å; T43-Q60 HydrophobicContact CG2-CG 3.93Å |
| 44 | P | 83.9 | Confident | 83.5 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 40% | 0.403 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.9 | 23.2 | -33.2 | 0 | 0 | 0 | 112.6 | E40 V46 I47 E48 | E40-P44 WeakPolarHBondContact O-CD 3.37Å; E40-P44 WeakPolarHBondContact O-CG 3.36Å; P44-V46 VanDerWaalsContact C-N 3.3Å; P44-V46 PolarHBondContact O-N 2.97Å; P44-I47 PolarHBondContact O-N 3.32Å; P44-E48 WeakPolarHBondContact O-CB 3.32Å; P44-E48 PolarHBondContact O-N 3.2Å |
| 45 | T | 84 | Confident | 83.3 | Confident | 99 Ų | 99 | 96.7 Ų | 96.7 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -33.1 | 179.2 | -54.3 | 0 | 0 | 0 | 0 | 113 | R41 I42 T43 | R41-T45 PolarHBondContact O-OG1 3.36Å; I42-T45 PolarHBondContact O-N 3.06Å; I42-T45 VanDerWaalsContact O-N 3.15Å; T43-T45 PolarHBondContact O-N 3.36Å |
| 46 | V | 79.1 | Confident | 83.5 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 38% | 0.376 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -80 | -38.2 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | I42 T43 P44 V63 | I42-V46 HydrophobicContact CG2-CG2 3.95Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 3.27Å; I42-V46 VanDerWaalsContact O-N 3.12Å; T43-V46 PolarHBondContact O-N 3.49Å; P44-V46 VanDerWaalsContact C-N 3.3Å; P44-V46 PolarHBondContact O-N 2.97Å; V46-V63 HydrophobicContact CB-CG2 4.04Å; V46-V63 HydrophobicContact CG1-CG2 3.66Å; V46-V63 HydrophobicContact CG2-CG2 4.22Å |
| 47 | I | 83.5 | Confident | 83.6 | Confident | 8 Ų | 8 | 96 Ų | 96 | 4% | 0.041 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -86.3 | -14.1 | -175.2 | 69.8 | -167.8 | 0 | 0 | 0 | 113.9 | T43 P44 E49 I50 R56 A59 Q60 | T43-I47 HydrophobicContact CG2-CD1 4.07Å; T43-I47 VanDerWaalsContact O-CG1 3.29Å; T43-I47 WeakPolarHBondContact O-CG1 3.5Å; T43-I47 PolarHBondContact O-N 3.18Å; T43-I47 VanDerWaalsContact O-N 3.13Å; P44-I47 PolarHBondContact O-N 3.32Å; I47-E49 PolarHBondContact O-N 3.44Å; I47-I50 PolarHBondContact O-N 2.98Å; I47-I50 VanDerWaalsContact O-N 3.09Å; I47-R56 HydrophobicContact CB-CG 4.05Å; I47-R56 HydrophobicContact CG2-CG 4.28Å; I47-A59 HydrophobicContact CG2-CB 4.38Å; I47-Q60 HydrophobicContact CD1-CG 4.28Å; I47-Q60 HydrophobicContact CG2-CG 3.85Å |
| 48 | E | 84 | Confident | 83.6 | Confident | 167 Ų | 167 | 94.8 Ų | 94.8 | 78% | 0.78 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.4 | 179.5 | -174.3 | 172.8 | -173.6 | 0 | 0 | 112.7 | P44 | P44-E48 WeakPolarHBondContact O-CB 3.32Å; P44-E48 PolarHBondContact O-N 3.2Å |
| 49 | E | 78 | Confident | 83.8 | Confident | 186 Ų | 186 | 92.8 Ų | 92.8 | 87% | 0.869 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.4 | 179.5 | -158.2 | 166.9 | -178.3 | 0 | 0 | 113.6 | I47 | I47-E49 PolarHBondContact O-N 3.44Š|
| 50 | I | 80.5 | Confident | 84.1 | Confident | 50 Ų | 50 | 94.7 Ų | 94.7 | 26% | 0.256 | 48% | 0.48 | S | S | . | . | trans | -107.5 | 107.4 | -173.2 | -53.6 | 177.2 | 0 | 0 | 0 | 110.6 | I47 A55 R56 A59 | I47-I50 PolarHBondContact O-N 2.98Å; I47-I50 VanDerWaalsContact O-N 3.09Å; I50-A55 HydrophobicContact CG2-CB 3.61Å; I50-R56 HydrophobicContact CG2-CB 4.26Å; I50-A59 HydrophobicContact CD1-CB 3.39Å | ||
| 51 | D | 82.3 | Confident | 84.2 | Confident | 172 Ų | 172 | 93.6 Ų | 93.6 | 92% | 0.92 | 47% | 0.473 | S | S | * | . | trans | -78.7 | -29.2 | -180 | -163 | 35.1 | 0 | 0 | 0 | 113 | ||||
| 52 | D | 85.7 | Confident | 84.2 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | trans | -78.8 | 122.9 | -179.9 | 179.6 | 77.7 | 0 | 0 | 0 | 111.9 | N54 A55 R56 | D52-N54 VanDerWaalsContact C-N 3.34Å; D52-N54 PolarHBondContact O-N 3.36Å; D52-N54 WeakPolarHBondContact OD2-CB 3.29Å; D52-N54 PolarHBondContact OD2-N 3.14Å; D52-A55 HydrophobicContact CB-CB 3.9Å; D52-A55 PolarHBondContact O-N 2.95Å; D52-A55 WeakPolarHBondContact OD2-CB 3.23Å; D52-A55 PolarHBondContact OD2-N 3.21Å; D52-R56 WeakPolarHBondContact O-CB 3.4Å; D52-R56 PolarHBondContact O-N 3.42Å | ||
| 53 | E | 87.6 | Confident | 84.3 | Confident | 165 Ų | 165 | 87.3 Ų | 87.3 | 77% | 0.771 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.9 | -38.7 | -175.6 | -170.5 | 174.6 | -171.7 | 0 | 0 | 112.5 | R56 E57 | E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.4Å; E53-E57 PolarHBondContact O-N 2.89Å |
| 54 | N | 85.9 | Confident | 84.4 | Confident | 121 Ų | 121 | 91.8 Ų | 91.8 | 65% | 0.647 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.3 | -43.2 | 178.2 | -62.4 | -51 | 0 | 0 | 0 | 111 | D52 R56 E57 A58 | D52-N54 VanDerWaalsContact C-N 3.34Å; D52-N54 PolarHBondContact O-N 3.36Å; D52-N54 WeakPolarHBondContact OD2-CB 3.29Å; D52-N54 PolarHBondContact OD2-N 3.14Å; N54-R56 VanDerWaalsContact C-N 3.28Å; N54-R56 PolarHBondContact O-N 2.9Å; N54-E57 PolarHBondContact O-N 3.35Å; N54-A58 PolarHBondContact O-N 3.4Å |
| 55 | A | 84.6 | Confident | 84.6 | Confident | 41 Ų | 41 | 94.2 Ų | 94.2 | 34% | 0.339 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I50 D52 A58 A59 | I50-A55 HydrophobicContact CG2-CB 3.61Å; D52-A55 HydrophobicContact CB-CB 3.9Å; D52-A55 PolarHBondContact O-N 2.95Å; D52-A55 WeakPolarHBondContact OD2-CB 3.23Å; D52-A55 PolarHBondContact OD2-N 3.21Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A59 VanDerWaalsContact O-CB 3.26Å; A55-A59 WeakPolarHBondContact O-CB 3.33Å; A55-A59 PolarHBondContact O-N 3.36Å |
| 56 | R | 86.8 | Confident | 84.7 | Confident | 118 Ų | 118 | 95.7 Ų | 95.7 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 175.2 | 178.9 | 169.3 | -178.8 | 172.7 | 4.7 | 112 | I47 I50 D52 E53 N54 A58 A59 Q60 | I47-R56 HydrophobicContact CB-CG 4.05Å; I47-R56 HydrophobicContact CG2-CG 4.28Å; I50-R56 HydrophobicContact CG2-CB 4.26Å; D52-R56 WeakPolarHBondContact O-CB 3.4Å; D52-R56 PolarHBondContact O-N 3.42Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.4Å; N54-R56 VanDerWaalsContact C-N 3.28Å; N54-R56 PolarHBondContact O-N 2.9Å; R56-A58 VanDerWaalsContact C-N 3.34Å; R56-A58 PolarHBondContact O-N 2.98Å; R56-A59 PolarHBondContact O-N 2.94Å; R56-Q60 WeakPolarHBondContact O-CG 3.45Å; R56-Q60 PolarHBondContact O-N 2.91Å |
| 57 | E | 87.1 | Confident | 84.9 | Confident | 99 Ų | 99 | 93.3 Ų | 93.3 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -42 | 176 | -165.2 | -168.1 | 154.5 | 0 | 0 | 111.3 | E53 N54 Q60 K61 | E53-E57 PolarHBondContact O-N 2.89Å; N54-E57 PolarHBondContact O-N 3.35Å; E57-Q60 PolarHBondContact O-N 3.39Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 VanDerWaalsContact O-N 3.13Å; E57-K61 WeakPolarHBondContact OE1-CE 3.32Å; E57-K61 IonicContact OE1-NZ 3.99Å; E57-K61 PolarHBondContact OE1-NZ 3.32Å |
| 58 | A | 84.7 | Confident | 85 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N54 A55 R56 K61 L62 | N54-A58 PolarHBondContact O-N 3.4Å; A55-A58 PolarHBondContact O-N 2.91Å; R56-A58 VanDerWaalsContact C-N 3.34Å; R56-A58 PolarHBondContact O-N 2.98Å; A58-K61 PolarHBondContact O-N 2.92Å; A58-L62 WeakPolarHBondContact O-CG 3.41Å; A58-L62 PolarHBondContact O-N 3.41Å |
| 59 | A | 84.9 | Confident | 85.1 | Confident | 14 Ų | 14 | 92 Ų | 92 | 12% | 0.116 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I47 I50 A55 R56 K61 L62 V63 | I47-A59 HydrophobicContact CG2-CB 4.38Å; I50-A59 HydrophobicContact CD1-CB 3.39Å; A55-A59 VanDerWaalsContact O-CB 3.26Å; A55-A59 WeakPolarHBondContact O-CB 3.33Å; A55-A59 PolarHBondContact O-N 3.36Å; R56-A59 PolarHBondContact O-N 2.94Å; A59-K61 PolarHBondContact O-N 2.86Å; A59-L62 PolarHBondContact O-N 2.93Å; A59-V63 WeakPolarHBondContact O-CB 3.42Å; A59-V63 VanDerWaalsContact O-CG2 3.22Å; A59-V63 WeakPolarHBondContact O-CG2 3.35Å; A59-V63 PolarHBondContact O-N 2.94Å |
| 60 | Q | 87.1 | Confident | 85.5 | Confident | 79 Ų | 79 | 89.2 Ų | 89.2 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.1 | -77.5 | -172.4 | -67.7 | 0 | 0 | 111.7 | T43 I47 R56 E57 L62 V63 E64 | T43-Q60 HydrophobicContact CG2-CG 3.93Å; I47-Q60 HydrophobicContact CD1-CG 4.28Å; I47-Q60 HydrophobicContact CG2-CG 3.85Å; R56-Q60 WeakPolarHBondContact O-CG 3.45Å; R56-Q60 PolarHBondContact O-N 2.91Å; E57-Q60 PolarHBondContact O-N 3.39Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-L62 PolarHBondContact O-N 3.36Å; Q60-V63 PolarHBondContact O-N 2.79Å; Q60-E64 WeakPolarHBondContact O-CB 3.47Å; Q60-E64 PolarHBondContact O-N 3.38Å |
| 61 | K | 87.4 | Confident | 85.9 | Confident | 122 Ų | 122 | 87 Ų | 87 | 53% | 0.53 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 177.8 | -72.5 | 173.4 | -175.9 | 163.7 | 0 | 111.7 | E57 A58 A59 E65 | E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 VanDerWaalsContact O-N 3.13Å; E57-K61 WeakPolarHBondContact OE1-CE 3.32Å; E57-K61 IonicContact OE1-NZ 3.99Å; E57-K61 PolarHBondContact OE1-NZ 3.32Å; A58-K61 PolarHBondContact O-N 2.92Å; A59-K61 PolarHBondContact O-N 2.86Å; K61-E65 WeakPolarHBondContact O-CB 3.32Å; K61-E65 PolarHBondContact O-N 3.26Å |
| 62 | L | 84.9 | Confident | 86.1 | Confident | 95 Ų | 95 | 81.7 Ų | 81.7 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 177 | -71.9 | 172.3 | 0 | 0 | 0 | 112.2 | A58 A59 Q60 E65 R66 | A58-L62 WeakPolarHBondContact O-CG 3.41Å; A58-L62 PolarHBondContact O-N 3.41Å; A59-L62 PolarHBondContact O-N 2.93Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-L62 PolarHBondContact O-N 3.36Å; L62-E65 PolarHBondContact O-N 3.45Å; L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 VanDerWaalsContact O-CG 3.25Å; L62-R66 WeakPolarHBondContact O-CG 3.48Å; L62-R66 PolarHBondContact O-N 3.26Å |
| 63 | V | 85.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 83.1 Ų | 83.1 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 178.8 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I42 V46 A59 Q60 E65 R66 I67 | I42-V63 HydrophobicContact CG2-CG1 4.3Å; V46-V63 HydrophobicContact CB-CG2 4.04Å; V46-V63 HydrophobicContact CG1-CG2 3.66Å; V46-V63 HydrophobicContact CG2-CG2 4.22Å; A59-V63 WeakPolarHBondContact O-CB 3.42Å; A59-V63 VanDerWaalsContact O-CG2 3.22Å; A59-V63 WeakPolarHBondContact O-CG2 3.35Å; A59-V63 PolarHBondContact O-N 2.94Å; Q60-V63 PolarHBondContact O-N 2.79Å; V63-E65 PolarHBondContact O-N 3.29Å; V63-R66 PolarHBondContact O-N 2.91Å; V63-I67 HydrophobicContact CG1-CD1 3.61Å; V63-I67 HydrophobicContact CG1-CG1 4.29Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 2.74Å |
| 64 | E | 85.8 | Confident | 86.7 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 176.5 | -172.9 | 175.9 | -179.5 | 0 | 0 | 111.7 | Q60 R66 I67 T68 | Q60-E64 WeakPolarHBondContact O-CB 3.47Å; Q60-E64 PolarHBondContact O-N 3.38Å; E64-R66 PolarHBondContact O-N 3.4Å; E64-I67 PolarHBondContact O-N 3.02Å; E64-T68 WeakPolarHBondContact O-CB 3.37Å; E64-T68 WeakPolarHBondContact O-CG2 3.17Å; E64-T68 PolarHBondContact O-N 3.44Å; E64-T68 PolarHBondContact O-OG1 2.97Å |
| 65 | E | 87.4 | Confident | 87.1 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.3 | -170.3 | -169.9 | 163.1 | 0 | 0 | 111.7 | K61 L62 V63 T68 L69 | K61-E65 WeakPolarHBondContact O-CB 3.32Å; K61-E65 PolarHBondContact O-N 3.26Å; L62-E65 PolarHBondContact O-N 3.45Å; V63-E65 PolarHBondContact O-N 3.29Å; E65-T68 WeakPolarHBondContact CA-OG1 3.46Å; E65-T68 PolarHBondContact O-OG1 3.3Å; E65-L69 VanDerWaalsContact O-CB 3.32Å; E65-L69 WeakPolarHBondContact O-CB 3.25Å; E65-L69 PolarHBondContact O-N 3.48Å |
| 66 | R | 85 | Confident | 87.5 | Confident | 130 Ų | 130 | 73.6 Ų | 73.6 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.1 | -71 | -68.9 | -172.9 | -78.7 | -0.3 | 111.9 | L62 V63 E64 L69 F70 | L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 VanDerWaalsContact O-CG 3.25Å; L62-R66 WeakPolarHBondContact O-CG 3.48Å; L62-R66 PolarHBondContact O-N 3.26Å; V63-R66 PolarHBondContact O-N 2.91Å; E64-R66 PolarHBondContact O-N 3.4Å; R66-L69 WeakPolarHBondContact O-CB 3.44Å; R66-L69 PolarHBondContact O-N 3.48Å; R66-F70 HydrophobicContact CB-CE2 4.44Å; R66-F70 WeakPolarHBondContact O-CD2 3.26Å; R66-F70 PolarHBondContact O-N 2.87Å |
| 67 | I | 84.7 | Confident | 88 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | -179.2 | -66.9 | 171.7 | 0 | 0 | 0 | 111.2 | L38 V39 I42 V63 E64 L69 F70 A71 | L38-I67 HydrophobicContact CB-CG2 4.16Å; V39-I67 HydrophobicContact CB-CD1 4.42Å; V39-I67 HydrophobicContact CG2-CB 4.02Å; V39-I67 HydrophobicContact CG2-CD1 4.06Å; V39-I67 HydrophobicContact CG2-CG2 3.52Å; I42-I67 HydrophobicContact CB-CD1 3.93Å; I42-I67 HydrophobicContact CD1-CD1 4.14Å; I42-I67 HydrophobicContact CD1-CG1 4.5Å; I42-I67 HydrophobicContact CG2-CD1 4.11Å; V63-I67 HydrophobicContact CG1-CD1 3.61Å; V63-I67 HydrophobicContact CG1-CG1 4.29Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 2.74Å; E64-I67 PolarHBondContact O-N 3.02Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 2.95Å; I67-F70 WeakPolarHBondContact O-CB 3.39Å; I67-F70 PolarHBondContact O-N 3.25Å; I67-F70 VanDerWaalsContact O-N 3.15Å; I67-A71 PolarHBondContact O-N 2.89Å |
| 68 | T | 85.1 | Confident | 88.5 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 175.2 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | E64 E65 A71 S72 | E64-T68 WeakPolarHBondContact O-CB 3.37Å; E64-T68 WeakPolarHBondContact O-CG2 3.17Å; E64-T68 PolarHBondContact O-N 3.44Å; E64-T68 PolarHBondContact O-OG1 2.97Å; E65-T68 WeakPolarHBondContact CA-OG1 3.46Å; E65-T68 PolarHBondContact O-OG1 3.3Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-S72 PolarHBondContact O-N 2.69Å |
| 69 | L | 86.8 | Confident | 89.1 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 40% | 0.398 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 169.7 | -177.9 | 68.5 | 0 | 0 | 0 | 111.5 | E65 R66 I67 A71 S72 Y73 | E65-L69 VanDerWaalsContact O-CB 3.32Å; E65-L69 WeakPolarHBondContact O-CB 3.25Å; E65-L69 PolarHBondContact O-N 3.48Å; R66-L69 WeakPolarHBondContact O-CB 3.44Å; R66-L69 PolarHBondContact O-N 3.48Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 2.95Å; L69-A71 VanDerWaalsContact C-N 3.31Å; L69-A71 PolarHBondContact O-N 3.02Å; L69-S72 WeakPolarHBondContact O-CB 3.28Å; L69-S72 PolarHBondContact O-N 2.91Å; L69-S72 VanDerWaalsContact O-N 3.14Å; L69-S72 PolarHBondContact O-OG 3.45Å; L69-Y73 HydrophobicContact CD1-CE2 4.19Å; L69-Y73 HydrophobicContact CD2-CE2 4.12Å; L69-Y73 HydrophobicContact CG-CE2 3.68Å; L69-Y73 WeakPolarHBondContact O-CD2 3.5Å; L69-Y73 PolarHBondContact O-N 3.3Å |
| 70 | F | 86.3 | Confident | 89.6 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.9 | -38.7 | 175.2 | -77.6 | -60 | 0 | 0 | 0 | 113.2 | I31 R66 I67 S72 Y73 G74 | I31-F70 WeakPolarHBondContact CG2-O 3.5Å; R66-F70 HydrophobicContact CB-CE2 4.44Å; R66-F70 WeakPolarHBondContact O-CD2 3.26Å; R66-F70 PolarHBondContact O-N 2.87Å; I67-F70 WeakPolarHBondContact O-CB 3.39Å; I67-F70 PolarHBondContact O-N 3.25Å; I67-F70 VanDerWaalsContact O-N 3.15Å; F70-S72 VanDerWaalsContact C-N 3.27Å; F70-S72 PolarHBondContact O-N 3.1Å; F70-Y73 HydrophobicContact CD1-CD2 4.09Å; F70-Y73 WeakPolarHBondContact O-CB 3.34Å; F70-Y73 PolarHBondContact O-N 3.11Å; F70-Y73 VanDerWaalsContact O-N 3.17Å; F70-G74 PolarHBondContact O-N 2.96Å |
| 71 | A | 87.5 | Confident | 90.2 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R32 E35 I67 T68 L69 G74 L75 | R32-A71 WeakPolarHBondContact CD-O 3.21Å; E35-A71 HydrophobicContact CB-CB 3.83Å; E35-A71 WeakPolarHBondContact OE2-CB 3.35Å; I67-A71 PolarHBondContact O-N 2.89Å; T68-A71 PolarHBondContact O-N 3.01Å; L69-A71 VanDerWaalsContact C-N 3.31Å; L69-A71 PolarHBondContact O-N 3.02Å; A71-G74 WeakPolarHBondContact O-CA 2.97Å; A71-G74 PolarHBondContact O-N 3.08Å; A71-G74 VanDerWaalsContact O-N 3.13Å; A71-L75 PolarHBondContact O-N 2.87Å |
| 72 | S | 88.3 | Confident | 90.7 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 174.4 | 81.1 | 0 | 0 | 0 | 0 | 112.5 | T68 L69 F70 G74 L75 A76 | T68-S72 PolarHBondContact O-N 2.69Å; L69-S72 WeakPolarHBondContact O-CB 3.28Å; L69-S72 PolarHBondContact O-N 2.91Å; L69-S72 VanDerWaalsContact O-N 3.14Å; L69-S72 PolarHBondContact O-OG 3.45Å; F70-S72 VanDerWaalsContact C-N 3.27Å; F70-S72 PolarHBondContact O-N 3.1Å; S72-G74 VanDerWaalsContact C-N 3.29Å; S72-G74 PolarHBondContact O-N 3.28Å; S72-L75 PolarHBondContact O-N 3.36Å; S72-A76 PolarHBondContact O-N 3.44Å |
| 73 | Y | 91.6 | Very high | 91.2 | Very high | 119 Ų | 119 | 68 Ų | 68 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 171.3 | -60.2 | -49 | 0 | 0 | 0 | 111.8 | L69 F70 L75 A76 I77 | L69-Y73 HydrophobicContact CD1-CE2 4.19Å; L69-Y73 HydrophobicContact CD2-CE2 4.12Å; L69-Y73 HydrophobicContact CG-CE2 3.68Å; L69-Y73 WeakPolarHBondContact O-CD2 3.5Å; L69-Y73 PolarHBondContact O-N 3.3Å; F70-Y73 HydrophobicContact CD1-CD2 4.09Å; F70-Y73 WeakPolarHBondContact O-CB 3.34Å; F70-Y73 PolarHBondContact O-N 3.11Å; F70-Y73 VanDerWaalsContact O-N 3.17Å; Y73-L75 VanDerWaalsContact C-N 3.3Å; Y73-L75 PolarHBondContact O-N 2.96Å; Y73-A76 PolarHBondContact O-N 3.05Å; Y73-A76 VanDerWaalsContact O-N 3.14Å; Y73-I77 VanDerWaalsContact O-CG1 3.27Å; Y73-I77 WeakPolarHBondContact O-CG1 3.32Å; Y73-I77 PolarHBondContact O-N 3.33Å |
| 74 | G | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.9 | -43.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G28 F70 A71 S72 I77 F78 | G28-G74 CarbonylContact C-O 3.52Å; G28-G74 VanDerWaalsContact CA-O 3.27Å; G28-G74 WeakPolarHBondContact CA-O 3.49Å; F70-G74 PolarHBondContact O-N 2.96Å; A71-G74 WeakPolarHBondContact O-CA 2.97Å; A71-G74 PolarHBondContact O-N 3.08Å; A71-G74 VanDerWaalsContact O-N 3.13Å; S72-G74 VanDerWaalsContact C-N 3.29Å; S72-G74 PolarHBondContact O-N 3.28Å; G74-I77 PolarHBondContact O-N 3.02Å; G74-F78 WeakPolarHBondContact O-CB 3.29Å; G74-F78 PolarHBondContact O-N 3.24Å |
| 75 | L | 93.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.1 | -178.7 | 62.3 | 0 | 0 | 0 | 112.2 | R32 A71 S72 Y73 F78 L79 | R32-L75 HydrophobicContact CG-CB 4.32Å; A71-L75 PolarHBondContact O-N 2.87Å; S72-L75 PolarHBondContact O-N 3.36Å; Y73-L75 VanDerWaalsContact C-N 3.3Å; Y73-L75 PolarHBondContact O-N 2.96Å; L75-F78 WeakPolarHBondContact O-CB 3.45Å; L75-F78 PolarHBondContact O-N 3.48Å; L75-L79 HydrophobicContact CD1-CD1 4.48Å; L75-L79 HydrophobicContact CD1-CG 4.39Å; L75-L79 HydrophobicContact CG-CD1 4.34Å; L75-L79 WeakPolarHBondContact O-CG 3.26Å; L75-L79 PolarHBondContact O-N 2.91Å |
| 76 | A | 94.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S72 Y73 F78 L79 F80 | S72-A76 PolarHBondContact O-N 3.44Å; Y73-A76 PolarHBondContact O-N 3.05Å; Y73-A76 VanDerWaalsContact O-N 3.14Å; A76-F78 VanDerWaalsContact C-N 3.33Å; A76-F78 PolarHBondContact O-N 3.33Å; A76-L79 PolarHBondContact O-N 2.81Å; A76-F80 VanDerWaalsContact O-CB 3.31Å; A76-F80 WeakPolarHBondContact O-CB 3.29Å; A76-F80 PolarHBondContact O-N 3.22Å |
| 77 | I | 96.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.1 | -67.2 | 164.6 | 0 | 0 | 0 | 110.8 | L24 F27 Y73 G74 F80 G81 | L24-I77 HydrophobicContact CB-CG2 4.19Å; L24-I77 HydrophobicContact CD2-CG2 3.99Å; F27-I77 HydrophobicContact CD1-CD1 4.43Å; F27-I77 HydrophobicContact CD1-CG2 4.22Å; F27-I77 HydrophobicContact CE1-CD1 4.24Å; Y73-I77 VanDerWaalsContact O-CG1 3.27Å; Y73-I77 WeakPolarHBondContact O-CG1 3.32Å; Y73-I77 PolarHBondContact O-N 3.33Å; G74-I77 PolarHBondContact O-N 3.02Å; I77-F80 PolarHBondContact O-N 2.94Å; I77-G81 PolarHBondContact O-N 3.45Å |
| 78 | F | 97.1 | Very high | 93.7 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 17% | 0.171 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 177.2 | 173.8 | -95.7 | 0 | 0 | 0 | 112.1 | V25 A29 W33 G74 L75 A76 F80 G81 L82 | V25-F78 HydrophobicContact CG1-CD2 3.98Å; V25-F78 HydrophobicContact CG1-CE2 3.69Å; V25-F78 WeakPolarHBondContact O-CD2 3.29Å; A29-F78 HydrophobicContact CB-CD2 3.96Å; A29-F78 HydrophobicContact CB-CE2 4.2Å; W33-F78 HydrophobicContact CH2-CE1 4.45Å; W33-F78 HydrophobicContact CH2-CZ 4.39Å; W33-F78 HydrophobicContact CZ3-CD2 4.29Å; W33-F78 HydrophobicContact CZ3-CE2 4.25Å; W33-F78 HydrophobicContact CZ3-CG 4.5Å; W33-F78 HydrophobicContact CZ3-CZ 4.43Å; G74-F78 WeakPolarHBondContact O-CB 3.29Å; G74-F78 PolarHBondContact O-N 3.24Å; L75-F78 WeakPolarHBondContact O-CB 3.45Å; L75-F78 PolarHBondContact O-N 3.48Å; A76-F78 VanDerWaalsContact C-N 3.33Å; A76-F78 PolarHBondContact O-N 3.33Å; F78-F80 VanDerWaalsContact C-N 3.32Å; F78-F80 PolarHBondContact O-N 2.92Å; F78-G81 PolarHBondContact O-N 3.46Å; F78-L82 HydrophobicContact CD1-CD1 4.06Å; F78-L82 HydrophobicContact CE1-CD1 3.39Å; F78-L82 HydrophobicContact CE1-CG 4.18Å; F78-L82 HydrophobicContact CZ-CD1 3.68Å; F78-L82 HydrophobicContact CZ-CG 4.21Å; F78-L82 PolarHBondContact O-N 3.31Å |
