| 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 | 46.3 | Very low | 72.5 | Confident | 225 Ų | 225 | 92.8 Ų | 92.8 | 100% | 1.108 | 50% | 0.497 | S | S | * | . | 0 | -23.4 | 0 | -70.7 | -159.3 | -74.8 | 0 | 0 | 114.2 | |||||
| 2 | A | 55.6 | Low | 72.8 | Confident | 58 Ų | 58 | 93.4 Ų | 93.4 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | trans | -77.1 | -32.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L5 L6 | A2-L5 PolarHBondContact O-N 3.32Å; A2-L6 WeakPolarHBondContact O-CG 3.47Å; A2-L6 PolarHBondContact O-N 3.05Å | ||
| 3 | A | 63.2 | Low | 73.1 | Confident | 52 Ų | 52 | 94.5 Ų | 94.5 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L5 L6 E7 | A3-L5 VanDerWaalsContact C-N 3.27Å; A3-L5 PolarHBondContact O-N 2.92Å; A3-L6 PolarHBondContact O-N 3.11Å; A3-E7 WeakPolarHBondContact O-CG 3.43Å; A3-E7 PolarHBondContact O-N 3.08Å |
| 4 | P | 73.1 | Confident | 73.5 | Confident | 70 Ų | 70 | 93 Ų | 93 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -24.4 | -179.9 | -19.8 | 32.7 | 0 | 0 | 0 | 114.1 | K8 | P4-K8 VanDerWaalsContact O-CG 3.26Å; P4-K8 WeakPolarHBondContact O-CG 3.41Å; P4-K8 PolarHBondContact O-N 3.16Å |
| 5 | L | 79.1 | Confident | 74.1 | Confident | 110 Ų | 110 | 89.7 Ų | 89.7 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77.5 | -41 | 175.9 | 179.4 | 66.6 | 0 | 0 | 0 | 110.8 | A2 A3 K8 L9 | A2-L5 PolarHBondContact O-N 3.32Å; A3-L5 VanDerWaalsContact C-N 3.27Å; A3-L5 PolarHBondContact O-N 2.92Å; L5-K8 PolarHBondContact O-N 3.25Å; L5-L9 HydrophobicContact CG-CD1 4.24Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 3.39Å |
| 6 | L | 81.8 | Confident | 74.8 | Confident | 14 Ų | 14 | 89.7 Ų | 89.7 | 7% | 0.073 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 178.3 | -70.8 | 171.3 | 0 | 0 | 0 | 111.6 | A2 A3 L9 S10 E17 I20 R21 L24 F62 | A2-L6 WeakPolarHBondContact O-CG 3.47Å; A2-L6 PolarHBondContact O-N 3.05Å; A3-L6 PolarHBondContact O-N 3.11Å; L6-L9 PolarHBondContact O-N 3.32Å; L6-S10 VanDerWaalsContact O-CB 3.31Å; L6-S10 WeakPolarHBondContact O-CB 3.46Å; L6-S10 PolarHBondContact O-N 2.69Å; L6-E17 HydrophobicContact CB-CG 4.03Å; L6-I20 HydrophobicContact CD2-CG2 4.12Å; L6-R21 HydrophobicContact CD1-CG 3.97Å; L6-R21 HydrophobicContact CD2-CG 4.27Å; L6-L24 HydrophobicContact CD2-CD1 3.91Å; L6-F62 HydrophobicContact CD1-CE2 4.35Å; L6-F62 HydrophobicContact CD1-CZ 4.24Å |
| 7 | E | 79.1 | Confident | 75.7 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 172.9 | -74.1 | 165.8 | -170.6 | 0 | 0 | 111.2 | A3 L9 S10 E11 | A3-E7 WeakPolarHBondContact O-CG 3.43Å; A3-E7 PolarHBondContact O-N 3.08Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.32Å; E7-S10 WeakPolarHBondContact O-CA 3.27Å; E7-S10 VanDerWaalsContact O-CB 3.31Å; E7-S10 WeakPolarHBondContact O-CB 3.35Å; E7-S10 PolarHBondContact O-N 2.93Å; E7-S10 VanDerWaalsContact O-N 3.08Å; E7-E11 WeakPolarHBondContact O-CG 3.44Å; E7-E11 PolarHBondContact O-N 3.45Å |
| 8 | K | 80 | Confident | 76.5 | Confident | 144 Ų | 144 | 85.9 Ų | 85.9 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.1 | -39.5 | 176.7 | -75.1 | 177.2 | -178.3 | -173.5 | 0 | 113.5 | P4 L5 S10 S12 | P4-K8 VanDerWaalsContact O-CG 3.26Å; P4-K8 WeakPolarHBondContact O-CG 3.41Å; P4-K8 PolarHBondContact O-N 3.16Å; L5-K8 PolarHBondContact O-N 3.25Å; K8-S10 VanDerWaalsContact C-N 3.35Å; K8-S12 VanDerWaalsContact O-CB 3.3Å; K8-S12 WeakPolarHBondContact O-CB 3.37Å; K8-S12 PolarHBondContact O-N 2.85Å |
| 9 | L | 78.4 | Confident | 77.2 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 175.5 | -74.1 | 169.6 | 0 | 0 | 0 | 111.5 | L5 L6 E7 L13 I20 | L5-L9 HydrophobicContact CG-CD1 4.24Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.32Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.32Å; L9-L13 VanDerWaalsContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.11Å; L9-I20 VanDerWaalsContact C-CD1 3.47Å; L9-I20 HydrophobicContact CB-CD1 4.16Å; L9-I20 HydrophobicContact CB-CG2 4.49Å; L9-I20 WeakPolarHBondContact O-CD1 3.44Å |
| 10 | S | 79.9 | Confident | 77.9 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 18% | 0.175 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 175.8 | -174 | 0 | 0 | 0 | 0 | 111.9 | L6 E7 K8 L13 G14 S15 E17 I20 | L6-S10 VanDerWaalsContact O-CB 3.31Å; L6-S10 WeakPolarHBondContact O-CB 3.46Å; L6-S10 PolarHBondContact O-N 2.69Å; E7-S10 WeakPolarHBondContact O-CA 3.27Å; E7-S10 VanDerWaalsContact O-CB 3.31Å; E7-S10 WeakPolarHBondContact O-CB 3.35Å; E7-S10 PolarHBondContact O-N 2.93Å; E7-S10 VanDerWaalsContact O-N 3.08Å; K8-S10 VanDerWaalsContact C-N 3.35Å; S10-L13 PolarHBondContact O-N 3.07Å; S10-G14 PolarHBondContact O-N 2.92Å; S10-S15 WeakPolarHBondContact CA-O 3.33Å; S10-S15 WeakPolarHBondContact CB-O 3.41Å; S10-S15 PolarHBondContact O-N 3.22Å; S10-S15 VanDerWaalsContact O-N 3.17Å; S10-S15 PolarHBondContact OG-O 2.65Å; S10-E17 PolarHBondContact OG-N 3.48Å; S10-I20 VanDerWaalsContact N-CD1 3.3Å |
| 11 | E | 80.8 | Confident | 78.6 | Confident | 158 Ų | 158 | 78.1 Ų | 78.1 | 74% | 0.738 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 176.4 | -69 | 174.1 | 175.6 | 0 | 0 | 111.5 | E7 L13 G14 | E7-E11 WeakPolarHBondContact O-CG 3.44Å; E7-E11 PolarHBondContact O-N 3.45Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.38Å; E11-G14 PolarHBondContact O-N 2.98Å |
| 12 | S | 76 | Confident | 80.9 | Confident | 100 Ų | 100 | 68 Ų | 68 | 70% | 0.699 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.8 | -30 | -178.4 | -178 | 0 | 0 | 0 | 0 | 113.8 | K8 | K8-S12 VanDerWaalsContact O-CB 3.3Å; K8-S12 WeakPolarHBondContact O-CB 3.37Å; K8-S12 PolarHBondContact O-N 2.85Å |
| 13 | L | 77.8 | Confident | 82.7 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 56% | 0.56 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -99 | -1.9 | -178.1 | -65.6 | 173.6 | 0 | 0 | 0 | 113 | L9 S10 E11 S15 I20 | L9-L13 VanDerWaalsContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.11Å; S10-L13 PolarHBondContact O-N 3.07Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.38Å; L13-S15 PolarHBondContact O-N 3.45Å; L13-S15 VanDerWaalsContact O-N 3.14Å; L13-S15 PolarHBondContact O-OG 2.76Å; L13-S15 VanDerWaalsContact O-OG 3.07Å; L13-I20 HydrophobicContact CD1-CD1 4.06Å; L13-I20 HydrophobicContact CD1-CG1 4.42Å |
| 14 | G | 78.3 | Confident | 84.2 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 76% | 0.763 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 31.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | S10 E11 | S10-G14 PolarHBondContact O-N 2.92Å; E11-G14 PolarHBondContact O-N 2.98Å |
| 15 | S | 82.2 | Confident | 85.3 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | trans | -125.2 | 136.9 | -170.7 | -69 | 0 | 0 | 0 | 0 | 110.2 | S10 L13 | S10-S15 WeakPolarHBondContact CA-O 3.33Å; S10-S15 WeakPolarHBondContact CB-O 3.41Å; S10-S15 PolarHBondContact O-N 3.22Å; S10-S15 VanDerWaalsContact O-N 3.17Å; S10-S15 PolarHBondContact OG-O 2.65Å; L13-S15 PolarHBondContact O-N 3.45Å; L13-S15 VanDerWaalsContact O-N 3.14Å; L13-S15 PolarHBondContact O-OG 2.76Å; L13-S15 VanDerWaalsContact O-OG 3.07Å | ||
| 16 | P | 85.9 | Confident | 86.2 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | trans | -57.2 | 140.5 | -179.8 | -24.6 | 33.2 | 0 | 0 | 0 | 112.8 | P18 A19 I20 | P16-P18 VanDerWaalsContact C-CD 3.43Å; P16-P18 VanDerWaalsContact C-N 3.31Å; P16-A19 WeakPolarHBondContact O-CB 3.35Å; P16-A19 PolarHBondContact O-N 2.98Å; P16-I20 PolarHBondContact O-N 2.82Å | ||
| 17 | E | 89.2 | Confident | 86.9 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -49.3 | -43.2 | 178.2 | -171.1 | -150.7 | 124.6 | 0 | 0 | 113.4 | L6 S10 A19 I20 R21 | L6-E17 HydrophobicContact CB-CG 4.03Å; S10-E17 PolarHBondContact OG-N 3.48Å; E17-A19 VanDerWaalsContact C-N 3.27Å; E17-A19 PolarHBondContact O-N 3.21Å; E17-I20 PolarHBondContact O-N 3.48Å; E17-I20 VanDerWaalsContact O-N 3.13Å; E17-R21 PolarHBondContact O-N 3.18Å; E17-R21 WeakPolarHBondContact OE1-CD 3.46Å; E17-R21 IonicContact OE1-CZ 3.37Å; E17-R21 IonicContact OE1-NE 2.72Å; E17-R21 IonicContact OE1-NH1 3.37Å; E17-R21 PolarHBondContact OE1-NH1 3.08Å |
| 18 | P | 90.8 | Very high | 87.8 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.2 | -33 | 176.7 | -25.9 | 37 | 0 | 0 | 0 | 113.9 | P16 L22 I117 | P16-P18 VanDerWaalsContact C-CD 3.43Å; P16-P18 VanDerWaalsContact C-N 3.31Å; P18-L22 WeakPolarHBondContact O-CB 3.35Å; P18-L22 PolarHBondContact O-N 2.82Å; P18-I117 HydrophobicContact CB-CB 3.87Å; P18-I117 HydrophobicContact CB-CD1 4.37Å; P18-I117 HydrophobicContact CB-CG2 4.39Å |
| 19 | A | 89.7 | Confident | 88.6 | Confident | 34 Ų | 34 | 53.8 Ų | 53.8 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P16 E17 L22 I23 I117 | P16-A19 WeakPolarHBondContact O-CB 3.35Å; P16-A19 PolarHBondContact O-N 2.98Å; E17-A19 VanDerWaalsContact C-N 3.27Å; E17-A19 PolarHBondContact O-N 3.21Å; A19-L22 PolarHBondContact O-N 3.11Å; A19-I23 PolarHBondContact O-N 3.07Å; A19-I117 VanDerWaalsContact CA-CD1 3.47Å; A19-I117 HydrophobicContact CB-CD1 3.87Å |
| 20 | I | 90.8 | Very high | 89.6 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 175.2 | -67 | 177 | 0 | 0 | 0 | 110.8 | L6 L9 S10 L13 P16 E17 L22 I23 L24 | L6-I20 HydrophobicContact CD2-CG2 4.12Å; L9-I20 VanDerWaalsContact C-CD1 3.47Å; L9-I20 HydrophobicContact CB-CD1 4.16Å; L9-I20 HydrophobicContact CB-CG2 4.49Å; L9-I20 WeakPolarHBondContact O-CD1 3.44Å; S10-I20 VanDerWaalsContact N-CD1 3.3Å; L13-I20 HydrophobicContact CD1-CD1 4.06Å; L13-I20 HydrophobicContact CD1-CG1 4.42Å; P16-I20 PolarHBondContact O-N 2.82Å; E17-I20 PolarHBondContact O-N 3.48Å; E17-I20 VanDerWaalsContact O-N 3.13Å; I20-L22 VanDerWaalsContact C-N 3.28Å; I20-L22 PolarHBondContact O-N 3.37Å; I20-I23 VanDerWaalsContact O-CG2 3.3Å; I20-I23 WeakPolarHBondContact O-CG2 3.39Å; I20-I23 PolarHBondContact O-N 3.36Å; I20-L24 HydrophobicContact CG2-CD1 3.84Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 VanDerWaalsContact O-CG 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 2.98Å |
| 21 | R | 93.3 | Very high | 90.5 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175.3 | -74.2 | 168.3 | 65.5 | -176.4 | -3.4 | 111.3 | L6 E17 S25 F62 N63 | L6-R21 HydrophobicContact CD1-CG 3.97Å; L6-R21 HydrophobicContact CD2-CG 4.27Å; E17-R21 PolarHBondContact O-N 3.18Å; E17-R21 WeakPolarHBondContact OE1-CD 3.46Å; E17-R21 IonicContact OE1-CZ 3.37Å; E17-R21 IonicContact OE1-NE 2.72Å; E17-R21 IonicContact OE1-NH1 3.37Å; E17-R21 PolarHBondContact OE1-NH1 3.08Å; R21-S25 VanDerWaalsContact O-CB 3.26Å; R21-S25 WeakPolarHBondContact O-CB 3.37Å; R21-S25 PolarHBondContact O-N 2.96Å; R21-S25 PolarHBondContact O-OG 2.8Å; R21-F62 HydrophobicContact CB-CD1 4.49Å; R21-F62 HydrophobicContact CB-CE1 3.8Å; R21-F62 HydrophobicContact CB-CZ 4.32Å; R21-F62 HydrophobicContact CG-CE1 3.83Å; R21-F62 HydrophobicContact CG-CZ 3.83Å; R21-F62 PolarHBondContact NE-O 3.38Å; R21-F62 PolarHBondContact NH2-O 3.38Å; R21-N63 PolarHBondContact NH2-O 3.03Å; R21-N63 PolarHBondContact O-OD1 2.65Å |
| 22 | L | 94.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 177.5 | -178.7 | 61.6 | 0 | 0 | 0 | 112 | P18 A19 I20 L24 S25 V26 N63 I117 M121 L176 V177 | P18-L22 WeakPolarHBondContact O-CB 3.35Å; P18-L22 PolarHBondContact O-N 2.82Å; A19-L22 PolarHBondContact O-N 3.11Å; I20-L22 VanDerWaalsContact C-N 3.28Å; I20-L22 PolarHBondContact O-N 3.37Å; L22-L24 PolarHBondContact O-N 3.36Å; L22-S25 WeakPolarHBondContact O-CB 3.38Å; L22-S25 PolarHBondContact O-N 3.34Å; L22-S25 VanDerWaalsContact O-N 3.13Å; L22-V26 HydrophobicContact CD1-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 2.96Å; L22-N63 PolarHBondContact N-OD1 3.33Å; L22-I117 HydrophobicContact CB-CD1 4.42Å; L22-I117 HydrophobicContact CD2-CD1 3.94Å; L22-I117 HydrophobicContact CD2-CG2 4.4Å; L22-M121 HydrophobicContact CD1-CE 3.61Å; L22-M121 HydrophobicContact CD2-CE 3.94Å; L22-M121 HydrophobicContact CG-CE 4.43Å; L22-L176 HydrophobicContact CD1-CB 4.21Å; L22-L176 HydrophobicContact CD1-CD1 4.32Å; L22-V177 HydrophobicContact CD1-CG1 3.92Å; L22-V177 HydrophobicContact CD2-CG1 4.41Å |
| 23 | I | 93.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | -177.4 | -167.9 | 62.7 | 0 | 0 | 0 | 111.7 | A19 I20 S25 V26 L27 L219 I268 | A19-I23 PolarHBondContact O-N 3.07Å; I20-I23 VanDerWaalsContact O-CG2 3.3Å; I20-I23 WeakPolarHBondContact O-CG2 3.39Å; I20-I23 PolarHBondContact O-N 3.36Å; I23-S25 VanDerWaalsContact C-N 3.25Å; I23-S25 PolarHBondContact O-N 2.9Å; I23-V26 PolarHBondContact O-N 3.46Å; I23-L27 HydrophobicContact CG1-CD1 4.16Å; I23-L27 HydrophobicContact CG1-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CB 3.26Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.26Å; I23-L27 PolarHBondContact O-N 2.91Å; I23-L219 HydrophobicContact CD1-CD2 4.26Å; I23-L219 HydrophobicContact CG1-CD2 4.24Å; I23-I268 HydrophobicContact CD1-CD1 4.08Å |
| 24 | L | 94.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 174 | -70.3 | 175.1 | 0 | 0 | 0 | 111.6 | L6 I20 L22 L27 I28 | L6-L24 HydrophobicContact CD2-CD1 3.91Å; I20-L24 HydrophobicContact CG2-CD1 3.84Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 VanDerWaalsContact O-CG 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 2.98Å; L22-L24 PolarHBondContact O-N 3.36Å; L24-L27 PolarHBondContact O-N 3.23Å; L24-I28 PolarHBondContact O-N 3.45Å |
| 25 | S | 96.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.4 | -32 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | R21 L22 I23 I28 F62 N63 | R21-S25 VanDerWaalsContact O-CB 3.26Å; R21-S25 WeakPolarHBondContact O-CB 3.37Å; R21-S25 PolarHBondContact O-N 2.96Å; R21-S25 PolarHBondContact O-OG 2.8Å; L22-S25 WeakPolarHBondContact O-CB 3.38Å; L22-S25 PolarHBondContact O-N 3.34Å; L22-S25 VanDerWaalsContact O-N 3.13Å; I23-S25 VanDerWaalsContact C-N 3.25Å; I23-S25 PolarHBondContact O-N 2.9Å; S25-I28 WeakPolarHBondContact O-CG2 3.47Å; S25-F62 WeakPolarHBondContact OG-CD1 3.22Å; S25-N63 PolarHBondContact OG-ND2 3.47Å |
| 26 | V | 96.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.5 | -40.8 | 171.8 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | L22 I23 G29 V177 I268 A269 | L22-V26 HydrophobicContact CD1-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 2.96Å; I23-V26 PolarHBondContact O-N 3.46Å; V26-G29 PolarHBondContact O-N 3.38Å; V26-V177 HydrophobicContact CG2-CG1 4.41Å; V26-V177 HydrophobicContact CG2-CG2 4.22Å; V26-I268 HydrophobicContact CG1-CB 3.96Å; V26-I268 HydrophobicContact CG1-CG2 3.61Å; V26-A269 HydrophobicContact CG1-CB 4.16Å |
| 27 | L | 97.1 | Very high | 95.6 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.1 | -41.2 | 179.7 | -69.8 | 170.1 | 0 | 0 | 0 | 112.9 | I23 L24 G29 Y30 P31 F212 I268 | I23-L27 HydrophobicContact CG1-CD1 4.16Å; I23-L27 HydrophobicContact CG1-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CB 3.26Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.26Å; I23-L27 PolarHBondContact O-N 2.91Å; L24-L27 PolarHBondContact O-N 3.23Å; L27-G29 PolarHBondContact O-N 3.17Å; L27-G29 VanDerWaalsContact O-N 3.12Å; L27-Y30 PolarHBondContact O-N 3.14Å; L27-P31 WeakPolarHBondContact O-CD 3.44Å; L27-F212 HydrophobicContact CD2-CD2 4.5Å; L27-F212 HydrophobicContact CD2-CE2 3.66Å; L27-F212 HydrophobicContact CD2-CZ 4.47Å; L27-I268 HydrophobicContact CD2-CG2 4.14Å |
| 28 | I | 97.5 | Very high | 96 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 38% | 0.379 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.4 | 177.5 | -157.6 | 168.5 | 0 | 0 | 0 | 112.7 | L24 S25 Y30 P31 F32 L59 | L24-I28 PolarHBondContact O-N 3.45Å; S25-I28 WeakPolarHBondContact O-CG2 3.47Å; I28-Y30 PolarHBondContact O-N 2.98Å; I28-P31 HydrophobicContact CG1-CB 4.43Å; I28-P31 HydrophobicContact CG1-CG 4.37Å; I28-P31 WeakPolarHBondContact O-CD 3.13Å; I28-F32 HydrophobicContact CD1-CZ 4.42Å; I28-F32 HydrophobicContact CG1-CZ 4.43Å; I28-F32 HydrophobicContact CG2-CD2 4.46Å; I28-F32 HydrophobicContact CG2-CE2 4.04Å; I28-F32 PolarHBondContact O-N 3.32Å; I28-F32 VanDerWaalsContact O-N 3.07Å; I28-L59 HydrophobicContact CG2-CD2 3.59Å |
| 29 | G | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.8 | -33.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V26 L27 F32 A33 V272 | V26-G29 PolarHBondContact O-N 3.38Å; L27-G29 PolarHBondContact O-N 3.17Å; L27-G29 VanDerWaalsContact O-N 3.12Å; G29-F32 PolarHBondContact O-N 3.36Å; G29-A33 WeakPolarHBondContact O-CB 3.41Å; G29-A33 PolarHBondContact O-N 3.24Å; G29-V272 WeakPolarHBondContact O-CG1 3.25Å |
| 30 | Y | 98.5 | Very high | 96.7 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 9% | 0.09 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -52.5 | 175.7 | -76.4 | -97.8 | 0 | 0 | 0 | 112.1 | L27 I28 F32 A33 L34 A208 F212 I268 G271 V272 L275 | L27-Y30 PolarHBondContact O-N 3.14Å; I28-Y30 PolarHBondContact O-N 2.98Å; Y30-F32 VanDerWaalsContact C-N 3.29Å; Y30-F32 PolarHBondContact O-N 2.85Å; Y30-A33 PolarHBondContact O-N 3.07Å; Y30-A33 VanDerWaalsContact O-N 3.1Å; Y30-L34 WeakPolarHBondContact O-CG 3.41Å; Y30-L34 PolarHBondContact O-N 2.95Å; Y30-A208 HydrophobicContact CE1-CB 4.37Å; Y30-F212 HydrophobicContact CD2-CD2 4.36Å; Y30-F212 HydrophobicContact CE1-CB 4.13Å; Y30-F212 HydrophobicContact CE1-CD2 4.33Å; Y30-F212 AromaticContact CE2-CD2 3.82Å; Y30-F212 HydrophobicContact CE2-CD2 3.82Å; Y30-F212 AromaticContact CZ-CD2 3.8Å; Y30-F212 WeakPolarHBondContact OH-CB 3.46Å; Y30-I268 HydrophobicContact CE2-CG2 3.72Å; Y30-I268 PolarHBondContact OH-O 2.93Å; Y30-G271 VanDerWaalsContact OH-CA 3.24Å; Y30-G271 WeakPolarHBondContact OH-CA 3.32Å; Y30-V272 HydrophobicContact CD2-CG2 3.44Å; Y30-V272 VanDerWaalsContact CD2-CG2 3.44Å; Y30-V272 HydrophobicContact CE2-CG2 3.38Å; Y30-V272 HydrophobicContact CG-CG2 4.16Å; Y30-L275 HydrophobicContact CD1-CD2 3.8Å |
| 31 | P | 98.4 | Very high | 97 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -49.5 | -45.4 | 168.2 | -30.7 | 32.4 | 0 | 0 | 0 | 113.9 | L27 I28 A33 L34 V35 | L27-P31 WeakPolarHBondContact O-CD 3.44Å; I28-P31 HydrophobicContact CG1-CB 4.43Å; I28-P31 HydrophobicContact CG1-CG 4.37Å; I28-P31 WeakPolarHBondContact O-CD 3.13Å; P31-A33 VanDerWaalsContact C-N 3.35Å; P31-A33 PolarHBondContact O-N 3.02Å; P31-L34 PolarHBondContact O-N 2.82Å; P31-V35 WeakPolarHBondContact O-CG2 3.5Å; P31-V35 PolarHBondContact O-N 3.16Å |
| 32 | F | 98.6 | Very high | 97.2 | Very high | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.4 | -69.5 | -26.9 | 0 | 0 | 0 | 112.9 | I28 G29 Y30 L34 V35 Y36 F51 L59 Y172 | I28-F32 HydrophobicContact CD1-CZ 4.42Å; I28-F32 HydrophobicContact CG1-CZ 4.43Å; I28-F32 HydrophobicContact CG2-CD2 4.46Å; I28-F32 HydrophobicContact CG2-CE2 4.04Å; I28-F32 PolarHBondContact O-N 3.32Å; I28-F32 VanDerWaalsContact O-N 3.07Å; G29-F32 PolarHBondContact O-N 3.36Å; Y30-F32 VanDerWaalsContact C-N 3.29Å; Y30-F32 PolarHBondContact O-N 2.85Å; F32-L34 VanDerWaalsContact C-N 3.35Å; F32-V35 PolarHBondContact O-N 3.03Å; F32-Y36 WeakPolarHBondContact O-CB 3.33Å; F32-Y36 PolarHBondContact O-N 3.38Å; F32-F51 HydrophobicContact CB-CZ 4.03Å; F32-F51 HydrophobicContact CD1-CZ 4.32Å; F32-F51 HydrophobicContact CG-CZ 4.39Å; F32-L59 HydrophobicContact CE2-CD1 4.29Å; F32-L59 HydrophobicContact CE2-CD2 3.99Å; F32-L59 HydrophobicContact CE2-CG 4.08Å; F32-Y172 HydrophobicContact CB-CD1 4.22Å; F32-Y172 HydrophobicContact CB-CD2 3.66Å; F32-Y172 HydrophobicContact CB-CE1 4.26Å; F32-Y172 HydrophobicContact CB-CE2 3.72Å; F32-Y172 HydrophobicContact CB-CG 3.95Å; F32-Y172 HydrophobicContact CD2-CD2 4.16Å; F32-Y172 HydrophobicContact CD2-CG 4.01Å; F32-Y172 HydrophobicContact CG-CD2 4.44Å; F32-Y172 HydrophobicContact CG-CG 4.42Å |
| 33 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G29 Y30 P31 R37 Y172 V272 L275 A276 | G29-A33 WeakPolarHBondContact O-CB 3.41Å; G29-A33 PolarHBondContact O-N 3.24Å; Y30-A33 PolarHBondContact O-N 3.07Å; Y30-A33 VanDerWaalsContact O-N 3.1Å; P31-A33 VanDerWaalsContact C-N 3.35Å; P31-A33 PolarHBondContact O-N 3.02Å; A33-R37 VanDerWaalsContact O-CB 3.22Å; A33-R37 WeakPolarHBondContact O-CB 3.43Å; A33-R37 PolarHBondContact O-N 3.15Å; A33-Y172 VanDerWaalsContact CA-OH 3.26Å; A33-Y172 WeakPolarHBondContact CA-OH 3.41Å; A33-Y172 HydrophobicContact CB-CE2 4.11Å; A33-V272 HydrophobicContact CB-CG1 4.49Å; A33-L275 HydrophobicContact CB-CB 3.9Å; A33-L275 HydrophobicContact CB-CD2 3.83Å; A33-L275 HydrophobicContact CB-CG 3.73Å; A33-A276 HydrophobicContact CB-CB 4.4Å |
| 34 | L | 98.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 173.5 | -67.7 | 174.6 | 0 | 0 | 0 | 112 | Y30 P31 F32 Y36 R37 W38 L275 | Y30-L34 WeakPolarHBondContact O-CG 3.41Å; Y30-L34 PolarHBondContact O-N 2.95Å; P31-L34 PolarHBondContact O-N 2.82Å; F32-L34 VanDerWaalsContact C-N 3.35Å; L34-Y36 VanDerWaalsContact C-N 3.34Å; L34-Y36 PolarHBondContact O-N 3.24Å; L34-R37 PolarHBondContact O-N 3.06Å; L34-W38 HydrophobicContact CB-CD2 4.39Å; L34-W38 HydrophobicContact CB-CE3 4.1Å; L34-W38 HydrophobicContact CB-CH2 4.12Å; L34-W38 HydrophobicContact CB-CZ2 4.39Å; L34-W38 HydrophobicContact CB-CZ3 3.96Å; L34-W38 HydrophobicContact CD1-CH2 4Å; L34-W38 HydrophobicContact CD1-CZ2 4.47Å; L34-W38 HydrophobicContact CD1-CZ3 4.45Å; L34-W38 HydrophobicContact CD2-CH2 4.19Å; L34-W38 HydrophobicContact CD2-CZ2 3.85Å; L34-W38 HydrophobicContact CG-CH2 4.33Å; L34-W38 HydrophobicContact CG-CZ2 4.46Å; L34-W38 WeakPolarHBondContact O-CB 3.37Å; L34-W38 PolarHBondContact O-N 2.88Å; L34-L275 HydrophobicContact CD2-CD1 4.42Å; L34-L275 HydrophobicContact CD2-CD2 3.99Å; L34-L275 HydrophobicContact CG-CD2 4.09Å |
| 35 | V | 98.5 | Very high | 97.7 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.1 | 168 | 0 | 0 | 0 | 0 | 110.5 | P31 F32 R37 F39 L40 F51 | P31-V35 WeakPolarHBondContact O-CG2 3.5Å; P31-V35 PolarHBondContact O-N 3.16Å; F32-V35 PolarHBondContact O-N 3.03Å; V35-R37 PolarHBondContact O-N 3.41Å; V35-F39 HydrophobicContact CB-CD2 4.45Å; V35-F39 HydrophobicContact CG1-CD2 4.2Å; V35-F39 WeakPolarHBondContact O-CB 3.17Å; V35-F39 WeakPolarHBondContact O-CD2 3.21Å; V35-F39 PolarHBondContact O-N 2.63Å; V35-L40 HydrophobicContact CG1-CD1 4.45Å; V35-F51 HydrophobicContact CB-CZ 4.36Å; V35-F51 HydrophobicContact CG1-CE2 4Å; V35-F51 HydrophobicContact CG1-CZ 4.09Å |
| 36 | Y | 98 | Very high | 97.8 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -56.4 | -51.5 | 173.8 | 167.6 | -103.7 | 0 | 0 | 0 | 111 | F32 L34 W38 L40 F41 V48 A276 | F32-Y36 WeakPolarHBondContact O-CB 3.33Å; F32-Y36 PolarHBondContact O-N 3.38Å; L34-Y36 VanDerWaalsContact C-N 3.34Å; L34-Y36 PolarHBondContact O-N 3.24Å; Y36-W38 PolarHBondContact O-N 2.83Å; Y36-L40 HydrophobicContact CD2-CB 3.99Å; Y36-L40 CarbonylContact O-C 3.6Å; Y36-L40 WeakPolarHBondContact O-CA 3.32Å; Y36-L40 PolarHBondContact O-N 3.33Å; Y36-F41 HydrophobicContact CE1-CD2 4.08Å; Y36-F41 PolarHBondContact O-N 3.04Å; Y36-V48 HydrophobicContact CD2-CG1 4.29Å; Y36-V48 HydrophobicContact CE2-CG1 3.75Å; Y36-V48 HydrophobicContact CE2-CG2 4.11Å; Y36-A276 WeakPolarHBondContact CE1-O 3.27Å |
| 37 | R | 97.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -59.4 | -44.1 | -176.9 | -173.7 | -177.8 | -176.3 | 79.9 | 4.3 | 113.3 | A33 L34 V35 F41 P201 P202 | A33-R37 VanDerWaalsContact O-CB 3.22Å; A33-R37 WeakPolarHBondContact O-CB 3.43Å; A33-R37 PolarHBondContact O-N 3.15Å; L34-R37 PolarHBondContact O-N 3.06Å; V35-R37 PolarHBondContact O-N 3.41Å; R37-F41 WeakPolarHBondContact O-CB 3.44Å; R37-P201 HydrophobicContact CG-CB 3.87Å; R37-P201 HydrophobicContact CG-CG 4.43Å; R37-P201 VanDerWaalsContact CZ-CB 3.47Å; R37-P201 PolarHBondContact NH2-O 3.02Å; R37-P202 PolarHBondContact NH1-O 3.34Å; R37-P202 PolarHBondContact NH2-O 2.82Å |
| 38 | W | 97.5 | Very high | 97.9 | Very high | 164 Ų | 164 | 55.5 Ų | 55.5 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | I | π-helix | trans | -86.9 | -36.2 | -172.4 | -64.4 | -30 | 0 | 0 | 0 | 113.3 | L34 Y36 | L34-W38 HydrophobicContact CB-CD2 4.39Å; L34-W38 HydrophobicContact CB-CE3 4.1Å; L34-W38 HydrophobicContact CB-CH2 4.12Å; L34-W38 HydrophobicContact CB-CZ2 4.39Å; L34-W38 HydrophobicContact CB-CZ3 3.96Å; L34-W38 HydrophobicContact CD1-CH2 4Å; L34-W38 HydrophobicContact CD1-CZ2 4.47Å; L34-W38 HydrophobicContact CD1-CZ3 4.45Å; L34-W38 HydrophobicContact CD2-CH2 4.19Å; L34-W38 HydrophobicContact CD2-CZ2 3.85Å; L34-W38 HydrophobicContact CG-CH2 4.33Å; L34-W38 HydrophobicContact CG-CZ2 4.46Å; L34-W38 WeakPolarHBondContact O-CB 3.37Å; L34-W38 PolarHBondContact O-N 2.88Å; Y36-W38 PolarHBondContact O-N 2.83Å |
| 39 | F | 98 | Very high | 98 | Very high | 134 Ų | 134 | 52.6 Ų | 52.6 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -113.9 | -30.2 | -170.2 | -54.1 | -70.1 | 0 | 0 | 0 | 113.5 | V35 Q43 | V35-F39 HydrophobicContact CB-CD2 4.45Å; V35-F39 HydrophobicContact CG1-CD2 4.2Å; V35-F39 WeakPolarHBondContact O-CB 3.17Å; V35-F39 WeakPolarHBondContact O-CD2 3.21Å; V35-F39 PolarHBondContact O-N 2.63Å; F39-Q43 WeakPolarHBondContact O-CG 3.38Å |
| 40 | L | 97.8 | Very high | 98 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -109.4 | -12.8 | -170 | -50.7 | 178.7 | 0 | 0 | 0 | 114.3 | V35 Y36 Y42 Q43 V47 F51 | V35-L40 HydrophobicContact CG1-CD1 4.45Å; Y36-L40 HydrophobicContact CD2-CB 3.99Å; Y36-L40 CarbonylContact O-C 3.6Å; Y36-L40 WeakPolarHBondContact O-CA 3.32Å; Y36-L40 PolarHBondContact O-N 3.33Å; L40-Y42 PolarHBondContact O-N 3.27Å; L40-Q43 HydrophobicContact CB-CG 4.45Å; L40-Q43 HydrophobicContact CD2-CG 4.1Å; L40-Q43 WeakPolarHBondContact O-CB 3.27Å; L40-Q43 PolarHBondContact O-N 3.41Å; L40-V47 HydrophobicContact CD2-CG1 4.12Å; L40-F51 HydrophobicContact CD1-CB 3.59Å; L40-F51 HydrophobicContact CD1-CD1 3.54Å; L40-F51 HydrophobicContact CD1-CD2 3.5Å; L40-F51 VanDerWaalsContact CD1-CD2 3.5Å; L40-F51 HydrophobicContact CD1-CE1 4.05Å; L40-F51 HydrophobicContact CD1-CE2 4.01Å; L40-F51 HydrophobicContact CD1-CG 3.23Å; L40-F51 HydrophobicContact CD1-CZ 4.26Å |
| 41 | F | 96.5 | Very high | 98 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.2 | -175.4 | -175.7 | -97.1 | 0 | 0 | 0 | 112.2 | Y36 R37 R192 K200 P201 | Y36-F41 HydrophobicContact CE1-CD2 4.08Å; Y36-F41 PolarHBondContact O-N 3.04Å; R37-F41 WeakPolarHBondContact O-CB 3.44Å; F41-R192 HydrophobicContact CE2-CB 4.38Å; F41-R192 HydrophobicContact CE2-CG 4.31Å; F41-R192 HydrophobicContact CZ-CB 4.09Å; F41-R192 HydrophobicContact CZ-CG 4.24Å; F41-R192 WeakPolarHBondContact O-CD 3.24Å; F41-R192 PolarHBondContact O-NE 3.39Å; F41-R192 PolarHBondContact O-NH2 3.11Å; F41-K200 VanDerWaalsContact CE1-C 3.42Å; F41-K200 VanDerWaalsContact CZ-C 3.43Å; F41-K200 VanDerWaalsContact CZ-O 3.24Å; F41-K200 WeakPolarHBondContact CZ-O 3.47Å; F41-P201 HydrophobicContact CB-CG 4.36Å; F41-P201 HydrophobicContact CD1-CB 4.5Å; F41-P201 HydrophobicContact CD1-CG 3.69Å; F41-P201 HydrophobicContact CD2-CB 4.36Å; F41-P201 HydrophobicContact CD2-CG 4.31Å; F41-P201 HydrophobicContact CE1-CG 4.02Å; F41-P201 HydrophobicContact CE2-CB 4.44Å; F41-P201 HydrophobicContact CG-CB 4.39Å; F41-P201 HydrophobicContact CG-CG 3.85Å; F41-P201 HydrophobicContact CZ-CG 4.46Å |
| 42 | Y | 96.8 | Very high | 98.1 | Very high | 138 Ų | 138 | 54.2 Ų | 54.2 | 54% | 0.541 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -2 | 178.4 | -59.6 | -67 | 0 | 0 | 0 | 114.3 | L40 R192 G199 P201 | L40-Y42 PolarHBondContact O-N 3.27Å; Y42-R192 PolarHBondContact O-NH2 3.01Å; Y42-G199 WeakPolarHBondContact CE1-O 3.44Å; Y42-P201 WeakPolarHBondContact OH-CD 3.38Å |
| 43 | Q | 97.8 | Very high | 98.1 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -76.7 | 154.9 | -178.5 | -62.8 | -63.4 | -26.4 | 0 | 0 | 112.5 | F39 L40 V47 R192 | F39-Q43 WeakPolarHBondContact O-CG 3.38Å; L40-Q43 HydrophobicContact CB-CG 4.45Å; L40-Q43 HydrophobicContact CD2-CG 4.1Å; L40-Q43 WeakPolarHBondContact O-CB 3.27Å; L40-Q43 PolarHBondContact O-N 3.41Å; Q43-V47 HydrophobicContact CB-CB 4.03Å; Q43-V47 HydrophobicContact CB-CG1 4.02Å; Q43-V47 HydrophobicContact CG-CG1 4.41Å; Q43-R192 PolarHBondContact O-NH2 2.86Å |