| 79 | L | 97.5 | Very high | 94.2 | Very high | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 179.6 | -68.1 | 176.8 | 0 | 0 | 0 | 111.9 | L75 A76 L82 F83 | L75-L79 HydrophobicContact CD1-CD1 4.48Å; L75-L79 HydrophobicContact CD1-CG 4.39Å; L75-L79 HydrophobicContact CG-CD1 4.34Å; L75-L79 WeakPolarHBondContact O-CG 3.26Å; L75-L79 PolarHBondContact O-N 2.91Å; A76-L79 PolarHBondContact O-N 2.81Å; L79-L82 PolarHBondContact O-N 2.89Å; L79-F83 WeakPolarHBondContact O-CB 3.34Å; L79-F83 PolarHBondContact O-N 2.88Å |
| 80 | F | 96.8 | Very high | 94.6 | Very high | 120 Ų | 120 | 54.4 Ų | 54.4 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 175.6 | -174.2 | -114.9 | 0 | 0 | 0 | 112 | L24 A76 I77 F78 F83 I84 | L24-F80 HydrophobicContact CD1-CD1 4.04Å; L24-F80 HydrophobicContact CD1-CE1 4.32Å; A76-F80 VanDerWaalsContact O-CB 3.31Å; A76-F80 WeakPolarHBondContact O-CB 3.29Å; A76-F80 PolarHBondContact O-N 3.22Å; I77-F80 PolarHBondContact O-N 2.94Å; F78-F80 VanDerWaalsContact C-N 3.32Å; F78-F80 PolarHBondContact O-N 2.92Å; F80-F83 PolarHBondContact O-N 3.2Å; F80-I84 HydrophobicContact CD1-CD1 3.8Å; F80-I84 HydrophobicContact CE1-CD1 3.39Å; F80-I84 HydrophobicContact CE1-CG1 4.39Å; F80-I84 HydrophobicContact CE2-CD1 4.35Å; F80-I84 HydrophobicContact CG-CD1 4.45Å; F80-I84 HydrophobicContact CZ-CD1 3.7Å; F80-I84 HydrophobicContact CZ-CG1 4.33Å; F80-I84 WeakPolarHBondContact O-CG1 3.25Å; F80-I84 PolarHBondContact O-N 3.39Å |
| 81 | G | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V25 I77 F78 F83 I84 C85 | V25-G81 VanDerWaalsContact CG2-C 3.48Å; I77-G81 PolarHBondContact O-N 3.45Å; F78-G81 PolarHBondContact O-N 3.46Å; G81-F83 VanDerWaalsContact C-N 3.34Å; G81-F83 PolarHBondContact O-N 2.91Å; G81-I84 PolarHBondContact O-N 3.24Å; G81-C85 PolarHBondContact O-N 2.93Å; G81-C85 PolarHBondContact O-SG 3.45Å |
| 82 | L | 97.8 | Very high | 95.3 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 175.3 | -78.2 | 179.8 | 0 | 0 | 0 | 111.8 | V25 F78 L79 I84 C85 V86 | V25-L82 HydrophobicContact CG1-CD2 4.49Å; V25-L82 HydrophobicContact CG2-CB 4.48Å; V25-L82 HydrophobicContact CG2-CD2 3.9Å; V25-L82 HydrophobicContact CG2-CG 3.94Å; F78-L82 HydrophobicContact CD1-CD1 4.06Å; F78-L82 HydrophobicContact CE1-CD1 3.39Å; F78-L82 HydrophobicContact CE1-CG 4.18Å; F78-L82 HydrophobicContact CZ-CD1 3.68Å; F78-L82 HydrophobicContact CZ-CG 4.21Å; F78-L82 PolarHBondContact O-N 3.31Å; L79-L82 PolarHBondContact O-N 2.89Å; L82-I84 PolarHBondContact O-N 3.37Å; L82-C85 PolarHBondContact O-N 2.83Å; L82-V86 WeakPolarHBondContact O-CB 3.36Å; L82-V86 WeakPolarHBondContact O-CG2 3.25Å; L82-V86 PolarHBondContact O-N 3.19Å |
| 83 | F | 97 | Very high | 95.6 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 177.7 | 173.8 | -101.9 | 0 | 0 | 0 | 111.8 | L79 F80 G81 V86 L87 F109 I113 | L79-F83 WeakPolarHBondContact O-CB 3.34Å; L79-F83 PolarHBondContact O-N 2.88Å; F80-F83 PolarHBondContact O-N 3.2Å; G81-F83 VanDerWaalsContact C-N 3.34Å; G81-F83 PolarHBondContact O-N 2.91Å; F83-V86 PolarHBondContact O-N 3.47Å; F83-L87 HydrophobicContact CE1-CD2 4.23Å; F83-L87 HydrophobicContact CZ-CD2 4.19Å; F83-L87 VanDerWaalsContact O-CB 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.41Å; F83-L87 PolarHBondContact O-N 3.39Å; F83-F109 HydrophobicContact CE2-CD1 4.04Å; F83-F109 HydrophobicContact CE2-CE1 4.02Å; F83-F109 HydrophobicContact CZ-CD1 4.24Å; F83-I113 HydrophobicContact CE1-CD1 4.37Å; F83-I113 HydrophobicContact CZ-CD1 4.33Å |
| 84 | I | 96.7 | Very high | 95.6 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.3 | -67.8 | 169 | 0 | 0 | 0 | 110.7 | L17 L24 F80 G81 L82 V86 L87 S88 | L17-I84 HydrophobicContact CB-CG2 4.29Å; L17-I84 WeakPolarHBondContact O-CG2 3.42Å; L24-I84 HydrophobicContact CD1-CD1 3.94Å; F80-I84 HydrophobicContact CD1-CD1 3.8Å; F80-I84 HydrophobicContact CE1-CD1 3.39Å; F80-I84 HydrophobicContact CE1-CG1 4.39Å; F80-I84 HydrophobicContact CE2-CD1 4.35Å; F80-I84 HydrophobicContact CG-CD1 4.45Å; F80-I84 HydrophobicContact CZ-CD1 3.7Å; F80-I84 HydrophobicContact CZ-CG1 4.33Å; F80-I84 WeakPolarHBondContact O-CG1 3.25Å; F80-I84 PolarHBondContact O-N 3.39Å; G81-I84 PolarHBondContact O-N 3.24Å; L82-I84 PolarHBondContact O-N 3.37Å; I84-V86 PolarHBondContact O-N 2.94Å; I84-L87 PolarHBondContact O-N 3.01Å; I84-S88 WeakPolarHBondContact O-CB 3.02Å; I84-S88 PolarHBondContact O-N 3.22Å; I84-S88 PolarHBondContact O-OG 3.35Å |
| 85 | C | 96.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.8 | -50.6 | 178.5 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | G21 L22 G81 L82 S88 L89 | G21-C85 VanDerWaalsContact CA-SG 3.51Å; L22-C85 PolarHBondContact N-SG 3.47Å; G81-C85 PolarHBondContact O-N 2.93Å; G81-C85 PolarHBondContact O-SG 3.45Å; L82-C85 PolarHBondContact O-N 2.83Å; C85-S88 PolarHBondContact O-N 3.13Å; C85-L89 VanDerWaalsContact O-CB 3.31Å; C85-L89 WeakPolarHBondContact O-CB 3.31Å; C85-L89 VanDerWaalsContact O-CG 3.22Å; C85-L89 WeakPolarHBondContact O-CG 3.44Å; C85-L89 PolarHBondContact O-N 3.05Å |
| 86 | V | 95.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 52% | 0.521 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.4 | -48 | -179.2 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | L82 F83 I84 S88 L89 C90 | L82-V86 WeakPolarHBondContact O-CB 3.36Å; L82-V86 WeakPolarHBondContact O-CG2 3.25Å; L82-V86 PolarHBondContact O-N 3.19Å; F83-V86 PolarHBondContact O-N 3.47Å; I84-V86 PolarHBondContact O-N 2.94Å; V86-S88 PolarHBondContact O-N 2.94Å; V86-L89 PolarHBondContact O-N 2.99Å; V86-C90 WeakPolarHBondContact O-CB 3.3Å; V86-C90 PolarHBondContact O-N 3.49Å; V86-C90 PolarHBondContact O-SG 2.88Å |
| 87 | L | 95.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | -179.8 | -175.7 | 62.1 | 0 | 0 | 0 | 111.5 | F83 I84 C90 G91 Y106 F109 I113 | F83-L87 HydrophobicContact CE1-CD2 4.23Å; F83-L87 HydrophobicContact CZ-CD2 4.19Å; F83-L87 VanDerWaalsContact O-CB 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.41Å; F83-L87 PolarHBondContact O-N 3.39Å; I84-L87 PolarHBondContact O-N 3.01Å; L87-C90 WeakPolarHBondContact O-CB 3.3Å; L87-C90 PolarHBondContact O-N 3.38Å; L87-G91 PolarHBondContact O-N 2.88Å; L87-G91 VanDerWaalsContact O-N 3.07Å; L87-Y106 HydrophobicContact CD1-CD2 3.73Å; L87-Y106 HydrophobicContact CD1-CE2 4.34Å; L87-Y106 HydrophobicContact CG-CD2 4.03Å; L87-Y106 HydrophobicContact CG-CE2 4.2Å; L87-Y106 VanDerWaalsContact O-CD2 3.23Å; L87-Y106 WeakPolarHBondContact O-CD2 3.49Å; L87-F109 HydrophobicContact CD1-CB 3.38Å; L87-F109 HydrophobicContact CD1-CD2 4Å; L87-F109 HydrophobicContact CD1-CG 3.89Å; L87-F109 HydrophobicContact CD2-CB 4.48Å; L87-I113 HydrophobicContact CD2-CD1 3.73Å |
| 88 | S | 96 | Very high | 95.1 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.4 | -36.8 | -179.7 | -67.9 | 0 | 0 | 0 | 0 | 113.4 | N14 L17 I84 C85 V86 G91 I92 | N14-S88 VanDerWaalsContact OD1-CA 3.25Å; N14-S88 WeakPolarHBondContact OD1-CA 3.17Å; N14-S88 VanDerWaalsContact OD1-CB 3.32Å; N14-S88 WeakPolarHBondContact OD1-CB 3.44Å; N14-S88 PolarHBondContact OD1-OG 3.24Å; L17-S88 WeakPolarHBondContact CB-OG 3.27Å; I84-S88 WeakPolarHBondContact O-CB 3.02Å; I84-S88 PolarHBondContact O-N 3.22Å; I84-S88 PolarHBondContact O-OG 3.35Å; C85-S88 PolarHBondContact O-N 3.13Å; V86-S88 PolarHBondContact O-N 2.94Å; S88-G91 PolarHBondContact O-N 3.41Å; S88-I92 WeakPolarHBondContact O-CG1 3.27Å; S88-I92 PolarHBondContact O-N 3.49Å |
| 89 | L | 95.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 171.5 | -73.2 | 171.8 | 0 | 0 | 0 | 111.4 | V18 C85 V86 G91 I92 C93 | V18-L89 HydrophobicContact CG2-CD2 4.22Å; V18-L89 HydrophobicContact CG2-CG 4.23Å; C85-L89 VanDerWaalsContact O-CB 3.31Å; C85-L89 WeakPolarHBondContact O-CB 3.31Å; C85-L89 VanDerWaalsContact O-CG 3.22Å; C85-L89 WeakPolarHBondContact O-CG 3.44Å; C85-L89 PolarHBondContact O-N 3.05Å; V86-L89 PolarHBondContact O-N 2.99Å; L89-G91 VanDerWaalsContact C-N 3.26Å; L89-G91 PolarHBondContact O-N 2.95Å; L89-I92 PolarHBondContact O-N 3.46Å; L89-C93 WeakPolarHBondContact O-CB 3.46Å; L89-C93 PolarHBondContact O-N 3.47Å; L89-C93 PolarHBondContact O-SG 3.38Å; L89-C93 VanDerWaalsContact O-SG 3.4Å |
| 90 | C | 94.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 171.9 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | V86 L87 G94 | V86-C90 WeakPolarHBondContact O-CB 3.3Å; V86-C90 PolarHBondContact O-N 3.49Å; V86-C90 PolarHBondContact O-SG 2.88Å; L87-C90 WeakPolarHBondContact O-CB 3.3Å; L87-C90 PolarHBondContact O-N 3.38Å; C90-G94 WeakPolarHBondContact O-CA 3.45Å; C90-G94 PolarHBondContact O-N 3.17Å |
| 91 | G | 93.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -53.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L10 L87 S88 L89 V95 | L10-G91 WeakPolarHBondContact CD2-O 3.5Å; L87-G91 PolarHBondContact O-N 2.88Å; L87-G91 VanDerWaalsContact O-N 3.07Å; S88-G91 PolarHBondContact O-N 3.41Å; L89-G91 VanDerWaalsContact C-N 3.26Å; L89-G91 PolarHBondContact O-N 2.95Å; G91-V95 WeakPolarHBondContact O-CG2 3.42Å; G91-V95 PolarHBondContact O-N 3.13Å |
| 92 | I | 95.7 | Very high | 94.4 | Very high | 30 Ų | 30 | 51 Ų | 51 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -54.2 | -178.6 | -62.8 | 167.2 | 0 | 0 | 0 | 110.9 | N14 I15 V18 S88 L89 G94 V95 C96 | N14-I92 HydrophobicContact CB-CD1 3.93Å; N14-I92 HydrophobicContact CB-CG1 3.63Å; I15-I92 HydrophobicContact CG1-CD1 4.22Å; V18-I92 HydrophobicContact CG2-CD1 3.93Å; S88-I92 WeakPolarHBondContact O-CG1 3.27Å; S88-I92 PolarHBondContact O-N 3.49Å; L89-I92 PolarHBondContact O-N 3.46Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 3.21Å; I92-V95 PolarHBondContact O-N 2.95Å; I92-C96 WeakPolarHBondContact O-CB 3.02Å; I92-C96 PolarHBondContact O-N 3.39Å; I92-C96 PolarHBondContact O-SG 3.37Å; I92-C96 VanDerWaalsContact O-SG 3.34Å |
| 93 | C | 94 | Very high | 94.2 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | -179.3 | -65 | 0 | 0 | 0 | 0 | 111.9 | L89 V95 C97 L102 | L89-C93 WeakPolarHBondContact O-CB 3.46Å; L89-C93 PolarHBondContact O-N 3.47Å; L89-C93 PolarHBondContact O-SG 3.38Å; L89-C93 VanDerWaalsContact O-SG 3.4Å; C93-V95 VanDerWaalsContact C-N 3.28Å; C93-V95 PolarHBondContact O-N 3.21Å; C93-C97 WeakPolarHBondContact O-CA 3.27Å; C93-C97 WeakPolarHBondContact O-CB 3.21Å; C93-C97 PolarHBondContact O-N 3.44Å; C93-C97 PolarHBondContact O-SG 3.14Å; C93-L102 HydrophobicContact CB-CD1 3.77Å |
| 94 | G | 92.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C90 I92 K98 S99 | C90-G94 WeakPolarHBondContact O-CA 3.45Å; C90-G94 PolarHBondContact O-N 3.17Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 3.21Å; G94-K98 CarbonylContact O-C 3.26Å; G94-K98 WeakPolarHBondContact O-CA 3.13Å; G94-K98 PolarHBondContact O-N 3.14Å; G94-S99 PolarHBondContact O-N 3.32Å |
| 95 | V | 94 | Very high | 94 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -77.6 | -54 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | S7 L10 V11 G91 I92 C93 C97 K98 L103 L258 Y262 | S7-V95 VanDerWaalsContact CB-CG1 3.45Å; L10-V95 HydrophobicContact CB-CG2 4.49Å; L10-V95 HydrophobicContact CD1-CG2 4.15Å; L10-V95 HydrophobicContact CD2-CG2 3.88Å; L10-V95 HydrophobicContact CG-CG2 4.41Å; V11-V95 HydrophobicContact CG2-CB 4.13Å; V11-V95 HydrophobicContact CG2-CG1 3.95Å; G91-V95 WeakPolarHBondContact O-CG2 3.42Å; G91-V95 PolarHBondContact O-N 3.13Å; I92-V95 PolarHBondContact O-N 2.95Å; C93-V95 VanDerWaalsContact C-N 3.28Å; C93-V95 PolarHBondContact O-N 3.21Å; V95-C97 PolarHBondContact O-N 3.31Å; V95-K98 PolarHBondContact O-N 3.29Å; V95-L103 HydrophobicContact CG2-CD1 4.3Å; V95-L258 HydrophobicContact CG2-CD1 4.05Å; V95-Y262 PolarHBondContact O-OH 2.85Å |
| 96 | C | 91.7 | Very high | 94 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 57% | 0.568 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | -174.4 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | I92 K98 | I92-C96 WeakPolarHBondContact O-CB 3.02Å; I92-C96 PolarHBondContact O-N 3.39Å; I92-C96 PolarHBondContact O-SG 3.37Å; I92-C96 VanDerWaalsContact O-SG 3.34Å; C96-K98 VanDerWaalsContact C-N 3.3Å |
| 97 | C | 90.7 | Very high | 94 | Very high | 90 Ų | 90 | 43.5 Ų | 43.5 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.8 | 178.8 | -51.7 | 0 | 0 | 0 | 0 | 112.7 | C93 V95 S99 | C93-C97 WeakPolarHBondContact O-CA 3.27Å; C93-C97 WeakPolarHBondContact O-CB 3.21Å; C93-C97 PolarHBondContact O-N 3.44Å; C93-C97 PolarHBondContact O-SG 3.14Å; V95-C97 PolarHBondContact O-N 3.31Å; C97-S99 PolarHBondContact O-N 2.87Å; C97-S99 VanDerWaalsContact O-N 3.09Å |
| 98 | K | 89.9 | Confident | 94 | Very high | 128 Ų | 128 | 45 Ų | 45 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 34.4 | -172.2 | -55.2 | -178.9 | -179.6 | 170 | 0 | 112.6 | G94 V95 C96 K100 Y262 | G94-K98 CarbonylContact O-C 3.26Å; G94-K98 WeakPolarHBondContact O-CA 3.13Å; G94-K98 PolarHBondContact O-N 3.14Å; V95-K98 PolarHBondContact O-N 3.29Å; C96-K98 VanDerWaalsContact C-N 3.3Å; K98-K100 PolarHBondContact O-N 3.26Å; K98-Y262 HydrophobicContact CB-CD1 4.4Å; K98-Y262 HydrophobicContact CB-CD2 4.5Å; K98-Y262 HydrophobicContact CB-CE1 4.05Å; K98-Y262 HydrophobicContact CB-CE2 4.18Å; K98-Y262 HydrophobicContact CD-CE1 4.09Å; K98-Y262 HydrophobicContact CG-CE1 3.8Å; K98-Y262 HydrophobicContact CG-CE2 4.47Å |
| 99 | S | 92.7 | Very high | 94 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -82.6 | 111 | -176.4 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | G94 C97 I101 L102 L103 | G94-S99 PolarHBondContact O-N 3.32Å; C97-S99 PolarHBondContact O-N 2.87Å; C97-S99 VanDerWaalsContact O-N 3.09Å; S99-I101 PolarHBondContact O-N 2.96Å; S99-L102 PolarHBondContact O-N 2.98Å; S99-L102 PolarHBondContact OG-N 3.38Å; S99-L103 WeakPolarHBondContact O-CB 3.25Å; S99-L103 PolarHBondContact O-N 3.4Å; S99-L103 VanDerWaalsContact O-N 3.07Å | ||
| 100 | K | 92.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -32.7 | 178.1 | -62.2 | -167.6 | -64.6 | 174.1 | 0 | 112.6 | K98 G104 L259 | K98-K100 PolarHBondContact O-N 3.26Å; K100-G104 WeakPolarHBondContact O-CA 3.46Å; K100-G104 PolarHBondContact O-N 2.95Å; K100-L259 HydrophobicContact CB-CD1 3.81Å; K100-L259 HydrophobicContact CG-CD1 4.2Å; K100-L259 WeakPolarHBondContact O-CD1 3.32Å |
| 101 | I | 94.3 | Very high | 94.2 | Very high | 130 Ų | 130 | 48.3 Ų | 48.3 | 67% | 0.667 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.2 | -52.2 | -178.9 | -60.9 | 174.2 | 0 | 0 | 0 | 109.7 | S99 L103 G104 L105 | S99-I101 PolarHBondContact O-N 2.96Å; I101-L103 PolarHBondContact O-N 3.43Å; I101-G104 PolarHBondContact O-N 3.47Å; I101-L105 HydrophobicContact CG2-CD1 4.28Å; I101-L105 WeakPolarHBondContact O-CG 3.24Å; I101-L105 PolarHBondContact O-N 3.46Å |
| 102 | L | 94.5 | Very high | 94.3 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | -179.5 | -68.2 | 174.5 | 0 | 0 | 0 | 112.1 | C93 S99 G104 L105 Y106 | C93-L102 HydrophobicContact CB-CD1 3.77Å; S99-L102 PolarHBondContact O-N 2.98Å; S99-L102 PolarHBondContact OG-N 3.38Å; L102-G104 VanDerWaalsContact C-N 3.33Å; L102-L105 PolarHBondContact O-N 3.21Å; L102-Y106 WeakPolarHBondContact O-CB 3.36Å; L102-Y106 PolarHBondContact O-N 2.89Å |
| 103 | L | 94.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 177.1 | -172.3 | 64.5 | 0 | 0 | 0 | 112 | L10 V95 S99 I101 Y106 A107 L258 L259 Y262 | L10-L103 HydrophobicContact CD1-CD1 4.32Å; V95-L103 HydrophobicContact CG2-CD1 4.3Å; S99-L103 WeakPolarHBondContact O-CB 3.25Å; S99-L103 PolarHBondContact O-N 3.4Å; S99-L103 VanDerWaalsContact O-N 3.07Å; I101-L103 PolarHBondContact O-N 3.43Å; L103-Y106 HydrophobicContact CD1-CD1 4.39Å; L103-A107 WeakPolarHBondContact O-CB 3.32Å; L103-A107 PolarHBondContact O-N 3.2Å; L103-L258 HydrophobicContact CD2-CB 3.71Å; L103-L259 HydrophobicContact CD2-CB 4.17Å; L103-Y262 HydrophobicContact CD2-CD2 3.97Å; L103-Y262 HydrophobicContact CD2-CE2 3.93Å |
| 104 | G | 94.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K100 I101 L102 A107 A108 | K100-G104 WeakPolarHBondContact O-CA 3.46Å; K100-G104 PolarHBondContact O-N 2.95Å; I101-G104 PolarHBondContact O-N 3.47Å; L102-G104 VanDerWaalsContact C-N 3.33Å; G104-A107 PolarHBondContact O-N 3.48Å; G104-A108 WeakPolarHBondContact O-CB 3.35Å; G104-A108 PolarHBondContact O-N 2.93Å |
| 105 | L | 95.1 | Very high | 94.8 | Very high | 83 Ų | 83 | 58.1 Ų | 58.1 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.5 | -71.7 | 173.7 | 0 | 0 | 0 | 111 | I101 L102 A107 A108 F109 | I101-L105 HydrophobicContact CG2-CD1 4.28Å; I101-L105 WeakPolarHBondContact O-CG 3.24Å; I101-L105 PolarHBondContact O-N 3.46Å; L102-L105 PolarHBondContact O-N 3.21Å; L105-A107 PolarHBondContact O-N 2.92Å; L105-A108 PolarHBondContact O-N 3.42Å; L105-F109 WeakPolarHBondContact O-CD2 3.46Å; L105-F109 PolarHBondContact O-N 3.39Å |
| 106 | Y | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56 | -48.2 | 175.5 | 178.1 | -107.6 | 0 | 0 | 0 | 111.9 | L10 N14 L87 L102 L103 A108 F109 L110 S255 | L10-Y106 HydrophobicContact CD1-CD1 4.4Å; L10-Y106 HydrophobicContact CD1-CE1 3.84Å; L10-Y106 HydrophobicContact CD2-CE1 4.15Å; L10-Y106 HydrophobicContact CG-CE1 4.13Å; N14-Y106 PolarHBondContact ND2-OH 2.95Å; N14-Y106 VanDerWaalsContact ND2-OH 3.08Å; L87-Y106 HydrophobicContact CD1-CD2 3.73Å; L87-Y106 HydrophobicContact CD1-CE2 4.34Å; L87-Y106 HydrophobicContact CG-CD2 4.03Å; L87-Y106 HydrophobicContact CG-CE2 4.2Å; L87-Y106 VanDerWaalsContact O-CD2 3.23Å; L87-Y106 WeakPolarHBondContact O-CD2 3.49Å; L102-Y106 WeakPolarHBondContact O-CB 3.36Å; L102-Y106 PolarHBondContact O-N 2.89Å; L103-Y106 HydrophobicContact CD1-CD1 4.39Å; Y106-A108 PolarHBondContact O-N 3.02Å; Y106-F109 PolarHBondContact O-N 3.38Å; Y106-L110 HydrophobicContact CD1-CD1 3.91Å; Y106-L110 HydrophobicContact CD1-CG 4.47Å; Y106-L110 HydrophobicContact CE1-CD1 3.32Å; Y106-L110 HydrophobicContact CE1-CG 4.13Å; Y106-L110 HydrophobicContact CE2-CD1 4.25Å; Y106-L110 HydrophobicContact CE2-CD2 4.45Å; Y106-L110 HydrophobicContact CE2-CG 4.25Å; Y106-L110 WeakPolarHBondContact O-CG 3.39Å; Y106-L110 PolarHBondContact O-N 3Å; Y106-S255 WeakPolarHBondContact CD1-OG 3.33Å; Y106-S255 VanDerWaalsContact CE1-OG 3.26Å; Y106-S255 WeakPolarHBondContact CE1-OG 3.48Å |
| 107 | A | 95.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L103 G104 L105 L110 L111 I256 | L103-A107 WeakPolarHBondContact O-CB 3.32Å; L103-A107 PolarHBondContact O-N 3.2Å; G104-A107 PolarHBondContact O-N 3.48Å; L105-A107 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 2.96Å; A107-L111 WeakPolarHBondContact O-CG 3.27Å; A107-L111 PolarHBondContact O-N 3.48Å; A107-I256 HydrophobicContact CB-CG1 4.36Å |
| 108 | A | 96.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G104 L105 Y106 L110 L111 V112 | G104-A108 WeakPolarHBondContact O-CB 3.35Å; G104-A108 PolarHBondContact O-N 2.93Å; L105-A108 PolarHBondContact O-N 3.42Å; Y106-A108 PolarHBondContact O-N 3.02Å; A108-L110 PolarHBondContact O-N 3.49Å; A108-L111 PolarHBondContact O-N 2.89Å; A108-V112 WeakPolarHBondContact O-CG2 3.42Å; A108-V112 PolarHBondContact O-N 3.28Å |