| 44 | P | 97.9 | Very high | 98.1 | Very high | 76 Ų | 76 | 57 Ų | 57 | 49% | 0.494 | 29% | 0.29 | S | S | . | . | trans | -55.7 | 151.6 | 177.8 | -24.7 | 34.1 | 0 | 0 | 0 | 113 | T46 V47 V48 | P44-T46 PolarHBondContact O-N 3.41Å; P44-T46 VanDerWaalsContact O-N 3.11Å; P44-V47 WeakPolarHBondContact O-CB 3.45Å; P44-V47 PolarHBondContact O-N 3.47Å; P44-V48 PolarHBondContact O-N 2.85Å | ||
| 45 | A | 97.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -51 | -40 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V47 V48 H49 V190 | A45-V47 VanDerWaalsContact C-N 3.32Å; A45-V47 PolarHBondContact O-N 3.25Å; A45-V48 PolarHBondContact O-N 3.41Å; A45-V48 VanDerWaalsContact O-N 3.15Å; A45-H49 PolarHBondContact O-CD2 3.33Å; A45-H49 PolarHBondContact O-N 3.08Å; A45-V190 HydrophobicContact CB-CG1 3.56Å |
| 46 | T | 98.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.1 | -45.9 | 175.8 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | P44 H49 L50 L163 | P44-T46 PolarHBondContact O-N 3.41Å; P44-T46 VanDerWaalsContact O-N 3.11Å; T46-H49 PolarHBondContact O-N 3.48Å; T46-L50 HydrophobicContact CG2-CD1 4.23Å; T46-L50 VanDerWaalsContact O-CG 3.29Å; T46-L50 WeakPolarHBondContact O-CG 3.23Å; T46-L50 PolarHBondContact O-N 2.69Å; T46-L163 HydrophobicContact CG2-CD2 3.85Å |
| 47 | V | 98.5 | Very high | 98 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | L40 Q43 P44 A45 L50 F51 | L40-V47 HydrophobicContact CD2-CG1 4.12Å; Q43-V47 HydrophobicContact CB-CB 4.03Å; Q43-V47 HydrophobicContact CB-CG1 4.02Å; Q43-V47 HydrophobicContact CG-CG1 4.41Å; P44-V47 WeakPolarHBondContact O-CB 3.45Å; P44-V47 PolarHBondContact O-N 3.47Å; A45-V47 VanDerWaalsContact C-N 3.32Å; A45-V47 PolarHBondContact O-N 3.25Å; V47-L50 PolarHBondContact O-N 3.11Å; V47-F51 WeakPolarHBondContact O-CB 3.3Å; V47-F51 PolarHBondContact O-N 3.17Å |
| 48 | V | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | Y36 P44 A45 F51 H52 V190 | Y36-V48 HydrophobicContact CD2-CG1 4.29Å; Y36-V48 HydrophobicContact CE2-CG1 3.75Å; Y36-V48 HydrophobicContact CE2-CG2 4.11Å; P44-V48 PolarHBondContact O-N 2.85Å; A45-V48 PolarHBondContact O-N 3.41Å; A45-V48 VanDerWaalsContact O-N 3.15Å; V48-F51 PolarHBondContact O-N 3.13Å; V48-H52 VanDerWaalsContact CG1-CE1 3.47Å; V48-H52 WeakPolarHBondContact CG1-CE1 3.37Å; V48-H52 VanDerWaalsContact O-CG 3.29Å; V48-H52 PolarHBondContact O-N 2.99Å; V48-H52 PolarHBondContact O-ND1 3.24Å; V48-V190 HydrophobicContact CB-CG1 4.24Å; V48-V190 HydrophobicContact CG1-CG1 4.23Å; V48-V190 HydrophobicContact CG1-CG2 3.97Å |
| 49 | H | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.06 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.1 | -65.3 | -53 | 0 | 0 | 0 | 111.7 | A45 T46 F51 H52 I53 L163 Y186 | A45-H49 PolarHBondContact O-CD2 3.33Å; A45-H49 PolarHBondContact O-N 3.08Å; T46-H49 PolarHBondContact O-N 3.48Å; H49-F51 VanDerWaalsContact C-N 3.3Å; H49-F51 PolarHBondContact O-N 3.28Å; H49-H52 PolarHBondContact O-N 3.33Å; H49-I53 WeakPolarHBondContact O-CG1 3.34Å; H49-I53 PolarHBondContact O-N 3.13Å; H49-L163 HydrophobicContact CB-CD1 3.96Å; H49-L163 HydrophobicContact CB-CD2 3.87Å; H49-L163 HydrophobicContact CB-CG 3.54Å; H49-Y186 AromaticContact CE1-CE1 3.56Å; H49-Y186 AromaticContact ND1-CE1 3.45Å; H49-Y186 WeakPolarHBondContact ND1-CE1 3.27Å; H49-Y186 AromaticContact ND1-CZ 3.56Å; H49-Y186 PolarHBondContact ND1-OH 2.89Å |
| 50 | L | 98.8 | Very high | 98 | Very high | 87 Ų | 87 | 41.4 Ų | 41.4 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.4 | -72.1 | 171.2 | 0 | 0 | 0 | 111.5 | T46 V47 I53 C54 L163 | T46-L50 HydrophobicContact CG2-CD1 4.23Å; T46-L50 VanDerWaalsContact O-CG 3.29Å; T46-L50 WeakPolarHBondContact O-CG 3.23Å; T46-L50 PolarHBondContact O-N 2.69Å; V47-L50 PolarHBondContact O-N 3.11Å; L50-I53 PolarHBondContact O-N 3.25Å; L50-C54 WeakPolarHBondContact O-CB 3.33Å; L50-C54 PolarHBondContact O-N 2.88Å; L50-C54 PolarHBondContact O-SG 3.42Å; L50-L163 HydrophobicContact CD2-CD1 3.92Å; L50-L163 HydrophobicContact CG-CD1 4.25Å |
| 51 | F | 98.8 | Very high | 97.9 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.5 | 175.3 | -109 | 0 | 0 | 0 | 112.1 | F32 V35 L40 V47 V48 H49 I53 C54 S55 Y172 | F32-F51 HydrophobicContact CB-CZ 4.03Å; F32-F51 HydrophobicContact CD1-CZ 4.32Å; F32-F51 HydrophobicContact CG-CZ 4.39Å; V35-F51 HydrophobicContact CB-CZ 4.36Å; V35-F51 HydrophobicContact CG1-CE2 4Å; V35-F51 HydrophobicContact CG1-CZ 4.09Å; L40-F51 HydrophobicContact CD1-CB 3.59Å; L40-F51 HydrophobicContact CD1-CD1 3.54Å; L40-F51 HydrophobicContact CD1-CD2 3.5Å; L40-F51 VanDerWaalsContact CD1-CD2 3.5Å; L40-F51 HydrophobicContact CD1-CE1 4.05Å; L40-F51 HydrophobicContact CD1-CE2 4.01Å; L40-F51 HydrophobicContact CD1-CG 3.23Å; L40-F51 HydrophobicContact CD1-CZ 4.26Å; V47-F51 WeakPolarHBondContact O-CB 3.3Å; V47-F51 PolarHBondContact O-N 3.17Å; V48-F51 PolarHBondContact O-N 3.13Å; H49-F51 VanDerWaalsContact C-N 3.3Å; H49-F51 PolarHBondContact O-N 3.28Å; F51-I53 VanDerWaalsContact C-N 3.33Å; F51-I53 PolarHBondContact O-N 3.13Å; F51-C54 PolarHBondContact O-N 2.84Å; F51-S55 VanDerWaalsContact O-CB 3.3Å; F51-S55 WeakPolarHBondContact O-CB 3.46Å; F51-S55 PolarHBondContact O-N 3.11Å; F51-S55 PolarHBondContact O-OG 3.36Å; F51-Y172 HydrophobicContact CD1-CE1 4.17Å; F51-Y172 HydrophobicContact CE1-CD1 4.06Å; F51-Y172 AromaticContact CE1-CE1 3.52Å; F51-Y172 HydrophobicContact CE1-CE1 3.52Å; F51-Y172 HydrophobicContact CZ-CE1 4.39Å |
| 52 | H | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 175.9 | -68.5 | 162.5 | 0 | 0 | 0 | 111.7 | V48 H49 S55 G56 Y170 F171 Y172 Y186 | V48-H52 VanDerWaalsContact CG1-CE1 3.47Å; V48-H52 WeakPolarHBondContact CG1-CE1 3.37Å; V48-H52 VanDerWaalsContact O-CG 3.29Å; V48-H52 PolarHBondContact O-N 2.99Å; V48-H52 PolarHBondContact O-ND1 3.24Å; H49-H52 PolarHBondContact O-N 3.33Å; H52-S55 PolarHBondContact O-OG 3.08Å; H52-G56 PolarHBondContact O-N 3.18Å; H52-Y170 CarbonylContact O-C 3.57Å; H52-F171 AromaticContact CD2-CD2 3.63Å; H52-F171 AromaticContact CE1-CD2 3.76Å; H52-F171 AromaticContact CG-CD2 3.85Å; H52-F171 AromaticContact ND1-CD2 3.94Å; H52-F171 AromaticContact NE2-CD2 3.57Å; H52-F171 AromaticContact NE2-CE2 3.6Å; H52-Y172 AromaticContact CD2-CD1 3.85Å; H52-Y172 AromaticContact CD2-CE1 3.52Å; H52-Y172 AromaticContact NE2-CE1 3.78Å; H52-Y186 AromaticContact ND1-CE2 3.38Å; H52-Y186 WeakPolarHBondContact ND1-CE2 3.5Å; H52-Y186 AromaticContact ND1-CZ 3.65Å; H52-Y186 PolarHBondContact ND1-OH 3.39Å; H52-Y186 VanDerWaalsContact ND1-OH 3.1Å |
| 53 | I | 98.7 | Very high | 97.8 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -53.8 | 178.1 | -65.8 | 167.7 | 0 | 0 | 0 | 111.2 | H49 L50 F51 S55 G56 L57 L163 F166 | H49-I53 WeakPolarHBondContact O-CG1 3.34Å; H49-I53 PolarHBondContact O-N 3.13Å; L50-I53 PolarHBondContact O-N 3.25Å; F51-I53 VanDerWaalsContact C-N 3.33Å; F51-I53 PolarHBondContact O-N 3.13Å; I53-S55 PolarHBondContact O-N 3.25Å; I53-G56 PolarHBondContact O-N 3.35Å; I53-L57 HydrophobicContact CG2-CD1 3.56Å; I53-L57 HydrophobicContact CG2-CG 4.26Å; I53-L57 VanDerWaalsContact O-CB 3.29Å; I53-L57 WeakPolarHBondContact O-CB 3.38Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.38Å; I53-L57 PolarHBondContact O-N 3.49Å; I53-L163 HydrophobicContact CD1-CD1 3.52Å; I53-L163 HydrophobicContact CD1-CG 4.5Å; I53-F166 HydrophobicContact CD1-CB 3.52Å; I53-F166 HydrophobicContact CG1-CB 3.79Å |
| 54 | C | 98.5 | Very high | 97.7 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 54% | 0.541 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.2 | -43.5 | -176.2 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | L50 F51 A58 | L50-C54 WeakPolarHBondContact O-CB 3.33Å; L50-C54 PolarHBondContact O-N 2.88Å; L50-C54 PolarHBondContact O-SG 3.42Å; F51-C54 PolarHBondContact O-N 2.84Å; C54-A58 VanDerWaalsContact O-CB 3.24Å; C54-A58 WeakPolarHBondContact O-CB 3.34Å; C54-A58 PolarHBondContact O-N 3.08Å |
| 55 | S | 98.5 | Very high | 97.5 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | 177.9 | 54.6 | 0 | 0 | 0 | 0 | 112 | F51 H52 I53 A58 L59 Y172 | F51-S55 VanDerWaalsContact O-CB 3.3Å; F51-S55 WeakPolarHBondContact O-CB 3.46Å; F51-S55 PolarHBondContact O-N 3.11Å; F51-S55 PolarHBondContact O-OG 3.36Å; H52-S55 PolarHBondContact O-OG 3.08Å; I53-S55 PolarHBondContact O-N 3.25Å; S55-A58 PolarHBondContact O-N 3.2Å; S55-L59 WeakPolarHBondContact O-CG 3.39Å; S55-L59 PolarHBondContact O-N 2.89Å; S55-Y172 WeakPolarHBondContact OG-CD1 3.45Å |
| 56 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H52 I53 A58 L59 A60 Y170 | H52-G56 PolarHBondContact O-N 3.18Å; I53-G56 PolarHBondContact O-N 3.35Å; G56-A58 VanDerWaalsContact C-N 3.33Å; G56-L59 PolarHBondContact O-N 3.37Å; G56-A60 WeakPolarHBondContact O-CB 3.32Å; G56-A60 PolarHBondContact O-N 2.83Å; G56-Y170 WeakPolarHBondContact CA-O 3.35Å |
| 57 | L | 97.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 174.3 | -72.9 | 173.9 | 0 | 0 | 0 | 111.8 | I53 A60 A61 L68 Y170 | I53-L57 HydrophobicContact CG2-CD1 3.56Å; I53-L57 HydrophobicContact CG2-CG 4.26Å; I53-L57 VanDerWaalsContact O-CB 3.29Å; I53-L57 WeakPolarHBondContact O-CB 3.38Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.38Å; I53-L57 PolarHBondContact O-N 3.49Å; L57-A60 WeakPolarHBondContact O-CB 3.34Å; L57-A60 PolarHBondContact O-N 3.12Å; L57-A61 WeakPolarHBondContact O-CB 3.48Å; L57-A61 PolarHBondContact O-N 3.26Å; L57-L68 HydrophobicContact CD2-CD1 4.07Å; L57-Y170 HydrophobicContact CD2-CD1 3.94Å; L57-Y170 HydrophobicContact CD2-CD2 4.36Å; L57-Y170 HydrophobicContact CD2-CE1 3.54Å; L57-Y170 HydrophobicContact CD2-CE2 4.01Å; L57-Y170 HydrophobicContact CD2-CG 4.33Å; L57-Y170 HydrophobicContact CG-CD1 4.19Å; L57-Y170 HydrophobicContact CG-CD2 4.48Å; L57-Y170 HydrophobicContact CG-CE1 4.3Å; L57-Y170 HydrophobicContact CG-CG 4.29Å |
| 58 | A | 97.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 45% | 0.446 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C54 S55 G56 A61 F62 | C54-A58 VanDerWaalsContact O-CB 3.24Å; C54-A58 WeakPolarHBondContact O-CB 3.34Å; C54-A58 PolarHBondContact O-N 3.08Å; S55-A58 PolarHBondContact O-N 3.2Å; G56-A58 VanDerWaalsContact C-N 3.33Å; A58-A61 PolarHBondContact O-N 3.41Å; A58-F62 VanDerWaalsContact O-CB 3.25Å; A58-F62 WeakPolarHBondContact O-CB 3.43Å; A58-F62 PolarHBondContact O-N 2.81Å |
| 59 | L | 97.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 172.7 | -65.9 | -178.4 | 0 | 0 | 0 | 111.8 | I28 F32 S55 G56 F62 N63 F175 L176 | I28-L59 HydrophobicContact CG2-CD2 3.59Å; F32-L59 HydrophobicContact CE2-CD1 4.29Å; F32-L59 HydrophobicContact CE2-CD2 3.99Å; F32-L59 HydrophobicContact CE2-CG 4.08Å; S55-L59 WeakPolarHBondContact O-CG 3.39Å; S55-L59 PolarHBondContact O-N 2.89Å; G56-L59 PolarHBondContact O-N 3.37Å; L59-F62 PolarHBondContact O-N 2.79Å; L59-N63 PolarHBondContact O-N 3.18Å; L59-N63 PolarHBondContact O-ND2 3.11Å; L59-F175 HydrophobicContact CB-CD1 4.5Å; L59-L176 HydrophobicContact CB-CD1 4.36Å; L59-L176 HydrophobicContact CD1-CD1 4.24Å |
| 60 | A | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G56 L57 F62 N63 F64 L68 F175 | G56-A60 WeakPolarHBondContact O-CB 3.32Å; G56-A60 PolarHBondContact O-N 2.83Å; L57-A60 WeakPolarHBondContact O-CB 3.34Å; L57-A60 PolarHBondContact O-N 3.12Å; A60-F62 VanDerWaalsContact C-N 3.34Å; A60-F62 PolarHBondContact O-N 3.18Å; A60-N63 PolarHBondContact O-N 3.2Å; A60-F64 WeakPolarHBondContact O-CD2 3.23Å; A60-F64 PolarHBondContact O-N 3.22Å; A60-L68 HydrophobicContact CB-CB 3.86Å; A60-F175 HydrophobicContact CB-CE1 3.55Å; A60-F175 HydrophobicContact CB-CZ 3.5Å; A60-F175 VanDerWaalsContact CB-CZ 3.5Å |
| 61 | A | 96.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L57 A58 N63 G65 L68 | L57-A61 WeakPolarHBondContact O-CB 3.48Å; L57-A61 PolarHBondContact O-N 3.26Å; A58-A61 PolarHBondContact O-N 3.41Å; A61-N63 VanDerWaalsContact C-N 3.27Å; A61-N63 PolarHBondContact O-N 3.02Å; A61-G65 WeakPolarHBondContact O-CA 3.33Å; A61-G65 PolarHBondContact O-N 2.87Å; A61-L68 HydrophobicContact CB-CD2 3.66Å |
| 62 | F | 95.9 | Very high | 96.5 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -25.5 | 178.4 | 178.1 | -102.4 | 0 | 0 | 0 | 113.3 | L6 R21 S25 A58 L59 A60 | L6-F62 HydrophobicContact CD1-CE2 4.35Å; L6-F62 HydrophobicContact CD1-CZ 4.24Å; R21-F62 HydrophobicContact CB-CD1 4.49Å; R21-F62 HydrophobicContact CB-CE1 3.8Å; R21-F62 HydrophobicContact CB-CZ 4.32Å; R21-F62 HydrophobicContact CG-CE1 3.83Å; R21-F62 HydrophobicContact CG-CZ 3.83Å; R21-F62 PolarHBondContact NE-O 3.38Å; R21-F62 PolarHBondContact NH2-O 3.38Å; S25-F62 WeakPolarHBondContact OG-CD1 3.22Å; A58-F62 VanDerWaalsContact O-CB 3.25Å; A58-F62 WeakPolarHBondContact O-CB 3.43Å; A58-F62 PolarHBondContact O-N 2.81Å; L59-F62 PolarHBondContact O-N 2.79Å; A60-F62 VanDerWaalsContact C-N 3.34Å; A60-F62 PolarHBondContact O-N 3.18Å |
| 63 | N | 95.1 | Very high | 96.4 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -98.5 | -33.3 | 178.1 | -74.1 | -86.9 | 0 | 0 | 0 | 113.2 | R21 L22 S25 L59 A60 A61 | R21-N63 PolarHBondContact NH2-O 3.03Å; R21-N63 PolarHBondContact O-OD1 2.65Å; L22-N63 PolarHBondContact N-OD1 3.33Å; S25-N63 PolarHBondContact OG-ND2 3.47Å; L59-N63 PolarHBondContact O-N 3.18Å; L59-N63 PolarHBondContact O-ND2 3.11Å; A60-N63 PolarHBondContact O-N 3.2Å; A61-N63 VanDerWaalsContact C-N 3.27Å; A61-N63 PolarHBondContact O-N 3.02Å |
| 64 | F | 94.9 | Very high | 96.4 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -129.4 | 0.1 | -166 | -47.1 | -64.1 | 0 | 0 | 0 | 113.9 | A60 S66 Q67 I117 K118 W119 P122 L176 | A60-F64 WeakPolarHBondContact O-CD2 3.23Å; A60-F64 PolarHBondContact O-N 3.22Å; F64-S66 PolarHBondContact O-N 3.26Å; F64-Q67 HydrophobicContact CB-CB 4.27Å; F64-Q67 WeakPolarHBondContact O-CB 3.28Å; F64-Q67 PolarHBondContact O-N 2.89Å; F64-I117 HydrophobicContact CE1-CG2 4.31Å; F64-K118 VanDerWaalsContact CE1-O 3.32Å; F64-K118 WeakPolarHBondContact CE1-O 3.39Å; F64-W119 HydrophobicContact CB-CB 4.1Å; F64-W119 HydrophobicContact CD1-CB 4.16Å; F64-W119 HydrophobicContact CG-CB 4Å; F64-P122 HydrophobicContact CD2-CG 4.43Å; F64-P122 HydrophobicContact CE2-CG 3.57Å; F64-P122 HydrophobicContact CZ-CG 3.75Å; F64-L176 HydrophobicContact CE2-CD2 3.97Å; F64-L176 HydrophobicContact CZ-CD2 4.41Å |
| 65 | G | 94.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 36 Ų | 36 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | 57.3 | -133.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | A61 Q67 L68 | A61-G65 WeakPolarHBondContact O-CA 3.33Å; A61-G65 PolarHBondContact O-N 2.87Å; G65-Q67 PolarHBondContact O-N 3.48Å; G65-L68 WeakPolarHBondContact O-CD2 3.43Å; G65-L68 PolarHBondContact O-N 3.44Å |
| 66 | S | 93.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 66% | 0.664 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -60.2 | -28.7 | -178.7 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | F64 L68 Y69 | F64-S66 PolarHBondContact O-N 3.26Å; S66-L68 PolarHBondContact O-N 3.02Å; S66-Y69 WeakPolarHBondContact O-CD1 3.42Å; S66-Y69 PolarHBondContact O-N 3.2Å |
| 67 | Q | 94.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -61 | -9.1 | -175.6 | -57.7 | -65.4 | -7.9 | 0 | 0 | 114.4 | F64 G65 Y69 H70 W119 | F64-Q67 HydrophobicContact CB-CB 4.27Å; F64-Q67 WeakPolarHBondContact O-CB 3.28Å; F64-Q67 PolarHBondContact O-N 2.89Å; G65-Q67 PolarHBondContact O-N 3.48Å; Q67-Y69 PolarHBondContact O-N 2.82Å; Q67-Y69 VanDerWaalsContact O-N 3.12Å; Q67-H70 PolarHBondContact O-CD2 2.99Å; Q67-H70 PolarHBondContact O-N 3.1Å; Q67-H70 PolarHBondContact OE1-CD2 3Å; Q67-H70 PolarHBondContact OE1-NE2 2.88Å; Q67-H70 VanDerWaalsContact OE1-NE2 3.11Å; Q67-W119 HydrophobicContact CB-CB 4.05Å; Q67-W119 HydrophobicContact CB-CG 4.04Å |
| 68 | L | 93.2 | Very high | 96.5 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -56.8 | -23.5 | 171.3 | 75.2 | 89.1 | 0 | 0 | 0 | 113 | L57 A60 A61 G65 S66 H70 S71 A72 | L57-L68 HydrophobicContact CD2-CD1 4.07Å; A60-L68 HydrophobicContact CB-CB 3.86Å; A61-L68 HydrophobicContact CB-CD2 3.66Å; G65-L68 WeakPolarHBondContact O-CD2 3.43Å; G65-L68 PolarHBondContact O-N 3.44Å; S66-L68 PolarHBondContact O-N 3.02Å; L68-H70 PolarHBondContact O-N 3.24Å; L68-S71 PolarHBondContact O-N 2.99Å; L68-S71 VanDerWaalsContact O-N 3.09Å; L68-S71 PolarHBondContact O-OG 3.1Å; L68-A72 PolarHBondContact O-N 2.73Å |
| 69 | Y | 95.4 | Very high | 96.6 | Very high | 115 Ų | 115 | 37.8 Ų | 37.8 | 45% | 0.451 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.7 | -33.5 | 178.3 | 79.2 | -96.1 | 0 | 0 | 0 | 112.5 | S66 Q67 S71 A72 V73 | S66-Y69 WeakPolarHBondContact O-CD1 3.42Å; S66-Y69 PolarHBondContact O-N 3.2Å; Q67-Y69 PolarHBondContact O-N 2.82Å; Q67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-S71 VanDerWaalsContact C-N 3.32Å; Y69-S71 PolarHBondContact O-N 2.82Å; Y69-A72 PolarHBondContact O-N 2.79Å; Y69-A72 VanDerWaalsContact O-N 3.13Å; Y69-V73 HydrophobicContact CD2-CG2 4.48Å; Y69-V73 WeakPolarHBondContact O-CB 3.25Å; Y69-V73 WeakPolarHBondContact O-CG2 3.45Å; Y69-V73 PolarHBondContact O-N 3.29Å |
| 70 | H | 97.5 | Very high | 96.6 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 11% | 0.106 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 177 | -73.7 | -64.9 | 0 | 0 | 0 | 111.8 | Q67 L68 C74 Y102 W119 | Q67-H70 PolarHBondContact O-CD2 2.99Å; Q67-H70 PolarHBondContact O-N 3.1Å; Q67-H70 PolarHBondContact OE1-CD2 3Å; Q67-H70 PolarHBondContact OE1-NE2 2.88Å; Q67-H70 VanDerWaalsContact OE1-NE2 3.11Å; L68-H70 PolarHBondContact O-N 3.24Å; H70-C74 PolarHBondContact O-N 3.36Å; H70-C74 PolarHBondContact O-SG 3.3Å; H70-Y102 HydrophobicContact CB-CE1 4.03Å; H70-Y102 AromaticContact ND1-CE1 3.49Å; H70-Y102 WeakPolarHBondContact ND1-CE1 3.28Å; H70-Y102 AromaticContact ND1-CZ 3.63Å; H70-Y102 PolarHBondContact ND1-OH 2.99Å; H70-W119 HydrophobicContact CB-CD2 4.08Å; H70-W119 HydrophobicContact CB-CE3 3.58Å; H70-W119 HydrophobicContact CB-CH2 3.87Å; H70-W119 HydrophobicContact CB-CZ2 4.31Å; H70-W119 HydrophobicContact CB-CZ3 3.47Å; H70-W119 VanDerWaalsContact CB-CZ3 3.47Å; H70-W119 AromaticContact CD2-CD2 3.55Å; H70-W119 AromaticContact CD2-CE2 3.26Å; H70-W119 AromaticContact CD2-CE3 3.99Å; H70-W119 AromaticContact CD2-CH2 3.95Å; H70-W119 AromaticContact CD2-CZ2 3.49Å; H70-W119 VanDerWaalsContact CD2-CZ2 3.49Å; H70-W119 WeakPolarHBondContact CD2-CZ2 3.39Å; H70-W119 AromaticContact CD2-NE1 3.58Å; H70-W119 AromaticContact CE1-CZ2 3.75Å; H70-W119 AromaticContact CG-CD2 3.98Å; H70-W119 AromaticContact CG-CE2 3.83Å; H70-W119 AromaticContact CG-CE3 3.93Å; H70-W119 AromaticContact CG-CH2 3.65Å; H70-W119 AromaticContact CG-CZ2 3.68Å; H70-W119 AromaticContact CG-CZ3 3.78Å; H70-W119 AromaticContact ND1-CH2 3.83Å; H70-W119 AromaticContact ND1-CZ2 3.85Å; H70-W119 AromaticContact NE2-CE2 3.56Å; H70-W119 AromaticContact NE2-CZ2 3.54Å; H70-W119 AromaticContact NE2-NE1 3.68Å |
| 71 | S | 97.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.2 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | L68 Y69 V73 C74 V75 Y170 | L68-S71 PolarHBondContact O-N 2.99Å; L68-S71 VanDerWaalsContact O-N 3.09Å; L68-S71 PolarHBondContact O-OG 3.1Å; Y69-S71 VanDerWaalsContact C-N 3.32Å; Y69-S71 PolarHBondContact O-N 2.82Å; S71-V73 PolarHBondContact O-N 3.03Å; S71-C74 PolarHBondContact O-N 3.07Å; S71-V75 VanDerWaalsContact O-CG2 3.23Å; S71-V75 WeakPolarHBondContact O-CG2 3.24Å; S71-V75 PolarHBondContact O-N 3.21Å; S71-Y170 VanDerWaalsContact C-OH 3.26Å; S71-Y170 WeakPolarHBondContact CB-OH 3.38Å; S71-Y170 PolarHBondContact OG-OH 2.99Å |
| 72 | A | 97.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 40 Ų | 40 | 21% | 0.207 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L68 Y69 V75 F76 F166 Y170 | L68-A72 PolarHBondContact O-N 2.73Å; Y69-A72 PolarHBondContact O-N 2.79Å; Y69-A72 VanDerWaalsContact O-N 3.13Å; A72-V75 PolarHBondContact O-N 3.34Å; A72-F76 WeakPolarHBondContact O-CB 3.41Å; A72-F76 PolarHBondContact O-N 3.27Å; A72-F166 HydrophobicContact CB-CE1 4.48Å; A72-Y170 WeakPolarHBondContact CA-OH 3.44Å; A72-Y170 PolarHBondContact N-OH 3.25Å |
| 73 | V | 98.2 | Very high | 96.9 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.3 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | Y69 S71 V75 F76 V77 | Y69-V73 HydrophobicContact CD2-CG2 4.48Å; Y69-V73 WeakPolarHBondContact O-CB 3.25Å; Y69-V73 WeakPolarHBondContact O-CG2 3.45Å; Y69-V73 PolarHBondContact O-N 3.29Å; S71-V73 PolarHBondContact O-N 3.03Å; V73-V75 PolarHBondContact O-N 3.07Å; V73-F76 PolarHBondContact O-N 3.43Å; V73-V77 HydrophobicContact CG1-CG2 4.22Å; V73-V77 WeakPolarHBondContact O-CB 3.37Å; V73-V77 VanDerWaalsContact O-CG2 3.31Å; V73-V77 WeakPolarHBondContact O-CG2 2.93Å; V73-V77 PolarHBondContact O-N 2.72Å |
| 74 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | -178.5 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | H70 S71 Q78 Q99 Y102 H123 L130 | H70-C74 PolarHBondContact O-N 3.36Å; H70-C74 PolarHBondContact O-SG 3.3Å; S71-C74 PolarHBondContact O-N 3.07Å; C74-Q78 VanDerWaalsContact O-CB 3.28Å; C74-Q78 WeakPolarHBondContact O-CB 3.4Å; C74-Q78 PolarHBondContact O-N 3.37Å; C74-Q99 PolarHBondContact O-NE2 3.38Å; C74-Y102 WeakPolarHBondContact SG-CD1 3.3Å; C74-Y102 VanDerWaalsContact SG-CG 3.58Å; C74-H123 VanDerWaalsContact SG-CE1 3.57Å; C74-L130 HydrophobicContact CB-CD1 4.08Å |
| 75 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | S71 A72 V73 Q78 F79 L126 L130 V165 F166 S169 Y170 | S71-V75 VanDerWaalsContact O-CG2 3.23Å; S71-V75 WeakPolarHBondContact O-CG2 3.24Å; S71-V75 PolarHBondContact O-N 3.21Å; A72-V75 PolarHBondContact O-N 3.34Å; V73-V75 PolarHBondContact O-N 3.07Å; V75-Q78 PolarHBondContact O-N 3.12Å; V75-F79 PolarHBondContact O-N 3.18Å; V75-F79 VanDerWaalsContact O-N 3.07Å; V75-L126 HydrophobicContact CG2-CD1 4.09Å; V75-L126 HydrophobicContact CG2-CD2 4.06Å; V75-L130 HydrophobicContact CG2-CD1 4.32Å; V75-L130 HydrophobicContact CG2-CD2 4.36Å; V75-V165 HydrophobicContact CG1-CG1 3.77Å; V75-F166 HydrophobicContact CB-CE1 4.46Å; V75-F166 HydrophobicContact CB-CE2 4.4Å; V75-F166 HydrophobicContact CB-CZ 4.25Å; V75-F166 HydrophobicContact CG1-CD1 4.06Å; V75-F166 HydrophobicContact CG1-CD2 3.62Å; V75-F166 HydrophobicContact CG1-CE1 4.1Å; V75-F166 HydrophobicContact CG1-CE2 3.66Å; V75-F166 HydrophobicContact CG1-CG 3.82Å; V75-F166 HydrophobicContact CG1-CZ 3.9Å; V75-S169 WeakPolarHBondContact CG2-OG 3.21Å; V75-Y170 HydrophobicContact CG2-CE2 4.25Å |
| 76 | F | 98.6 | Very high | 97.2 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -47.5 | 178.8 | -177.5 | -107.6 | 0 | 0 | 0 | 112.3 | A72 V73 Q78 F79 L80 L162 F166 | A72-F76 WeakPolarHBondContact O-CB 3.41Å; A72-F76 PolarHBondContact O-N 3.27Å; V73-F76 PolarHBondContact O-N 3.43Å; F76-Q78 VanDerWaalsContact C-N 3.27Å; F76-Q78 PolarHBondContact O-N 3.11Å; F76-F79 WeakPolarHBondContact O-CB 3.45Å; F76-F79 PolarHBondContact O-N 2.92Å; F76-F79 VanDerWaalsContact O-N 3.16Å; F76-L80 HydrophobicContact CD1-CD1 4.01Å; F76-L80 HydrophobicContact CD1-CG 4.45Å; F76-L80 HydrophobicContact CE1-CD1 3.5Å; F76-L80 HydrophobicContact CE1-CG 4.11Å; F76-L80 HydrophobicContact CZ-CD1 3.96Å; F76-L80 HydrophobicContact CZ-CD2 4.23Å; F76-L80 HydrophobicContact CZ-CG 4.2Å; F76-L80 PolarHBondContact O-N 3.18Å; F76-L162 HydrophobicContact CD2-CD1 4.08Å; F76-F166 HydrophobicContact CB-CE2 4.41Å; F76-F166 HydrophobicContact CB-CZ 4.37Å |
| 77 | V | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | V73 F79 L80 M81 F98 | V73-V77 HydrophobicContact CG1-CG2 4.22Å; V73-V77 WeakPolarHBondContact O-CB 3.37Å; V73-V77 VanDerWaalsContact O-CG2 3.31Å; V73-V77 WeakPolarHBondContact O-CG2 2.93Å; V73-V77 PolarHBondContact O-N 2.72Å; V77-F79 VanDerWaalsContact C-N 3.35Å; V77-F79 PolarHBondContact O-N 3.47Å; V77-L80 PolarHBondContact O-N 3.04Å; V77-M81 HydrophobicContact CG1-CE 3.77Å; V77-M81 HydrophobicContact CG1-CG 4.37Å; V77-M81 HydrophobicContact CG1-SD 4.29Å; V77-M81 WeakPolarHBondContact O-CG 3.18Å; V77-M81 PolarHBondContact O-N 2.94Å; V77-F98 HydrophobicContact CB-CE1 3.88Å; V77-F98 HydrophobicContact CB-CZ 3.99Å; V77-F98 HydrophobicContact CG1-CD1 3.89Å; V77-F98 HydrophobicContact CG1-CD2 4.4Å; V77-F98 HydrophobicContact CG1-CE1 3.59Å; V77-F98 HydrophobicContact CG1-CE2 4.13Å; V77-F98 HydrophobicContact CG1-CG 4.3Å; V77-F98 HydrophobicContact CG1-CZ 3.72Å; V77-F98 HydrophobicContact CG2-CE1 4.41Å; V77-F98 HydrophobicContact CG2-CZ 4.02Å |
| 78 | Q | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 176 | -172.5 | 61.5 | 43.3 | 0 | 0 | 111.8 | C74 V75 F76 L80 M81 L82 S95 L130 L133 | C74-Q78 VanDerWaalsContact O-CB 3.28Å; C74-Q78 WeakPolarHBondContact O-CB 3.4Å; C74-Q78 PolarHBondContact O-N 3.37Å; V75-Q78 PolarHBondContact O-N 3.12Å; F76-Q78 VanDerWaalsContact C-N 3.27Å; F76-Q78 PolarHBondContact O-N 3.11Å; Q78-L80 VanDerWaalsContact C-N 3.33Å; Q78-L80 PolarHBondContact O-N 3.36Å; Q78-M81 PolarHBondContact O-N 3.44Å; Q78-L82 HydrophobicContact CG-CD1 4.5Å; Q78-L82 WeakPolarHBondContact O-CG 3.37Å; Q78-L82 PolarHBondContact O-N 2.91Å; Q78-S95 VanDerWaalsContact CD-OG 3.23Å; Q78-S95 PolarHBondContact NE2-OG 2.79Å; Q78-S95 PolarHBondContact OE1-OG 3.3Å; Q78-L130 HydrophobicContact CB-CB 4.36Å; Q78-L130 HydrophobicContact CB-CD1 4.3Å; Q78-L130 HydrophobicContact CB-CD2 3.96Å; Q78-L130 HydrophobicContact CB-CG 4.42Å; Q78-L130 HydrophobicContact CG-CB 3.91Å; Q78-L130 HydrophobicContact CG-CD2 3.85Å; Q78-L130 HydrophobicContact CG-CG 4.33Å; Q78-L130 PolarHBondContact NE2-O 3.35Å; Q78-L133 HydrophobicContact CG-CD2 4.32Å |
| 79 | F | 98.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 176.1 | 167.6 | -98.3 | 0 | 0 | 0 | 112 | V75 F76 V77 M81 L82 R83 L162 V165 | V75-F79 PolarHBondContact O-N 3.18Å; V75-F79 VanDerWaalsContact O-N 3.07Å; F76-F79 WeakPolarHBondContact O-CB 3.45Å; F76-F79 PolarHBondContact O-N 2.92Å; F76-F79 VanDerWaalsContact O-N 3.16Å; V77-F79 VanDerWaalsContact C-N 3.35Å; V77-F79 PolarHBondContact O-N 3.47Å; F79-M81 PolarHBondContact O-N 3.14Å; F79-L82 PolarHBondContact O-N 2.87Å; F79-R83 WeakPolarHBondContact O-CB 3.34Å; F79-R83 PolarHBondContact O-N 3.15Å; F79-L162 HydrophobicContact CB-CD1 3.85Å; F79-L162 HydrophobicContact CD1-CB 4.4Å; F79-L162 HydrophobicContact CD1-CD1 3.6Å; F79-L162 HydrophobicContact CD2-CB 4.2Å; F79-L162 HydrophobicContact CD2-CD1 4.18Å; F79-L162 HydrophobicContact CE1-CB 4.2Å; F79-L162 HydrophobicContact CE1-CD1 4.15Å; F79-L162 HydrophobicContact CE2-CB 4.01Å; F79-L162 VanDerWaalsContact CE2-N 3.34Å; F79-L162 HydrophobicContact CG-CB 4.38Å; F79-L162 HydrophobicContact CG-CD1 3.59Å; F79-L162 HydrophobicContact CZ-CB 3.98Å; F79-V165 HydrophobicContact CB-CG1 4.41Å; F79-V165 HydrophobicContact CD2-CG2 4.25Å |
| 80 | L | 98.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 51 Ų | 51 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.6 | -67.3 | -177.9 | 0 | 0 | 0 | 111.8 | F76 V77 Q78 L82 R83 L84 | F76-L80 HydrophobicContact CD1-CD1 4.01Å; F76-L80 HydrophobicContact CD1-CG 4.45Å; F76-L80 HydrophobicContact CE1-CD1 3.5Å; F76-L80 HydrophobicContact CE1-CG 4.11Å; F76-L80 HydrophobicContact CZ-CD1 3.96Å; F76-L80 HydrophobicContact CZ-CD2 4.23Å; F76-L80 HydrophobicContact CZ-CG 4.2Å; F76-L80 PolarHBondContact O-N 3.18Å; V77-L80 PolarHBondContact O-N 3.04Å; Q78-L80 VanDerWaalsContact C-N 3.33Å; Q78-L80 PolarHBondContact O-N 3.36Å; L80-L82 PolarHBondContact O-N 3.39Å; L80-R83 PolarHBondContact O-N 2.93Å; L80-L84 HydrophobicContact CB-CD1 4.26Å; L80-L84 VanDerWaalsContact O-CB 3.26Å; L80-L84 WeakPolarHBondContact O-CB 3.38Å; L80-L84 VanDerWaalsContact O-CG 3.26Å; L80-L84 WeakPolarHBondContact O-CG 3.25Å; L80-L84 PolarHBondContact O-N 3.18Å |
| 81 | M | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 15% | 0.148 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 176.2 | -71.8 | -178.6 | 172.3 | 0 | 0 | 111.6 | V77 Q78 F79 R83 M85 S95 F98 | V77-M81 HydrophobicContact CG1-CE 3.77Å; V77-M81 HydrophobicContact CG1-CG 4.37Å; V77-M81 HydrophobicContact CG1-SD 4.29Å; V77-M81 WeakPolarHBondContact O-CG 3.18Å; V77-M81 PolarHBondContact O-N 2.94Å; Q78-M81 PolarHBondContact O-N 3.44Å; F79-M81 PolarHBondContact O-N 3.14Å; M81-R83 VanDerWaalsContact C-N 3.29Å; M81-R83 PolarHBondContact O-N 3.1Å; M81-M85 HydrophobicContact CB-SD 4.19Å; M81-M85 HydrophobicContact CG-SD 4.14Å; M81-M85 VanDerWaalsContact O-CB 3.22Å; M81-M85 WeakPolarHBondContact O-CB 3.44Å; M81-M85 PolarHBondContact O-N 3.02Å; M81-S95 VanDerWaalsContact SD-CA 3.59Å; M81-F98 HydrophobicContact CE-CB 3.6Å; M81-F98 HydrophobicContact CE-CD1 4.26Å; M81-F98 HydrophobicContact CE-CD2 4.35Å; M81-F98 HydrophobicContact CE-CG 3.81Å |