| 109 | F | 95.9 | Very high | 96 | Very high | 92 Ų | 92 | 55 Ų | 55 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.5 | -81.7 | -68.8 | 0 | 0 | 0 | 112.3 | F83 L87 L105 Y106 L111 V112 I113 | F83-F109 HydrophobicContact CE2-CD1 4.04Å; F83-F109 HydrophobicContact CE2-CE1 4.02Å; F83-F109 HydrophobicContact CZ-CD1 4.24Å; L87-F109 HydrophobicContact CD1-CB 3.38Å; L87-F109 HydrophobicContact CD1-CD2 4Å; L87-F109 HydrophobicContact CD1-CG 3.89Å; L87-F109 HydrophobicContact CD2-CB 4.48Å; L105-F109 WeakPolarHBondContact O-CD2 3.46Å; L105-F109 PolarHBondContact O-N 3.39Å; Y106-F109 PolarHBondContact O-N 3.38Å; F109-L111 VanDerWaalsContact C-N 3.31Å; F109-L111 PolarHBondContact O-N 2.64Å; F109-V112 PolarHBondContact O-N 2.95Å; F109-I113 VanDerWaalsContact O-CG1 3.3Å; F109-I113 WeakPolarHBondContact O-CG1 3.43Å; F109-I113 PolarHBondContact O-N 3.42Å |
| 110 | L | 96.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 174.5 | -76.1 | -176.5 | 0 | 0 | 0 | 112.4 | Y106 A107 A108 I113 F114 F251 A252 | Y106-L110 HydrophobicContact CD1-CD1 3.91Å; Y106-L110 HydrophobicContact CD1-CG 4.47Å; Y106-L110 HydrophobicContact CE1-CD1 3.32Å; Y106-L110 HydrophobicContact CE1-CG 4.13Å; Y106-L110 HydrophobicContact CE2-CD1 4.25Å; Y106-L110 HydrophobicContact CE2-CD2 4.45Å; Y106-L110 HydrophobicContact CE2-CG 4.25Å; Y106-L110 WeakPolarHBondContact O-CG 3.39Å; Y106-L110 PolarHBondContact O-N 3Å; A107-L110 PolarHBondContact O-N 2.96Å; A108-L110 PolarHBondContact O-N 3.49Å; L110-I113 PolarHBondContact O-N 3.34Å; L110-F114 VanDerWaalsContact O-CB 3.24Å; L110-F114 WeakPolarHBondContact O-CB 3.3Å; L110-F114 PolarHBondContact O-N 3.47Å; L110-F251 HydrophobicContact CD1-CB 3.68Å; L110-A252 HydrophobicContact CB-CB 4.14Å |
| 111 | L | 96.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 38% | 0.382 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.2 | -74.9 | 171.4 | 0 | 0 | 0 | 111.7 | A107 A108 F109 F114 L115 A252 I256 | A107-L111 WeakPolarHBondContact O-CG 3.27Å; A107-L111 PolarHBondContact O-N 3.48Å; A108-L111 PolarHBondContact O-N 2.89Å; F109-L111 VanDerWaalsContact C-N 3.31Å; F109-L111 PolarHBondContact O-N 2.64Å; L111-F114 PolarHBondContact O-N 3.32Å; L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-A252 HydrophobicContact CD2-CB 4.19Å; L111-A252 HydrophobicContact CG-CB 4.47Å; L111-I256 HydrophobicContact CD1-CD1 4.44Å |
| 112 | V | 97.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 54 Ų | 54 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | A108 F109 F114 L115 A116 | A108-V112 WeakPolarHBondContact O-CG2 3.42Å; A108-V112 PolarHBondContact O-N 3.28Å; F109-V112 PolarHBondContact O-N 2.95Å; V112-F114 VanDerWaalsContact C-N 3.34Å; V112-F114 PolarHBondContact O-N 3.34Å; V112-L115 PolarHBondContact O-N 2.83Å; V112-A116 WeakPolarHBondContact O-CB 3.49Å; V112-A116 PolarHBondContact O-N 2.84Å |
| 113 | I | 96.5 | Very high | 96.8 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 26% | 0.256 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 177 | -68.6 | 166.2 | 0 | 0 | 0 | 110.5 | F83 L87 F109 L110 L115 A116 L117 T248 | F83-I113 HydrophobicContact CE1-CD1 4.37Å; F83-I113 HydrophobicContact CZ-CD1 4.33Å; L87-I113 HydrophobicContact CD2-CD1 3.73Å; F109-I113 VanDerWaalsContact O-CG1 3.3Å; F109-I113 WeakPolarHBondContact O-CG1 3.43Å; F109-I113 PolarHBondContact O-N 3.42Å; L110-I113 PolarHBondContact O-N 3.34Å; I113-L115 PolarHBondContact O-N 3.48Å; I113-A116 PolarHBondContact O-N 3.46Å; I113-L117 HydrophobicContact CG2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CG 4.24Å; I113-L117 WeakPolarHBondContact O-CB 3.4Å; I113-L117 WeakPolarHBondContact O-CG 3.2Å; I113-L117 PolarHBondContact O-N 2.96Å; I113-T248 HydrophobicContact CG2-CG2 4.17Å |
| 114 | F | 97.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -47 | 177 | 169.2 | -99 | 0 | 0 | 0 | 111.7 | L110 L111 V112 L117 L118 L245 F249 | L110-F114 VanDerWaalsContact O-CB 3.24Å; L110-F114 WeakPolarHBondContact O-CB 3.3Å; L110-F114 PolarHBondContact O-N 3.47Å; L111-F114 PolarHBondContact O-N 3.32Å; V112-F114 VanDerWaalsContact C-N 3.34Å; V112-F114 PolarHBondContact O-N 3.34Å; F114-L117 PolarHBondContact O-N 2.93Å; F114-L118 HydrophobicContact CE1-CD2 4.38Å; F114-L118 VanDerWaalsContact O-CB 3.26Å; F114-L118 WeakPolarHBondContact O-CB 3.37Å; F114-L118 PolarHBondContact O-N 3.47Å; F114-L245 HydrophobicContact CD2-CG 4.03Å; F114-L245 HydrophobicContact CE2-CD1 4.3Å; F114-L245 HydrophobicContact CE2-CD2 3.74Å; F114-L245 HydrophobicContact CE2-CG 3.66Å; F114-L245 HydrophobicContact CZ-CD2 4.5Å; F114-F249 HydrophobicContact CD2-CB 3.89Å; F114-F249 HydrophobicContact CD2-CD2 4.46Å; F114-F249 HydrophobicContact CE1-CD2 4.44Å; F114-F249 HydrophobicContact CE2-CB 3.71Å; F114-F249 AromaticContact CE2-CD2 3.93Å; F114-F249 HydrophobicContact CE2-CD2 3.93Å; F114-F249 HydrophobicContact CE2-CG 4.2Å; F114-F249 AromaticContact CZ-CD2 3.92Å; F114-F249 HydrophobicContact CZ-CD2 3.92Å |
| 115 | L | 98 | Very high | 97 | Very high | 101 Ų | 101 | 56 Ų | 56 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 178.4 | -68.9 | 174.6 | 0 | 0 | 0 | 111.8 | L111 V112 I113 L118 V119 | L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.23Å; V112-L115 PolarHBondContact O-N 2.83Å; I113-L115 PolarHBondContact O-N 3.48Å; L115-L118 PolarHBondContact O-N 3.4Å; L115-V119 WeakPolarHBondContact O-CG2 3.01Å; L115-V119 PolarHBondContact O-N 3.5Å |
| 116 | A | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V112 I113 L118 V119 F120 | V112-A116 WeakPolarHBondContact O-CB 3.49Å; V112-A116 PolarHBondContact O-N 2.84Å; I113-A116 PolarHBondContact O-N 3.46Å; A116-L118 VanDerWaalsContact C-N 3.32Å; A116-L118 PolarHBondContact O-N 2.95Å; A116-V119 PolarHBondContact O-N 3.46Å; A116-F120 WeakPolarHBondContact O-CB 3.39Å; A116-F120 PolarHBondContact O-N 3.32Å |
| 117 | L | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 63.4 Ų | 63.4 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 175.7 | -76.1 | 177 | 0 | 0 | 0 | 112 | I113 F114 F120 T121 L241 L244 T248 | I113-L117 HydrophobicContact CG2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CG 4.24Å; I113-L117 WeakPolarHBondContact O-CB 3.4Å; I113-L117 WeakPolarHBondContact O-CG 3.2Å; I113-L117 PolarHBondContact O-N 2.96Å; F114-L117 PolarHBondContact O-N 2.93Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-T121 WeakPolarHBondContact O-CB 3.44Å; L117-T121 PolarHBondContact O-N 2.92Å; L117-T121 PolarHBondContact O-OG1 3.01Å; L117-L241 HydrophobicContact CD2-CD2 4.41Å; L117-L244 HydrophobicContact CD1-CB 4.22Å; L117-T248 HydrophobicContact CD1-CG2 4.09Å |
| 118 | L | 98.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 66.3 Ų | 66.3 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -52.2 | 177.1 | 179.7 | 66.3 | 0 | 0 | 0 | 110.8 | F114 L115 A116 F120 T121 I122 L245 | F114-L118 HydrophobicContact CE1-CD2 4.38Å; F114-L118 VanDerWaalsContact O-CB 3.26Å; F114-L118 WeakPolarHBondContact O-CB 3.37Å; F114-L118 PolarHBondContact O-N 3.47Å; L115-L118 PolarHBondContact O-N 3.4Å; A116-L118 VanDerWaalsContact C-N 3.32Å; A116-L118 PolarHBondContact O-N 2.95Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.17Å; L118-T121 PolarHBondContact O-N 2.62Å; L118-I122 HydrophobicContact CD1-CD1 3.88Å; L118-I122 HydrophobicContact CD1-CG1 4.38Å; L118-I122 HydrophobicContact CG-CD1 3.91Å; L118-I122 WeakPolarHBondContact O-CB 3.27Å; L118-I122 VanDerWaalsContact O-CG1 3.23Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 3.02Å; L118-L245 HydrophobicContact CB-CD1 3.75Å; L118-L245 HydrophobicContact CD1-CD1 3.68Å; L118-L245 HydrophobicContact CG-CD1 4.33Å |
| 119 | V | 98.2 | Very high | 96.9 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -47.5 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | L115 A116 T121 I122 V123 | L115-V119 WeakPolarHBondContact O-CG2 3.01Å; L115-V119 PolarHBondContact O-N 3.5Å; A116-V119 PolarHBondContact O-N 3.46Å; V119-T121 PolarHBondContact O-N 3.15Å; V119-I122 PolarHBondContact O-N 2.8Å; V119-V123 HydrophobicContact CG1-CG2 4.41Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 2.89Å |
| 120 | F | 97.7 | Very high | 96.8 | Very high | 108 Ų | 108 | 72.3 Ų | 72.3 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 179.1 | -177.8 | -103.8 | 0 | 0 | 0 | 112.1 | A116 L117 L118 I122 V123 F124 L241 | A116-F120 WeakPolarHBondContact O-CB 3.39Å; A116-F120 PolarHBondContact O-N 3.32Å; L117-F120 PolarHBondContact O-N 3.27Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.17Å; F120-I122 PolarHBondContact O-N 3Å; F120-V123 PolarHBondContact O-N 2.98Å; F120-F124 HydrophobicContact CZ-CD2 4.41Å; F120-F124 WeakPolarHBondContact O-CB 3.32Å; F120-F124 PolarHBondContact O-N 3.49Å; F120-L241 HydrophobicContact CD1-CD1 3.83Å; F120-L241 HydrophobicContact CD1-CD2 3.79Å; F120-L241 HydrophobicContact CD1-CG 4.46Å; F120-L241 HydrophobicContact CE1-CD1 3.54Å; F120-L241 HydrophobicContact CE1-CD2 3.75Å; F120-L241 HydrophobicContact CE1-CG 4.29Å |
| 121 | T | 97.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 74.8 Ų | 74.8 | 9% | 0.086 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | -179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | L117 L118 V119 G125 L238 L241 I242 | L117-T121 WeakPolarHBondContact O-CB 3.44Å; L117-T121 PolarHBondContact O-N 2.92Å; L117-T121 PolarHBondContact O-OG1 3.01Å; L118-T121 PolarHBondContact O-N 2.62Å; V119-T121 PolarHBondContact O-N 3.15Å; T121-G125 PolarHBondContact O-N 3.27Å; T121-L238 HydrophobicContact CG2-CD1 4.06Å; T121-L241 HydrophobicContact CG2-CB 4.01Å; T121-I242 HydrophobicContact CG2-CG1 3.95Å |
| 122 | I | 97.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 74.4 Ų | 74.4 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 175.6 | -69.1 | 167.4 | 0 | 0 | 0 | 110 | L118 V119 F120 F124 G125 T126 | L118-I122 HydrophobicContact CD1-CD1 3.88Å; L118-I122 HydrophobicContact CD1-CG1 4.38Å; L118-I122 HydrophobicContact CG-CD1 3.91Å; L118-I122 WeakPolarHBondContact O-CB 3.27Å; L118-I122 VanDerWaalsContact O-CG1 3.23Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 3.02Å; V119-I122 PolarHBondContact O-N 2.8Å; F120-I122 PolarHBondContact O-N 3Å; I122-F124 PolarHBondContact O-N 3.49Å; I122-G125 PolarHBondContact O-N 2.89Å; I122-T126 HydrophobicContact CG2-CG2 4.18Å; I122-T126 VanDerWaalsContact O-CB 3.28Å; I122-T126 WeakPolarHBondContact O-CB 3.29Å; I122-T126 WeakPolarHBondContact O-CG2 3.48Å; I122-T126 PolarHBondContact O-N 3.26Å; I122-T126 PolarHBondContact O-OG1 3.42Å |
| 123 | V | 96.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 73.6 Ų | 73.6 | 39% | 0.394 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 179.6 | 172 | 0 | 0 | 0 | 0 | 110.5 | V119 F120 T126 R127 | V119-V123 HydrophobicContact CG1-CG2 4.41Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 2.89Å; F120-V123 PolarHBondContact O-N 2.98Å; V123-T126 PolarHBondContact O-OG1 2.74Å; V123-R127 HydrophobicContact CG1-CG 4.37Å; V123-R127 VanDerWaalsContact O-CB 3.25Å; V123-R127 WeakPolarHBondContact O-CB 3.33Å; V123-R127 WeakPolarHBondContact O-CG 3.34Å; V123-R127 PolarHBondContact O-N 3.29Å |
| 124 | F | 96.2 | Very high | 96.4 | Very high | 20 Ų | 20 | 74.1 Ų | 74.1 | 9% | 0.088 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57 | -56.3 | 177.2 | -170.6 | -101 | 0 | 0 | 0 | 110 | F120 I122 T126 F131 Y234 I237 L238 L241 | F120-F124 HydrophobicContact CZ-CD2 4.41Å; F120-F124 WeakPolarHBondContact O-CB 3.32Å; F120-F124 PolarHBondContact O-N 3.49Å; I122-F124 PolarHBondContact O-N 3.49Å; F124-T126 PolarHBondContact O-N 3.44Å; F124-F131 HydrophobicContact CD2-CE1 4.32Å; F124-F131 AromaticContact CD2-CE2 3.77Å; F124-F131 HydrophobicContact CD2-CE2 3.77Å; F124-F131 AromaticContact CD2-CZ 3.65Å; F124-F131 HydrophobicContact CD2-CZ 3.65Å; F124-F131 HydrophobicContact CE2-CE1 4.27Å; F124-F131 HydrophobicContact CE2-CE2 4.27Å; F124-F131 HydrophobicContact CE2-CZ 4.05Å; F124-F131 HydrophobicContact CG-CE2 4.47Å; F124-Y234 HydrophobicContact CD1-CE2 4.1Å; F124-Y234 HydrophobicContact CD2-CE2 4.38Å; F124-Y234 AromaticContact CE1-CD2 3.75Å; F124-Y234 HydrophobicContact CE1-CD2 3.75Å; F124-Y234 AromaticContact CE1-CE2 3.58Å; F124-Y234 HydrophobicContact CE1-CE2 3.58Å; F124-Y234 HydrophobicContact CE1-CG 4.3Å; F124-Y234 HydrophobicContact CE2-CD2 4.04Å; F124-Y234 AromaticContact CE2-CE2 3.9Å; F124-Y234 HydrophobicContact CE2-CE2 3.9Å; F124-Y234 HydrophobicContact CG-CE2 4.47Å; F124-Y234 AromaticContact CZ-CD2 3.37Å; F124-Y234 HydrophobicContact CZ-CD2 3.37Å; F124-Y234 AromaticContact CZ-CE2 3.48Å; F124-Y234 HydrophobicContact CZ-CE2 3.48Å; F124-Y234 VanDerWaalsContact CZ-CE2 3.48Å; F124-Y234 HydrophobicContact CZ-CG 4.19Å; F124-Y234 PolarHBondContact O-OH 2.87Å; F124-I237 HydrophobicContact CE1-CB 4.2Å; F124-I237 HydrophobicContact CE1-CG2 3.78Å; F124-I237 HydrophobicContact CE2-CG2 4.41Å; F124-I237 HydrophobicContact CZ-CB 4.13Å; F124-I237 HydrophobicContact CZ-CG2 3.66Å; F124-L238 HydrophobicContact CD1-CB 4.24Å; F124-L238 HydrophobicContact CD1-CD1 4.08Å; F124-L238 HydrophobicContact CE1-CB 4.07Å; F124-L241 HydrophobicContact CB-CD1 4.32Å; F124-L241 HydrophobicContact CD1-CD1 3.83Å; F124-L241 HydrophobicContact CE1-CD1 4.38Å; F124-L241 HydrophobicContact CG-CD1 4.1Å |
| 125 | G | 96.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 75.3 Ų | 75.3 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | T121 I122 | T121-G125 PolarHBondContact O-N 3.27Å; I122-G125 PolarHBondContact O-N 2.89Å |
| 126 | T | 96.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 70.5 Ų | 70.5 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -82.7 | -29.3 | -176.7 | 56.8 | 0 | 0 | 0 | 0 | 113 | I122 V123 F124 K128 | I122-T126 HydrophobicContact CG2-CG2 4.18Å; I122-T126 VanDerWaalsContact O-CB 3.28Å; I122-T126 WeakPolarHBondContact O-CB 3.29Å; I122-T126 WeakPolarHBondContact O-CG2 3.48Å; I122-T126 PolarHBondContact O-N 3.26Å; I122-T126 PolarHBondContact O-OG1 3.42Å; V123-T126 PolarHBondContact O-OG1 2.74Å; F124-T126 PolarHBondContact O-N 3.44Å; T126-K128 VanDerWaalsContact C-N 3.33Å; T126-K128 PolarHBondContact O-N 3.13Å |
| 127 | R | 95.3 | Very high | 96.1 | Very high | 144 Ų | 144 | 70.3 Ų | 70.3 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 31.7 | -177.2 | -61.4 | -159 | 179.1 | -154.7 | 1.9 | 113.9 | V123 H129 W130 F131 | V123-R127 HydrophobicContact CG1-CG 4.37Å; V123-R127 VanDerWaalsContact O-CB 3.25Å; V123-R127 WeakPolarHBondContact O-CB 3.33Å; V123-R127 WeakPolarHBondContact O-CG 3.34Å; V123-R127 PolarHBondContact O-N 3.29Å; R127-H129 PolarHBondContact O-N 2.87Å; R127-H129 VanDerWaalsContact O-N 3.16Å; R127-W130 HydrophobicContact CB-CB 4.14Å; R127-W130 WeakPolarHBondContact O-CB 3.33Å; R127-W130 PolarHBondContact O-N 2.96Å; R127-F131 HydrophobicContact CB-CE2 4.46Å; R127-F131 VanDerWaalsContact O-CD2 3.31Å; R127-F131 WeakPolarHBondContact O-CD2 3.37Å; R127-F131 PolarHBondContact O-N 3.43Å |
| 128 | K | 94.6 | Very high | 95.9 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -49.9 | -42.7 | 177.5 | -175.6 | -179.9 | 173.5 | -174.4 | 0 | 113 | T126 F131 R132 W227 Y234 | T126-K128 VanDerWaalsContact C-N 3.33Å; T126-K128 PolarHBondContact O-N 3.13Å; K128-F131 PolarHBondContact O-N 3.36Å; K128-R132 PolarHBondContact O-N 3.29Å; K128-W227 HydrophobicContact CD-CZ2 4.32Å; K128-W227 VanDerWaalsContact CE-CZ2 3.49Å; K128-W227 HydrophobicContact CG-CH2 4.06Å; K128-W227 HydrophobicContact CG-CZ2 3.82Å; K128-Y234 WeakPolarHBondContact CA-OH 3.26Å; K128-Y234 HydrophobicContact CB-CE1 4.31Å; K128-Y234 WeakPolarHBondContact CB-OH 3.09Å; K128-Y234 HydrophobicContact CD-CE1 4.22Å; K128-Y234 HydrophobicContact CG-CE1 3.96Å |
| 129 | H | 94.9 | Very high | 95.8 | Very high | 134 Ų | 134 | 69.1 Ų | 69.1 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 178.8 | -71.2 | -78.2 | 0 | 0 | 0 | 112.2 | R127 F131 R132 D133 | R127-H129 PolarHBondContact O-N 2.87Å; R127-H129 VanDerWaalsContact O-N 3.16Å; H129-F131 PolarHBondContact O-N 3.45Å; H129-R132 WeakPolarHBondContact O-CB 3.26Å; H129-R132 PolarHBondContact O-N 3.42Å; H129-D133 VanDerWaalsContact O-CG 3.28Å; H129-D133 PolarHBondContact O-N 3.4Å |
| 130 | W | 95.1 | Very high | 95.7 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.5 | -178.3 | 81.8 | 0 | 0 | 0 | 111.8 | R127 R132 D133 E134 | R127-W130 HydrophobicContact CB-CB 4.14Å; R127-W130 WeakPolarHBondContact O-CB 3.33Å; R127-W130 PolarHBondContact O-N 2.96Å; W130-R132 VanDerWaalsContact C-N 3.32Å; W130-R132 PolarHBondContact O-N 3.12Å; W130-D133 PolarHBondContact O-N 3.15Å; W130-E134 HydrophobicContact CH2-CG 4.49Å; W130-E134 WeakPolarHBondContact O-CB 3.44Å; W130-E134 PolarHBondContact O-N 3.06Å |
| 131 | F | 92.6 | Very high | 95.6 | Very high | 63 Ų | 63 | 70.7 Ų | 70.7 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 175.3 | -76.5 | -75.2 | 0 | 0 | 0 | 112.9 | F124 R127 K128 H129 L135 Y234 | F124-F131 HydrophobicContact CD2-CE1 4.32Å; F124-F131 AromaticContact CD2-CE2 3.77Å; F124-F131 HydrophobicContact CD2-CE2 3.77Å; F124-F131 AromaticContact CD2-CZ 3.65Å; F124-F131 HydrophobicContact CD2-CZ 3.65Å; F124-F131 HydrophobicContact CE2-CE1 4.27Å; F124-F131 HydrophobicContact CE2-CE2 4.27Å; F124-F131 HydrophobicContact CE2-CZ 4.05Å; F124-F131 HydrophobicContact CG-CE2 4.47Å; R127-F131 HydrophobicContact CB-CE2 4.46Å; R127-F131 VanDerWaalsContact O-CD2 3.31Å; R127-F131 WeakPolarHBondContact O-CD2 3.37Å; R127-F131 PolarHBondContact O-N 3.43Å; K128-F131 PolarHBondContact O-N 3.36Å; H129-F131 PolarHBondContact O-N 3.45Å; F131-L135 PolarHBondContact O-N 3.02Å; F131-L135 VanDerWaalsContact O-N 3.09Å; F131-Y234 HydrophobicContact CB-CE2 4.38Å; F131-Y234 AromaticContact CD2-CE2 4Å; F131-Y234 HydrophobicContact CD2-CE2 4Å; F131-Y234 HydrophobicContact CG-CE2 4.28Å |
| 132 | R | 95 | Very high | 95.4 | Very high | 65 Ų | 65 | 71.5 Ų | 71.5 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -55.2 | 173.7 | 173.7 | 175.2 | -179.2 | -148.2 | 7.7 | 109.8 | K128 H129 W130 E134 L135 G136 F223 E224 W227 | K128-R132 PolarHBondContact O-N 3.29Å; H129-R132 WeakPolarHBondContact O-CB 3.26Å; H129-R132 PolarHBondContact O-N 3.42Å; W130-R132 VanDerWaalsContact C-N 3.32Å; W130-R132 PolarHBondContact O-N 3.12Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-E134 PolarHBondContact O-N 3.04Å; R132-L135 WeakPolarHBondContact O-CB 3.39Å; R132-L135 PolarHBondContact O-N 3.43Å; R132-L135 VanDerWaalsContact O-N 3.15Å; R132-G136 PolarHBondContact O-N 3.26Å; R132-F223 HydrophobicContact CG-CE1 4.32Å; R132-F223 HydrophobicContact CG-CE2 4.12Å; R132-F223 HydrophobicContact CG-CZ 3.49Å; R132-F223 VanDerWaalsContact CG-CZ 3.49Å; R132-F223 WeakPolarHBondContact O-CE2 3.2Å; R132-E224 IonicContact CZ-OE1 2.66Å; R132-E224 IonicContact CZ-OE2 2.74Å; R132-E224 IonicContact NH2-OE1 2.75Å; R132-E224 PolarHBondContact NH2-OE1 3.32Å; R132-E224 IonicContact NH2-OE2 3.48Å; R132-E224 PolarHBondContact NH2-OE2 2.81Å; R132-W227 VanDerWaalsContact CA-CZ3 3.45Å; R132-W227 HydrophobicContact CB-CD2 3.75Å; R132-W227 HydrophobicContact CB-CE3 3.73Å; R132-W227 HydrophobicContact CB-CG 4.47Å; R132-W227 HydrophobicContact CB-CH2 3.73Å; R132-W227 HydrophobicContact CB-CZ2 3.75Å; R132-W227 HydrophobicContact CB-CZ3 3.73Å; R132-W227 HydrophobicContact CG-CB 4.43Å; R132-W227 HydrophobicContact CG-CD2 3.59Å; R132-W227 HydrophobicContact CG-CE3 3.94Å; R132-W227 HydrophobicContact CG-CG 3.78Å; R132-W227 HydrophobicContact CG-CZ2 4.32Å; R132-W227 HydrophobicContact CG-CZ3 4.45Å |
| 133 | D | 95.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 67.1 Ų | 67.1 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | -176 | -59.8 | -20.7 | 0 | 0 | 0 | 111.7 | H129 W130 L135 G136 I137 | H129-D133 VanDerWaalsContact O-CG 3.28Å; H129-D133 PolarHBondContact O-N 3.4Å; W130-D133 PolarHBondContact O-N 3.15Å; D133-L135 VanDerWaalsContact C-N 3.28Å; D133-L135 PolarHBondContact O-N 2.94Å; D133-G136 PolarHBondContact O-N 3.43Å; D133-G136 VanDerWaalsContact O-N 3.16Å; D133-I137 WeakPolarHBondContact O-CG1 3.22Å; D133-I137 PolarHBondContact O-N 2.92Å |
| 134 | E | 95.1 | Very high | 95 | Very high | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 176.6 | -170.4 | 60.8 | -143.7 | 0 | 0 | 112.1 | W130 R132 G136 I137 S138 R141 | W130-E134 HydrophobicContact CH2-CG 4.49Å; W130-E134 WeakPolarHBondContact O-CB 3.44Å; W130-E134 PolarHBondContact O-N 3.06Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-E134 PolarHBondContact O-N 3.04Å; E134-G136 VanDerWaalsContact C-N 3.34Å; E134-G136 PolarHBondContact O-N 2.66Å; E134-I137 PolarHBondContact O-N 3.35Å; E134-S138 WeakPolarHBondContact O-CB 3.33Å; E134-S138 PolarHBondContact O-N 3.49Å; E134-R141 IonicContact OE1-NH1 3.26Å; E134-R141 PolarHBondContact OE1-NH1 2.86Å |
| 135 | L | 95.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.5 | -178.3 | 67 | 0 | 0 | 0 | 111.4 | F131 R132 D133 Y139 L226 W227 A230 | F131-L135 PolarHBondContact O-N 3.02Å; F131-L135 VanDerWaalsContact O-N 3.09Å; R132-L135 WeakPolarHBondContact O-CB 3.39Å; R132-L135 PolarHBondContact O-N 3.43Å; R132-L135 VanDerWaalsContact O-N 3.15Å; D133-L135 VanDerWaalsContact C-N 3.28Å; D133-L135 PolarHBondContact O-N 2.94Å; L135-Y139 WeakPolarHBondContact O-CB 3.25Å; L135-Y139 PolarHBondContact O-N 3.04Å; L135-L226 HydrophobicContact CD2-CB 4.2Å; L135-W227 HydrophobicContact CD2-CE3 3.97Å; L135-A230 HydrophobicContact CD2-CB 3.73Å |
| 136 | G | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R132 D133 E134 Y139 R140 S175 F223 | R132-G136 PolarHBondContact O-N 3.26Å; D133-G136 PolarHBondContact O-N 3.43Å; D133-G136 VanDerWaalsContact O-N 3.16Å; E134-G136 VanDerWaalsContact C-N 3.34Å; E134-G136 PolarHBondContact O-N 2.66Å; G136-Y139 PolarHBondContact O-N 3.48Å; G136-R140 PolarHBondContact O-N 3.38Å; G136-S175 PolarHBondContact O-OG 3.22Å; G136-F223 VanDerWaalsContact CA-CD2 3.43Å |
| 137 | I | 95.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.297 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 176.9 | -65.9 | 168 | 0 | 0 | 0 | 110.9 | D133 E134 R140 R141 F176 | D133-I137 WeakPolarHBondContact O-CG1 3.22Å; D133-I137 PolarHBondContact O-N 2.92Å; E134-I137 PolarHBondContact O-N 3.35Å; I137-R140 PolarHBondContact O-N 3.05Å; I137-R141 WeakPolarHBondContact O-CB 3.44Å; I137-R141 PolarHBondContact O-N 3.43Å; I137-F176 HydrophobicContact CG1-CZ 4.46Å |
| 138 | S | 95.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 178 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | E134 R141 S142 | E134-S138 WeakPolarHBondContact O-CB 3.33Å; E134-S138 PolarHBondContact O-N 3.49Å; S138-R141 WeakPolarHBondContact O-CB 3.47Å; S138-R141 PolarHBondContact O-N 3.37Å; S138-S142 PolarHBondContact O-N 2.85Å; S138-S142 PolarHBondContact O-OG 2.95Å |
| 139 | Y | 95.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.3 | -176.6 | -116.8 | 0 | 0 | 0 | 111.8 | L135 G136 R141 S142 I143 F159 V163 C222 L226 | L135-Y139 WeakPolarHBondContact O-CB 3.25Å; L135-Y139 PolarHBondContact O-N 3.04Å; G136-Y139 PolarHBondContact O-N 3.48Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 3.13Å; Y139-S142 PolarHBondContact O-N 3.31Å; Y139-I143 HydrophobicContact CD1-CD1 3.87Å; Y139-I143 HydrophobicContact CE1-CD1 3.47Å; Y139-I143 VanDerWaalsContact CE1-CD1 3.47Å; Y139-I143 HydrophobicContact CE1-CG1 4.34Å; Y139-I143 WeakPolarHBondContact O-CG1 3.47Å; Y139-I143 PolarHBondContact O-N 3.32Å; Y139-F159 HydrophobicContact CE2-CZ 4.39Å; Y139-V163 HydrophobicContact CE2-CG2 4.08Å; Y139-C222 HydrophobicContact CE1-CB 4.28Å; Y139-L226 HydrophobicContact CD1-CD1 3.3Å; Y139-L226 HydrophobicContact CD2-CD1 3.94Å; Y139-L226 HydrophobicContact CE1-CD1 3.62Å; Y139-L226 HydrophobicContact CE2-CD1 4.22Å; Y139-L226 HydrophobicContact CG-CD1 3.47Å; Y139-L226 VanDerWaalsContact CG-CD1 3.47Å |
| 140 | R | 96.2 | Very high | 92.7 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 172.1 | -177.4 | 176.5 | 70.5 | 167.7 | 3.2 | 111.4 | G136 I137 S142 I143 T144 D180 | G136-R140 PolarHBondContact O-N 3.38Å; I137-R140 PolarHBondContact O-N 3.05Å; R140-S142 VanDerWaalsContact C-N 3.33Å; R140-S142 PolarHBondContact O-N 2.81Å; R140-I143 WeakPolarHBondContact O-CB 3.26Å; R140-I143 PolarHBondContact O-N 3.46Å; R140-I143 VanDerWaalsContact O-N 3.14Å; R140-T144 PolarHBondContact O-N 3.48Å; R140-T144 PolarHBondContact O-OG1 2.88Å; R140-D180 WeakPolarHBondContact CD-OD1 3.35Å; R140-D180 HydrophobicContact CG-CB 3.99Å |
| 141 | R | 95.6 | Very high | 92.2 | Very high | 132 Ų | 132 | 50.6 Ų | 50.6 | 50% | 0.498 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 178.9 | -169.5 | -177.3 | -64.8 | 121.3 | -1.8 | 111.6 | E134 I137 S138 Y139 T144 S145 | E134-R141 IonicContact OE1-NH1 3.26Å; E134-R141 PolarHBondContact OE1-NH1 2.86Å; I137-R141 WeakPolarHBondContact O-CB 3.44Å; I137-R141 PolarHBondContact O-N 3.43Å; S138-R141 WeakPolarHBondContact O-CB 3.47Å; S138-R141 PolarHBondContact O-N 3.37Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 3.13Å; R141-T144 PolarHBondContact O-N 3.41Å; R141-S145 PolarHBondContact O-N 3.2Å; R141-S145 PolarHBondContact O-OG 2.87Å |
| 142 | S | 94 | Very high | 91.7 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 173.9 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | S138 Y139 R140 T144 S145 D146 Y147 F159 | S138-S142 PolarHBondContact O-N 2.85Å; S138-S142 PolarHBondContact O-OG 2.95Å; Y139-S142 PolarHBondContact O-N 3.31Å; R140-S142 VanDerWaalsContact C-N 3.33Å; R140-S142 PolarHBondContact O-N 2.81Å; S142-T144 VanDerWaalsContact C-N 3.32Å; S142-T144 PolarHBondContact O-N 3.29Å; S142-S145 PolarHBondContact O-N 2.91Å; S142-D146 WeakPolarHBondContact O-CA 3.43Å; S142-D146 WeakPolarHBondContact O-CB 3.34Å; S142-D146 PolarHBondContact O-N 3.09Å; S142-Y147 PolarHBondContact O-N 3.04Å; S142-F159 VanDerWaalsContact O-CE1 3.32Å; S142-F159 WeakPolarHBondContact O-CE1 3.4Å |
| 143 | I | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 169.4 | -72.5 | 171.1 | 0 | 0 | 0 | 110.8 | Y139 R140 S145 Y147 F181 N184 | Y139-I143 HydrophobicContact CD1-CD1 3.87Å; Y139-I143 HydrophobicContact CE1-CD1 3.47Å; Y139-I143 VanDerWaalsContact CE1-CD1 3.47Å; Y139-I143 HydrophobicContact CE1-CG1 4.34Å; Y139-I143 WeakPolarHBondContact O-CG1 3.47Å; Y139-I143 PolarHBondContact O-N 3.32Å; R140-I143 WeakPolarHBondContact O-CB 3.26Å; R140-I143 PolarHBondContact O-N 3.46Å; R140-I143 VanDerWaalsContact O-N 3.14Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.33Å; I143-Y147 WeakPolarHBondContact O-CB 3.36Å; I143-F181 HydrophobicContact CD1-CZ 4.34Å; I143-F181 HydrophobicContact CG2-CD1 3.44Å; I143-F181 VanDerWaalsContact CG2-CD1 3.44Å; I143-F181 HydrophobicContact CG2-CE1 3.37Å; I143-F181 HydrophobicContact CG2-CG 4.17Å; I143-F181 HydrophobicContact CG2-CZ 4.03Å; I143-N184 PolarHBondContact O-ND2 3.35Å |
| 144 | T | 92.5 | Very high | 89.7 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | -179.2 | -52.9 | 0 | 0 | 0 | 0 | 113 | R140 R141 S142 D183 N184 | R140-T144 PolarHBondContact O-N 3.48Å; R140-T144 PolarHBondContact O-OG1 2.88Å; R141-T144 PolarHBondContact O-N 3.41Å; S142-T144 VanDerWaalsContact C-N 3.32Å; S142-T144 PolarHBondContact O-N 3.29Å; T144-D183 HydrophobicContact CG2-CB 3.67Å; T144-N184 PolarHBondContact O-ND2 3.45Å |
| 145 | S | 90.4 | Very high | 88.4 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -99.3 | -40.6 | -171.5 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | R141 S142 I143 | R141-S145 PolarHBondContact O-N 3.2Å; R141-S145 PolarHBondContact O-OG 2.87Å; S142-S145 PolarHBondContact O-N 2.91Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.33Å |
| 146 | D | 89.5 | Confident | 87.2 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -110.8 | -17.4 | -166.3 | -55.6 | -45 | 0 | 0 | 0 | 113.4 | S142 H148 F159 | S142-D146 WeakPolarHBondContact O-CA 3.43Å; S142-D146 WeakPolarHBondContact O-CB 3.34Å; S142-D146 PolarHBondContact O-N 3.09Å; D146-H148 PolarHBondContact O-CD2 3.37Å; D146-F159 HydrophobicContact CB-CD1 3.64Å; D146-F159 HydrophobicContact CB-CE1 4.02Å; D146-F159 HydrophobicContact CB-CG 4.15Å |
| 147 | Y | 90.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | trans | -75 | 129.9 | 177.8 | -172.9 | -96.6 | 0 | 0 | 0 | 110.3 | S142 I143 M149 T160 V163 N164 F181 N184 P195 | S142-Y147 PolarHBondContact O-N 3.04Å; I143-Y147 WeakPolarHBondContact O-CB 3.36Å; Y147-M149 HydrophobicContact CD1-CB 4.13Å; Y147-M149 HydrophobicContact CD1-SD 4.35Å; Y147-M149 HydrophobicContact CE1-CB 3.86Å; Y147-M149 HydrophobicContact CE1-CG 4.15Å; Y147-M149 HydrophobicContact CE1-SD 3.71Å; Y147-T160 HydrophobicContact CD2-CG2 4.08Å; Y147-T160 HydrophobicContact CE2-CG2 3.65Å; Y147-V163 HydrophobicContact CD2-CB 3.76Å; Y147-V163 HydrophobicContact CD2-CG1 3.7Å; Y147-V163 HydrophobicContact CD2-CG2 4.08Å; Y147-V163 HydrophobicContact CE2-CB 3.77Å; Y147-V163 HydrophobicContact CE2-CG1 3.56Å; Y147-N164 PolarHBondContact OH-OD1 3.43Å; Y147-F181 AromaticContact CD1-CD1 3.95Å; Y147-F181 HydrophobicContact CD1-CD1 3.95Å; Y147-F181 AromaticContact CD1-CE1 3.67Å; Y147-F181 HydrophobicContact CD1-CE1 3.67Å; Y147-F181 HydrophobicContact CD2-CE1 4.42Å; Y147-F181 HydrophobicContact CE1-CD1 4.12Å; Y147-F181 AromaticContact CE1-CE1 3.72Å; Y147-F181 HydrophobicContact CE1-CE1 3.72Å; Y147-F181 HydrophobicContact CE2-CE1 4.47Å; Y147-F181 HydrophobicContact CG-CE1 4.04Å; Y147-N184 PolarHBondContact O-ND2 2.9Å; Y147-P195 HydrophobicContact CE1-CG 4.17Å; Y147-P195 WeakPolarHBondContact OH-CB 3.47Å | ||
| 148 | H | 88 | Confident | 85.9 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | trans | -107.9 | 114 | 174.7 | -69.1 | -77.1 | 0 | 0 | 0 | 109.9 | D146 D150 P155 T160 S186 | D146-H148 PolarHBondContact O-CD2 3.37Å; H148-D150 PolarHBondContact O-N 3.19Å; H148-P155 HydrophobicContact CB-CB 4.18Å; H148-P155 HydrophobicContact CB-CG 3.32Å; H148-P155 VanDerWaalsContact O-CG 3.28Å; H148-P155 WeakPolarHBondContact O-CG 3.23Å; H148-T160 PolarHBondContact N-OG1 3.06Å; H148-T160 VanDerWaalsContact O-CG2 3.29Å; H148-T160 WeakPolarHBondContact O-CG2 3.21Å; H148-S186 PolarHBondContact ND1-OG 3.16Å | ||
| 149 | M | 83.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | trans | -91.5 | 106.7 | -173 | -168.8 | 121.3 | 170.7 | 0 | 0 | 111.4 | Y147 F181 F187 Q190 Y192 I194 P195 | Y147-M149 HydrophobicContact CD1-CB 4.13Å; Y147-M149 HydrophobicContact CD1-SD 4.35Å; Y147-M149 HydrophobicContact CE1-CB 3.86Å; Y147-M149 HydrophobicContact CE1-CG 4.15Å; Y147-M149 HydrophobicContact CE1-SD 3.71Å; M149-F181 HydrophobicContact SD-CD1 4.04Å; M149-F181 HydrophobicContact SD-CG 4.39Å; M149-F187 HydrophobicContact CB-CB 4.4Å; M149-F187 HydrophobicContact CE-CD2 3.29Å; M149-F187 HydrophobicContact CE-CE2 3.47Å; M149-F187 VanDerWaalsContact CE-CE2 3.47Å; M149-F187 HydrophobicContact CG-CB 4.49Å; M149-F187 HydrophobicContact CG-CD2 4.1Å; M149-F187 HydrophobicContact SD-CB 4.25Å; M149-F187 HydrophobicContact SD-CD2 3.44Å; M149-F187 WeakPolarHBondContact SD-CD2 3.2Å; M149-F187 HydrophobicContact SD-CE2 4.19Å; M149-F187 HydrophobicContact SD-CG 4.28Å; M149-Q190 HydrophobicContact CG-CG 4.36Å; M149-Q190 PolarHBondContact O-NE2 3.03Å; M149-Y192 HydrophobicContact CE-CD2 3.6Å; M149-Y192 HydrophobicContact CE-CE2 3.36Å; M149-Y192 HydrophobicContact CG-CE2 3.66Å; M149-Y192 PolarHBondContact O-OH 2.96Å; M149-Y192 HydrophobicContact SD-CE2 4.4Å; M149-I194 WeakPolarHBondContact CE-O 3.15Å; M149-P195 HydrophobicContact CE-CB 4.19Å; M149-P195 HydrophobicContact CE-CG 3.7Å; M149-P195 HydrophobicContact SD-CB 4.44Å; M149-P195 HydrophobicContact SD-CG 3.71Å | ||
| 150 | D | 84.2 | Confident | 85.4 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | trans | -144.8 | 118.4 | 165.8 | -163.1 | -35.1 | 0 | 0 | 0 | 109.3 | H148 N152 F153 P154 Y192 | H148-D150 PolarHBondContact O-N 3.19Å; D150-N152 WeakPolarHBondContact OD1-CA 3.34Å; D150-N152 PolarHBondContact OD1-N 3.47Å; D150-F153 VanDerWaalsContact CB-O 3.31Å; D150-F153 WeakPolarHBondContact CB-O 3.25Å; D150-F153 PolarHBondContact OD1-N 3.46Å; D150-P154 WeakPolarHBondContact O-CA 3.5Å; D150-P154 WeakPolarHBondContact O-CB 3.32Å; D150-Y192 WeakPolarHBondContact CA-OH 3.44Å | ||
| 151 | N | 84.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -85.1 | -24.5 | 177.8 | -73.2 | -7.2 | 0 | 0 | 0 | 112.5 | Y192 I194 P195 A196 W208 | N151-Y192 HydrophobicContact CB-CE1 4.02Å; N151-Y192 HydrophobicContact CB-CE2 4.26Å; N151-Y192 PolarHBondContact N-OH 3.46Å; N151-Y192 VanDerWaalsContact ND2-CD2 3.32Å; N151-Y192 WeakPolarHBondContact ND2-CD2 3.37Å; N151-Y192 WeakPolarHBondContact ND2-CE2 3.29Å; N151-I194 PolarHBondContact ND2-O 2.94Å; N151-P195 WeakPolarHBondContact OD1-CA 3.33Å; N151-A196 HydrophobicContact CB-CB 4.11Å; N151-A196 VanDerWaalsContact CG-N 3.33Å; N151-A196 PolarHBondContact ND2-N 3.46Å; N151-A196 PolarHBondContact OD1-N 3.34Å; N151-W208 HydrophobicContact CB-CD2 3.99Å; N151-W208 HydrophobicContact CB-CE3 3.8Å; N151-W208 HydrophobicContact CB-CH2 4.01Å; N151-W208 HydrophobicContact CB-CZ2 4.21Å; N151-W208 HydrophobicContact CB-CZ3 3.8Å; N151-W208 VanDerWaalsContact ND2-CG 3.32Å |
| 152 | N | 81.9 | Confident | 85.1 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -89 | -37.4 | -179 | -63.8 | -55.7 | 0 | 0 | 0 | 111.3 | D150 | D150-N152 WeakPolarHBondContact OD1-CA 3.34Å; D150-N152 PolarHBondContact OD1-N 3.47Å |
| 153 | F | 77.8 | Confident | 85.1 | Confident | 163 Ų | 163 | 57.3 Ų | 57.3 | 72% | 0.715 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -130.5 | 65.7 | -179.9 | -57.2 | -78.8 | 0 | 0 | 0 | 110.3 | D150 P155 | D150-F153 VanDerWaalsContact CB-O 3.31Å; D150-F153 WeakPolarHBondContact CB-O 3.25Å; D150-F153 PolarHBondContact OD1-N 3.46Å; F153-P155 WeakPolarHBondContact O-CD 3.4Å; F153-P155 VanDerWaalsContact O-N 3.09Å |
| 154 | P | 69.2 | Low | 85.1 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -56.8 | 119.4 | -174.5 | 22.5 | -32.6 | 0 | 0 | 0 | 110.5 | D150 N156 | D150-P154 WeakPolarHBondContact O-CA 3.5Å; D150-P154 WeakPolarHBondContact O-CB 3.32Å; P154-N156 PolarHBondContact O-N 2.63Å | ||
| 155 | P | 69.4 | Low | 85.2 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | trans | -65.8 | 138 | -179 | 22.5 | -28.9 | 0 | 0 | 0 | 109.4 | H148 F153 T157 T160 | H148-P155 HydrophobicContact CB-CB 4.18Å; H148-P155 HydrophobicContact CB-CG 3.32Å; H148-P155 VanDerWaalsContact O-CG 3.28Å; H148-P155 WeakPolarHBondContact O-CG 3.23Å; F153-P155 WeakPolarHBondContact O-CD 3.4Å; F153-P155 VanDerWaalsContact O-N 3.09Å; P155-T157 HydrophobicContact CB-CG2 4.5Å; P155-T157 PolarHBondContact O-N 2.79Å; P155-T160 HydrophobicContact CG-CG2 4.22Å | ||
| 156 | N | 69.7 | Low | 85.5 | Confident | 149 Ų | 149 | 59.8 Ų | 59.8 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | trans | -80.3 | 25.7 | -179.7 | 63.2 | -14.1 | 0 | 0 | 0 | 112.9 | P154 G158 | P154-N156 PolarHBondContact O-N 2.63Å; N156-G158 PolarHBondContact O-N 3.35Å | ||
| 157 | T | 80.1 | Confident | 85.9 | Confident | 50 Ų | 50 | 56 Ų | 56 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | trans | -67.4 | 133.4 | 175.2 | 56.2 | 0 | 0 | 0 | 0 | 109.2 | P155 F159 T160 V161 | P155-T157 HydrophobicContact CB-CG2 4.5Å; P155-T157 PolarHBondContact O-N 2.79Å; T157-F159 PolarHBondContact O-N 3.47Å; T157-F159 VanDerWaalsContact O-N 3.09Å; T157-T160 PolarHBondContact O-N 2.78Å; T157-T160 WeakPolarHBondContact OG1-CB 3.25Å; T157-T160 PolarHBondContact OG1-OG1 3.18Å; T157-V161 PolarHBondContact O-N 3.45Å | ||
| 158 | G | 82.8 | Confident | 86.1 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.7 | -36.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N156 F162 | N156-G158 PolarHBondContact O-N 3.35Å; G158-F162 VanDerWaalsContact O-CB 3.28Å; G158-F162 WeakPolarHBondContact O-CB 3.21Å; G158-F162 PolarHBondContact O-N 3.04Å |
| 159 | F | 88.5 | Confident | 86.5 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 23% | 0.232 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.7 | -44.4 | 176.1 | -173.6 | -103.5 | 0 | 0 | 0 | 112.9 | Y139 S142 D146 T157 V161 F162 V163 | Y139-F159 HydrophobicContact CE2-CZ 4.39Å; S142-F159 VanDerWaalsContact O-CE1 3.32Å; S142-F159 WeakPolarHBondContact O-CE1 3.4Å; D146-F159 HydrophobicContact CB-CD1 3.64Å; D146-F159 HydrophobicContact CB-CE1 4.02Å; D146-F159 HydrophobicContact CB-CG 4.15Å; T157-F159 PolarHBondContact O-N 3.47Å; T157-F159 VanDerWaalsContact O-N 3.09Å; F159-V161 VanDerWaalsContact C-N 3.35Å; F159-V161 PolarHBondContact O-N 3.3Å; F159-F162 WeakPolarHBondContact O-CB 3.31Å; F159-F162 PolarHBondContact O-N 3.01Å; F159-V163 HydrophobicContact CD1-CG2 4.06Å; F159-V163 HydrophobicContact CD2-CG2 4.48Å; F159-V163 HydrophobicContact CE1-CG2 3.59Å; F159-V163 HydrophobicContact CE2-CG2 4.05Å; F159-V163 HydrophobicContact CG-CG2 4.48Å; F159-V163 HydrophobicContact CZ-CG2 3.56Å; F159-V163 WeakPolarHBondContact O-CG2 3.49Å; F159-V163 PolarHBondContact O-N 3.39Å |
| 160 | T | 91.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | Y147 H148 P155 T157 V163 N164 | Y147-T160 HydrophobicContact CD2-CG2 4.08Å; Y147-T160 HydrophobicContact CE2-CG2 3.65Å; H148-T160 PolarHBondContact N-OG1 3.06Å; H148-T160 VanDerWaalsContact O-CG2 3.29Å; H148-T160 WeakPolarHBondContact O-CG2 3.21Å; P155-T160 HydrophobicContact CG-CG2 4.22Å; T157-T160 PolarHBondContact O-N 2.78Å; T157-T160 WeakPolarHBondContact OG1-CB 3.25Å; T157-T160 PolarHBondContact OG1-OG1 3.18Å; T160-V163 PolarHBondContact O-N 3.33Å; T160-N164 WeakPolarHBondContact O-CB 3.28Å; T160-N164 PolarHBondContact O-N 2.96Å; T160-N164 PolarHBondContact O-ND2 3.39Å |
| 161 | V | 91.6 | Very high | 87.7 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.8 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | T157 F159 V163 N164 E165 | T157-V161 PolarHBondContact O-N 3.45Å; F159-V161 VanDerWaalsContact C-N 3.35Å; F159-V161 PolarHBondContact O-N 3.3Å; V161-V163 PolarHBondContact O-N 2.76Å; V161-N164 PolarHBondContact O-N 2.99Å; V161-E165 HydrophobicContact CG1-CG 4.34Å; V161-E165 WeakPolarHBondContact O-CB 3.19Å; V161-E165 WeakPolarHBondContact O-CG 3.21Å; V161-E165 PolarHBondContact O-N 3.4Å |
| 162 | F | 93.1 | Very high | 88.3 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 48% | 0.482 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 178 | 174.1 | -103.5 | 0 | 0 | 0 | 112.9 | G158 F159 E165 I166 | G158-F162 VanDerWaalsContact O-CB 3.28Å; G158-F162 WeakPolarHBondContact O-CB 3.21Å; G158-F162 PolarHBondContact O-N 3.04Å; F159-F162 WeakPolarHBondContact O-CB 3.31Å; F159-F162 PolarHBondContact O-N 3.01Å; F162-E165 PolarHBondContact O-N 3.23Å; F162-I166 HydrophobicContact CD1-CD1 4.05Å; F162-I166 HydrophobicContact CD2-CD1 4.22Å; F162-I166 HydrophobicContact CE1-CD1 3.44Å; F162-I166 VanDerWaalsContact CE1-CD1 3.44Å; F162-I166 HydrophobicContact CE2-CD1 3.64Å; F162-I166 HydrophobicContact CE2-CG1 4.36Å; F162-I166 HydrophobicContact CG-CD1 4.42Å; F162-I166 HydrophobicContact CZ-CD1 3.23Å; F162-I166 HydrophobicContact CZ-CG1 4.37Å; F162-I166 WeakPolarHBondContact O-CG1 3.37Å; F162-I166 PolarHBondContact O-N 3.3Å |
| 163 | V | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | Y139 Y147 F159 T160 V161 E165 I166 Q167 | Y139-V163 HydrophobicContact CE2-CG2 4.08Å; Y147-V163 HydrophobicContact CD2-CB 3.76Å; Y147-V163 HydrophobicContact CD2-CG1 3.7Å; Y147-V163 HydrophobicContact CD2-CG2 4.08Å; Y147-V163 HydrophobicContact CE2-CB 3.77Å; Y147-V163 HydrophobicContact CE2-CG1 3.56Å; F159-V163 HydrophobicContact CD1-CG2 4.06Å; F159-V163 HydrophobicContact CD2-CG2 4.48Å; F159-V163 HydrophobicContact CE1-CG2 3.59Å; F159-V163 HydrophobicContact CE2-CG2 4.05Å; F159-V163 HydrophobicContact CG-CG2 4.48Å; F159-V163 HydrophobicContact CZ-CG2 3.56Å; F159-V163 WeakPolarHBondContact O-CG2 3.49Å; F159-V163 PolarHBondContact O-N 3.39Å; T160-V163 PolarHBondContact O-N 3.33Å; V161-V163 PolarHBondContact O-N 2.76Å; V163-E165 PolarHBondContact O-N 3.28Å; V163-I166 PolarHBondContact O-N 2.89Å; V163-Q167 HydrophobicContact CG1-CG 4.41Å; V163-Q167 VanDerWaalsContact O-CG 3.28Å; V163-Q167 WeakPolarHBondContact O-CG 3.14Å; V163-Q167 PolarHBondContact O-N 2.96Å |