| 82 | L | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.8 | -62.7 | 171.4 | 0 | 0 | 0 | 111.9 | Q78 F79 L80 G86 L133 A134 F137 V159 | Q78-L82 HydrophobicContact CG-CD1 4.5Å; Q78-L82 WeakPolarHBondContact O-CG 3.37Å; Q78-L82 PolarHBondContact O-N 2.91Å; F79-L82 PolarHBondContact O-N 2.87Å; L80-L82 PolarHBondContact O-N 3.39Å; L82-G86 WeakPolarHBondContact O-CA 3.36Å; L82-G86 PolarHBondContact O-N 2.85Å; L82-L133 HydrophobicContact CD1-CD1 4.26Å; L82-L133 HydrophobicContact CD1-CD2 3.67Å; L82-L133 HydrophobicContact CD1-CG 3.75Å; L82-A134 HydrophobicContact CD2-CB 4.26Å; L82-F137 HydrophobicContact CB-CD1 4.42Å; L82-F137 HydrophobicContact CD2-CB 4.11Å; L82-F137 HydrophobicContact CD2-CD1 3.77Å; L82-F137 HydrophobicContact CD2-CG 4.27Å; L82-V159 HydrophobicContact CB-CG2 4.01Å |
| 83 | R | 97.6 | Very high | 97.7 | Very high | 168 Ų | 168 | 54 Ų | 54 | 63% | 0.634 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -80.1 | -37 | -174.7 | -170 | 155.5 | -175.6 | 156.1 | -2.2 | 113.8 | F79 L80 M81 | F79-R83 WeakPolarHBondContact O-CB 3.34Å; F79-R83 PolarHBondContact O-N 3.15Å; L80-R83 PolarHBondContact O-N 2.93Å; M81-R83 VanDerWaalsContact C-N 3.29Å; M81-R83 PolarHBondContact O-N 3.1Å |
| 84 | L | 97.8 | Very high | 97.7 | Very high | 138 Ų | 138 | 53.1 Ų | 53.1 | 72% | 0.723 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -90.9 | -33.9 | -175 | -60.6 | 176.8 | 0 | 0 | 0 | 112.6 | L80 | L80-L84 HydrophobicContact CB-CD1 4.26Å; L80-L84 VanDerWaalsContact O-CB 3.26Å; L80-L84 WeakPolarHBondContact O-CB 3.38Å; L80-L84 VanDerWaalsContact O-CG 3.26Å; L80-L84 WeakPolarHBondContact O-CG 3.25Å; L80-L84 PolarHBondContact O-N 3.18Å |
| 85 | M | 97.5 | Very high | 97.7 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -98.7 | -14.3 | -177 | -51.9 | 177.3 | 74.6 | 0 | 0 | 113.1 | M81 T88 T90 S94 | M81-M85 HydrophobicContact CB-SD 4.19Å; M81-M85 HydrophobicContact CG-SD 4.14Å; M81-M85 VanDerWaalsContact O-CB 3.22Å; M81-M85 WeakPolarHBondContact O-CB 3.44Å; M81-M85 PolarHBondContact O-N 3.02Å; M85-T88 VanDerWaalsContact O-CG2 3.27Å; M85-T88 WeakPolarHBondContact O-CG2 3.38Å; M85-T88 PolarHBondContact O-OG1 3.05Å; M85-T90 HydrophobicContact CE-CG2 3.7Å; M85-S94 VanDerWaalsContact CE-OG 3.23Å; M85-S94 WeakPolarHBondContact CE-OG 3.46Å |
| 86 | G | 93.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | trans | 61.2 | -153.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | L82 T88 | L82-G86 WeakPolarHBondContact O-CA 3.36Å; L82-G86 PolarHBondContact O-N 2.85Å; G86-T88 PolarHBondContact O-N 3.26Å | ||
| 87 | R | 95.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -86.2 | 54.8 | -178.1 | -62 | -175.3 | 170.2 | 147.7 | -3 | 112.4 | F137 Y138 G140 L156 P157 | R87-F137 WeakPolarHBondContact CD-O 3.22Å; R87-F137 HydrophobicContact CG-CD1 4.02Å; R87-F137 HydrophobicContact CG-CD2 4.28Å; R87-F137 HydrophobicContact CG-CE1 3.67Å; R87-F137 HydrophobicContact CG-CE2 3.92Å; R87-F137 HydrophobicContact CG-CG 4.33Å; R87-F137 HydrophobicContact CG-CZ 3.6Å; R87-F137 WeakPolarHBondContact CG-O 3.35Å; R87-F137 PolarHBondContact NE-O 3.42Å; R87-Y138 WeakPolarHBondContact O-CD2 3.22Å; R87-Y138 WeakPolarHBondContact O-CE2 3.4Å; R87-G140 PolarHBondContact NH1-O 2.96Å; R87-G140 PolarHBondContact NH2-O 3.35Å; R87-L156 PolarHBondContact NH2-O 3.15Å; R87-P157 VanDerWaalsContact NH2-CA 3.32Å; R87-P157 PolarHBondContact NH2-O 3.08Å |
| 88 | T | 96.8 | Very high | 97.7 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | trans | -106.5 | 152.8 | -178.5 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | M85 G86 T90 G91 V92 | M85-T88 VanDerWaalsContact O-CG2 3.27Å; M85-T88 WeakPolarHBondContact O-CG2 3.38Å; M85-T88 PolarHBondContact O-OG1 3.05Å; G86-T88 PolarHBondContact O-N 3.26Å; T88-T90 PolarHBondContact O-N 3.33Å; T88-G91 PolarHBondContact O-N 3.34Å; T88-G91 VanDerWaalsContact O-N 3.14Å; T88-G91 PolarHBondContact OG1-N 2.98Å; T88-V92 PolarHBondContact O-N 2.93Å; T88-V92 VanDerWaalsContact O-N 3.17Å | ||
| 89 | V | 96.5 | Very high | 97.7 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | G91 V92 L93 Y138 | V89-G91 PolarHBondContact O-N 3.25Å; V89-V92 PolarHBondContact O-N 3.15Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 HydrophobicContact CG1-CG 4.18Å; V89-L93 WeakPolarHBondContact O-CG 3.45Å; V89-L93 PolarHBondContact O-N 2.87Å; V89-Y138 HydrophobicContact CG2-CE2 3.98Å; V89-Y138 WeakPolarHBondContact CG2-OH 3.46Å |
| 90 | T | 97.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.8 | -47 | 173.6 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | M85 T88 V92 L93 S94 | M85-T90 HydrophobicContact CE-CG2 3.7Å; T88-T90 PolarHBondContact O-N 3.33Å; T90-V92 VanDerWaalsContact C-N 3.33Å; T90-V92 PolarHBondContact O-N 3.12Å; T90-L93 PolarHBondContact O-N 2.68Å; T90-S94 WeakPolarHBondContact O-CB 3.47Å; T90-S94 PolarHBondContact O-N 3.46Å; T90-S94 PolarHBondContact O-OG 3.05Å; T90-S94 VanDerWaalsContact O-OG 3.1Å |
| 91 | G | 97.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T88 V89 S95 | T88-G91 PolarHBondContact O-N 3.34Å; T88-G91 VanDerWaalsContact O-N 3.14Å; T88-G91 PolarHBondContact OG1-N 2.98Å; V89-G91 PolarHBondContact O-N 3.25Å; G91-S95 WeakPolarHBondContact O-CB 3.12Å; G91-S95 PolarHBondContact O-N 2.99Å |
| 92 | V | 98.1 | Very high | 97.6 | Very high | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | T88 V89 T90 S95 F96 F135 Y138 | T88-V92 PolarHBondContact O-N 2.93Å; T88-V92 VanDerWaalsContact O-N 3.17Å; V89-V92 PolarHBondContact O-N 3.15Å; T90-V92 VanDerWaalsContact C-N 3.33Å; T90-V92 PolarHBondContact O-N 3.12Å; V92-S95 PolarHBondContact O-N 3.38Å; V92-F96 WeakPolarHBondContact O-CB 3.47Å; V92-F96 PolarHBondContact O-N 3.06Å; V92-F135 HydrophobicContact CG1-CD1 3.54Å; V92-F135 HydrophobicContact CG1-CD2 4.41Å; V92-F135 HydrophobicContact CG1-CE1 3.25Å; V92-F135 HydrophobicContact CG1-CE2 4.17Å; V92-F135 HydrophobicContact CG1-CG 4.12Å; V92-F135 HydrophobicContact CG1-CZ 3.6Å; V92-Y138 HydrophobicContact CG2-CD1 4.44Å; V92-Y138 HydrophobicContact CG2-CD2 4.13Å; V92-Y138 HydrophobicContact CG2-CG 3.79Å |
| 93 | L | 98 | Very high | 97.6 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | -178.9 | -68.6 | 178.9 | 0 | 0 | 0 | 112.5 | V89 T90 T97 | V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 HydrophobicContact CG1-CG 4.18Å; V89-L93 WeakPolarHBondContact O-CG 3.45Å; V89-L93 PolarHBondContact O-N 2.87Å; T90-L93 PolarHBondContact O-N 2.68Å; L93-T97 VanDerWaalsContact O-CB 3.23Å; L93-T97 WeakPolarHBondContact O-CB 3.36Å; L93-T97 PolarHBondContact O-N 2.92Å; L93-T97 PolarHBondContact O-OG1 3.4Å |
| 94 | S | 98.3 | Very high | 97.6 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | M85 T90 F98 | M85-S94 VanDerWaalsContact CE-OG 3.23Å; M85-S94 WeakPolarHBondContact CE-OG 3.46Å; T90-S94 WeakPolarHBondContact O-CB 3.47Å; T90-S94 PolarHBondContact O-N 3.46Å; T90-S94 PolarHBondContact O-OG 3.05Å; T90-S94 VanDerWaalsContact O-OG 3.1Å; S94-F98 WeakPolarHBondContact O-CB 3.33Å; S94-F98 PolarHBondContact O-N 2.81Å |
| 95 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | Q78 M81 G91 V92 T97 F98 Q99 A134 | Q78-S95 VanDerWaalsContact CD-OG 3.23Å; Q78-S95 PolarHBondContact NE2-OG 2.79Å; Q78-S95 PolarHBondContact OE1-OG 3.3Å; M81-S95 VanDerWaalsContact SD-CA 3.59Å; G91-S95 WeakPolarHBondContact O-CB 3.12Å; G91-S95 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-N 3.38Å; S95-T97 PolarHBondContact O-N 3.4Å; S95-F98 PolarHBondContact O-N 2.96Å; S95-Q99 WeakPolarHBondContact O-CB 3.27Å; S95-Q99 WeakPolarHBondContact O-CG 3.45Å; S95-Q99 PolarHBondContact O-N 2.83Å; S95-A134 WeakPolarHBondContact OG-CB 3.26Å |
| 96 | F | 98.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 25% | 0.254 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.6 | -52.5 | 178.1 | -169.5 | -78.1 | 0 | 0 | 0 | 111.7 | V92 M100 I131 F135 F346 | V92-F96 WeakPolarHBondContact O-CB 3.47Å; V92-F96 PolarHBondContact O-N 3.06Å; F96-M100 HydrophobicContact CD1-CG 4.05Å; F96-M100 HydrophobicContact CE1-CG 3.75Å; F96-M100 HydrophobicContact CZ-CG 4.16Å; F96-M100 WeakPolarHBondContact O-CB 3.41Å; F96-M100 VanDerWaalsContact O-CG 3.31Å; F96-M100 WeakPolarHBondContact O-CG 3.44Å; F96-M100 PolarHBondContact O-N 2.85Å; F96-I131 HydrophobicContact CD2-CD1 4.11Å; F96-I131 HydrophobicContact CD2-CG2 3.55Å; F96-I131 HydrophobicContact CE2-CD1 4.42Å; F96-I131 HydrophobicContact CE2-CG2 4.18Å; F96-I131 HydrophobicContact CG-CD1 4.41Å; F96-I131 HydrophobicContact CG-CG2 4.42Å; F96-F135 HydrophobicContact CD2-CE2 4.18Å; F96-F346 HydrophobicContact CE2-CD2 4.41Å; F96-F346 HydrophobicContact CE2-CE2 4.01Å; F96-F346 AromaticContact CZ-CD2 3.81Å; F96-F346 HydrophobicContact CZ-CD2 3.81Å; F96-F346 AromaticContact CZ-CE2 3.69Å; F96-F346 HydrophobicContact CZ-CE2 3.69Å |
| 97 | T | 98.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 44% | 0.442 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -49.3 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | L93 S95 L101 | L93-T97 VanDerWaalsContact O-CB 3.23Å; L93-T97 WeakPolarHBondContact O-CB 3.36Å; L93-T97 PolarHBondContact O-N 2.92Å; L93-T97 PolarHBondContact O-OG1 3.4Å; S95-T97 PolarHBondContact O-N 3.4Å; T97-L101 HydrophobicContact CG2-CD1 3.59Å; T97-L101 HydrophobicContact CG2-CG 4.17Å; T97-L101 VanDerWaalsContact O-CB 3.27Å; T97-L101 WeakPolarHBondContact O-CB 3.5Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 2.85Å |
| 98 | F | 98.6 | Very high | 97.5 | Very high | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | -179.1 | 174 | -93.9 | 0 | 0 | 0 | 111.9 | V77 M81 S94 S95 M100 L101 Y102 | V77-F98 HydrophobicContact CB-CE1 3.88Å; V77-F98 HydrophobicContact CB-CZ 3.99Å; V77-F98 HydrophobicContact CG1-CD1 3.89Å; V77-F98 HydrophobicContact CG1-CD2 4.4Å; V77-F98 HydrophobicContact CG1-CE1 3.59Å; V77-F98 HydrophobicContact CG1-CE2 4.13Å; V77-F98 HydrophobicContact CG1-CG 4.3Å; V77-F98 HydrophobicContact CG1-CZ 3.72Å; V77-F98 HydrophobicContact CG2-CE1 4.41Å; V77-F98 HydrophobicContact CG2-CZ 4.02Å; M81-F98 HydrophobicContact CE-CB 3.6Å; M81-F98 HydrophobicContact CE-CD1 4.26Å; M81-F98 HydrophobicContact CE-CD2 4.35Å; M81-F98 HydrophobicContact CE-CG 3.81Å; S94-F98 WeakPolarHBondContact O-CB 3.33Å; S94-F98 PolarHBondContact O-N 2.81Å; S95-F98 PolarHBondContact O-N 2.96Å; F98-M100 PolarHBondContact O-N 3.3Å; F98-L101 PolarHBondContact O-N 2.99Å; F98-Y102 HydrophobicContact CE1-CD2 4.48Å; F98-Y102 HydrophobicContact CE2-CD2 4.24Å; F98-Y102 AromaticContact CZ-CD2 3.86Å; F98-Y102 HydrophobicContact CZ-CD2 3.86Å; F98-Y102 HydrophobicContact CZ-CE2 4.43Å; F98-Y102 WeakPolarHBondContact O-CB 3.37Å; F98-Y102 PolarHBondContact O-N 3.48Å |
| 99 | Q | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | -176.1 | -60.3 | -64.4 | -17.1 | 0 | 0 | 111.2 | C74 S95 L103 T127 L130 I131 | C74-Q99 PolarHBondContact O-NE2 3.38Å; S95-Q99 WeakPolarHBondContact O-CB 3.27Å; S95-Q99 WeakPolarHBondContact O-CG 3.45Å; S95-Q99 PolarHBondContact O-N 2.83Å; Q99-L103 WeakPolarHBondContact O-CB 3.36Å; Q99-L103 PolarHBondContact O-N 2.79Å; Q99-T127 HydrophobicContact CB-CG2 4.01Å; Q99-L130 HydrophobicContact CG-CB 4.14Å; Q99-I131 HydrophobicContact CB-CD1 4Å; Q99-I131 HydrophobicContact CB-CG1 3.78Å; Q99-I131 HydrophobicContact CG-CG1 4.08Å |
| 100 | M | 98.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 175.4 | -72.2 | -59.5 | -60.7 | 0 | 0 | 112.1 | F96 F98 Y102 L103 L104 T127 I131 F346 I349 W350 | F96-M100 HydrophobicContact CD1-CG 4.05Å; F96-M100 HydrophobicContact CE1-CG 3.75Å; F96-M100 HydrophobicContact CZ-CG 4.16Å; F96-M100 WeakPolarHBondContact O-CB 3.41Å; F96-M100 VanDerWaalsContact O-CG 3.31Å; F96-M100 WeakPolarHBondContact O-CG 3.44Å; F96-M100 PolarHBondContact O-N 2.85Å; F98-M100 PolarHBondContact O-N 3.3Å; M100-Y102 VanDerWaalsContact C-N 3.31Å; M100-Y102 PolarHBondContact O-N 2.99Å; M100-L103 PolarHBondContact O-N 3.34Å; M100-L104 WeakPolarHBondContact O-CB 3.43Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.29Å; M100-L104 PolarHBondContact O-N 2.89Å; M100-T127 HydrophobicContact SD-CG2 3.94Å; M100-I131 HydrophobicContact CG-CD1 3.89Å; M100-I131 HydrophobicContact SD-CD1 4.09Å; M100-F346 HydrophobicContact CE-CE2 4.24Å; M100-F346 HydrophobicContact SD-CE2 3.94Å; M100-I349 HydrophobicContact CE-CG2 3.92Å; M100-W350 HydrophobicContact CE-CB 4.3Å |
| 101 | L | 98.4 | Very high | 96.4 | Very high | 109 Ų | 109 | 51.2 Ų | 51.2 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 178.6 | -73.1 | 176.9 | 0 | 0 | 0 | 111.8 | T97 F98 L104 A105 | T97-L101 HydrophobicContact CG2-CD1 3.59Å; T97-L101 HydrophobicContact CG2-CG 4.17Å; T97-L101 VanDerWaalsContact O-CB 3.27Å; T97-L101 WeakPolarHBondContact O-CB 3.5Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 2.85Å; F98-L101 PolarHBondContact O-N 2.99Å; L101-L104 PolarHBondContact O-N 2.95Å; L101-A105 VanDerWaalsContact O-CB 3.27Å; L101-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 PolarHBondContact O-N 2.69Å |
| 102 | Y | 98.4 | Very high | 95.6 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 177.7 | -156.1 | -75.7 | 0 | 0 | 0 | 111.5 | H70 C74 F98 M100 A105 G106 W119 H123 | H70-Y102 HydrophobicContact CB-CE1 4.03Å; H70-Y102 AromaticContact ND1-CE1 3.49Å; H70-Y102 WeakPolarHBondContact ND1-CE1 3.28Å; H70-Y102 AromaticContact ND1-CZ 3.63Å; H70-Y102 PolarHBondContact ND1-OH 2.99Å; C74-Y102 WeakPolarHBondContact SG-CD1 3.3Å; C74-Y102 VanDerWaalsContact SG-CG 3.58Å; F98-Y102 HydrophobicContact CE1-CD2 4.48Å; F98-Y102 HydrophobicContact CE2-CD2 4.24Å; F98-Y102 AromaticContact CZ-CD2 3.86Å; F98-Y102 HydrophobicContact CZ-CD2 3.86Å; F98-Y102 HydrophobicContact CZ-CE2 4.43Å; F98-Y102 WeakPolarHBondContact O-CB 3.37Å; F98-Y102 PolarHBondContact O-N 3.48Å; M100-Y102 VanDerWaalsContact C-N 3.31Å; M100-Y102 PolarHBondContact O-N 2.99Å; Y102-A105 PolarHBondContact O-N 2.89Å; Y102-G106 PolarHBondContact O-N 2.96Å; Y102-W119 HydrophobicContact CD1-CH2 4.37Å; Y102-W119 HydrophobicContact CE1-CH2 4.08Å; Y102-W119 HydrophobicContact CE1-CZ3 4.44Å; Y102-H123 AromaticContact CD1-NE2 3.82Å |