| 164 | N | 94.7 | Very high | 89.9 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 17% | 0.166 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 179.9 | -74 | -17 | 0 | 0 | 0 | 112.6 | Y147 T160 V161 Q167 Q168 S197 | Y147-N164 PolarHBondContact OH-OD1 3.43Å; T160-N164 WeakPolarHBondContact O-CB 3.28Å; T160-N164 PolarHBondContact O-N 2.96Å; T160-N164 PolarHBondContact O-ND2 3.39Å; V161-N164 PolarHBondContact O-N 2.99Å; N164-Q167 PolarHBondContact O-N 3.37Å; N164-Q168 PolarHBondContact O-N 3.43Å; N164-Q168 VanDerWaalsContact O-N 3.12Å; N164-S197 WeakPolarHBondContact O-CB 3.37Å; N164-S197 WeakPolarHBondContact OD1-CB 3.35Å; N164-S197 PolarHBondContact OD1-OG 2.95Å |
| 165 | E | 94.6 | Very high | 91.2 | Very high | 122 Ų | 122 | 52.8 Ų | 52.8 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 177 | -77.2 | -64.8 | 150.8 | 0 | 0 | 112.1 | V161 F162 V163 Q167 K169 | V161-E165 HydrophobicContact CG1-CG 4.34Å; V161-E165 WeakPolarHBondContact O-CB 3.19Å; V161-E165 WeakPolarHBondContact O-CG 3.21Å; V161-E165 PolarHBondContact O-N 3.4Å; F162-E165 PolarHBondContact O-N 3.23Å; V163-E165 PolarHBondContact O-N 3.28Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.65Å; E165-K169 WeakPolarHBondContact O-CB 3.38Å; E165-K169 PolarHBondContact O-N 3.41Å |
| 166 | I | 96.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.4 | -74.4 | 178.9 | 0 | 0 | 0 | 110.9 | F162 V163 Q168 K169 H170 C222 F225 L226 | F162-I166 HydrophobicContact CD1-CD1 4.05Å; F162-I166 HydrophobicContact CD2-CD1 4.22Å; F162-I166 HydrophobicContact CE1-CD1 3.44Å; F162-I166 VanDerWaalsContact CE1-CD1 3.44Å; F162-I166 HydrophobicContact CE2-CD1 3.64Å; F162-I166 HydrophobicContact CE2-CG1 4.36Å; F162-I166 HydrophobicContact CG-CD1 4.42Å; F162-I166 HydrophobicContact CZ-CD1 3.23Å; F162-I166 HydrophobicContact CZ-CG1 4.37Å; F162-I166 WeakPolarHBondContact O-CG1 3.37Å; F162-I166 PolarHBondContact O-N 3.3Å; V163-I166 PolarHBondContact O-N 2.89Å; I166-Q168 PolarHBondContact O-N 3.49Å; I166-K169 PolarHBondContact O-N 2.84Å; I166-H170 WeakPolarHBondContact O-CB 3.28Å; I166-H170 PolarHBondContact O-N 3.48Å; I166-C222 HydrophobicContact CG2-CB 4.2Å; I166-F225 HydrophobicContact CG1-CE1 4.45Å; I166-F225 HydrophobicContact CG2-CD1 4.01Å; I166-F225 HydrophobicContact CG2-CE1 4.03Å; I166-L226 HydrophobicContact CD1-CD2 4.13Å |
| 167 | Q | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | -176.9 | -71.6 | -176.1 | 148.4 | 0 | 0 | 112.1 | V163 N164 E165 K171 C172 F181 S197 C198 | V163-Q167 HydrophobicContact CG1-CG 4.41Å; V163-Q167 VanDerWaalsContact O-CG 3.28Å; V163-Q167 WeakPolarHBondContact O-CG 3.14Å; V163-Q167 PolarHBondContact O-N 2.96Å; N164-Q167 PolarHBondContact O-N 3.37Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.65Å; Q167-K171 WeakPolarHBondContact O-CA 3.39Å; Q167-K171 PolarHBondContact O-N 3.14Å; Q167-C172 WeakPolarHBondContact CA-O 3.41Å; Q167-C172 WeakPolarHBondContact CB-O 3.45Å; Q167-C172 WeakPolarHBondContact CG-O 3.34Å; Q167-C172 PolarHBondContact O-N 3.36Å; Q167-C172 VanDerWaalsContact O-N 3.13Å; Q167-F181 VanDerWaalsContact OE1-CZ 3.27Å; Q167-S197 WeakPolarHBondContact CB-O 3.47Å; Q167-S197 PolarHBondContact NE2-OG 3.26Å; Q167-C198 VanDerWaalsContact CD-SG 3.52Å; Q167-C198 PolarHBondContact NE2-SG 2.88Å; Q167-C198 VanDerWaalsContact NE2-SG 3.42Å; Q167-C198 PolarHBondContact OE1-SG 2.94Å; Q167-C198 VanDerWaalsContact OE1-SG 3.42Å |
| 168 | Q | 95.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.1 | -49.5 | 176.6 | -77.4 | -67.3 | -59.2 | 0 | 0 | 112.4 | N164 I166 H170 S197 C199 I202 | N164-Q168 PolarHBondContact O-N 3.43Å; N164-Q168 VanDerWaalsContact O-N 3.12Å; I166-Q168 PolarHBondContact O-N 3.49Å; Q168-H170 VanDerWaalsContact C-N 3.35Å; Q168-H170 PolarHBondContact O-N 2.98Å; Q168-S197 PolarHBondContact NE2-O 3.3Å; Q168-C199 PolarHBondContact NE2-O 2.66Å; Q168-I202 VanDerWaalsContact CD-CG1 3.48Å; Q168-I202 HydrophobicContact CG-CD1 3.88Å; Q168-I202 HydrophobicContact CG-CG1 4.2Å |
| 169 | K | 96.2 | Very high | 95 | Very high | 158 Ų | 158 | 52.4 Ų | 52.4 | 69% | 0.687 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66 | -38.1 | -175.4 | -174 | 174.9 | -179.7 | 174.5 | 0 | 112.5 | E165 I166 | E165-K169 WeakPolarHBondContact O-CB 3.38Å; E165-K169 PolarHBondContact O-N 3.41Å; I166-K169 PolarHBondContact O-N 2.84Å |
| 170 | H | 96.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 33% | 0.333 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -105.4 | 7.6 | -175.6 | -65.6 | -69.8 | 0 | 0 | 0 | 114.1 | I166 Q168 C172 F225 | I166-H170 WeakPolarHBondContact O-CB 3.28Å; I166-H170 PolarHBondContact O-N 3.48Å; Q168-H170 VanDerWaalsContact C-N 3.35Å; Q168-H170 PolarHBondContact O-N 2.98Å; H170-C172 VanDerWaalsContact C-N 3.3Å; H170-C172 PolarHBondContact O-N 3.2Å; H170-F225 HydrophobicContact CB-CD1 4.18Å; H170-F225 HydrophobicContact CB-CD2 4.42Å; H170-F225 HydrophobicContact CB-CG 4.07Å; H170-F225 AromaticContact CD2-CD1 3.76Å; H170-F225 AromaticContact CD2-CE1 3.34Å; H170-F225 WeakPolarHBondContact CD2-CE1 3.11Å; H170-F225 AromaticContact CD2-CE2 3.65Å; H170-F225 AromaticContact CD2-CZ 3.29Å; H170-F225 WeakPolarHBondContact CD2-CZ 3.32Å; H170-F225 AromaticContact CE1-CD2 3.66Å; H170-F225 AromaticContact CE1-CE2 3.11Å; H170-F225 WeakPolarHBondContact CE1-CE2 3.36Å; H170-F225 AromaticContact CE1-CZ 3.47Å; H170-F225 VanDerWaalsContact CE1-CZ 3.47Å; H170-F225 WeakPolarHBondContact CE1-CZ 3.38Å; H170-F225 AromaticContact CG-CD1 3.81Å; H170-F225 AromaticContact CG-CD2 3.68Å; H170-F225 AromaticContact CG-CE1 3.85Å; H170-F225 AromaticContact CG-CE2 3.75Å; H170-F225 AromaticContact CG-CG 3.72Å; H170-F225 AromaticContact CG-CZ 3.83Å; H170-F225 AromaticContact ND1-CD2 3.44Å; H170-F225 WeakPolarHBondContact ND1-CD2 3.24Å; H170-F225 AromaticContact ND1-CE2 3.43Å; H170-F225 WeakPolarHBondContact ND1-CE2 3.2Å; H170-F225 AromaticContact ND1-CG 3.96Å; H170-F225 AromaticContact ND1-CZ 3.92Å; H170-F225 AromaticContact NE2-CE1 3.66Å; H170-F225 AromaticContact NE2-CE2 3.28Å; H170-F225 VanDerWaalsContact NE2-CE2 3.28Å; H170-F225 WeakPolarHBondContact NE2-CE2 3.4Å; H170-F225 AromaticContact NE2-CZ 3.05Å; H170-F225 WeakPolarHBondContact NE2-CZ 3.48Å |
| 171 | K | 97.1 | Very high | 95.3 | Very high | 129 Ų | 129 | 50.4 Ų | 50.4 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 47.7 | 172.6 | -58.2 | -177.2 | -179.5 | 176.4 | 0 | 112.1 | Q167 Y217 | Q167-K171 WeakPolarHBondContact O-CA 3.39Å; Q167-K171 PolarHBondContact O-N 3.14Å; K171-Y217 HydrophobicContact CB-CD1 3.73Å; K171-Y217 HydrophobicContact CB-CD2 4.36Å; K171-Y217 HydrophobicContact CB-CE1 3.51Å; K171-Y217 HydrophobicContact CB-CE2 4.17Å; K171-Y217 HydrophobicContact CB-CG 4.15Å; K171-Y217 HydrophobicContact CD-CE1 4.15Å; K171-Y217 HydrophobicContact CG-CE1 3.83Å; K171-Y217 HydrophobicContact CG-CE2 4.29Å; K171-Y217 WeakPolarHBondContact O-CB 3.23Å |
| 172 | C | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | trans | -134.3 | 166.3 | -176.5 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | Q167 H170 T220 C222 | Q167-C172 WeakPolarHBondContact CA-O 3.41Å; Q167-C172 WeakPolarHBondContact CB-O 3.45Å; Q167-C172 WeakPolarHBondContact CG-O 3.34Å; Q167-C172 PolarHBondContact O-N 3.36Å; Q167-C172 VanDerWaalsContact O-N 3.13Å; H170-C172 VanDerWaalsContact C-N 3.3Å; H170-C172 PolarHBondContact O-N 3.2Å; C172-T220 CarbonylContact C-O 3.59Å; C172-T220 WeakPolarHBondContact CA-O 3.24Å; C172-T220 HydrophobicContact CB-CG2 4.24Å; C172-T220 VanDerWaalsContact CB-O 3.24Å; C172-T220 WeakPolarHBondContact CB-O 3.26Å; C172-C222 HydrophobicContact CB-CB 3.92Å; C172-C222 WeakPolarHBondContact CB-SG 3.41Å; C172-C222 WeakPolarHBondContact SG-CA 3.44Å; C172-C222 WeakPolarHBondContact SG-CB 3.4Å; C172-C222 CovalentContact SG-SG 2.04Å; C172-C222 PolarHBondContact SG-SG 2.95Å | ||
| 173 | C | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -142.9 | 128.5 | 179.6 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | D177 C198 Y217 T220 | C173-D177 CarbonylContact O-C 3.27Å; C173-D177 VanDerWaalsContact O-C 3.26Å; C173-D177 WeakPolarHBondContact O-CA 3.32Å; C173-C198 WeakPolarHBondContact CA-SG 3.48Å; C173-C198 HydrophobicContact CB-CB 3.68Å; C173-C198 WeakPolarHBondContact CB-SG 3.17Å; C173-C198 WeakPolarHBondContact SG-CB 3.36Å; C173-C198 CovalentContact SG-SG 2.03Å; C173-C198 PolarHBondContact SG-SG 3.02Å; C173-Y217 WeakPolarHBondContact CB-O 3.45Å; C173-T220 PolarHBondContact N-O 3.02Å | ||
| 174 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 68.2 | -167.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | C222 | G174-C222 WeakPolarHBondContact O-CB 3.43Å; G174-C222 PolarHBondContact O-N 3.45Å; G174-C222 VanDerWaalsContact O-N 3.07Å; G174-C222 PolarHBondContact O-SG 3.49Å; G174-C222 VanDerWaalsContact O-SG 3.33Å |
| 175 | S | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -78.6 | -62 | 172.7 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | G136 D180 G221 C222 F223 | G136-S175 PolarHBondContact O-OG 3.22Å; S175-D180 VanDerWaalsContact CA-OD2 3.24Å; S175-D180 WeakPolarHBondContact CA-OD2 3.37Å; S175-D180 WeakPolarHBondContact CB-OD2 3.34Å; S175-D180 PolarHBondContact N-OD2 3Å; S175-G221 CarbonylContact O-C 3.43Å; S175-G221 VanDerWaalsContact O-C 3.27Å; S175-G221 WeakPolarHBondContact O-CA 3.26Å; S175-C222 PolarHBondContact O-N 2.71Å; S175-F223 WeakPolarHBondContact O-CB 3.34Å; S175-F223 PolarHBondContact O-N 3.38Å |
| 176 | F | 96.7 | Very high | 94 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -100.3 | -39.6 | 179.3 | -58.8 | -73.7 | 0 | 0 | 0 | 111.4 | I137 D180 G221 F223 | I137-F176 HydrophobicContact CG1-CZ 4.46Å; F176-D180 PolarHBondContact N-OD2 3.04Å; F176-G221 VanDerWaalsContact C-CA 3.47Å; F176-G221 WeakPolarHBondContact O-CA 3.25Å; F176-G221 PolarHBondContact O-N 2.88Å; F176-G221 VanDerWaalsContact O-N 3.16Å; F176-F223 HydrophobicContact CD1-CB 4.33Å; F176-F223 HydrophobicContact CD1-CG 4.42Å; F176-F223 HydrophobicContact CE1-CB 4.41Å; F176-F223 HydrophobicContact CE1-CD1 4.35Å; F176-F223 HydrophobicContact CE1-CD2 4.26Å; F176-F223 HydrophobicContact CE1-CG 4.09Å |
| 177 | D | 95.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -165.5 | -179.4 | 171.5 | 65 | 56.2 | 0 | 0 | 0 | 111.2 | C173 R179 D180 | C173-D177 CarbonylContact O-C 3.27Å; C173-D177 VanDerWaalsContact O-C 3.26Å; C173-D177 WeakPolarHBondContact O-CA 3.32Å; D177-R179 PolarHBondContact O-N 3.5Å; D177-R179 VanDerWaalsContact O-N 3.07Å; D177-R179 WeakPolarHBondContact OD1-CA 3.3Å; D177-R179 WeakPolarHBondContact OD1-CB 3.22Å; D177-R179 VanDerWaalsContact OD1-CG 3.26Å; D177-R179 WeakPolarHBondContact OD1-CG 3.31Å; D177-R179 IonicContact OD1-CZ 3.97Å; D177-R179 PolarHBondContact OD1-N 3.06Å; D177-R179 IonicContact OD1-NE 3.96Å; D177-R179 PolarHBondContact OD1-NE 3.47Å; D177-R179 IonicContact OD2-CZ 3.28Å; D177-R179 VanDerWaalsContact OD2-CZ 3.28Å; D177-R179 IonicContact OD2-NE 3.76Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 VanDerWaalsContact OD2-NE 3.07Å; D177-R179 IonicContact OD2-NH2 2.71Å; D177-R179 PolarHBondContact OD2-NH2 2.97Å; D177-D180 PolarHBondContact N-OD2 3.48Å; D177-D180 WeakPolarHBondContact O-CB 3.34Å; D177-D180 PolarHBondContact O-N 3.45Å |
| 178 | Y | 94.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.4 | -18.8 | -178.3 | 83.1 | -79.2 | 0 | 0 | 0 | 115.6 | D180 F181 I194 K218 | Y178-D180 PolarHBondContact O-N 3.03Å; Y178-F181 WeakPolarHBondContact O-CD2 3.44Å; Y178-F181 PolarHBondContact O-N 2.77Å; Y178-I194 HydrophobicContact CD2-CG2 3.56Å; Y178-I194 HydrophobicContact CG-CG2 3.9Å; Y178-K218 HydrophobicContact CD1-CB 3.73Å; Y178-K218 HydrophobicContact CD1-CD 4.49Å; Y178-K218 HydrophobicContact CD1-CG 4.33Å; Y178-K218 WeakPolarHBondContact CD1-O 3.24Å; Y178-K218 HydrophobicContact CE1-CB 4.46Å; Y178-K218 HydrophobicContact CE1-CD 4.42Å; Y178-K218 HydrophobicContact CG-CB 3.92Å; Y178-K218 PolarHBondContact N-O 3.03Å |
| 179 | R | 94.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 63.5 Ų | 63.5 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -72.8 | -14.8 | -179.1 | -59.7 | 173 | -87.6 | -157.5 | -8.9 | 112.2 | D177 F181 Q182 | D177-R179 PolarHBondContact O-N 3.5Å; D177-R179 VanDerWaalsContact O-N 3.07Å; D177-R179 WeakPolarHBondContact OD1-CA 3.3Å; D177-R179 WeakPolarHBondContact OD1-CB 3.22Å; D177-R179 VanDerWaalsContact OD1-CG 3.26Å; D177-R179 WeakPolarHBondContact OD1-CG 3.31Å; D177-R179 IonicContact OD1-CZ 3.97Å; D177-R179 PolarHBondContact OD1-N 3.06Å; D177-R179 IonicContact OD1-NE 3.96Å; D177-R179 PolarHBondContact OD1-NE 3.47Å; D177-R179 IonicContact OD2-CZ 3.28Å; D177-R179 VanDerWaalsContact OD2-CZ 3.28Å; D177-R179 IonicContact OD2-NE 3.76Å; D177-R179 PolarHBondContact OD2-NE 3.09Å; D177-R179 VanDerWaalsContact OD2-NE 3.07Å; D177-R179 IonicContact OD2-NH2 2.71Å; D177-R179 PolarHBondContact OD2-NH2 2.97Å; R179-F181 PolarHBondContact O-N 3.42Å; R179-F181 VanDerWaalsContact O-N 3.09Å; R179-Q182 HydrophobicContact CB-CG 4.42Å; R179-Q182 VanDerWaalsContact O-CB 3.27Å; R179-Q182 WeakPolarHBondContact O-CB 3.49Å; R179-Q182 VanDerWaalsContact O-CG 3.28Å; R179-Q182 WeakPolarHBondContact O-CG 3.36Å; R179-Q182 PolarHBondContact O-N 3.45Å |
| 180 | D | 94.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -59 | -21.6 | 175.3 | -71.1 | -26.6 | 0 | 0 | 0 | 113.4 | R140 S175 F176 D177 Y178 | R140-D180 WeakPolarHBondContact CD-OD1 3.35Å; R140-D180 HydrophobicContact CG-CB 3.99Å; S175-D180 VanDerWaalsContact CA-OD2 3.24Å; S175-D180 WeakPolarHBondContact CA-OD2 3.37Å; S175-D180 WeakPolarHBondContact CB-OD2 3.34Å; S175-D180 PolarHBondContact N-OD2 3Å; F176-D180 PolarHBondContact N-OD2 3.04Å; D177-D180 PolarHBondContact N-OD2 3.48Å; D177-D180 WeakPolarHBondContact O-CB 3.34Å; D177-D180 PolarHBondContact O-N 3.45Å; Y178-D180 PolarHBondContact O-N 3.03Å |
| 181 | F | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -78.8 | -15.9 | 175.3 | -65.5 | -77.7 | 0 | 0 | 0 | 113.7 | I143 Y147 M149 Q167 Y178 R179 D183 N184 F187 P195 | I143-F181 HydrophobicContact CD1-CZ 4.34Å; I143-F181 HydrophobicContact CG2-CD1 3.44Å; I143-F181 VanDerWaalsContact CG2-CD1 3.44Å; I143-F181 HydrophobicContact CG2-CE1 3.37Å; I143-F181 HydrophobicContact CG2-CG 4.17Å; I143-F181 HydrophobicContact CG2-CZ 4.03Å; Y147-F181 AromaticContact CD1-CD1 3.95Å; Y147-F181 HydrophobicContact CD1-CD1 3.95Å; Y147-F181 AromaticContact CD1-CE1 3.67Å; Y147-F181 HydrophobicContact CD1-CE1 3.67Å; Y147-F181 HydrophobicContact CD2-CE1 4.42Å; Y147-F181 HydrophobicContact CE1-CD1 4.12Å; Y147-F181 AromaticContact CE1-CE1 3.72Å; Y147-F181 HydrophobicContact CE1-CE1 3.72Å; Y147-F181 HydrophobicContact CE2-CE1 4.47Å; Y147-F181 HydrophobicContact CG-CE1 4.04Å; M149-F181 HydrophobicContact SD-CD1 4.04Å; M149-F181 HydrophobicContact SD-CG 4.39Å; Q167-F181 VanDerWaalsContact OE1-CZ 3.27Å; Y178-F181 WeakPolarHBondContact O-CD2 3.44Å; Y178-F181 PolarHBondContact O-N 2.77Å; R179-F181 PolarHBondContact O-N 3.42Å; R179-F181 VanDerWaalsContact O-N 3.09Å; F181-D183 VanDerWaalsContact C-N 3.25Å; F181-D183 PolarHBondContact O-N 3.45Å; F181-N184 VanDerWaalsContact O-CB 3.27Å; F181-N184 WeakPolarHBondContact O-CB 3.43Å; F181-N184 PolarHBondContact O-N 3.38Å; F181-F187 HydrophobicContact CB-CD1 4.41Å; F181-F187 HydrophobicContact CB-CD2 4.11Å; F181-F187 HydrophobicContact CB-CE2 4.34Å; F181-F187 HydrophobicContact CB-CG 4.1Å; F181-F187 VanDerWaalsContact O-CB 3.24Å; F181-F187 WeakPolarHBondContact O-CB 3.4Å; F181-F187 WeakPolarHBondContact O-CD1 3.32Å; F181-F187 VanDerWaalsContact O-CG 3.23Å; F181-F187 WeakPolarHBondContact O-CG 3.46Å; F181-P195 HydrophobicContact CD1-CG 4.1Å; F181-P195 HydrophobicContact CD2-CG 4.08Å; F181-P195 HydrophobicContact CE1-CG 3.73Å; F181-P195 HydrophobicContact CE2-CG 3.71Å; F181-P195 HydrophobicContact CG-CG 4.28Å; F181-P195 HydrophobicContact CZ-CG 3.54Å |
| 182 | Q | 89.7 | Confident | 91.3 | Very high | 95 Ų | 95 | 57.4 Ų | 57.4 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -32.3 | -172.3 | -69.6 | 179.1 | 1.6 | 0 | 0 | 113.9 | R179 N184 F187 K188 | R179-Q182 HydrophobicContact CB-CG 4.42Å; R179-Q182 VanDerWaalsContact O-CB 3.27Å; R179-Q182 WeakPolarHBondContact O-CB 3.49Å; R179-Q182 VanDerWaalsContact O-CG 3.28Å; R179-Q182 WeakPolarHBondContact O-CG 3.36Å; R179-Q182 PolarHBondContact O-N 3.45Å; Q182-N184 VanDerWaalsContact C-N 3.34Å; Q182-F187 HydrophobicContact CG-CE1 4.18Å; Q182-K188 VanDerWaalsContact O-CE 3.3Å; Q182-K188 WeakPolarHBondContact O-CE 3.46Å |
| 183 | D | 87.4 | Confident | 91 | Very high | 104 Ų | 104 | 63 Ų | 63 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.6 | -179.7 | -67.4 | -36.5 | 0 | 0 | 0 | 113.2 | T144 F181 | T144-D183 HydrophobicContact CG2-CB 3.67Å; F181-D183 VanDerWaalsContact C-N 3.25Å; F181-D183 PolarHBondContact O-N 3.45Å |
| 184 | N | 90.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.011 | 29% | 0.286 | C | S | . | . | trans | -73.4 | 128.3 | -179.8 | -179 | -67.4 | 0 | 0 | 0 | 111.1 | I143 T144 Y147 F181 Q182 S186 F187 K188 | I143-N184 PolarHBondContact O-ND2 3.35Å; T144-N184 PolarHBondContact O-ND2 3.45Å; Y147-N184 PolarHBondContact O-ND2 2.9Å; F181-N184 VanDerWaalsContact O-CB 3.27Å; F181-N184 WeakPolarHBondContact O-CB 3.43Å; F181-N184 PolarHBondContact O-N 3.38Å; Q182-N184 VanDerWaalsContact C-N 3.34Å; N184-S186 VanDerWaalsContact C-N 3.34Å; N184-S186 PolarHBondContact O-N 3.38Å; N184-S186 VanDerWaalsContact OD1-CA 3.32Å; N184-S186 WeakPolarHBondContact OD1-CA 3.34Å; N184-S186 WeakPolarHBondContact OD1-CB 3.17Å; N184-S186 PolarHBondContact OD1-N 3.01Å; N184-F187 HydrophobicContact CB-CB 3.85Å; N184-F187 WeakPolarHBondContact O-CB 3.47Å; N184-F187 PolarHBondContact O-N 3.45Å; N184-F187 VanDerWaalsContact O-N 3.14Å; N184-F187 PolarHBondContact OD1-N 2.8Å; N184-K188 WeakPolarHBondContact O-CG 3.42Å; N184-K188 PolarHBondContact O-N 3.17Å | ||
| 185 | E | 88.1 | Confident | 90.7 | Very high | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -33.8 | -177.5 | -70.4 | -59.1 | 133 | 0 | 0 | 113.5 | F187 K188 R189 | E185-F187 VanDerWaalsContact C-N 3.34Å; E185-K188 IonicContact OE1-NZ 3.07Å; E185-K188 PolarHBondContact OE1-NZ 2.98Å; E185-R189 WeakPolarHBondContact O-CG 3.16Å |
| 186 | S | 85.1 | Confident | 90.7 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | H148 N184 R189 Q190 | H148-S186 PolarHBondContact ND1-OG 3.16Å; N184-S186 VanDerWaalsContact C-N 3.34Å; N184-S186 PolarHBondContact O-N 3.38Å; N184-S186 VanDerWaalsContact OD1-CA 3.32Å; N184-S186 WeakPolarHBondContact OD1-CA 3.34Å; N184-S186 WeakPolarHBondContact OD1-CB 3.17Å; N184-S186 PolarHBondContact OD1-N 3.01Å; S186-R189 PolarHBondContact O-N 3.42Å; S186-Q190 WeakPolarHBondContact O-CG 3.44Å |
| 187 | F | 86.6 | Confident | 90.6 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.9 | 177.7 | -106.1 | 0 | 0 | 0 | 112.7 | M149 F181 Q182 N184 E185 R189 Q190 Y192 K193 | M149-F187 HydrophobicContact CB-CB 4.4Å; M149-F187 HydrophobicContact CE-CD2 3.29Å; M149-F187 HydrophobicContact CE-CE2 3.47Å; M149-F187 VanDerWaalsContact CE-CE2 3.47Å; M149-F187 HydrophobicContact CG-CB 4.49Å; M149-F187 HydrophobicContact CG-CD2 4.1Å; M149-F187 HydrophobicContact SD-CB 4.25Å; M149-F187 HydrophobicContact SD-CD2 3.44Å; M149-F187 WeakPolarHBondContact SD-CD2 3.2Å; M149-F187 HydrophobicContact SD-CE2 4.19Å; M149-F187 HydrophobicContact SD-CG 4.28Å; F181-F187 HydrophobicContact CB-CD1 4.41Å; F181-F187 HydrophobicContact CB-CD2 4.11Å; F181-F187 HydrophobicContact CB-CE2 4.34Å; F181-F187 HydrophobicContact CB-CG 4.1Å; F181-F187 VanDerWaalsContact O-CB 3.24Å; F181-F187 WeakPolarHBondContact O-CB 3.4Å; F181-F187 WeakPolarHBondContact O-CD1 3.32Å; F181-F187 VanDerWaalsContact O-CG 3.23Å; F181-F187 WeakPolarHBondContact O-CG 3.46Å; Q182-F187 HydrophobicContact CG-CE1 4.18Å; N184-F187 HydrophobicContact CB-CB 3.85Å; N184-F187 WeakPolarHBondContact O-CB 3.47Å; N184-F187 PolarHBondContact O-N 3.45Å; N184-F187 VanDerWaalsContact O-N 3.14Å; N184-F187 PolarHBondContact OD1-N 2.8Å; E185-F187 VanDerWaalsContact C-N 3.34Å; F187-R189 PolarHBondContact O-N 3.39Å; F187-Q190 WeakPolarHBondContact O-CB 3.4Å; F187-Q190 PolarHBondContact O-N 2.69Å; F187-Y192 VanDerWaalsContact CE2-O 3.26Å; F187-Y192 WeakPolarHBondContact CE2-O 3.35Å; F187-K193 VanDerWaalsContact CE2-C 3.44Å; F187-K193 VanDerWaalsContact CE2-O 3.25Å; F187-K193 WeakPolarHBondContact CE2-O 3.27Å; F187-K193 WeakPolarHBondContact CZ-O 3.2Å |
| 188 | K | 87 | Confident | 90.7 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -20.4 | 179.1 | -69.9 | 174.3 | -169.4 | 167.2 | 0 | 113.9 | Q182 N184 E185 Q190 | Q182-K188 VanDerWaalsContact O-CE 3.3Å; Q182-K188 WeakPolarHBondContact O-CE 3.46Å; N184-K188 WeakPolarHBondContact O-CG 3.42Å; N184-K188 PolarHBondContact O-N 3.17Å; E185-K188 IonicContact OE1-NZ 3.07Å; E185-K188 PolarHBondContact OE1-NZ 2.98Å; K188-Q190 VanDerWaalsContact C-N 3.34Å |
| 189 | R | 86.2 | Confident | 90.8 | Very high | 197 Ų | 197 | 56.1 Ų | 56.1 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4.9 | 177.5 | -63.1 | 173.4 | -172.5 | -179.6 | 1.6 | 113.2 | E185 S186 F187 | E185-R189 WeakPolarHBondContact O-CG 3.16Å; S186-R189 PolarHBondContact O-N 3.42Å; F187-R189 PolarHBondContact O-N 3.39Å |
| 190 | Q | 85.5 | Confident | 90.9 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -102.3 | 152.2 | -175.3 | -57 | -62.6 | -15.3 | 0 | 0 | 111.5 | M149 S186 F187 K188 Y192 | M149-Q190 HydrophobicContact CG-CG 4.36Å; M149-Q190 PolarHBondContact O-NE2 3.03Å; S186-Q190 WeakPolarHBondContact O-CG 3.44Å; F187-Q190 WeakPolarHBondContact O-CB 3.4Å; F187-Q190 PolarHBondContact O-N 2.69Å; K188-Q190 VanDerWaalsContact C-N 3.34Å; Q190-Y192 HydrophobicContact CB-CD1 4.14Å; Q190-Y192 HydrophobicContact CB-CD2 4.17Å; Q190-Y192 HydrophobicContact CB-CE1 3.75Å; Q190-Y192 HydrophobicContact CB-CE2 3.8Å; Q190-Y192 HydrophobicContact CB-CG 4.32Å; Q190-Y192 HydrophobicContact CG-CE1 4.02Å; Q190-Y192 HydrophobicContact CG-CE2 3.96Å; Q190-Y192 VanDerWaalsContact CG-CZ 3.5Å; Q190-Y192 VanDerWaalsContact CG-OH 3.26Å; Q190-Y192 WeakPolarHBondContact CG-OH 3.17Å; Q190-Y192 PolarHBondContact OE1-OH 3.14Å | ||
| 191 | N | 86.7 | Confident | 91 | Very high | 160 Ų | 160 | 58.6 Ų | 58.6 | 86% | 0.856 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -87.6 | -9.7 | 178.1 | -67.6 | -36.8 | 0 | 0 | 0 | 113.5 | ||
| 192 | Y | 89.6 | Confident | 91 | Very high | 16 Ų | 16 | 62.5 Ų | 62.5 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -100.3 | 157.4 | -179.2 | 48.4 | -98.7 | 0 | 0 | 0 | 112.2 | M149 D150 N151 F187 Q190 I194 W208 | M149-Y192 HydrophobicContact CE-CD2 3.6Å; M149-Y192 HydrophobicContact CE-CE2 3.36Å; M149-Y192 HydrophobicContact CG-CE2 3.66Å; M149-Y192 PolarHBondContact O-OH 2.96Å; M149-Y192 HydrophobicContact SD-CE2 4.4Å; D150-Y192 WeakPolarHBondContact CA-OH 3.44Å; N151-Y192 HydrophobicContact CB-CE1 4.02Å; N151-Y192 HydrophobicContact CB-CE2 4.26Å; N151-Y192 PolarHBondContact N-OH 3.46Å; N151-Y192 VanDerWaalsContact ND2-CD2 3.32Å; N151-Y192 WeakPolarHBondContact ND2-CD2 3.37Å; N151-Y192 WeakPolarHBondContact ND2-CE2 3.29Å; F187-Y192 VanDerWaalsContact CE2-O 3.26Å; F187-Y192 WeakPolarHBondContact CE2-O 3.35Å; Q190-Y192 HydrophobicContact CB-CD1 4.14Å; Q190-Y192 HydrophobicContact CB-CD2 4.17Å; Q190-Y192 HydrophobicContact CB-CE1 3.75Å; Q190-Y192 HydrophobicContact CB-CE2 3.8Å; Q190-Y192 HydrophobicContact CB-CG 4.32Å; Q190-Y192 HydrophobicContact CG-CE1 4.02Å; Q190-Y192 HydrophobicContact CG-CE2 3.96Å; Q190-Y192 VanDerWaalsContact CG-CZ 3.5Å; Q190-Y192 VanDerWaalsContact CG-OH 3.26Å; Q190-Y192 WeakPolarHBondContact CG-OH 3.17Å; Q190-Y192 PolarHBondContact OE1-OH 3.14Å; Y192-I194 WeakPolarHBondContact CD2-O 3.28Å; Y192-W208 WeakPolarHBondContact CB-O 3.43Å; Y192-W208 HydrophobicContact CG-CB 4.33Å |
| 193 | K | 90.6 | Very high | 91.1 | Very high | 119 Ų | 119 | 66.4 Ų | 66.4 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -93.5 | -20.6 | -171.2 | -66.9 | -169.6 | 179.9 | -175.5 | 0 | 114.9 | F187 W208 P211 | F187-K193 VanDerWaalsContact CE2-C 3.44Å; F187-K193 VanDerWaalsContact CE2-O 3.25Å; F187-K193 WeakPolarHBondContact CE2-O 3.27Å; F187-K193 WeakPolarHBondContact CZ-O 3.2Å; K193-W208 PolarHBondContact N-O 2.89Å; K193-P211 HydrophobicContact CB-CG 4.04Å |
| 194 | I | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -144 | 157 | -178.7 | 59.6 | 165.2 | 0 | 0 | 0 | 112 | M149 N151 Y178 Y192 C198 W208 P211 | M149-I194 WeakPolarHBondContact CE-O 3.15Å; N151-I194 PolarHBondContact ND2-O 2.94Å; Y178-I194 HydrophobicContact CD2-CG2 3.56Å; Y178-I194 HydrophobicContact CG-CG2 3.9Å; Y192-I194 WeakPolarHBondContact CD2-O 3.28Å; I194-C198 HydrophobicContact CB-CB 4.12Å; I194-C198 HydrophobicContact CD1-CB 3.75Å; I194-C198 HydrophobicContact CG1-CB 4.37Å; I194-W208 PolarHBondContact N-O 3.38Å; I194-P211 HydrophobicContact CD1-CB 3.54Å; I194-P211 HydrophobicContact CD1-CG 4.32Å; I194-P211 HydrophobicContact CG1-CB 3.97Å; I194-P211 HydrophobicContact CG1-CG 4.24Å; I194-P211 HydrophobicContact CG2-CB 4.31Å; I194-P211 HydrophobicContact CG2-CG 4.08Å |
| 195 | P | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -59.9 | 148.7 | 170.2 | -23.2 | 32.1 | 0 | 0 | 0 | 111.3 | Y147 M149 N151 F181 S197 C198 | Y147-P195 HydrophobicContact CE1-CG 4.17Å; Y147-P195 WeakPolarHBondContact OH-CB 3.47Å; M149-P195 HydrophobicContact CE-CB 4.19Å; M149-P195 HydrophobicContact CE-CG 3.7Å; M149-P195 HydrophobicContact SD-CB 4.44Å; M149-P195 HydrophobicContact SD-CG 3.71Å; N151-P195 WeakPolarHBondContact OD1-CA 3.33Å; F181-P195 HydrophobicContact CD1-CG 4.1Å; F181-P195 HydrophobicContact CD2-CG 4.08Å; F181-P195 HydrophobicContact CE1-CG 3.73Å; F181-P195 HydrophobicContact CE2-CG 3.71Å; F181-P195 HydrophobicContact CG-CG 4.28Å; F181-P195 HydrophobicContact CZ-CG 3.54Å; P195-S197 WeakPolarHBondContact CB-OG 3.45Å; P195-S197 PolarHBondContact O-N 3.46Å; P195-C198 WeakPolarHBondContact O-CB 3.22Å; P195-C198 PolarHBondContact O-N 3.37Å | ||
| 196 | A | 94.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -57.6 | -32 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N151 C198 C199 I202 W208 | N151-A196 HydrophobicContact CB-CB 4.11Å; N151-A196 VanDerWaalsContact CG-N 3.33Å; N151-A196 PolarHBondContact ND2-N 3.46Å; N151-A196 PolarHBondContact OD1-N 3.34Å; A196-C198 PolarHBondContact O-N 3.43Å; A196-C199 WeakPolarHBondContact O-CB 3.05Å; A196-C199 PolarHBondContact O-N 3.43Å; A196-I202 HydrophobicContact CB-CG2 3.71Å; A196-W208 HydrophobicContact CB-CZ2 4.05Å |
| 197 | S | 95 | Very high | 92.4 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -68.5 | -9.7 | 174.5 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | N164 Q167 Q168 P195 | N164-S197 WeakPolarHBondContact O-CB 3.37Å; N164-S197 WeakPolarHBondContact OD1-CB 3.35Å; N164-S197 PolarHBondContact OD1-OG 2.95Å; Q167-S197 WeakPolarHBondContact CB-O 3.47Å; Q167-S197 PolarHBondContact NE2-OG 3.26Å; Q168-S197 PolarHBondContact NE2-O 3.3Å; P195-S197 WeakPolarHBondContact CB-OG 3.45Å; P195-S197 PolarHBondContact O-N 3.46Å |
| 198 | C | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -89.6 | -6.4 | 169.8 | -72.1 | 0 | 0 | 0 | 0 | 113.4 | Q167 C173 I194 P195 A196 S216 Y217 | Q167-C198 VanDerWaalsContact CD-SG 3.52Å; Q167-C198 PolarHBondContact NE2-SG 2.88Å; Q167-C198 VanDerWaalsContact NE2-SG 3.42Å; Q167-C198 PolarHBondContact OE1-SG 2.94Å; Q167-C198 VanDerWaalsContact OE1-SG 3.42Å; C173-C198 WeakPolarHBondContact CA-SG 3.48Å; C173-C198 HydrophobicContact CB-CB 3.68Å; C173-C198 WeakPolarHBondContact CB-SG 3.17Å; C173-C198 WeakPolarHBondContact SG-CB 3.36Å; C173-C198 CovalentContact SG-SG 2.03Å; C173-C198 PolarHBondContact SG-SG 3.02Å; I194-C198 HydrophobicContact CB-CB 4.12Å; I194-C198 HydrophobicContact CD1-CB 3.75Å; I194-C198 HydrophobicContact CG1-CB 4.37Å; P195-C198 WeakPolarHBondContact O-CB 3.22Å; P195-C198 PolarHBondContact O-N 3.37Å; A196-C198 PolarHBondContact O-N 3.43Å; C198-S216 WeakPolarHBondContact O-CA 3.25Å; C198-Y217 WeakPolarHBondContact O-CD2 3.5Å; C198-Y217 PolarHBondContact O-N 2.81Å |
| 199 | C | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -88.7 | 150.2 | 178.6 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | Q168 A196 D201 C207 | Q168-C199 PolarHBondContact NE2-O 2.66Å; A196-C199 WeakPolarHBondContact O-CB 3.05Å; A196-C199 PolarHBondContact O-N 3.43Å; C199-D201 VanDerWaalsContact C-N 3.26Å; C199-D201 WeakPolarHBondContact CB-O 3.07Å; C199-D201 PolarHBondContact O-N 3.21Å; C199-C207 WeakPolarHBondContact CA-SG 3.28Å; C199-C207 HydrophobicContact CB-CB 3.81Å; C199-C207 WeakPolarHBondContact CB-SG 3.11Å; C199-C207 WeakPolarHBondContact SG-CB 3.44Å; C199-C207 CovalentContact SG-SG 2.03Å; C199-C207 PolarHBondContact SG-SG 3.45Å |
| 200 | K | 96.9 | Very high | 93.3 | Very high | 102 Ų | 102 | 66.3 Ų | 66.3 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -66.2 | -34.5 | 173.7 | -67.9 | -179.3 | -172.7 | 174.4 | 0 | 111.5 | T213 Q214 N215 Y217 | K200-T213 PolarHBondContact NZ-O 2.92Å; K200-Q214 VanDerWaalsContact CD-O 3.28Å; K200-Q214 WeakPolarHBondContact CD-O 3.13Å; K200-Q214 VanDerWaalsContact CE-O 3.25Å; K200-Q214 WeakPolarHBondContact CE-O 3.35Å; K200-Q214 PolarHBondContact NZ-O 3.18Å; K200-N215 WeakPolarHBondContact CB-O 3.3Å; K200-N215 WeakPolarHBondContact CG-O 3.46Å; K200-N215 PolarHBondContact N-O 2.99Å; K200-Y217 HydrophobicContact CD-CE1 4.38Å; K200-Y217 HydrophobicContact CG-CD1 4.36Å; K200-Y217 HydrophobicContact CG-CE1 3.63Å; K200-Y217 HydrophobicContact CG-CE2 4.32Å |
| 201 | D | 95.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -116.3 | 117.2 | 166.2 | -176.7 | -8.4 | 0 | 0 | 0 | 108.4 | C199 K203 D204 | C199-D201 VanDerWaalsContact C-N 3.26Å; C199-D201 WeakPolarHBondContact CB-O 3.07Å; C199-D201 PolarHBondContact O-N 3.21Å; D201-K203 PolarHBondContact O-N 3.15Å; D201-K203 PolarHBondContact OD1-N 3Å; D201-D204 HydrophobicContact CB-CB 4.1Å; D201-D204 WeakPolarHBondContact O-CB 3.4Å; D201-D204 PolarHBondContact O-N 3.09Å; D201-D204 VanDerWaalsContact O-N 3.14Å |
| 202 | I | 92.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29 | -179.2 | -61.2 | 169.6 | 0 | 0 | 0 | 110.7 | Q168 A196 D204 W208 | Q168-I202 VanDerWaalsContact CD-CG1 3.48Å; Q168-I202 HydrophobicContact CG-CD1 3.88Å; Q168-I202 HydrophobicContact CG-CG1 4.2Å; A196-I202 HydrophobicContact CB-CG2 3.71Å; I202-D204 VanDerWaalsContact C-N 3.35Å; I202-W208 VanDerWaalsContact O-CE2 3.26Å; I202-W208 WeakPolarHBondContact O-CZ2 3.34Å; I202-W208 PolarHBondContact O-NE1 3.5Å |
| 203 | K | 91.9 | Very high | 94.4 | Very high | 177 Ų | 177 | 63 Ų | 63 | 77% | 0.77 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.7 | -177.5 | -61.9 | -178.3 | -178.8 | 179.5 | 0 | 113.7 | D201 K205 | D201-K203 PolarHBondContact O-N 3.15Å; D201-K203 PolarHBondContact OD1-N 3Å; K203-K205 PolarHBondContact O-N 3.23Å |
| 204 | D | 94.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | trans | -74.3 | 95.4 | 179.2 | 179.8 | 6.3 | 0 | 0 | 0 | 110.9 | D201 I202 E206 C207 W208 | D201-D204 HydrophobicContact CB-CB 4.1Å; D201-D204 WeakPolarHBondContact O-CB 3.4Å; D201-D204 PolarHBondContact O-N 3.09Å; D201-D204 VanDerWaalsContact O-N 3.14Å; I202-D204 VanDerWaalsContact C-N 3.35Å; D204-E206 PolarHBondContact O-N 2.73Å; D204-E206 WeakPolarHBondContact OD1-CA 3.39Å; D204-E206 WeakPolarHBondContact OD1-CB 3.28Å; D204-E206 PolarHBondContact OD1-N 3.36Å; D204-C207 HydrophobicContact CB-CB 3.93Å; D204-C207 WeakPolarHBondContact O-CB 3.4Å; D204-C207 PolarHBondContact O-N 2.81Å; D204-C207 VanDerWaalsContact O-N 3.12Å; D204-C207 PolarHBondContact OD1-N 3.32Å; D204-C207 VanDerWaalsContact OD1-N 3.15Å; D204-C207 VanDerWaalsContact OD2-CB 3.27Å; D204-C207 WeakPolarHBondContact OD2-CB 3.34Å; D204-W208 PolarHBondContact O-N 2.94Å; D204-W208 PolarHBondContact O-NE1 2.9Å | ||
| 205 | K | 93 | Very high | 94.7 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.1 | -30.5 | 176.6 | -63.9 | -169 | 175.7 | -174.1 | 0 | 112.9 | K203 C207 W208 E209 | K203-K205 PolarHBondContact O-N 3.23Å; K205-C207 VanDerWaalsContact C-N 3.28Å; K205-C207 PolarHBondContact O-N 2.86Å; K205-W208 HydrophobicContact CB-CE3 4.3Å; K205-W208 HydrophobicContact CD-CZ3 4.33Å; K205-W208 HydrophobicContact CG-CD2 4.41Å; K205-W208 HydrophobicContact CG-CE3 3.98Å; K205-W208 HydrophobicContact CG-CH2 4.04Å; K205-W208 HydrophobicContact CG-CZ2 4.43Å; K205-W208 HydrophobicContact CG-CZ3 3.79Å; K205-W208 PolarHBondContact O-N 3.42Å; K205-E209 PolarHBondContact O-N 3.44Å |
| 206 | E | 94.8 | Very high | 94.9 | Very high | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 176.7 | -176.4 | 170.2 | -164.4 | 0 | 0 | 110.5 | D204 E209 R210 | D204-E206 PolarHBondContact O-N 2.73Å; D204-E206 WeakPolarHBondContact OD1-CA 3.39Å; D204-E206 WeakPolarHBondContact OD1-CB 3.28Å; D204-E206 PolarHBondContact OD1-N 3.36Å; E206-E209 PolarHBondContact O-N 3.47Å; E206-R210 CarbonylContact O-C 3.39Å; E206-R210 WeakPolarHBondContact O-CA 3.37Å; E206-R210 PolarHBondContact O-N 3.24Å |
| 207 | C | 96 | Very high | 95 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 172.8 | 175.6 | 0 | 0 | 0 | 0 | 113.2 | C199 D204 K205 E209 P211 N215 S216 | C199-C207 WeakPolarHBondContact CA-SG 3.28Å; C199-C207 HydrophobicContact CB-CB 3.81Å; C199-C207 WeakPolarHBondContact CB-SG 3.11Å; C199-C207 WeakPolarHBondContact SG-CB 3.44Å; C199-C207 CovalentContact SG-SG 2.03Å; C199-C207 PolarHBondContact SG-SG 3.45Å; D204-C207 HydrophobicContact CB-CB 3.93Å; D204-C207 WeakPolarHBondContact O-CB 3.4Å; D204-C207 PolarHBondContact O-N 2.81Å; D204-C207 VanDerWaalsContact O-N 3.12Å; D204-C207 PolarHBondContact OD1-N 3.32Å; D204-C207 VanDerWaalsContact OD1-N 3.15Å; D204-C207 VanDerWaalsContact OD2-CB 3.27Å; D204-C207 WeakPolarHBondContact OD2-CB 3.34Å; K205-C207 VanDerWaalsContact C-N 3.28Å; K205-C207 PolarHBondContact O-N 2.86Å; C207-E209 VanDerWaalsContact C-N 3.34Å; C207-E209 PolarHBondContact O-N 3.05Å; C207-P211 WeakPolarHBondContact O-CA 3.05Å; C207-P211 WeakPolarHBondContact O-CB 3.47Å; C207-P211 WeakPolarHBondContact O-CD 3.29Å; C207-N215 WeakPolarHBondContact CA-ND2 2.99Å; C207-N215 HydrophobicContact CB-CB 4.17Å; C207-N215 PolarHBondContact SG-O 3.38Å; C207-S216 VanDerWaalsContact SG-CB 3.55Å |
| 208 | W | 92.7 | Very high | 95 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 178.7 | -52.5 | -11.1 | 0 | 0 | 0 | 111.2 | N151 Y192 K193 I194 A196 I202 D204 K205 | N151-W208 HydrophobicContact CB-CD2 3.99Å; N151-W208 HydrophobicContact CB-CE3 3.8Å; N151-W208 HydrophobicContact CB-CH2 4.01Å; N151-W208 HydrophobicContact CB-CZ2 4.21Å; N151-W208 HydrophobicContact CB-CZ3 3.8Å; N151-W208 VanDerWaalsContact ND2-CG 3.32Å; Y192-W208 WeakPolarHBondContact CB-O 3.43Å; Y192-W208 HydrophobicContact CG-CB 4.33Å; K193-W208 PolarHBondContact N-O 2.89Å; I194-W208 PolarHBondContact N-O 3.38Å; A196-W208 HydrophobicContact CB-CZ2 4.05Å; I202-W208 VanDerWaalsContact O-CE2 3.26Å; I202-W208 WeakPolarHBondContact O-CZ2 3.34Å; I202-W208 PolarHBondContact O-NE1 3.5Å; D204-W208 PolarHBondContact O-N 2.94Å; D204-W208 PolarHBondContact O-NE1 2.9Å; K205-W208 HydrophobicContact CB-CE3 4.3Å; K205-W208 HydrophobicContact CD-CZ3 4.33Å; K205-W208 HydrophobicContact CG-CD2 4.41Å; K205-W208 HydrophobicContact CG-CE3 3.98Å; K205-W208 HydrophobicContact CG-CH2 4.04Å; K205-W208 HydrophobicContact CG-CZ2 4.43Å; K205-W208 HydrophobicContact CG-CZ3 3.79Å; K205-W208 PolarHBondContact O-N 3.42Å |
| 209 | E | 92.2 | Very high | 94.9 | Very high | 98 Ų | 98 | 73.7 Ų | 73.7 | 46% | 0.458 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -85 | -40.1 | -175.6 | -64.6 | 179.8 | -172.8 | 0 | 0 | 113.1 | K205 E206 C207 P211 | K205-E209 PolarHBondContact O-N 3.44Å; E206-E209 PolarHBondContact O-N 3.47Å; C207-E209 VanDerWaalsContact C-N 3.34Å; C207-E209 PolarHBondContact O-N 3.05Å; E209-P211 VanDerWaalsContact C-CD 3.46Å; E209-P211 WeakPolarHBondContact O-CD 3.44Å |
| 210 | R | 94.7 | Very high | 94.8 | Very high | 164 Ų | 164 | 77.4 Ų | 77.4 | 62% | 0.619 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -127.5 | 70 | -175.4 | -60.3 | -172.2 | -172.8 | 118.1 | 6.4 | 111 | E206 T212 N215 | E206-R210 CarbonylContact O-C 3.39Å; E206-R210 WeakPolarHBondContact O-CA 3.37Å; E206-R210 PolarHBondContact O-N 3.24Å; R210-T212 PolarHBondContact O-N 2.91Å; R210-N215 PolarHBondContact O-ND2 2.85Å |
| 211 | P | 95.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 73.4 Ų | 73.4 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | trans | -68.8 | 125 | 178.8 | 29.4 | -36.6 | 0 | 0 | 0 | 111.7 | K193 I194 C207 E209 K218 | K193-P211 HydrophobicContact CB-CG 4.04Å; I194-P211 HydrophobicContact CD1-CB 3.54Å; I194-P211 HydrophobicContact CD1-CG 4.32Å; I194-P211 HydrophobicContact CG1-CB 3.97Å; I194-P211 HydrophobicContact CG1-CG 4.24Å; I194-P211 HydrophobicContact CG2-CB 4.31Å; I194-P211 HydrophobicContact CG2-CG 4.08Å; C207-P211 WeakPolarHBondContact O-CA 3.05Å; C207-P211 WeakPolarHBondContact O-CB 3.47Å; C207-P211 WeakPolarHBondContact O-CD 3.29Å; E209-P211 VanDerWaalsContact C-CD 3.46Å; E209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-K218 HydrophobicContact CB-CB 4.47Å; P211-K218 HydrophobicContact CB-CD 4.08Å; P211-K218 HydrophobicContact CG-CD 4.5Å; P211-K218 WeakPolarHBondContact O-CD 3.42Å; P211-K218 PolarHBondContact O-NZ 3.3Å | ||
| 212 | T | 95.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 69 Ų | 69 | 37% | 0.368 | 34% | 0.337 | S | S | . | . | trans | -115.9 | 163.9 | 171.7 | 71.5 | 0 | 0 | 0 | 0 | 109.6 | R210 Q214 N215 S216 | R210-T212 PolarHBondContact O-N 2.91Å; T212-Q214 PolarHBondContact O-N 3.03Å; T212-Q214 PolarHBondContact OG1-N 3.41Å; T212-N215 WeakPolarHBondContact CA-OD1 3.49Å; T212-N215 PolarHBondContact N-OD1 2.75Å; T212-N215 PolarHBondContact O-N 3.37Å; T212-N215 PolarHBondContact O-OD1 2.91Å; T212-N215 PolarHBondContact OG1-N 3.16Å; T212-N215 PolarHBondContact OG1-OD1 3.35Å; T212-S216 WeakPolarHBondContact O-CB 3.04Å; T212-S216 PolarHBondContact O-N 3.02Å; T212-S216 PolarHBondContact O-OG 3.14Å | ||
| 213 | T | 94.1 | Very high | 95 | Very high | 89 Ų | 89 | 66 Ų | 66 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.5 | 173.5 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | K200 D219 | K200-T213 PolarHBondContact NZ-O 2.92Å; T213-D219 WeakPolarHBondContact CG2-OD2 3.28Å |
| 214 | Q | 95.2 | Very high | 95.1 | Very high | 163 Ų | 163 | 62.6 Ų | 62.6 | 76% | 0.762 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -35.5 | 179.7 | -64.2 | -175.2 | 11.5 | 0 | 0 | 112.6 | K200 T212 | K200-Q214 VanDerWaalsContact CD-O 3.28Å; K200-Q214 WeakPolarHBondContact CD-O 3.13Å; K200-Q214 VanDerWaalsContact CE-O 3.25Å; K200-Q214 WeakPolarHBondContact CE-O 3.35Å; K200-Q214 PolarHBondContact NZ-O 3.18Å; T212-Q214 PolarHBondContact O-N 3.03Å; T212-Q214 PolarHBondContact OG1-N 3.41Å |
| 215 | N | 96.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -12.2 | -179.6 | 66.6 | -0.7 | 0 | 0 | 0 | 114.2 | K200 C207 R210 T212 | K200-N215 WeakPolarHBondContact CB-O 3.3Å; K200-N215 WeakPolarHBondContact CG-O 3.46Å; K200-N215 PolarHBondContact N-O 2.99Å; C207-N215 WeakPolarHBondContact CA-ND2 2.99Å; C207-N215 HydrophobicContact CB-CB 4.17Å; C207-N215 PolarHBondContact SG-O 3.38Å; R210-N215 PolarHBondContact O-ND2 2.85Å; T212-N215 WeakPolarHBondContact CA-OD1 3.49Å; T212-N215 PolarHBondContact N-OD1 2.75Å; T212-N215 PolarHBondContact O-N 3.37Å; T212-N215 PolarHBondContact O-OD1 2.91Å; T212-N215 PolarHBondContact OG1-N 3.16Å; T212-N215 PolarHBondContact OG1-OD1 3.35Å |
| 216 | S | 97.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -135.1 | 171.1 | -174.8 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | C198 C207 T212 K218 | C198-S216 WeakPolarHBondContact O-CA 3.25Å; C207-S216 VanDerWaalsContact SG-CB 3.55Å; T212-S216 WeakPolarHBondContact O-CB 3.04Å; T212-S216 PolarHBondContact O-N 3.02Å; T212-S216 PolarHBondContact O-OG 3.14Å; S216-K218 WeakPolarHBondContact OG-CB 3.4Å; S216-K218 WeakPolarHBondContact OG-CG 3.27Å; S216-K218 PolarHBondContact OG-N 3.4Å |