| 103 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 175 | 178.8 | 64.3 | 0 | 0 | 0 | 111.7 | Q99 M100 A105 G106 Y107 H123 C124 T127 | Q99-L103 WeakPolarHBondContact O-CB 3.36Å; Q99-L103 PolarHBondContact O-N 2.79Å; M100-L103 PolarHBondContact O-N 3.34Å; L103-A105 PolarHBondContact O-N 3.48Å; L103-G106 CarbonylContact O-C 3.6Å; L103-G106 WeakPolarHBondContact O-CA 3.14Å; L103-G106 PolarHBondContact O-N 3.34Å; L103-G106 VanDerWaalsContact O-N 3.13Å; L103-Y107 HydrophobicContact CD1-CD2 4.46Å; L103-Y107 HydrophobicContact CD1-CE1 4.15Å; L103-Y107 HydrophobicContact CD1-CE2 3.82Å; L103-Y107 HydrophobicContact CD2-CE2 3.88Å; L103-Y107 HydrophobicContact CG-CD2 4.1Å; L103-Y107 HydrophobicContact CG-CE2 3.54Å; L103-Y107 PolarHBondContact O-N 2.71Å; L103-H123 HydrophobicContact CD1-CB 4.5Å; L103-C124 HydrophobicContact CD1-CB 4Å; L103-C124 HydrophobicContact CD2-CB 4.08Å; L103-T127 HydrophobicContact CB-CG2 4.4Å; L103-T127 HydrophobicContact CD2-CG2 3.99Å |
| 104 | L | 97.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 179.9 | -68.3 | -179.8 | 0 | 0 | 0 | 112.3 | M100 L101 G106 Y107 Y108 I349 L353 | M100-L104 WeakPolarHBondContact O-CB 3.43Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.29Å; M100-L104 PolarHBondContact O-N 2.89Å; L101-L104 PolarHBondContact O-N 2.95Å; L104-G106 VanDerWaalsContact C-N 3.33Å; L104-Y107 HydrophobicContact CD2-CD2 4.15Å; L104-Y107 PolarHBondContact O-N 2.98Å; L104-Y108 WeakPolarHBondContact O-CB 3.24Å; L104-Y108 PolarHBondContact O-N 3.38Å; L104-I349 HydrophobicContact CD1-CG2 3.84Å; L104-I349 HydrophobicContact CD2-CG2 3.9Å; L104-I349 VanDerWaalsContact CD2-O 3.32Å; L104-I349 WeakPolarHBondContact CD2-O 3.45Å; L104-I349 HydrophobicContact CG-CG2 4.39Å; L104-L353 HydrophobicContact CD2-CD2 3.91Å; L104-L353 HydrophobicContact CD2-CG 4.44Å |
| 105 | A | 97.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L101 Y102 L103 Y107 Y108 Y109 | L101-A105 VanDerWaalsContact O-CB 3.27Å; L101-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 PolarHBondContact O-N 2.69Å; Y102-A105 PolarHBondContact O-N 2.89Å; L103-A105 PolarHBondContact O-N 3.48Å; A105-Y107 VanDerWaalsContact C-N 3.33Å; A105-Y107 PolarHBondContact O-N 3.43Å; A105-Y108 PolarHBondContact O-N 3.41Å; A105-Y108 VanDerWaalsContact O-N 3.17Å; A105-Y109 HydrophobicContact CB-CD2 4.39Å; A105-Y109 HydrophobicContact CB-CE2 4.39Å; A105-Y109 WeakPolarHBondContact O-CD2 3.34Å; A105-Y109 PolarHBondContact O-N 3.41Å |
| 106 | G | 95.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.5 | -47.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y102 L103 L104 T110 | Y102-G106 PolarHBondContact O-N 2.96Å; L103-G106 CarbonylContact O-C 3.6Å; L103-G106 WeakPolarHBondContact O-CA 3.14Å; L103-G106 PolarHBondContact O-N 3.34Å; L103-G106 VanDerWaalsContact O-N 3.13Å; L104-G106 VanDerWaalsContact C-N 3.33Å; G106-T110 WeakPolarHBondContact O-CB 3.45Å; G106-T110 WeakPolarHBondContact O-CG2 3.47Å; G106-T110 PolarHBondContact O-N 3.03Å; G106-T110 PolarHBondContact O-OG1 2.85Å |
| 107 | Y | 94.8 | Very high | 90.2 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 174.4 | -68.1 | -39.4 | 0 | 0 | 0 | 112.5 | L103 L104 A105 Y109 T110 A111 T120 C124 W350 | L103-Y107 HydrophobicContact CD1-CD2 4.46Å; L103-Y107 HydrophobicContact CD1-CE1 4.15Å; L103-Y107 HydrophobicContact CD1-CE2 3.82Å; L103-Y107 HydrophobicContact CD2-CE2 3.88Å; L103-Y107 HydrophobicContact CG-CD2 4.1Å; L103-Y107 HydrophobicContact CG-CE2 3.54Å; L103-Y107 PolarHBondContact O-N 2.71Å; L104-Y107 HydrophobicContact CD2-CD2 4.15Å; L104-Y107 PolarHBondContact O-N 2.98Å; A105-Y107 VanDerWaalsContact C-N 3.33Å; A105-Y107 PolarHBondContact O-N 3.43Å; Y107-Y109 PolarHBondContact O-N 3.26Å; Y107-T110 CarbonylContact O-C 3.45Å; Y107-T110 PolarHBondContact O-N 2.95Å; Y107-A111 WeakPolarHBondContact O-CA 3.43Å; Y107-A111 VanDerWaalsContact O-CB 3.23Å; Y107-A111 WeakPolarHBondContact O-CB 3.31Å; Y107-A111 PolarHBondContact O-N 3.25Å; Y107-T120 HydrophobicContact CD1-CG2 4.23Å; Y107-C124 WeakPolarHBondContact OH-CB 3.39Å; Y107-W350 WeakPolarHBondContact CE2-O 3.37Å; Y107-W350 PolarHBondContact OH-O 3.39Å |
| 108 | Y | 94.1 | Very high | 89.9 | Confident | 160 Ų | 160 | 64.1 Ų | 64.1 | 63% | 0.627 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.1 | -47.9 | 179.9 | -179.2 | -97.2 | 0 | 0 | 0 | 112.5 | L104 A105 T110 L353 | L104-Y108 WeakPolarHBondContact O-CB 3.24Å; L104-Y108 PolarHBondContact O-N 3.38Å; A105-Y108 PolarHBondContact O-N 3.41Å; A105-Y108 VanDerWaalsContact O-N 3.17Å; Y108-T110 VanDerWaalsContact C-N 3.28Å; Y108-T110 PolarHBondContact O-N 3.43Å; Y108-L353 HydrophobicContact CD2-CD1 4.37Å |
| 109 | Y | 93.6 | Very high | 89.7 | Confident | 187 Ų | 187 | 62.5 Ų | 62.5 | 73% | 0.733 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -77.1 | -13.7 | -177.9 | -72.1 | -65.8 | 0 | 0 | 0 | 114.2 | A105 Y107 | A105-Y109 HydrophobicContact CB-CD2 4.39Å; A105-Y109 HydrophobicContact CB-CE2 4.39Å; A105-Y109 WeakPolarHBondContact O-CD2 3.34Å; A105-Y109 PolarHBondContact O-N 3.41Å; Y107-Y109 PolarHBondContact O-N 3.26Å |
| 110 | T | 89.8 | Confident | 89.5 | Confident | 32 Ų | 32 | 63 Ų | 63 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -120.2 | 8 | -179 | 69 | 0 | 0 | 0 | 0 | 113.3 | G106 Y107 Y108 T112 K118 | G106-T110 WeakPolarHBondContact O-CB 3.45Å; G106-T110 WeakPolarHBondContact O-CG2 3.47Å; G106-T110 PolarHBondContact O-N 3.03Å; G106-T110 PolarHBondContact O-OG1 2.85Å; Y107-T110 CarbonylContact O-C 3.45Å; Y107-T110 PolarHBondContact O-N 2.95Å; Y108-T110 VanDerWaalsContact C-N 3.28Å; Y108-T110 PolarHBondContact O-N 3.43Å; T110-T112 PolarHBondContact O-N 3.16Å; T110-K118 WeakPolarHBondContact O-CE 3.29Å; T110-K118 PolarHBondContact O-NZ 3.07Å |
| 111 | A | 83.2 | Confident | 89.3 | Confident | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | trans | -62 | 135.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y107 | Y107-A111 WeakPolarHBondContact O-CA 3.43Å; Y107-A111 VanDerWaalsContact O-CB 3.23Å; Y107-A111 WeakPolarHBondContact O-CB 3.31Å; Y107-A111 PolarHBondContact O-N 3.25Å | ||
| 112 | T | 80.3 | Confident | 89.2 | Confident | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | trans | -132.2 | 166.4 | 170.9 | 44.6 | 0 | 0 | 0 | 0 | 108.4 | T110 E114 D116 K118 | T110-T112 PolarHBondContact O-N 3.16Å; T112-E114 PolarHBondContact O-N 2.67Å; T112-E114 PolarHBondContact OG1-O 3.27Å; T112-E114 VanDerWaalsContact OG1-O 3.05Å; T112-D116 WeakPolarHBondContact CB-OD2 3.33Å; T112-D116 VanDerWaalsContact CG2-OD2 3.29Å; T112-D116 WeakPolarHBondContact CG2-OD2 3.16Å; T112-D116 PolarHBondContact OG1-OD2 2.98Å; T112-K118 PolarHBondContact OG1-NZ 2.89Å | ||
| 113 | E | 71.9 | Confident | 89.1 | Confident | 127 Ų | 127 | 56.5 Ų | 56.5 | 59% | 0.593 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -81.7 | -1.7 | 178.9 | -59.7 | -170.5 | 176 | 0 | 0 | 113.5 | K422 | E113-K422 PolarHBondContact O-NZ 2.76Å; E113-K422 IonicContact OE2-NZ 3.06Å |
| 114 | E | 71.6 | Confident | 89.1 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 65% | 0.65 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -130.5 | 161.7 | -177.3 | -64.5 | -174.4 | 179 | 0 | 0 | 110.9 | T112 D116 | T112-E114 PolarHBondContact O-N 2.67Å; T112-E114 PolarHBondContact OG1-O 3.27Å; T112-E114 VanDerWaalsContact OG1-O 3.05Å; E114-D116 PolarHBondContact O-N 3.16Å |
| 115 | Y | 72.6 | Confident | 89 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 37% | 0.365 | 28% | 0.276 | S | S | . | . | trans | -76 | 110.2 | -177.4 | 176 | -94 | 0 | 0 | 0 | 110.2 | I117 Y262 F418 | Y115-I117 HydrophobicContact CE1-CG1 3.86Å; Y115-Y262 HydrophobicContact CE2-CE1 4.28Å; Y115-Y262 WeakPolarHBondContact CE2-OH 3.3Å; Y115-F418 HydrophobicContact CD2-CZ 4.08Å | ||
| 116 | D | 78.8 | Confident | 89 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | trans | -111.2 | 139.4 | 176.9 | -71.2 | -38 | 0 | 0 | 0 | 112.9 | T112 E114 K118 | T112-D116 WeakPolarHBondContact CB-OD2 3.33Å; T112-D116 VanDerWaalsContact CG2-OD2 3.29Å; T112-D116 WeakPolarHBondContact CG2-OD2 3.16Å; T112-D116 PolarHBondContact OG1-OD2 2.98Å; E114-D116 PolarHBondContact O-N 3.16Å; D116-K118 HydrophobicContact CB-CD 3.96Å; D116-K118 HydrophobicContact CB-CG 3.78Å; D116-K118 PolarHBondContact O-N 2.82Å; D116-K118 WeakPolarHBondContact OD2-CE 3.28Å; D116-K118 IonicContact OD2-NZ 3.16Å; D116-K118 PolarHBondContact OD2-NZ 3Å | ||
| 117 | I | 84.6 | Confident | 89.2 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 16% | 0.159 | 26% | 0.258 | C | S | . | . | trans | -84.9 | 96.6 | 171.1 | -62.2 | 167.1 | 0 | 0 | 0 | 108.3 | P18 A19 L22 F64 Y115 M121 | P18-I117 HydrophobicContact CB-CB 3.87Å; P18-I117 HydrophobicContact CB-CD1 4.37Å; P18-I117 HydrophobicContact CB-CG2 4.39Å; A19-I117 VanDerWaalsContact CA-CD1 3.47Å; A19-I117 HydrophobicContact CB-CD1 3.87Å; L22-I117 HydrophobicContact CB-CD1 4.42Å; L22-I117 HydrophobicContact CD2-CD1 3.94Å; L22-I117 HydrophobicContact CD2-CG2 4.4Å; F64-I117 HydrophobicContact CE1-CG2 4.31Å; Y115-I117 HydrophobicContact CE1-CG1 3.86Å; I117-M121 HydrophobicContact CG2-CE 4.14Å | ||
| 118 | K | 91.8 | Very high | 89.3 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | trans | -116.2 | 171.7 | -178.5 | -61.3 | -178.3 | 176.9 | 136.3 | 0 | 111.5 | F64 T110 T112 D116 T120 M121 P122 | F64-K118 VanDerWaalsContact CE1-O 3.32Å; F64-K118 WeakPolarHBondContact CE1-O 3.39Å; T110-K118 WeakPolarHBondContact O-CE 3.29Å; T110-K118 PolarHBondContact O-NZ 3.07Å; T112-K118 PolarHBondContact OG1-NZ 2.89Å; D116-K118 HydrophobicContact CB-CD 3.96Å; D116-K118 HydrophobicContact CB-CG 3.78Å; D116-K118 PolarHBondContact O-N 2.82Å; D116-K118 WeakPolarHBondContact OD2-CE 3.28Å; D116-K118 IonicContact OD2-NZ 3.16Å; D116-K118 PolarHBondContact OD2-NZ 3Å; K118-T120 PolarHBondContact O-N 2.88Å; K118-T120 VanDerWaalsContact O-N 3.08Å; K118-M121 VanDerWaalsContact O-CB 3.29Å; K118-M121 WeakPolarHBondContact O-CB 3.4Å; K118-M121 PolarHBondContact O-N 3.41Å; K118-P122 WeakPolarHBondContact O-CD 3.2Å | ||
| 119 | W | 94.3 | Very high | 89.5 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.6 | 178.2 | 70.3 | -97.2 | 0 | 0 | 0 | 112.8 | F64 Q67 H70 Y102 M121 P122 H123 | F64-W119 HydrophobicContact CB-CB 4.1Å; F64-W119 HydrophobicContact CD1-CB 4.16Å; F64-W119 HydrophobicContact CG-CB 4Å; Q67-W119 HydrophobicContact CB-CB 4.05Å; Q67-W119 HydrophobicContact CB-CG 4.04Å; H70-W119 HydrophobicContact CB-CD2 4.08Å; H70-W119 HydrophobicContact CB-CE3 3.58Å; H70-W119 HydrophobicContact CB-CH2 3.87Å; H70-W119 HydrophobicContact CB-CZ2 4.31Å; H70-W119 HydrophobicContact CB-CZ3 3.47Å; H70-W119 VanDerWaalsContact CB-CZ3 3.47Å; H70-W119 AromaticContact CD2-CD2 3.55Å; H70-W119 AromaticContact CD2-CE2 3.26Å; H70-W119 AromaticContact CD2-CE3 3.99Å; H70-W119 AromaticContact CD2-CH2 3.95Å; H70-W119 AromaticContact CD2-CZ2 3.49Å; H70-W119 VanDerWaalsContact CD2-CZ2 3.49Å; H70-W119 WeakPolarHBondContact CD2-CZ2 3.39Å; H70-W119 AromaticContact CD2-NE1 3.58Å; H70-W119 AromaticContact CE1-CZ2 3.75Å; H70-W119 AromaticContact CG-CD2 3.98Å; H70-W119 AromaticContact CG-CE2 3.83Å; H70-W119 AromaticContact CG-CE3 3.93Å; H70-W119 AromaticContact CG-CH2 3.65Å; H70-W119 AromaticContact CG-CZ2 3.68Å; H70-W119 AromaticContact CG-CZ3 3.78Å; H70-W119 AromaticContact ND1-CH2 3.83Å; H70-W119 AromaticContact ND1-CZ2 3.85Å; H70-W119 AromaticContact NE2-CE2 3.56Å; H70-W119 AromaticContact NE2-CZ2 3.54Å; H70-W119 AromaticContact NE2-NE1 3.68Å; Y102-W119 HydrophobicContact CD1-CH2 4.37Å; Y102-W119 HydrophobicContact CE1-CH2 4.08Å; Y102-W119 HydrophobicContact CE1-CZ3 4.44Å; W119-M121 PolarHBondContact O-N 3.4Å; W119-P122 VanDerWaalsContact O-CD 3.27Å; W119-P122 WeakPolarHBondContact O-CD 3.42Å; W119-P122 WeakPolarHBondContact O-CG 3.23Å; W119-H123 HydrophobicContact CE3-CB 3.89Å; W119-H123 AromaticContact CE3-CG 3.93Å; W119-H123 HydrophobicContact CZ3-CB 3.93Å; W119-H123 AromaticContact CZ3-CD2 3.75Å; W119-H123 AromaticContact CZ3-CG 3.56Å; W119-H123 AromaticContact CZ3-ND1 3.74Å; W119-H123 VanDerWaalsContact O-CB 3.3Å; W119-H123 WeakPolarHBondContact O-CB 3.18Å; W119-H123 PolarHBondContact O-N 3.48Å |
| 120 | T | 95 | Very high | 89.8 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -23.1 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | Y107 K118 H123 C124 | Y107-T120 HydrophobicContact CD1-CG2 4.23Å; K118-T120 PolarHBondContact O-N 2.88Å; K118-T120 VanDerWaalsContact O-N 3.08Å; T120-H123 PolarHBondContact O-N 3.28Å; T120-C124 PolarHBondContact O-N 3.42Å |
| 121 | M | 93.9 | Very high | 90.2 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 16% | 0.163 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -57 | 179.3 | -176.1 | -79.1 | -71.2 | 0 | 0 | 112.6 | L22 I117 K118 W119 H123 C124 V177 | L22-M121 HydrophobicContact CD1-CE 3.61Å; L22-M121 HydrophobicContact CD2-CE 3.94Å; L22-M121 HydrophobicContact CG-CE 4.43Å; I117-M121 HydrophobicContact CG2-CE 4.14Å; K118-M121 VanDerWaalsContact O-CB 3.29Å; K118-M121 WeakPolarHBondContact O-CB 3.4Å; K118-M121 PolarHBondContact O-N 3.41Å; W119-M121 PolarHBondContact O-N 3.4Å; M121-H123 PolarHBondContact O-N 2.99Å; M121-C124 PolarHBondContact O-SG 3.24Å; M121-V177 HydrophobicContact CE-CG1 4.3Å; M121-V177 HydrophobicContact SD-CG1 4.3Å |