| 217 | Y | 96.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 14% | 0.137 | 27% | 0.266 | C | S | . | . | trans | -100.2 | 23.2 | 172 | -51.2 | -57.3 | 0 | 0 | 0 | 112.6 | K171 C173 C198 K200 D219 T220 | K171-Y217 HydrophobicContact CB-CD1 3.73Å; K171-Y217 HydrophobicContact CB-CD2 4.36Å; K171-Y217 HydrophobicContact CB-CE1 3.51Å; K171-Y217 HydrophobicContact CB-CE2 4.17Å; K171-Y217 HydrophobicContact CB-CG 4.15Å; K171-Y217 HydrophobicContact CD-CE1 4.15Å; K171-Y217 HydrophobicContact CG-CE1 3.83Å; K171-Y217 HydrophobicContact CG-CE2 4.29Å; K171-Y217 WeakPolarHBondContact O-CB 3.23Å; C173-Y217 WeakPolarHBondContact CB-O 3.45Å; C198-Y217 WeakPolarHBondContact O-CD2 3.5Å; C198-Y217 PolarHBondContact O-N 2.81Å; K200-Y217 HydrophobicContact CD-CE1 4.38Å; K200-Y217 HydrophobicContact CG-CD1 4.36Å; K200-Y217 HydrophobicContact CG-CE1 3.63Å; K200-Y217 HydrophobicContact CG-CE2 4.32Å; Y217-D219 VanDerWaalsContact C-N 3.26Å; Y217-D219 PolarHBondContact O-N 2.77Å; Y217-D219 VanDerWaalsContact O-N 3.09Å; Y217-T220 PolarHBondContact O-N 2.73Å | ||
| 218 | K | 95.2 | Very high | 95.3 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.5 | -165.7 | 69.4 | 175.6 | -170.1 | 175.1 | 0 | 115.5 | Y178 P211 S216 | Y178-K218 HydrophobicContact CD1-CB 3.73Å; Y178-K218 HydrophobicContact CD1-CD 4.49Å; Y178-K218 HydrophobicContact CD1-CG 4.33Å; Y178-K218 WeakPolarHBondContact CD1-O 3.24Å; Y178-K218 HydrophobicContact CE1-CB 4.46Å; Y178-K218 HydrophobicContact CE1-CD 4.42Å; Y178-K218 HydrophobicContact CG-CB 3.92Å; Y178-K218 PolarHBondContact N-O 3.03Å; P211-K218 HydrophobicContact CB-CB 4.47Å; P211-K218 HydrophobicContact CB-CD 4.08Å; P211-K218 HydrophobicContact CG-CD 4.5Å; P211-K218 WeakPolarHBondContact O-CD 3.42Å; P211-K218 PolarHBondContact O-NZ 3.3Å; S216-K218 WeakPolarHBondContact OG-CB 3.4Å; S216-K218 WeakPolarHBondContact OG-CG 3.27Å; S216-K218 PolarHBondContact OG-N 3.4Å |
| 219 | D | 95 | Very high | 95.3 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.2 | -174.2 | -60.1 | -43.9 | 0 | 0 | 0 | 112.6 | T213 Y217 | T213-D219 WeakPolarHBondContact CG2-OD2 3.28Å; Y217-D219 VanDerWaalsContact C-N 3.26Å; Y217-D219 PolarHBondContact O-N 2.77Å; Y217-D219 VanDerWaalsContact O-N 3.09Å |
| 220 | T | 96.2 | Very high | 95.5 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | trans | -108 | 100.8 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | C172 C173 Y217 | C172-T220 CarbonylContact C-O 3.59Å; C172-T220 WeakPolarHBondContact CA-O 3.24Å; C172-T220 HydrophobicContact CB-CG2 4.24Å; C172-T220 VanDerWaalsContact CB-O 3.24Å; C172-T220 WeakPolarHBondContact CB-O 3.26Å; C173-T220 PolarHBondContact N-O 3.02Å; Y217-T220 PolarHBondContact O-N 2.73Å | ||
| 221 | G | 96.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 19% | 0.186 | 28% | 0.279 | C | S | . | . | trans | -67.5 | 148.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S175 F176 F223 | S175-G221 CarbonylContact O-C 3.43Å; S175-G221 VanDerWaalsContact O-C 3.27Å; S175-G221 WeakPolarHBondContact O-CA 3.26Å; F176-G221 VanDerWaalsContact C-CA 3.47Å; F176-G221 WeakPolarHBondContact O-CA 3.25Å; F176-G221 PolarHBondContact O-N 2.88Å; F176-G221 VanDerWaalsContact O-N 3.16Å; G221-F223 PolarHBondContact O-N 3.42Å | ||
| 222 | C | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -76.6 | -7.6 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | Y139 I166 C172 G174 S175 E224 F225 L226 | Y139-C222 HydrophobicContact CE1-CB 4.28Å; I166-C222 HydrophobicContact CG2-CB 4.2Å; C172-C222 HydrophobicContact CB-CB 3.92Å; C172-C222 WeakPolarHBondContact CB-SG 3.41Å; C172-C222 WeakPolarHBondContact SG-CA 3.44Å; C172-C222 WeakPolarHBondContact SG-CB 3.4Å; C172-C222 CovalentContact SG-SG 2.04Å; C172-C222 PolarHBondContact SG-SG 2.95Å; G174-C222 WeakPolarHBondContact O-CB 3.43Å; G174-C222 PolarHBondContact O-N 3.45Å; G174-C222 VanDerWaalsContact O-N 3.07Å; G174-C222 PolarHBondContact O-SG 3.49Å; G174-C222 VanDerWaalsContact O-SG 3.33Å; S175-C222 PolarHBondContact O-N 2.71Å; C222-E224 PolarHBondContact O-N 2.98Å; C222-F225 WeakPolarHBondContact O-CB 2.97Å; C222-F225 PolarHBondContact O-N 3.46Å; C222-L226 HydrophobicContact CB-CD1 4.45Å; C222-L226 WeakPolarHBondContact O-CG 3.35Å; C222-L226 PolarHBondContact O-N 2.9Å |
| 223 | F | 96.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.5 | -49.1 | -176.5 | 169.1 | -110.2 | 0 | 0 | 0 | 114.7 | R132 G136 S175 F176 G221 F225 L226 W227 | R132-F223 HydrophobicContact CG-CE1 4.32Å; R132-F223 HydrophobicContact CG-CE2 4.12Å; R132-F223 HydrophobicContact CG-CZ 3.49Å; R132-F223 VanDerWaalsContact CG-CZ 3.49Å; R132-F223 WeakPolarHBondContact O-CE2 3.2Å; G136-F223 VanDerWaalsContact CA-CD2 3.43Å; S175-F223 WeakPolarHBondContact O-CB 3.34Å; S175-F223 PolarHBondContact O-N 3.38Å; F176-F223 HydrophobicContact CD1-CB 4.33Å; F176-F223 HydrophobicContact CD1-CG 4.42Å; F176-F223 HydrophobicContact CE1-CB 4.41Å; F176-F223 HydrophobicContact CE1-CD1 4.35Å; F176-F223 HydrophobicContact CE1-CD2 4.26Å; F176-F223 HydrophobicContact CE1-CG 4.09Å; G221-F223 PolarHBondContact O-N 3.42Å; F223-F225 PolarHBondContact O-N 3.49Å; F223-L226 PolarHBondContact O-N 3.33Å; F223-L226 VanDerWaalsContact O-N 3.16Å; F223-W227 PolarHBondContact O-N 3.16Å |
| 224 | E | 93.3 | Very high | 95.6 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | -178.4 | -70.3 | -56.9 | 145 | 0 | 0 | 111.5 | R132 C222 S228 | R132-E224 IonicContact CZ-OE1 2.66Å; R132-E224 IonicContact CZ-OE2 2.74Å; R132-E224 IonicContact NH2-OE1 2.75Å; R132-E224 PolarHBondContact NH2-OE1 3.32Å; R132-E224 IonicContact NH2-OE2 3.48Å; R132-E224 PolarHBondContact NH2-OE2 2.81Å; C222-E224 PolarHBondContact O-N 2.98Å; E224-S228 VanDerWaalsContact O-CB 3.25Å; E224-S228 WeakPolarHBondContact O-CB 3.09Å; E224-S228 PolarHBondContact O-N 2.92Å |
| 225 | F | 94.3 | Very high | 95.7 | Very high | 62 Ų | 62 | 48 Ų | 48 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -48.7 | 173 | 166.1 | -104.7 | 0 | 0 | 0 | 111.4 | I166 H170 C222 F223 W227 S228 A229 | I166-F225 HydrophobicContact CG1-CE1 4.45Å; I166-F225 HydrophobicContact CG2-CD1 4.01Å; I166-F225 HydrophobicContact CG2-CE1 4.03Å; H170-F225 HydrophobicContact CB-CD1 4.18Å; H170-F225 HydrophobicContact CB-CD2 4.42Å; H170-F225 HydrophobicContact CB-CG 4.07Å; H170-F225 AromaticContact CD2-CD1 3.76Å; H170-F225 AromaticContact CD2-CE1 3.34Å; H170-F225 WeakPolarHBondContact CD2-CE1 3.11Å; H170-F225 AromaticContact CD2-CE2 3.65Å; H170-F225 AromaticContact CD2-CZ 3.29Å; H170-F225 WeakPolarHBondContact CD2-CZ 3.32Å; H170-F225 AromaticContact CE1-CD2 3.66Å; H170-F225 AromaticContact CE1-CE2 3.11Å; H170-F225 WeakPolarHBondContact CE1-CE2 3.36Å; H170-F225 AromaticContact CE1-CZ 3.47Å; H170-F225 VanDerWaalsContact CE1-CZ 3.47Å; H170-F225 WeakPolarHBondContact CE1-CZ 3.38Å; H170-F225 AromaticContact CG-CD1 3.81Å; H170-F225 AromaticContact CG-CD2 3.68Å; H170-F225 AromaticContact CG-CE1 3.85Å; H170-F225 AromaticContact CG-CE2 3.75Å; H170-F225 AromaticContact CG-CG 3.72Å; H170-F225 AromaticContact CG-CZ 3.83Å; H170-F225 AromaticContact ND1-CD2 3.44Å; H170-F225 WeakPolarHBondContact ND1-CD2 3.24Å; H170-F225 AromaticContact ND1-CE2 3.43Å; H170-F225 WeakPolarHBondContact ND1-CE2 3.2Å; H170-F225 AromaticContact ND1-CG 3.96Å; H170-F225 AromaticContact ND1-CZ 3.92Å; H170-F225 AromaticContact NE2-CE1 3.66Å; H170-F225 AromaticContact NE2-CE2 3.28Å; H170-F225 VanDerWaalsContact NE2-CE2 3.28Å; H170-F225 WeakPolarHBondContact NE2-CE2 3.4Å; H170-F225 AromaticContact NE2-CZ 3.05Å; H170-F225 WeakPolarHBondContact NE2-CZ 3.48Å; C222-F225 WeakPolarHBondContact O-CB 2.97Å; C222-F225 PolarHBondContact O-N 3.46Å; F223-F225 PolarHBondContact O-N 3.49Å; F225-W227 VanDerWaalsContact C-N 3.29Å; F225-W227 PolarHBondContact O-N 3.39Å; F225-S228 WeakPolarHBondContact O-CB 3.46Å; F225-S228 PolarHBondContact O-N 3.11Å; F225-S228 VanDerWaalsContact O-N 3.11Å; F225-A229 HydrophobicContact CE2-CB 4.43Å; F225-A229 HydrophobicContact CZ-CB 4.3Å; F225-A229 WeakPolarHBondContact O-CB 3.37Å; F225-A229 PolarHBondContact O-N 3.35Å |
| 226 | L | 95.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -43 | 178.6 | -70.8 | 170.8 | 0 | 0 | 0 | 111.5 | L135 Y139 I166 C222 F223 A229 A230 | L135-L226 HydrophobicContact CD2-CB 4.2Å; Y139-L226 HydrophobicContact CD1-CD1 3.3Å; Y139-L226 HydrophobicContact CD2-CD1 3.94Å; Y139-L226 HydrophobicContact CE1-CD1 3.62Å; Y139-L226 HydrophobicContact CE2-CD1 4.22Å; Y139-L226 HydrophobicContact CG-CD1 3.47Å; Y139-L226 VanDerWaalsContact CG-CD1 3.47Å; I166-L226 HydrophobicContact CD1-CD2 4.13Å; C222-L226 HydrophobicContact CB-CD1 4.45Å; C222-L226 WeakPolarHBondContact O-CG 3.35Å; C222-L226 PolarHBondContact O-N 2.9Å; F223-L226 PolarHBondContact O-N 3.33Å; F223-L226 VanDerWaalsContact O-N 3.16Å; L226-A229 PolarHBondContact O-N 2.84Å; L226-A230 VanDerWaalsContact O-CB 3.3Å; L226-A230 WeakPolarHBondContact O-CB 3.05Å; L226-A230 PolarHBondContact O-N 2.81Å |
| 227 | W | 95.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 55 Ų | 55 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.4 | -179.7 | -114.4 | 0 | 0 | 0 | 112.3 | K128 R132 L135 F223 F225 A229 A230 Q231 | K128-W227 HydrophobicContact CD-CZ2 4.32Å; K128-W227 VanDerWaalsContact CE-CZ2 3.49Å; K128-W227 HydrophobicContact CG-CH2 4.06Å; K128-W227 HydrophobicContact CG-CZ2 3.82Å; R132-W227 VanDerWaalsContact CA-CZ3 3.45Å; R132-W227 HydrophobicContact CB-CD2 3.75Å; R132-W227 HydrophobicContact CB-CE3 3.73Å; R132-W227 HydrophobicContact CB-CG 4.47Å; R132-W227 HydrophobicContact CB-CH2 3.73Å; R132-W227 HydrophobicContact CB-CZ2 3.75Å; R132-W227 HydrophobicContact CB-CZ3 3.73Å; R132-W227 HydrophobicContact CG-CB 4.43Å; R132-W227 HydrophobicContact CG-CD2 3.59Å; R132-W227 HydrophobicContact CG-CE3 3.94Å; R132-W227 HydrophobicContact CG-CG 3.78Å; R132-W227 HydrophobicContact CG-CZ2 4.32Å; R132-W227 HydrophobicContact CG-CZ3 4.45Å; L135-W227 HydrophobicContact CD2-CE3 3.97Å; F223-W227 PolarHBondContact O-N 3.16Å; F225-W227 VanDerWaalsContact C-N 3.29Å; F225-W227 PolarHBondContact O-N 3.39Å; W227-A229 PolarHBondContact O-N 3.18Å; W227-A230 PolarHBondContact O-N 2.83Å; W227-Q231 WeakPolarHBondContact O-CB 3Å; W227-Q231 PolarHBondContact O-N 2.8Å |
| 228 | S | 95.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 55 Ų | 55 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | E224 F225 P232 | E224-S228 VanDerWaalsContact O-CB 3.25Å; E224-S228 WeakPolarHBondContact O-CB 3.09Å; E224-S228 PolarHBondContact O-N 2.92Å; F225-S228 WeakPolarHBondContact O-CB 3.46Å; F225-S228 PolarHBondContact O-N 3.11Å; F225-S228 VanDerWaalsContact O-N 3.11Å; S228-P232 WeakPolarHBondContact O-CD 3.37Å |
| 229 | A | 94.1 | Very high | 96 | Very high | 53 Ų | 53 | 61 Ų | 61 | 44% | 0.438 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.8 | -35.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F225 L226 W227 P232 | F225-A229 HydrophobicContact CE2-CB 4.43Å; F225-A229 HydrophobicContact CZ-CB 4.3Å; F225-A229 WeakPolarHBondContact O-CB 3.37Å; F225-A229 PolarHBondContact O-N 3.35Å; L226-A229 PolarHBondContact O-N 2.84Å; W227-A229 PolarHBondContact O-N 3.18Å; A229-P232 WeakPolarHBondContact O-CD 3.22Å |
| 230 | A | 94.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 26% | 0.256 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -81.4 | -28.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L135 L226 W227 S233 Y234 | L135-A230 HydrophobicContact CD2-CB 3.73Å; L226-A230 VanDerWaalsContact O-CB 3.3Å; L226-A230 WeakPolarHBondContact O-CB 3.05Å; L226-A230 PolarHBondContact O-N 2.81Å; W227-A230 PolarHBondContact O-N 2.83Å; A230-S233 WeakPolarHBondContact O-CB 3.32Å; A230-S233 PolarHBondContact O-N 2.92Å; A230-S233 VanDerWaalsContact O-N 3.14Å; A230-Y234 PolarHBondContact O-N 2.66Å |
| 231 | Q | 95.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.8 | -41.9 | -175.6 | 179.5 | -175.9 | -115 | 0 | 0 | 113.7 | W227 S233 Y234 R235 | W227-Q231 WeakPolarHBondContact O-CB 3Å; W227-Q231 PolarHBondContact O-N 2.8Å; Q231-S233 PolarHBondContact O-N 3.42Å; Q231-Y234 PolarHBondContact O-N 3.43Å; Q231-R235 VanDerWaalsContact NE2-NH2 3.14Å; Q231-R235 WeakPolarHBondContact O-CG 3.13Å; Q231-R235 PolarHBondContact O-N 3.45Å |
| 232 | P | 96.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 174.6 | -26.3 | 35.2 | 0 | 0 | 0 | 112.4 | S228 A229 Y234 R235 I236 | S228-P232 WeakPolarHBondContact O-CD 3.37Å; A229-P232 WeakPolarHBondContact O-CD 3.22Å; P232-Y234 PolarHBondContact O-N 3.32Å; P232-R235 PolarHBondContact O-N 3.42Å; P232-I236 WeakPolarHBondContact O-CG1 3.35Å; P232-I236 PolarHBondContact O-N 2.64Å |
| 233 | S | 95.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 47% | 0.469 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | A230 Q231 R235 I236 I237 | A230-S233 WeakPolarHBondContact O-CB 3.32Å; A230-S233 PolarHBondContact O-N 2.92Å; A230-S233 VanDerWaalsContact O-N 3.14Å; Q231-S233 PolarHBondContact O-N 3.42Å; S233-R235 VanDerWaalsContact C-N 3.3Å; S233-R235 PolarHBondContact O-N 3.12Å; S233-I236 PolarHBondContact O-N 3.24Å; S233-I237 WeakPolarHBondContact O-CB 3.44Å; S233-I237 VanDerWaalsContact O-CG1 3.25Å; S233-I237 WeakPolarHBondContact O-CG1 3.14Å; S233-I237 PolarHBondContact O-N 3.48Å |
| 234 | Y | 95.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 174.3 | 175.1 | -86.6 | 0 | 0 | 0 | 112.1 | F124 K128 F131 A230 Q231 P232 I237 L238 | F124-Y234 HydrophobicContact CD1-CE2 4.1Å; F124-Y234 HydrophobicContact CD2-CE2 4.38Å; F124-Y234 AromaticContact CE1-CD2 3.75Å; F124-Y234 HydrophobicContact CE1-CD2 3.75Å; F124-Y234 AromaticContact CE1-CE2 3.58Å; F124-Y234 HydrophobicContact CE1-CE2 3.58Å; F124-Y234 HydrophobicContact CE1-CG 4.3Å; F124-Y234 HydrophobicContact CE2-CD2 4.04Å; F124-Y234 AromaticContact CE2-CE2 3.9Å; F124-Y234 HydrophobicContact CE2-CE2 3.9Å; F124-Y234 HydrophobicContact CG-CE2 4.47Å; F124-Y234 AromaticContact CZ-CD2 3.37Å; F124-Y234 HydrophobicContact CZ-CD2 3.37Å; F124-Y234 AromaticContact CZ-CE2 3.48Å; F124-Y234 HydrophobicContact CZ-CE2 3.48Å; F124-Y234 VanDerWaalsContact CZ-CE2 3.48Å; F124-Y234 HydrophobicContact CZ-CG 4.19Å; F124-Y234 PolarHBondContact O-OH 2.87Å; K128-Y234 WeakPolarHBondContact CA-OH 3.26Å; K128-Y234 HydrophobicContact CB-CE1 4.31Å; K128-Y234 WeakPolarHBondContact CB-OH 3.09Å; K128-Y234 HydrophobicContact CD-CE1 4.22Å; K128-Y234 HydrophobicContact CG-CE1 3.96Å; F131-Y234 HydrophobicContact CB-CE2 4.38Å; F131-Y234 AromaticContact CD2-CE2 4Å; F131-Y234 HydrophobicContact CD2-CE2 4Å; F131-Y234 HydrophobicContact CG-CE2 4.28Å; A230-Y234 PolarHBondContact O-N 2.66Å; Q231-Y234 PolarHBondContact O-N 3.43Å; P232-Y234 PolarHBondContact O-N 3.32Å; Y234-I237 PolarHBondContact O-N 3.03Å; Y234-L238 PolarHBondContact O-N 3.43Å |
| 235 | R | 97.2 | Very high | 96.6 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 177.4 | -70.2 | 175.8 | -174.9 | -164.9 | 2.4 | 111.9 | Q231 P232 S233 L238 Y239 | Q231-R235 VanDerWaalsContact NE2-NH2 3.14Å; Q231-R235 WeakPolarHBondContact O-CG 3.13Å; Q231-R235 PolarHBondContact O-N 3.45Å; P232-R235 PolarHBondContact O-N 3.42Å; S233-R235 VanDerWaalsContact C-N 3.3Å; S233-R235 PolarHBondContact O-N 3.12Å; R235-L238 PolarHBondContact O-N 3.45Å; R235-Y239 WeakPolarHBondContact O-CD2 3.38Å; R235-Y239 PolarHBondContact O-N 3.19Å |
| 236 | I | 97.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 63.8 Ų | 63.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.8 | -68.6 | 164.9 | 0 | 0 | 0 | 110.2 | P232 S233 L238 Y239 I240 | P232-I236 WeakPolarHBondContact O-CG1 3.35Å; P232-I236 PolarHBondContact O-N 2.64Å; S233-I236 PolarHBondContact O-N 3.24Å; I236-L238 VanDerWaalsContact C-N 3.32Å; I236-L238 PolarHBondContact O-N 2.91Å; I236-Y239 PolarHBondContact O-N 3.33Å; I236-I240 HydrophobicContact CG2-CD1 3.83Å; I236-I240 HydrophobicContact CG2-CG1 4.46Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 2.93Å |
| 237 | I | 97 | Very high | 96.8 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 177 | -68.1 | 164.6 | 0 | 0 | 0 | 110.5 | F124 S233 Y234 Y239 I240 L241 | F124-I237 HydrophobicContact CE1-CB 4.2Å; F124-I237 HydrophobicContact CE1-CG2 3.78Å; F124-I237 HydrophobicContact CE2-CG2 4.41Å; F124-I237 HydrophobicContact CZ-CB 4.13Å; F124-I237 HydrophobicContact CZ-CG2 3.66Å; S233-I237 WeakPolarHBondContact O-CB 3.44Å; S233-I237 VanDerWaalsContact O-CG1 3.25Å; S233-I237 WeakPolarHBondContact O-CG1 3.14Å; S233-I237 PolarHBondContact O-N 3.48Å; Y234-I237 PolarHBondContact O-N 3.03Å; I237-Y239 VanDerWaalsContact C-N 3.34Å; I237-Y239 PolarHBondContact O-N 3.06Å; I237-I240 PolarHBondContact O-N 2.88Å; I237-L241 HydrophobicContact CG2-CD1 4.12Å; I237-L241 HydrophobicContact CG2-CG 4.44Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.2Å |
| 238 | L | 97.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 177.4 | -179.9 | 62.7 | 0 | 0 | 0 | 112.3 | T121 F124 Y234 R235 I236 L241 I242 | T121-L238 HydrophobicContact CG2-CD1 4.06Å; F124-L238 HydrophobicContact CD1-CB 4.24Å; F124-L238 HydrophobicContact CD1-CD1 4.08Å; F124-L238 HydrophobicContact CE1-CB 4.07Å; Y234-L238 PolarHBondContact O-N 3.43Å; R235-L238 PolarHBondContact O-N 3.45Å; I236-L238 VanDerWaalsContact C-N 3.32Å; I236-L238 PolarHBondContact O-N 2.91Å; L238-L241 PolarHBondContact O-N 3.34Å; L238-I242 HydrophobicContact CD1-CD1 4.37Å; L238-I242 HydrophobicContact CG-CD1 4.16Å; L238-I242 WeakPolarHBondContact O-CG1 3.37Å; L238-I242 PolarHBondContact O-N 2.76Å |
| 239 | Y | 98 | Very high | 96.9 | Very high | 167 Ų | 167 | 67 Ų | 67 | 66% | 0.655 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.6 | -38.1 | 177.4 | -68.4 | -47.8 | 0 | 0 | 0 | 113 | R235 I236 I237 L241 I242 G243 | R235-Y239 WeakPolarHBondContact O-CD2 3.38Å; R235-Y239 PolarHBondContact O-N 3.19Å; I236-Y239 PolarHBondContact O-N 3.33Å; I237-Y239 VanDerWaalsContact C-N 3.34Å; I237-Y239 PolarHBondContact O-N 3.06Å; Y239-L241 VanDerWaalsContact C-N 3.31Å; Y239-L241 PolarHBondContact O-N 3.07Å; Y239-I242 HydrophobicContact CD1-CD1 4.41Å; Y239-I242 PolarHBondContact O-N 2.92Å; Y239-G243 PolarHBondContact O-N 2.68Å |
| 240 | I | 98.3 | Very high | 97 | Very high | 97 Ų | 97 | 67.9 Ų | 67.9 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.4 | -69 | 168.1 | 0 | 0 | 0 | 109.9 | I236 I237 I242 G243 L244 | I236-I240 HydrophobicContact CG2-CD1 3.83Å; I236-I240 HydrophobicContact CG2-CG1 4.46Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 2.93Å; I237-I240 PolarHBondContact O-N 2.88Å; I240-I242 PolarHBondContact O-N 2.95Å; I240-G243 PolarHBondContact O-N 3.48Å; I240-L244 HydrophobicContact CG2-CD1 4.05Å; I240-L244 HydrophobicContact CG2-CG 4.37Å; I240-L244 WeakPolarHBondContact O-CG 3.42Å; I240-L244 PolarHBondContact O-N 3.09Å |
| 241 | L | 98.3 | Very high | 97 | Very high | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.9 | -70.1 | 171.9 | 0 | 0 | 0 | 112.5 | L117 F120 T121 F124 I237 L238 Y239 G243 L244 L245 | L117-L241 HydrophobicContact CD2-CD2 4.41Å; F120-L241 HydrophobicContact CD1-CD1 3.83Å; F120-L241 HydrophobicContact CD1-CD2 3.79Å; F120-L241 HydrophobicContact CD1-CG 4.46Å; F120-L241 HydrophobicContact CE1-CD1 3.54Å; F120-L241 HydrophobicContact CE1-CD2 3.75Å; F120-L241 HydrophobicContact CE1-CG 4.29Å; T121-L241 HydrophobicContact CG2-CB 4.01Å; F124-L241 HydrophobicContact CB-CD1 4.32Å; F124-L241 HydrophobicContact CD1-CD1 3.83Å; F124-L241 HydrophobicContact CE1-CD1 4.38Å; F124-L241 HydrophobicContact CG-CD1 4.1Å; I237-L241 HydrophobicContact CG2-CD1 4.12Å; I237-L241 HydrophobicContact CG2-CG 4.44Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.2Å; L238-L241 PolarHBondContact O-N 3.34Å; Y239-L241 VanDerWaalsContact C-N 3.31Å; Y239-L241 PolarHBondContact O-N 3.07Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.49Å; L241-L244 PolarHBondContact O-N 2.75Å; L241-L245 WeakPolarHBondContact O-CB 3.44Å; L241-L245 PolarHBondContact O-N 2.03Å |
| 242 | I | 98.2 | Very high | 97 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.1 | -66.2 | 165.7 | 0 | 0 | 0 | 110.7 | T121 L238 Y239 I240 L245 L246 | T121-I242 HydrophobicContact CG2-CG1 3.95Å; L238-I242 HydrophobicContact CD1-CD1 4.37Å; L238-I242 HydrophobicContact CG-CD1 4.16Å; L238-I242 WeakPolarHBondContact O-CG1 3.37Å; L238-I242 PolarHBondContact O-N 2.76Å; Y239-I242 HydrophobicContact CD1-CD1 4.41Å; Y239-I242 PolarHBondContact O-N 2.92Å; I240-I242 PolarHBondContact O-N 2.95Å; I242-L245 WeakPolarHBondContact O-CB 3.4Å; I242-L245 PolarHBondContact O-N 2.98Å; I242-L246 HydrophobicContact CG2-CD1 4.35Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 2.77Å |
| 243 | G | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y239 I240 L241 L245 L246 L247 | Y239-G243 PolarHBondContact O-N 2.68Å; I240-G243 PolarHBondContact O-N 3.48Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.49Å; G243-L245 VanDerWaalsContact C-N 3.3Å; G243-L245 PolarHBondContact O-N 3.07Å; G243-L246 PolarHBondContact O-N 2.86Å; G243-L247 VanDerWaalsContact O-CB 3.32Å; G243-L247 WeakPolarHBondContact O-CB 3.47Å; G243-L247 PolarHBondContact O-N 3.39Å |
| 244 | L | 97.4 | Very high | 97 | Very high | 73 Ų | 73 | 63 Ų | 63 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 175.5 | -69.9 | 174.3 | 0 | 0 | 0 | 112 | L117 I240 L241 L247 T248 | L117-L244 HydrophobicContact CD1-CB 4.22Å; I240-L244 HydrophobicContact CG2-CD1 4.05Å; I240-L244 HydrophobicContact CG2-CG 4.37Å; I240-L244 WeakPolarHBondContact O-CG 3.42Å; I240-L244 PolarHBondContact O-N 3.09Å; L241-L244 PolarHBondContact O-N 2.75Å; L244-L247 PolarHBondContact O-N 3.3Å; L244-T248 WeakPolarHBondContact O-CB 2.93Å; L244-T248 VanDerWaalsContact O-CG2 3.27Å; L244-T248 WeakPolarHBondContact O-CG2 3.45Å; L244-T248 PolarHBondContact O-N 3.35Å; L244-T248 PolarHBondContact O-OG1 3.19Å |
| 245 | L | 97.8 | Very high | 97 | Very high | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.8 | -172.5 | 135.4 | 0 | 0 | 0 | 112.1 | F114 L118 L241 I242 G243 L247 T248 F249 | F114-L245 HydrophobicContact CD2-CG 4.03Å; F114-L245 HydrophobicContact CE2-CD1 4.3Å; F114-L245 HydrophobicContact CE2-CD2 3.74Å; F114-L245 HydrophobicContact CE2-CG 3.66Å; F114-L245 HydrophobicContact CZ-CD2 4.5Å; L118-L245 HydrophobicContact CB-CD1 3.75Å; L118-L245 HydrophobicContact CD1-CD1 3.68Å; L118-L245 HydrophobicContact CG-CD1 4.33Å; L241-L245 WeakPolarHBondContact O-CB 3.44Å; L241-L245 PolarHBondContact O-N 2.03Å; I242-L245 WeakPolarHBondContact O-CB 3.4Å; I242-L245 PolarHBondContact O-N 2.98Å; G243-L245 VanDerWaalsContact C-N 3.3Å; G243-L245 PolarHBondContact O-N 3.07Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-T248 WeakPolarHBondContact CA-OG1 2.98Å; L245-T248 PolarHBondContact O-OG1 2.9Å; L245-F249 VanDerWaalsContact O-CB 3.3Å; L245-F249 WeakPolarHBondContact O-CB 3.27Å; L245-F249 PolarHBondContact O-N 3.42Å |
| 246 | L | 97.7 | Very high | 96.8 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 53% | 0.534 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 175.7 | -68.3 | 173.7 | 0 | 0 | 0 | 111.9 | I242 G243 T250 | I242-L246 HydrophobicContact CG2-CD1 4.35Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 2.77Å; G243-L246 PolarHBondContact O-N 2.86Å; L246-T250 WeakPolarHBondContact O-CB 3.47Å; L246-T250 PolarHBondContact O-N 2.04Å; L246-T250 PolarHBondContact O-OG1 3.33Å |
| 247 | L | 96.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 179.2 | -172.6 | 67.2 | 0 | 0 | 0 | 111.5 | F13 G243 L244 L245 F249 T250 F251 | F13-L247 HydrophobicContact CE2-CD2 3.83Å; F13-L247 HydrophobicContact CZ-CD2 3.71Å; F13-L247 HydrophobicContact CZ-CG 4.37Å; G243-L247 VanDerWaalsContact O-CB 3.32Å; G243-L247 WeakPolarHBondContact O-CB 3.47Å; G243-L247 PolarHBondContact O-N 3.39Å; L244-L247 PolarHBondContact O-N 3.3Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L247-F249 PolarHBondContact O-N 3.22Å; L247-T250 PolarHBondContact O-N 2.82Å; L247-F251 HydrophobicContact CD1-CD2 4.03Å; L247-F251 HydrophobicContact CD1-CE2 3.36Å; L247-F251 HydrophobicContact CD1-CZ 4.11Å; L247-F251 HydrophobicContact CD2-CE2 4.27Å; L247-F251 HydrophobicContact CG-CD2 3.88Å; L247-F251 HydrophobicContact CG-CE2 3.56Å; L247-F251 WeakPolarHBondContact O-CD2 3.35Å; L247-F251 PolarHBondContact O-N 3.13Å |
| 248 | T | 96.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 178.9 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | I113 L117 L244 L245 T250 F251 A252 | I113-T248 HydrophobicContact CG2-CG2 4.17Å; L117-T248 HydrophobicContact CD1-CG2 4.09Å; L244-T248 WeakPolarHBondContact O-CB 2.93Å; L244-T248 VanDerWaalsContact O-CG2 3.27Å; L244-T248 WeakPolarHBondContact O-CG2 3.45Å; L244-T248 PolarHBondContact O-N 3.35Å; L244-T248 PolarHBondContact O-OG1 3.19Å; L245-T248 WeakPolarHBondContact CA-OG1 2.98Å; L245-T248 PolarHBondContact O-OG1 2.9Å; T248-T250 PolarHBondContact O-N 3.23Å; T248-F251 PolarHBondContact O-N 3.35Å; T248-A252 WeakPolarHBondContact O-CB 3.18Å; T248-A252 PolarHBondContact O-N 3.04Å |
| 249 | F | 96.7 | Very high | 96.3 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 45% | 0.452 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 173.4 | -179 | -103.2 | 0 | 0 | 0 | 112 | F114 L245 L247 F251 A252 V253 | F114-F249 HydrophobicContact CD2-CB 3.89Å; F114-F249 HydrophobicContact CD2-CD2 4.46Å; F114-F249 HydrophobicContact CE1-CD2 4.44Å; F114-F249 HydrophobicContact CE2-CB 3.71Å; F114-F249 AromaticContact CE2-CD2 3.93Å; F114-F249 HydrophobicContact CE2-CD2 3.93Å; F114-F249 HydrophobicContact CE2-CG 4.2Å; F114-F249 AromaticContact CZ-CD2 3.92Å; F114-F249 HydrophobicContact CZ-CD2 3.92Å; L245-F249 VanDerWaalsContact O-CB 3.3Å; L245-F249 WeakPolarHBondContact O-CB 3.27Å; L245-F249 PolarHBondContact O-N 3.42Å; L247-F249 PolarHBondContact O-N 3.22Å; F249-F251 PolarHBondContact O-N 2.87Å; F249-A252 PolarHBondContact O-N 2.76Å; F249-V253 HydrophobicContact CD1-CG2 4.33Å; F249-V253 HydrophobicContact CE1-CG2 3.92Å; F249-V253 HydrophobicContact CE2-CG2 4.18Å; F249-V253 HydrophobicContact CZ-CG2 3.84Å; F249-V253 WeakPolarHBondContact O-CG2 3.4Å; F249-V253 PolarHBondContact O-N 2.91Å |
| 250 | T | 96 | Very high | 96 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | -180 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L246 L247 T248 V253 I254 | L246-T250 WeakPolarHBondContact O-CB 3.47Å; L246-T250 PolarHBondContact O-N 2.04Å; L246-T250 PolarHBondContact O-OG1 3.33Å; L247-T250 PolarHBondContact O-N 2.82Å; T248-T250 PolarHBondContact O-N 3.23Å; T250-V253 PolarHBondContact O-N 3.02Å; T250-I254 HydrophobicContact CG2-CD1 3.96Å; T250-I254 WeakPolarHBondContact O-CB 3.46Å; T250-I254 VanDerWaalsContact O-CG1 3.3Å; T250-I254 WeakPolarHBondContact O-CG1 3.43Å; T250-I254 PolarHBondContact O-N 2.78Å |
| 251 | F | 95.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 177.3 | -75.2 | -57.9 | 0 | 0 | 0 | 113.4 | I9 F13 L110 L247 T248 F249 I254 S255 | I9-F251 HydrophobicContact CG2-CE1 4Å; F13-F251 HydrophobicContact CB-CE1 3.91Å; F13-F251 HydrophobicContact CB-CE2 4.31Å; F13-F251 HydrophobicContact CB-CZ 3.48Å; F13-F251 VanDerWaalsContact CB-CZ 3.48Å; F13-F251 HydrophobicContact CD1-CD2 4Å; F13-F251 HydrophobicContact CD1-CE1 4.04Å; F13-F251 AromaticContact CD1-CE2 3.31Å; F13-F251 HydrophobicContact CD1-CE2 3.31Å; F13-F251 AromaticContact CD1-CZ 3.37Å; F13-F251 HydrophobicContact CD1-CZ 3.37Å; F13-F251 AromaticContact CD2-CE2 3.76Å; F13-F251 HydrophobicContact CD2-CE2 3.76Å; F13-F251 AromaticContact CD2-CZ 3.63Å; F13-F251 HydrophobicContact CD2-CZ 3.63Å; F13-F251 AromaticContact CE1-CD2 3.87Å; F13-F251 HydrophobicContact CE1-CD2 3.87Å; F13-F251 AromaticContact CE1-CE2 3.35Å; F13-F251 HydrophobicContact CE1-CE2 3.35Å; F13-F251 AromaticContact CE1-CZ 3.93Å; F13-F251 HydrophobicContact CE1-CZ 3.93Å; F13-F251 AromaticContact CE2-CE2 3.82Å; F13-F251 HydrophobicContact CE2-CE2 3.82Å; F13-F251 HydrophobicContact CE2-CZ 4.18Å; F13-F251 HydrophobicContact CG-CE1 4Å; F13-F251 AromaticContact CG-CE2 3.51Å; F13-F251 HydrophobicContact CG-CE2 3.51Å; F13-F251 AromaticContact CG-CZ 3.18Å; F13-F251 HydrophobicContact CG-CZ 3.18Å; F13-F251 HydrophobicContact CZ-CD2 4.37Å; F13-F251 AromaticContact CZ-CE2 3.63Å; F13-F251 HydrophobicContact CZ-CE2 3.63Å; F13-F251 HydrophobicContact CZ-CZ 4.32Å; L110-F251 HydrophobicContact CD1-CB 3.68Å; L247-F251 HydrophobicContact CD1-CD2 4.03Å; L247-F251 HydrophobicContact CD1-CE2 3.36Å; L247-F251 HydrophobicContact CD1-CZ 4.11Å; L247-F251 HydrophobicContact CD2-CE2 4.27Å; L247-F251 HydrophobicContact CG-CD2 3.88Å; L247-F251 HydrophobicContact CG-CE2 3.56Å; L247-F251 WeakPolarHBondContact O-CD2 3.35Å; L247-F251 PolarHBondContact O-N 3.13Å; T248-F251 PolarHBondContact O-N 3.35Å; F249-F251 PolarHBondContact O-N 2.87Å; F251-I254 PolarHBondContact O-N 2.71Å; F251-S255 WeakPolarHBondContact O-CB 3.45Å; F251-S255 PolarHBondContact O-N 2.79Å; F251-S255 PolarHBondContact O-OG 2.99Å |
| 252 | A | 95.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L110 L111 T248 F249 I254 S255 I256 | L110-A252 HydrophobicContact CB-CB 4.14Å; L111-A252 HydrophobicContact CD2-CB 4.19Å; L111-A252 HydrophobicContact CG-CB 4.47Å; T248-A252 WeakPolarHBondContact O-CB 3.18Å; T248-A252 PolarHBondContact O-N 3.04Å; F249-A252 PolarHBondContact O-N 2.76Å; A252-I254 PolarHBondContact O-N 2.76Å; A252-S255 PolarHBondContact O-N 2.93Å; A252-I256 VanDerWaalsContact O-CG1 3.25Å; A252-I256 WeakPolarHBondContact O-CG1 3.46Å; A252-I256 PolarHBondContact O-N 3.16Å |
| 253 | V | 95.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | F249 T250 S255 I256 Y257 | F249-V253 HydrophobicContact CD1-CG2 4.33Å; F249-V253 HydrophobicContact CE1-CG2 3.92Å; F249-V253 HydrophobicContact CE2-CG2 4.18Å; F249-V253 HydrophobicContact CZ-CG2 3.84Å; F249-V253 WeakPolarHBondContact O-CG2 3.4Å; F249-V253 PolarHBondContact O-N 2.91Å; T250-V253 PolarHBondContact O-N 3.02Å; V253-S255 VanDerWaalsContact C-N 3.32Å; V253-S255 PolarHBondContact O-N 3.07Å; V253-I256 PolarHBondContact O-N 3.06Å; V253-Y257 WeakPolarHBondContact O-CB 3Å; V253-Y257 PolarHBondContact O-N 3.09Å |
| 254 | I | 95.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 54 Ų | 54 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 175.8 | -72.5 | 169.6 | 0 | 0 | 0 | 110.9 | L10 T250 F251 A252 Y257 L258 | L10-I254 HydrophobicContact CD1-CG2 4.33Å; T250-I254 HydrophobicContact CG2-CD1 3.96Å; T250-I254 WeakPolarHBondContact O-CB 3.46Å; T250-I254 VanDerWaalsContact O-CG1 3.3Å; T250-I254 WeakPolarHBondContact O-CG1 3.43Å; T250-I254 PolarHBondContact O-N 2.78Å; F251-I254 PolarHBondContact O-N 2.71Å; A252-I254 PolarHBondContact O-N 2.76Å; I254-Y257 WeakPolarHBondContact O-CB 3.34Å; I254-Y257 PolarHBondContact O-N 3.47Å; I254-L258 HydrophobicContact CG2-CD1 4.11Å; I254-L258 HydrophobicContact CG2-CG 4.5Å; I254-L258 WeakPolarHBondContact O-CG 3.46Å; I254-L258 PolarHBondContact O-N 3.31Å |
| 255 | S | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | -179.1 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | L10 Y106 F251 A252 V253 L258 L259 | L10-S255 WeakPolarHBondContact CD1-OG 3.4Å; Y106-S255 WeakPolarHBondContact CD1-OG 3.33Å; Y106-S255 VanDerWaalsContact CE1-OG 3.26Å; Y106-S255 WeakPolarHBondContact CE1-OG 3.48Å; F251-S255 WeakPolarHBondContact O-CB 3.45Å; F251-S255 PolarHBondContact O-N 2.79Å; F251-S255 PolarHBondContact O-OG 2.99Å; A252-S255 PolarHBondContact O-N 2.93Å; V253-S255 VanDerWaalsContact C-N 3.32Å; V253-S255 PolarHBondContact O-N 3.07Å; S255-L258 PolarHBondContact O-N 3.45Å; S255-L259 VanDerWaalsContact O-CB 3.32Å; S255-L259 WeakPolarHBondContact O-CB 3.33Å; S255-L259 PolarHBondContact O-N 3.26Å |
| 256 | I | 94.5 | Very high | 93.1 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.5 | -66 | 164.3 | 0 | 0 | 0 | 110.5 | A107 L111 A252 V253 L258 L259 T260 | A107-I256 HydrophobicContact CB-CG1 4.36Å; L111-I256 HydrophobicContact CD1-CD1 4.44Å; A252-I256 VanDerWaalsContact O-CG1 3.25Å; A252-I256 WeakPolarHBondContact O-CG1 3.46Å; A252-I256 PolarHBondContact O-N 3.16Å; V253-I256 PolarHBondContact O-N 3.06Å; I256-L258 PolarHBondContact O-N 3.44Å; I256-L259 PolarHBondContact O-N 3.34Å; I256-T260 HydrophobicContact CG2-CG2 4.48Å; I256-T260 WeakPolarHBondContact O-CG2 3.47Å; I256-T260 PolarHBondContact O-N 3.48Å; I256-T260 PolarHBondContact O-OG1 3.12Å |
| 257 | Y | 94.8 | Very high | 92.1 | Very high | 64 Ų | 64 | 59 Ų | 59 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 174.5 | 168.1 | -96.5 | 0 | 0 | 0 | 111.8 | V253 I254 L259 T260 R261 | V253-Y257 WeakPolarHBondContact O-CB 3Å; V253-Y257 PolarHBondContact O-N 3.09Å; I254-Y257 WeakPolarHBondContact O-CB 3.34Å; I254-Y257 PolarHBondContact O-N 3.47Å; Y257-L259 VanDerWaalsContact C-N 3.33Å; Y257-L259 PolarHBondContact O-N 3.36Å; Y257-T260 PolarHBondContact O-N 3.05Å; Y257-T260 PolarHBondContact O-OG1 3.34Å; Y257-R261 HydrophobicContact CE1-CG 4.26Å; Y257-R261 HydrophobicContact CE2-CG 4.19Å; Y257-R261 WeakPolarHBondContact O-CG 3.4Å; Y257-R261 PolarHBondContact O-N 2.03Å; Y257-R261 VanDerWaalsContact O-N 3.11Å |
| 258 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.6 | -71.6 | 176 | 0 | 0 | 0 | 111.6 | K3 L10 V95 L103 I254 S255 I256 R261 Y262 | K3-L258 HydrophobicContact CG-CD2 3.81Å; L10-L258 HydrophobicContact CD1-CD1 4.33Å; V95-L258 HydrophobicContact CG2-CD1 4.05Å; L103-L258 HydrophobicContact CD2-CB 3.71Å; I254-L258 HydrophobicContact CG2-CD1 4.11Å; I254-L258 HydrophobicContact CG2-CG 4.5Å; I254-L258 WeakPolarHBondContact O-CG 3.46Å; I254-L258 PolarHBondContact O-N 3.31Å; S255-L258 PolarHBondContact O-N 3.45Å; I256-L258 PolarHBondContact O-N 3.44Å; L258-R261 PolarHBondContact O-N 3.43Å; L258-Y262 PolarHBondContact O-N 3.2Å |
| 259 | L | 93.5 | Very high | 90.4 | Very high | 47 Ų | 47 | 70.1 Ų | 70.1 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.6 | -173.7 | 66 | 0 | 0 | 0 | 112.1 | K100 L103 S255 I256 Y257 R261 Y262 S263 | K100-L259 HydrophobicContact CB-CD1 3.81Å; K100-L259 HydrophobicContact CG-CD1 4.2Å; K100-L259 WeakPolarHBondContact O-CD1 3.32Å; L103-L259 HydrophobicContact CD2-CB 4.17Å; S255-L259 VanDerWaalsContact O-CB 3.32Å; S255-L259 WeakPolarHBondContact O-CB 3.33Å; S255-L259 PolarHBondContact O-N 3.26Å; I256-L259 PolarHBondContact O-N 3.34Å; Y257-L259 VanDerWaalsContact C-N 3.33Å; Y257-L259 PolarHBondContact O-N 3.36Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 2.87Å; L259-Y262 PolarHBondContact O-N 3.27Å; L259-S263 PolarHBondContact O-N 3.49Å |
| 260 | T | 91.2 | Very high | 89 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | I256 Y257 S263 R264 | I256-T260 HydrophobicContact CG2-CG2 4.48Å; I256-T260 WeakPolarHBondContact O-CG2 3.47Å; I256-T260 PolarHBondContact O-N 3.48Å; I256-T260 PolarHBondContact O-OG1 3.12Å; Y257-T260 PolarHBondContact O-N 3.05Å; Y257-T260 PolarHBondContact O-OG1 3.34Å; T260-S263 PolarHBondContact O-N 2.97Å; T260-R264 WeakPolarHBondContact O-CG 3.28Å; T260-R264 PolarHBondContact O-N 3.32Å |
| 261 | R | 91.2 | Very high | 88.7 | Confident | 108 Ų | 108 | 74.5 Ų | 74.5 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 175.5 | -73 | -68.8 | -176.2 | 174.9 | -1.7 | 112.1 | Y257 L258 L259 S263 R264 E265 | Y257-R261 HydrophobicContact CE1-CG 4.26Å; Y257-R261 HydrophobicContact CE2-CG 4.19Å; Y257-R261 WeakPolarHBondContact O-CG 3.4Å; Y257-R261 PolarHBondContact O-N 2.03Å; Y257-R261 VanDerWaalsContact O-N 3.11Å; L258-R261 PolarHBondContact O-N 3.43Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 2.87Å; R261-S263 VanDerWaalsContact C-N 3.27Å; R261-S263 PolarHBondContact O-N 2.76Å; R261-R264 PolarHBondContact O-N 2.75Å; R261-E265 PolarHBondContact O-N 3.39Å |
| 262 | Y | 89.5 | Confident | 88.3 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -33.8 | 175.5 | -68.1 | -27.3 | 0 | 0 | 0 | 112.8 | V95 K98 L103 L258 L259 K266 | V95-Y262 PolarHBondContact O-OH 2.85Å; K98-Y262 HydrophobicContact CB-CD1 4.4Å; K98-Y262 HydrophobicContact CB-CD2 4.5Å; K98-Y262 HydrophobicContact CB-CE1 4.05Å; K98-Y262 HydrophobicContact CB-CE2 4.18Å; K98-Y262 HydrophobicContact CD-CE1 4.09Å; K98-Y262 HydrophobicContact CG-CE1 3.8Å; K98-Y262 HydrophobicContact CG-CE2 4.47Å; L103-Y262 HydrophobicContact CD2-CD2 3.97Å; L103-Y262 HydrophobicContact CD2-CE2 3.93Å; L258-Y262 PolarHBondContact O-N 3.2Å; L259-Y262 PolarHBondContact O-N 3.27Å; Y262-K266 PolarHBondContact O-N 3.14Å |
| 263 | S | 88.6 | Confident | 87.9 | Confident | 45 Ų | 45 | 82.1 Ų | 82.1 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.2 | -159.3 | 0 | 0 | 0 | 0 | 112 | L259 T260 R261 K266 M267 | L259-S263 PolarHBondContact O-N 3.49Å; T260-S263 PolarHBondContact O-N 2.97Å; R261-S263 VanDerWaalsContact C-N 3.27Å; R261-S263 PolarHBondContact O-N 2.76Å; S263-K266 PolarHBondContact O-N 3.41Å; S263-M267 PolarHBondContact O-N 3.15Å |
| 264 | R | 88.7 | Confident | 87.5 | Confident | 150 Ų | 150 | 82.6 Ų | 82.6 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 176.7 | -71.7 | -178.3 | -174.4 | -170.9 | 2.5 | 112.6 | T260 R261 K266 M267 Q268 | T260-R264 WeakPolarHBondContact O-CG 3.28Å; T260-R264 PolarHBondContact O-N 3.32Å; R261-R264 PolarHBondContact O-N 2.75Å; R264-K266 VanDerWaalsContact C-N 3.29Å; R264-K266 PolarHBondContact O-N 3.19Å; R264-M267 HydrophobicContact CG-CE 4.21Å; R264-M267 PolarHBondContact O-N 2.95Å; R264-M267 VanDerWaalsContact O-N 3.14Å; R264-Q268 PolarHBondContact O-N 3.27Å; R264-Q268 VanDerWaalsContact O-N 3.11Å |
| 265 | E | 86.6 | Confident | 87 | Confident | 70 Ų | 70 | 86.3 Ų | 86.3 | 33% | 0.327 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 177.4 | -73.9 | 173.1 | 179.9 | 0 | 0 | 111.9 | K3 R261 M267 Q268 L269 | K3-E265 IonicContact NZ-OE1 2.68Å; K3-E265 PolarHBondContact NZ-OE1 2.64Å; K3-E265 IonicContact NZ-OE2 2.92Å; K3-E265 PolarHBondContact NZ-OE2 2.97Å; R261-E265 PolarHBondContact O-N 3.39Å; E265-M267 VanDerWaalsContact C-N 3.34Å; E265-M267 PolarHBondContact O-N 2.72Å; E265-Q268 PolarHBondContact O-N 3.3Å; E265-L269 WeakPolarHBondContact O-CG 3.25Å; E265-L269 PolarHBondContact O-N 2.99Å |
| 266 | K | 82 | Confident | 86.4 | Confident | 120 Ų | 120 | 92 Ų | 92 | 52% | 0.522 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 176.4 | -169 | 177.9 | -178.3 | -179.3 | 0 | 112.5 | Y262 S263 R264 L269 | Y262-K266 PolarHBondContact O-N 3.14Å; S263-K266 PolarHBondContact O-N 3.41Å; R264-K266 VanDerWaalsContact C-N 3.29Å; R264-K266 PolarHBondContact O-N 3.19Å; K266-L269 PolarHBondContact O-N 2.97Å |
| 267 | M | 77.7 | Confident | 85.8 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.6 | -29.4 | 177.5 | -71.4 | -174.8 | -65.9 | 0 | 0 | 112.9 | S263 R264 E265 L269 | S263-M267 PolarHBondContact O-N 3.15Å; R264-M267 HydrophobicContact CG-CE 4.21Å; R264-M267 PolarHBondContact O-N 2.95Å; R264-M267 VanDerWaalsContact O-N 3.14Å; E265-M267 VanDerWaalsContact C-N 3.34Å; E265-M267 PolarHBondContact O-N 2.72Å; M267-L269 VanDerWaalsContact C-N 3.26Å; M267-L269 PolarHBondContact O-N 3.31Å |
| 268 | Q | 79.8 | Confident | 85.2 | Confident | 162 Ų | 162 | 95.6 Ų | 95.6 | 76% | 0.757 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.4 | -13.5 | 176.7 | -68.7 | -179.3 | -50.4 | 0 | 0 | 113.5 | R264 E265 | R264-Q268 PolarHBondContact O-N 3.27Å; R264-Q268 VanDerWaalsContact O-N 3.11Å; E265-Q268 PolarHBondContact O-N 3.3Å |
| 269 | L | 75.1 | Confident | 84.4 | Confident | 154 Ų | 154 | 103.6 Ų | 103.6 | 81% | 0.806 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -9 | 177 | -70.4 | 168.4 | 0 | 0 | 0 | 113.1 | E265 K266 M267 | E265-L269 WeakPolarHBondContact O-CG 3.25Å; E265-L269 PolarHBondContact O-N 2.99Å; K266-L269 PolarHBondContact O-N 2.97Å; M267-L269 VanDerWaalsContact C-N 3.26Å; M267-L269 PolarHBondContact O-N 3.31Å |
| 270 | L | 69.3 | Low | 83.6 | Confident | 193 Ų | 193 | 108.7 Ų | 108.7 | 100% | 1.01 | 52% | 0.521 | S | S | * | . | trans | -95.4 | 0 | 175.1 | -84.8 | 152.3 | 0 | 0 | 0 | 109.3 |
Retrieved 270 of 270 residues in 76.7 ms
(Link to these results)