| 122 | P | 95.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.5 | -25.7 | 171 | 28.7 | -37.3 | 0 | 0 | 0 | 112.3 | F64 K118 W119 C124 V125 L126 F175 L176 | F64-P122 HydrophobicContact CD2-CG 4.43Å; F64-P122 HydrophobicContact CE2-CG 3.57Å; F64-P122 HydrophobicContact CZ-CG 3.75Å; K118-P122 WeakPolarHBondContact O-CD 3.2Å; W119-P122 VanDerWaalsContact O-CD 3.27Å; W119-P122 WeakPolarHBondContact O-CD 3.42Å; W119-P122 WeakPolarHBondContact O-CG 3.23Å; P122-C124 VanDerWaalsContact C-N 3.33Å; P122-C124 PolarHBondContact O-N 2.75Å; P122-V125 PolarHBondContact O-N 3.14Å; P122-L126 PolarHBondContact O-N 2.75Å; P122-F175 HydrophobicContact CB-CZ 4.38Å; P122-F175 VanDerWaalsContact CB-O 3.3Å; P122-F175 WeakPolarHBondContact CB-O 3.35Å; P122-F175 HydrophobicContact CG-CZ 4.5Å; P122-L176 WeakPolarHBondContact CA-O 3.48Å; P122-L176 WeakPolarHBondContact CB-O 3.23Å |
| 123 | H | 97.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -30.7 | -177.6 | -156.8 | 84.7 | 0 | 0 | 0 | 113.1 | C74 Y102 L103 W119 T120 M121 V125 L126 T127 | C74-H123 VanDerWaalsContact SG-CE1 3.57Å; Y102-H123 AromaticContact CD1-NE2 3.82Å; L103-H123 HydrophobicContact CD1-CB 4.5Å; W119-H123 HydrophobicContact CE3-CB 3.89Å; W119-H123 AromaticContact CE3-CG 3.93Å; W119-H123 HydrophobicContact CZ3-CB 3.93Å; W119-H123 AromaticContact CZ3-CD2 3.75Å; W119-H123 AromaticContact CZ3-CG 3.56Å; W119-H123 AromaticContact CZ3-ND1 3.74Å; W119-H123 VanDerWaalsContact O-CB 3.3Å; W119-H123 WeakPolarHBondContact O-CB 3.18Å; W119-H123 PolarHBondContact O-N 3.48Å; T120-H123 PolarHBondContact O-N 3.28Å; M121-H123 PolarHBondContact O-N 2.99Å; H123-V125 VanDerWaalsContact C-N 3.3Å; H123-V125 PolarHBondContact O-N 3.22Å; H123-L126 PolarHBondContact O-N 2.71Å; H123-T127 WeakPolarHBondContact O-CB 3.26Å; H123-T127 PolarHBondContact O-N 3.08Å; H123-T127 PolarHBondContact O-OG1 3.21Å |
| 124 | C | 96.5 | Very high | 93 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 12% | 0.115 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 175.9 | 77.8 | 0 | 0 | 0 | 0 | 111.3 | L103 Y107 T120 M121 P122 T127 L128 W350 | L103-C124 HydrophobicContact CD1-CB 4Å; L103-C124 HydrophobicContact CD2-CB 4.08Å; Y107-C124 WeakPolarHBondContact OH-CB 3.39Å; T120-C124 PolarHBondContact O-N 3.42Å; M121-C124 PolarHBondContact O-SG 3.24Å; P122-C124 VanDerWaalsContact C-N 3.33Å; P122-C124 PolarHBondContact O-N 2.75Å; C124-T127 WeakPolarHBondContact O-CB 3.28Å; C124-L128 PolarHBondContact O-N 3.44Å; C124-W350 HydrophobicContact CB-CZ2 3.9Å; C124-W350 PolarHBondContact O-NE1 2.9Å; C124-W350 VanDerWaalsContact SG-CZ2 3.59Å |
| 125 | V | 96.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 9% | 0.085 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67 | -45.2 | 172.9 | 176.8 | 0 | 0 | 0 | 0 | 110 | P122 H123 T127 L128 K129 Q180 | P122-V125 PolarHBondContact O-N 3.14Å; H123-V125 VanDerWaalsContact C-N 3.3Å; H123-V125 PolarHBondContact O-N 3.22Å; V125-T127 VanDerWaalsContact C-N 3.32Å; V125-T127 PolarHBondContact O-N 3.47Å; V125-L128 PolarHBondContact O-N 2.8Å; V125-K129 HydrophobicContact CG1-CD 4.47Å; V125-K129 PolarHBondContact O-N 3.02Å; V125-K129 VanDerWaalsContact O-N 3.12Å; V125-Q180 VanDerWaalsContact CA-NE2 3.33Å; V125-Q180 PolarHBondContact O-NE2 3.48Å |
| 126 | L | 98.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 177 | -179.5 | 62 | 0 | 0 | 0 | 112.5 | V75 P122 H123 L128 K129 L130 | V75-L126 HydrophobicContact CG2-CD1 4.09Å; V75-L126 HydrophobicContact CG2-CD2 4.06Å; P122-L126 PolarHBondContact O-N 2.75Å; H123-L126 PolarHBondContact O-N 2.71Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.16Å; L126-K129 WeakPolarHBondContact O-CA 3.48Å; L126-K129 WeakPolarHBondContact O-CB 3.13Å; L126-K129 PolarHBondContact O-N 3.39Å; L126-L130 HydrophobicContact CD1-CD1 4.06Å; L126-L130 HydrophobicContact CD1-CD2 4.2Å; L126-L130 HydrophobicContact CD1-CG 3.92Å; L126-L130 HydrophobicContact CD2-CD1 4.4Å; L126-L130 HydrophobicContact CG-CD1 3.86Å; L126-L130 HydrophobicContact CG-CG 4.14Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.15Å |
| 127 | T | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -53.7 | -49.7 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | Q99 M100 L103 H123 C124 V125 K129 L130 I131 | Q99-T127 HydrophobicContact CB-CG2 4.01Å; M100-T127 HydrophobicContact SD-CG2 3.94Å; L103-T127 HydrophobicContact CB-CG2 4.4Å; L103-T127 HydrophobicContact CD2-CG2 3.99Å; H123-T127 WeakPolarHBondContact O-CB 3.26Å; H123-T127 PolarHBondContact O-N 3.08Å; H123-T127 PolarHBondContact O-OG1 3.21Å; C124-T127 WeakPolarHBondContact O-CB 3.28Å; V125-T127 VanDerWaalsContact C-N 3.32Å; V125-T127 PolarHBondContact O-N 3.47Å; T127-K129 PolarHBondContact O-N 2.95Å; T127-L130 PolarHBondContact O-N 3Å; T127-I131 HydrophobicContact CG2-CD1 3.82Å; T127-I131 WeakPolarHBondContact O-CB 3.48Å; T127-I131 VanDerWaalsContact O-CG1 3.24Å; T127-I131 WeakPolarHBondContact O-CG1 3.34Å; T127-I131 PolarHBondContact O-N 2.91Å |
| 128 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 176.6 | -57.2 | -173.8 | 0 | 0 | 0 | 112.1 | C124 V125 L126 L130 G132 T318 W321 F346 W350 | C124-L128 PolarHBondContact O-N 3.44Å; V125-L128 PolarHBondContact O-N 2.8Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.16Å; L128-L130 PolarHBondContact O-N 3.28Å; L128-G132 WeakPolarHBondContact O-CA 3.2Å; L128-G132 PolarHBondContact O-N 2.9Å; L128-T318 HydrophobicContact CD1-CG2 3.78Å; L128-W321 HydrophobicContact CB-CD2 4.09Å; L128-W321 HydrophobicContact CB-CG 4.47Å; L128-W321 HydrophobicContact CB-CZ2 4.09Å; L128-W321 HydrophobicContact CD1-CD2 4.4Å; L128-W321 HydrophobicContact CD1-CE3 4.35Å; L128-W321 HydrophobicContact CD2-CD2 4.27Å; L128-W321 HydrophobicContact CD2-CE3 3.94Å; L128-W321 HydrophobicContact CD2-CH2 3.69Å; L128-W321 HydrophobicContact CD2-CZ2 3.97Å; L128-W321 HydrophobicContact CD2-CZ3 3.69Å; L128-W321 HydrophobicContact CG-CD2 4.49Å; L128-W321 WeakPolarHBondContact O-CZ2 3.2Å; L128-W321 PolarHBondContact O-NE1 3.34Å; L128-F346 HydrophobicContact CD2-CE1 4.21Å; L128-F346 HydrophobicContact CD2-CZ 3.68Å; L128-W350 HydrophobicContact CD1-CD2 4.4Å; L128-W350 HydrophobicContact CD1-CH2 4.3Å; L128-W350 HydrophobicContact CD1-CZ2 3.65Å; L128-W350 HydrophobicContact CD2-CD2 4.45Å; L128-W350 HydrophobicContact CD2-CG 4.21Å; L128-W350 HydrophobicContact CG-CZ2 4.17Å |
| 129 | K | 98 | Very high | 97.4 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 2% | 0.022 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.3 | -72.4 | 178.9 | 70.9 | 176 | 0 | 111.8 | V125 L126 T127 L133 F168 F181 | V125-K129 HydrophobicContact CG1-CD 4.47Å; V125-K129 PolarHBondContact O-N 3.02Å; V125-K129 VanDerWaalsContact O-N 3.12Å; L126-K129 WeakPolarHBondContact O-CA 3.48Å; L126-K129 WeakPolarHBondContact O-CB 3.13Å; L126-K129 PolarHBondContact O-N 3.39Å; T127-K129 PolarHBondContact O-N 2.95Å; K129-L133 VanDerWaalsContact O-CB 3.28Å; K129-L133 WeakPolarHBondContact O-CB 3.04Å; K129-L133 PolarHBondContact O-N 3.46Å; K129-F168 HydrophobicContact CB-CE1 3.74Å; K129-F168 HydrophobicContact CB-CZ 3.72Å; K129-F168 HydrophobicContact CD-CZ 4.23Å; K129-F168 VanDerWaalsContact CE-CE2 3.41Å; K129-F168 HydrophobicContact CG-CE1 4.43Å; K129-F168 HydrophobicContact CG-CZ 3.97Å; K129-F168 PolarHBondContact NZ-O 3.49Å; K129-F181 VanDerWaalsContact NZ-CZ 3.31Å |
| 130 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.2 | -40.3 | -177.9 | -63.5 | 179 | 0 | 0 | 0 | 112.1 | C74 V75 Q78 Q99 L126 T127 L128 L133 A134 | C74-L130 HydrophobicContact CB-CD1 4.08Å; V75-L130 HydrophobicContact CG2-CD1 4.32Å; V75-L130 HydrophobicContact CG2-CD2 4.36Å; Q78-L130 HydrophobicContact CB-CB 4.36Å; Q78-L130 HydrophobicContact CB-CD1 4.3Å; Q78-L130 HydrophobicContact CB-CD2 3.96Å; Q78-L130 HydrophobicContact CB-CG 4.42Å; Q78-L130 HydrophobicContact CG-CB 3.91Å; Q78-L130 HydrophobicContact CG-CD2 3.85Å; Q78-L130 HydrophobicContact CG-CG 4.33Å; Q78-L130 PolarHBondContact NE2-O 3.35Å; Q99-L130 HydrophobicContact CG-CB 4.14Å; L126-L130 HydrophobicContact CD1-CD1 4.06Å; L126-L130 HydrophobicContact CD1-CD2 4.2Å; L126-L130 HydrophobicContact CD1-CG 3.92Å; L126-L130 HydrophobicContact CD2-CD1 4.4Å; L126-L130 HydrophobicContact CG-CD1 3.86Å; L126-L130 HydrophobicContact CG-CG 4.14Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.15Å; T127-L130 PolarHBondContact O-N 3Å; L128-L130 PolarHBondContact O-N 3.28Å; L130-L133 WeakPolarHBondContact O-CB 3.48Å; L130-L133 PolarHBondContact O-N 3.31Å; L130-A134 PolarHBondContact O-N 3.03Å |
| 131 | I | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 172.8 | -66.2 | 175 | 0 | 0 | 0 | 110.6 | F96 Q99 M100 T127 L133 A134 F135 W321 | F96-I131 HydrophobicContact CD2-CD1 4.11Å; F96-I131 HydrophobicContact CD2-CG2 3.55Å; F96-I131 HydrophobicContact CE2-CD1 4.42Å; F96-I131 HydrophobicContact CE2-CG2 4.18Å; F96-I131 HydrophobicContact CG-CD1 4.41Å; F96-I131 HydrophobicContact CG-CG2 4.42Å; Q99-I131 HydrophobicContact CB-CD1 4Å; Q99-I131 HydrophobicContact CB-CG1 3.78Å; Q99-I131 HydrophobicContact CG-CG1 4.08Å; M100-I131 HydrophobicContact CG-CD1 3.89Å; M100-I131 HydrophobicContact SD-CD1 4.09Å; T127-I131 HydrophobicContact CG2-CD1 3.82Å; T127-I131 WeakPolarHBondContact O-CB 3.48Å; T127-I131 VanDerWaalsContact O-CG1 3.24Å; T127-I131 WeakPolarHBondContact O-CG1 3.34Å; T127-I131 PolarHBondContact O-N 2.91Å; I131-L133 VanDerWaalsContact C-N 3.29Å; I131-L133 PolarHBondContact O-N 3.48Å; I131-A134 PolarHBondContact O-N 3.41Å; I131-F135 HydrophobicContact CG2-CD2 3.8Å; I131-F135 HydrophobicContact CG2-CE2 3.63Å; I131-F135 WeakPolarHBondContact O-CD2 3.29Å; I131-F135 PolarHBondContact O-N 2.88Å; I131-F135 VanDerWaalsContact O-N 3.12Å; I131-W321 HydrophobicContact CB-CZ2 3.97Å; I131-W321 HydrophobicContact CG2-CH2 4.04Å; I131-W321 HydrophobicContact CG2-CZ2 3.74Å |
| 132 | G | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L128 A134 F135 D136 | L128-G132 WeakPolarHBondContact O-CA 3.2Å; L128-G132 PolarHBondContact O-N 2.9Å; G132-A134 VanDerWaalsContact C-N 3.35Å; G132-A134 PolarHBondContact O-N 2.9Å; G132-F135 PolarHBondContact O-N 3.13Å; G132-D136 WeakPolarHBondContact O-CB 3.42Å; G132-D136 VanDerWaalsContact O-CG 3.24Å; G132-D136 PolarHBondContact O-N 3.47Å |
| 133 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -42.5 | 175.3 | 171.9 | 60.3 | 0 | 0 | 0 | 112.6 | Q78 L82 K129 L130 I131 D136 F137 L156 P160 V165 M183 | Q78-L133 HydrophobicContact CG-CD2 4.32Å; L82-L133 HydrophobicContact CD1-CD1 4.26Å; L82-L133 HydrophobicContact CD1-CD2 3.67Å; L82-L133 HydrophobicContact CD1-CG 3.75Å; K129-L133 VanDerWaalsContact O-CB 3.28Å; K129-L133 WeakPolarHBondContact O-CB 3.04Å; K129-L133 PolarHBondContact O-N 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.48Å; L130-L133 PolarHBondContact O-N 3.31Å; I131-L133 VanDerWaalsContact C-N 3.29Å; I131-L133 PolarHBondContact O-N 3.48Å; L133-D136 PolarHBondContact O-N 2.88Å; L133-F137 WeakPolarHBondContact O-CB 3.33Å; L133-F137 PolarHBondContact O-N 2.98Å; L133-L156 HydrophobicContact CD1-CD1 3.36Å; L133-P160 HydrophobicContact CD1-CG 4.12Å; L133-V165 HydrophobicContact CD2-CG1 4.2Å; L133-V165 HydrophobicContact CD2-CG2 4.2Å; L133-M183 HydrophobicContact CD1-CB 3.82Å; L133-M183 HydrophobicContact CD1-CE 4.2Å; L133-M183 HydrophobicContact CD1-CG 4.03Å; L133-M183 HydrophobicContact CD2-CE 4.23Å |
| 134 | A | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.033 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L82 S95 L130 I131 G132 F137 Y138 | L82-A134 HydrophobicContact CD2-CB 4.26Å; S95-A134 WeakPolarHBondContact OG-CB 3.26Å; L130-A134 PolarHBondContact O-N 3.03Å; I131-A134 PolarHBondContact O-N 3.41Å; G132-A134 VanDerWaalsContact C-N 3.35Å; G132-A134 PolarHBondContact O-N 2.9Å; A134-F137 PolarHBondContact O-N 3.29Å; A134-Y138 WeakPolarHBondContact O-CB 3.23Å; A134-Y138 PolarHBondContact O-N 3.44Å |
| 135 | F | 98.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.1 | -83.8 | -63.6 | 0 | 0 | 0 | 112.7 | V92 F96 I131 G132 F137 Y138 D139 H325 R329 | V92-F135 HydrophobicContact CG1-CD1 3.54Å; V92-F135 HydrophobicContact CG1-CD2 4.41Å; V92-F135 HydrophobicContact CG1-CE1 3.25Å; V92-F135 HydrophobicContact CG1-CE2 4.17Å; V92-F135 HydrophobicContact CG1-CG 4.12Å; V92-F135 HydrophobicContact CG1-CZ 3.6Å; F96-F135 HydrophobicContact CD2-CE2 4.18Å; I131-F135 HydrophobicContact CG2-CD2 3.8Å; I131-F135 HydrophobicContact CG2-CE2 3.63Å; I131-F135 WeakPolarHBondContact O-CD2 3.29Å; I131-F135 PolarHBondContact O-N 2.88Å; I131-F135 VanDerWaalsContact O-N 3.12Å; G132-F135 PolarHBondContact O-N 3.13Å; F135-F137 VanDerWaalsContact C-N 3.34Å; F135-Y138 PolarHBondContact O-N 3.21Å; F135-D139 WeakPolarHBondContact O-CB 3.25Å; F135-D139 PolarHBondContact O-N 3.29Å; F135-H325 WeakPolarHBondContact CB-ND1 3.38Å; F135-H325 HydrophobicContact CD2-CB 4.15Å; F135-H325 AromaticContact CD2-ND1 3.6Å; F135-H325 HydrophobicContact CE2-CB 4.31Å; F135-H325 AromaticContact CG-ND1 3.64Å; F135-R329 VanDerWaalsContact CD1-CZ 3.41Å |
| 136 | D | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | -179.2 | -71.6 | -14.5 | 0 | 0 | 0 | 111.1 | G132 L133 G140 A154 A155 L156 H325 | G132-D136 WeakPolarHBondContact O-CB 3.42Å; G132-D136 VanDerWaalsContact O-CG 3.24Å; G132-D136 PolarHBondContact O-N 3.47Å; L133-D136 PolarHBondContact O-N 2.88Å; D136-G140 PolarHBondContact O-N 2.85Å; D136-G140 VanDerWaalsContact O-N 3.08Å; D136-A154 WeakPolarHBondContact OD1-CB 3.26Å; D136-A155 WeakPolarHBondContact O-CA 3.46Å; D136-L156 HydrophobicContact CB-CD1 4.21Å; D136-L156 HydrophobicContact CB-CG 4.25Å; D136-L156 PolarHBondContact O-N 2.97Å; D136-H325 IonicContact OD1-CE1 2.65Å; D136-H325 PolarHBondContact OD1-CE1 3.29Å |
| 137 | F | 98.5 | Very high | 97 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 173 | 179.9 | -125.8 | 0 | 0 | 0 | 113 | L82 R87 L133 A134 F135 G140 L156 V159 | L82-F137 HydrophobicContact CB-CD1 4.42Å; L82-F137 HydrophobicContact CD2-CB 4.11Å; L82-F137 HydrophobicContact CD2-CD1 3.77Å; L82-F137 HydrophobicContact CD2-CG 4.27Å; R87-F137 WeakPolarHBondContact CD-O 3.22Å; R87-F137 HydrophobicContact CG-CD1 4.02Å; R87-F137 HydrophobicContact CG-CD2 4.28Å; R87-F137 HydrophobicContact CG-CE1 3.67Å; R87-F137 HydrophobicContact CG-CE2 3.92Å; R87-F137 HydrophobicContact CG-CG 4.33Å; R87-F137 HydrophobicContact CG-CZ 3.6Å; R87-F137 WeakPolarHBondContact CG-O 3.35Å; R87-F137 PolarHBondContact NE-O 3.42Å; L133-F137 WeakPolarHBondContact O-CB 3.33Å; L133-F137 PolarHBondContact O-N 2.98Å; A134-F137 PolarHBondContact O-N 3.29Å; F135-F137 VanDerWaalsContact C-N 3.34Å; F137-G140 PolarHBondContact O-N 3.46Å; F137-L156 HydrophobicContact CB-CD1 4.48Å; F137-L156 HydrophobicContact CD2-CB 4.48Å; F137-V159 HydrophobicContact CE2-CB 3.97Å; F137-V159 HydrophobicContact CZ-CB 3.86Å; F137-V159 HydrophobicContact CZ-CG2 4.5Å |
| 138 | Y | 97.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 174 | 176.2 | -101.8 | 0 | 0 | 0 | 111.8 | R87 V89 V92 A134 F135 G140 G141 | R87-Y138 WeakPolarHBondContact O-CD2 3.22Å; R87-Y138 WeakPolarHBondContact O-CE2 3.4Å; V89-Y138 HydrophobicContact CG2-CE2 3.98Å; V89-Y138 WeakPolarHBondContact CG2-OH 3.46Å; V92-Y138 HydrophobicContact CG2-CD1 4.44Å; V92-Y138 HydrophobicContact CG2-CD2 4.13Å; V92-Y138 HydrophobicContact CG2-CG 3.79Å; A134-Y138 WeakPolarHBondContact O-CB 3.23Å; A134-Y138 PolarHBondContact O-N 3.44Å; F135-Y138 PolarHBondContact O-N 3.21Å; Y138-G140 VanDerWaalsContact C-N 3.27Å; Y138-G140 PolarHBondContact O-N 3.16Å; Y138-G141 PolarHBondContact O-N 3.4Å; Y138-G141 VanDerWaalsContact O-N 3.16Å |
| 139 | D | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -29.2 | 179.3 | -75 | -16.5 | 0 | 0 | 0 | 112.4 | F135 G141 K142 L147 Q151 R329 | F135-D139 WeakPolarHBondContact O-CB 3.25Å; F135-D139 PolarHBondContact O-N 3.29Å; D139-G141 PolarHBondContact O-N 2.87Å; D139-G141 VanDerWaalsContact O-N 3.11Å; D139-K142 WeakPolarHBondContact O-CB 3.49Å; D139-K142 PolarHBondContact O-N 3.46Å; D139-K142 IonicContact OD1-NZ 2.8Å; D139-K142 PolarHBondContact OD1-NZ 3.5Å; D139-L147 HydrophobicContact CB-CD2 3.93Å; D139-Q151 PolarHBondContact OD1-NE2 3.4Å; D139-Q151 WeakPolarHBondContact OD2-CG 3.36Å; D139-Q151 PolarHBondContact OD2-NE2 3.39Å; D139-R329 IonicContact OD1-CZ 2.59Å; D139-R329 IonicContact OD1-NH1 3.18Å; D139-R329 PolarHBondContact OD1-NH1 3.13Å; D139-R329 IonicContact OD1-NH2 3.7Å; D139-R329 IonicContact OD2-CZ 2.89Å; D139-R329 IonicContact OD2-NH1 3.37Å; D139-R329 PolarHBondContact OD2-NH1 3.5Å; D139-R329 IonicContact OD2-NH2 3.24Å; D139-R329 PolarHBondContact OD2-NH2 3.46Å |
| 140 | G | 97.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -3.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R87 D136 F137 Y138 L156 | R87-G140 PolarHBondContact NH1-O 2.96Å; R87-G140 PolarHBondContact NH2-O 3.35Å; D136-G140 PolarHBondContact O-N 2.85Å; D136-G140 VanDerWaalsContact O-N 3.08Å; F137-G140 PolarHBondContact O-N 3.46Å; Y138-G140 VanDerWaalsContact C-N 3.27Å; Y138-G140 PolarHBondContact O-N 3.16Å; G140-L156 WeakPolarHBondContact CA-O 3.47Å |
| 141 | G | 96.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 0.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y138 D139 | Y138-G141 PolarHBondContact O-N 3.4Å; Y138-G141 VanDerWaalsContact O-N 3.16Å; D139-G141 PolarHBondContact O-N 2.87Å; D139-G141 VanDerWaalsContact O-N 3.11Å |
| 142 | K | 95.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 27% | 0.265 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -94.1 | 158.2 | -179.9 | -63.5 | 176.3 | 179.6 | 165.7 | 0 | 111.4 | D139 L147 | D139-K142 WeakPolarHBondContact O-CB 3.49Å; D139-K142 PolarHBondContact O-N 3.46Å; D139-K142 IonicContact OD1-NZ 2.8Å; D139-K142 PolarHBondContact OD1-NZ 3.5Å; K142-L147 HydrophobicContact CB-CD2 4.01Å; K142-L147 HydrophobicContact CB-CG 4.44Å; K142-L147 HydrophobicContact CD-CD2 3.98Å |
| 143 | E | 94.7 | Very high | 95.5 | Very high | 124 Ų | 124 | 54 Ų | 54 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | trans | -63.4 | 141.1 | 171.2 | -70.9 | -57.8 | 138 | 0 | 0 | 111 | S145 Q146 | E143-S145 PolarHBondContact O-N 3.5Å; E143-S145 VanDerWaalsContact O-N 3.08Å; E143-Q146 HydrophobicContact CB-CG 4.27Å; E143-Q146 WeakPolarHBondContact O-CB 3.35Å; E143-Q146 PolarHBondContact O-N 3.17Å | ||
| 144 | P | 92.9 | Very high | 95.4 | Very high | 101 Ų | 101 | 54 Ų | 54 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -54.2 | -32.2 | -179.6 | -28.3 | 35.5 | 0 | 0 | 0 | 114.3 | Q146 L147 | P144-Q146 PolarHBondContact O-N 2.92Å; P144-L147 PolarHBondContact O-N 2.98Å |
| 145 | S | 94.3 | Very high | 95.3 | Very high | 112 Ų | 112 | 54.5 Ų | 54.5 | 78% | 0.783 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -67 | -20.2 | 177.8 | 58.8 | 0 | 0 | 0 | 0 | 114 | E143 | E143-S145 PolarHBondContact O-N 3.5Å; E143-S145 VanDerWaalsContact O-N 3.08Å |
| 146 | Q | 93.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 53.4 Ų | 53.4 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -91 | -10.1 | 178.6 | -61.4 | -179.4 | -28.9 | 0 | 0 | 112.8 | E143 P144 | E143-Q146 HydrophobicContact CB-CG 4.27Å; E143-Q146 WeakPolarHBondContact O-CB 3.35Å; E143-Q146 PolarHBondContact O-N 3.17Å; P144-Q146 PolarHBondContact O-N 2.92Å |
| 147 | L | 94.4 | Very high | 95 | Very high | 30 Ų | 30 | 57.3 Ų | 57.3 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -91.8 | 134.4 | -177.2 | -62.3 | -179.9 | 0 | 0 | 0 | 110.7 | D139 K142 P144 Q151 A152 A155 | D139-L147 HydrophobicContact CB-CD2 3.93Å; K142-L147 HydrophobicContact CB-CD2 4.01Å; K142-L147 HydrophobicContact CB-CG 4.44Å; K142-L147 HydrophobicContact CD-CD2 3.98Å; P144-L147 PolarHBondContact O-N 2.98Å; L147-Q151 HydrophobicContact CB-CB 4.29Å; L147-Q151 HydrophobicContact CD2-CB 4.1Å; L147-A152 HydrophobicContact CB-CB 4.29Å; L147-A155 HydrophobicContact CD1-CB 4.25Å |
| 148 | S | 93.4 | Very high | 94.9 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | trans | -66.7 | 157.3 | 162.3 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | D150 Q151 A152 | S148-D150 PolarHBondContact O-N 3.34Å; S148-D150 VanDerWaalsContact O-N 3.11Å; S148-Q151 PolarHBondContact O-N 3.11Å; S148-Q151 WeakPolarHBondContact OG-CG 3.47Å; S148-Q151 PolarHBondContact OG-N 2.96Å; S148-Q151 PolarHBondContact OG-OE1 2.87Å; S148-A152 PolarHBondContact O-N 3.5Å | ||
| 149 | A | 92.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -54 | -34.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K153 | A149-K153 WeakPolarHBondContact O-CG 3.48Å; A149-K153 PolarHBondContact O-N 3.18Å |
| 150 | D | 90.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.9 | -38.3 | 177.3 | -67.6 | -27.1 | 0 | 0 | 0 | 112.4 | S148 K328 | S148-D150 PolarHBondContact O-N 3.34Å; S148-D150 VanDerWaalsContact O-N 3.11Å; D150-K328 IonicContact OD2-NZ 3.45Å; D150-K328 PolarHBondContact OD2-NZ 3.07Å |
| 151 | Q | 94.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 13% | 0.131 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 176.6 | -70.1 | 168.2 | -66.5 | 0 | 0 | 110.8 | D139 L147 S148 K153 A154 A155 | D139-Q151 PolarHBondContact OD1-NE2 3.4Å; D139-Q151 WeakPolarHBondContact OD2-CG 3.36Å; D139-Q151 PolarHBondContact OD2-NE2 3.39Å; L147-Q151 HydrophobicContact CB-CB 4.29Å; L147-Q151 HydrophobicContact CD2-CB 4.1Å; S148-Q151 PolarHBondContact O-N 3.11Å; S148-Q151 WeakPolarHBondContact OG-CG 3.47Å; S148-Q151 PolarHBondContact OG-N 2.96Å; S148-Q151 PolarHBondContact OG-OE1 2.87Å; Q151-K153 PolarHBondContact O-N 3.41Å; Q151-A154 PolarHBondContact O-N 2.9Å; Q151-A155 WeakPolarHBondContact O-CB 3.38Å; Q151-A155 PolarHBondContact O-N 2.93Å |
| 152 | A | 95.1 | Very high | 95 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L147 S148 A154 | L147-A152 HydrophobicContact CB-CB 4.29Å; S148-A152 PolarHBondContact O-N 3.5Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.43Å |
| 153 | K | 93.4 | Very high | 95.1 | Very high | 147 Ų | 147 | 62.4 Ų | 62.4 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.9 | -26.6 | 176.3 | -72.3 | 173.5 | -175.7 | 178.5 | 0 | 113.7 | A149 Q151 R184 | A149-K153 WeakPolarHBondContact O-CG 3.48Å; A149-K153 PolarHBondContact O-N 3.18Å; Q151-K153 PolarHBondContact O-N 3.41Å; K153-R184 WeakPolarHBondContact O-CG 3.4Å |
| 154 | A | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -105.9 | -23.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D136 Q151 A152 T182 | D136-A154 WeakPolarHBondContact OD1-CB 3.26Å; Q151-A154 PolarHBondContact O-N 2.9Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.43Å; A154-T182 HydrophobicContact CB-CG2 3.78Å |
| 155 | A | 96.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | trans | -51.2 | 135.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | D136 L147 Q151 | D136-A155 WeakPolarHBondContact O-CA 3.46Å; L147-A155 HydrophobicContact CD1-CB 4.25Å; Q151-A155 WeakPolarHBondContact O-CB 3.38Å; Q151-A155 PolarHBondContact O-N 2.93Å | ||
| 156 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -107.9 | 112.4 | -178.2 | -63.4 | 169.8 | 0 | 0 | 0 | 111.4 | R87 L133 D136 F137 G140 S158 P160 M183 R184 | R87-L156 PolarHBondContact NH2-O 3.15Å; L133-L156 HydrophobicContact CD1-CD1 3.36Å; D136-L156 HydrophobicContact CB-CD1 4.21Å; D136-L156 HydrophobicContact CB-CG 4.25Å; D136-L156 PolarHBondContact O-N 2.97Å; F137-L156 HydrophobicContact CB-CD1 4.48Å; F137-L156 HydrophobicContact CD2-CB 4.48Å; G140-L156 WeakPolarHBondContact CA-O 3.47Å; L156-S158 VanDerWaalsContact C-N 3.25Å; L156-S158 PolarHBondContact O-N 3.29Å; L156-P160 HydrophobicContact CD1-CG 4.14Å; L156-M183 HydrophobicContact CD1-CB 3.9Å; L156-M183 HydrophobicContact CD1-CG 3.9Å; L156-M183 HydrophobicContact CD2-CB 4.17Å; L156-M183 HydrophobicContact CD2-CG 3.91Å; L156-R184 HydrophobicContact CD2-CB 4.23Å | ||
| 157 | P | 94.1 | Very high | 96 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -75.6 | -11.4 | -175.2 | 31.9 | -36.9 | 0 | 0 | 0 | 113.6 | R87 | R87-P157 VanDerWaalsContact NH2-CA 3.32Å; R87-P157 PolarHBondContact NH2-O 3.08Å |
| 158 | S | 95.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 42 Ų | 42 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -143.2 | 160.3 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | L156 P160 | L156-S158 VanDerWaalsContact C-N 3.25Å; L156-S158 PolarHBondContact O-N 3.29Å; S158-P160 WeakPolarHBondContact O-CD 3.48Å |
| 159 | V | 96.6 | Very high | 96.5 | Very high | 55 Ų | 55 | 40 Ų | 40 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 126 | 172.7 | 60.4 | 0 | 0 | 0 | 0 | 108.9 | L82 F137 | L82-V159 HydrophobicContact CB-CG2 4.01Å; F137-V159 HydrophobicContact CE2-CB 3.97Å; F137-V159 HydrophobicContact CZ-CB 3.86Å; F137-V159 HydrophobicContact CZ-CG2 4.5Å |
| 160 | P | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 150 | 175.6 | -21 | 33.6 | 0 | 0 | 0 | 111.5 | L133 L156 S158 E164 V165 M183 | L133-P160 HydrophobicContact CD1-CG 4.12Å; L156-P160 HydrophobicContact CD1-CG 4.14Å; S158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-E164 HydrophobicContact CB-CB 4.01Å; P160-V165 HydrophobicContact CB-CG2 3.95Å; P160-M183 HydrophobicContact CB-CE 4.17Å; P160-M183 HydrophobicContact CG-CE 4.28Å; P160-M183 HydrophobicContact CG-CG 4.01Å |
| 161 | T | 98.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 34 Ų | 34 | 44% | 0.436 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 159.1 | 173.1 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | L163 E164 V165 | T161-L163 PolarHBondContact O-N 3.3Å; T161-E164 PolarHBondContact N-OE2 3.12Å; T161-E164 PolarHBondContact O-N 2.94Å; T161-E164 VanDerWaalsContact O-N 3.11Å; T161-E164 WeakPolarHBondContact OG1-CG 3.38Å; T161-E164 PolarHBondContact OG1-N 3.37Å; T161-E164 PolarHBondContact OG1-OE2 3.44Å; T161-V165 WeakPolarHBondContact O-CG2 3.43Å; T161-V165 PolarHBondContact O-N 3.05Å |
| 162 | L | 98.4 | Very high | 97.3 | Very high | 63 Ų | 63 | 33 Ų | 33 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55 | -39.8 | 175 | -176.2 | 63.6 | 0 | 0 | 0 | 111.2 | F76 F79 V165 F166 | F76-L162 HydrophobicContact CD2-CD1 4.08Å; F79-L162 HydrophobicContact CB-CD1 3.85Å; F79-L162 HydrophobicContact CD1-CB 4.4Å; F79-L162 HydrophobicContact CD1-CD1 3.6Å; F79-L162 HydrophobicContact CD2-CB 4.2Å; F79-L162 HydrophobicContact CD2-CD1 4.18Å; F79-L162 HydrophobicContact CE1-CB 4.2Å; F79-L162 HydrophobicContact CE1-CD1 4.15Å; F79-L162 HydrophobicContact CE2-CB 4.01Å; F79-L162 VanDerWaalsContact CE2-N 3.34Å; F79-L162 HydrophobicContact CG-CB 4.38Å; F79-L162 HydrophobicContact CG-CD1 3.59Å; F79-L162 HydrophobicContact CZ-CB 3.98Å; L162-V165 PolarHBondContact O-N 3.28Å; L162-F166 HydrophobicContact CD1-CD2 3.66Å; L162-F166 HydrophobicContact CD1-CE2 3.57Å; L162-F166 HydrophobicContact CG-CD2 3.96Å; L162-F166 HydrophobicContact CG-CE2 4.17Å; L162-F166 WeakPolarHBondContact O-CD2 3.34Å; L162-F166 PolarHBondContact O-N 2.72Å |
| 163 | L | 98.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 30.6 Ų | 30.6 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 179.1 | -172.1 | 67.5 | 0 | 0 | 0 | 112 | T46 H49 L50 I53 T161 G167 | T46-L163 HydrophobicContact CG2-CD2 3.85Å; H49-L163 HydrophobicContact CB-CD1 3.96Å; H49-L163 HydrophobicContact CB-CD2 3.87Å; H49-L163 HydrophobicContact CB-CG 3.54Å; L50-L163 HydrophobicContact CD2-CD1 3.92Å; L50-L163 HydrophobicContact CG-CD1 4.25Å; I53-L163 HydrophobicContact CD1-CD1 3.52Å; I53-L163 HydrophobicContact CD1-CG 4.5Å; T161-L163 PolarHBondContact O-N 3.3Å; L163-G167 PolarHBondContact O-N 3.07Å |
| 164 | E | 98.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 15% | 0.154 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 173.5 | -74.9 | 168.4 | 108.5 | 0 | 0 | 111.9 | P160 T161 G167 F168 M183 Q187 | P160-E164 HydrophobicContact CB-CB 4.01Å; T161-E164 PolarHBondContact N-OE2 3.12Å; T161-E164 PolarHBondContact O-N 2.94Å; T161-E164 VanDerWaalsContact O-N 3.11Å; T161-E164 WeakPolarHBondContact OG1-CG 3.38Å; T161-E164 PolarHBondContact OG1-N 3.37Å; T161-E164 PolarHBondContact OG1-OE2 3.44Å; E164-G167 PolarHBondContact O-N 2.8Å; E164-F168 WeakPolarHBondContact O-CB 3.46Å; E164-F168 PolarHBondContact O-N 2.88Å; E164-M183 HydrophobicContact CB-SD 4.42Å; E164-Q187 PolarHBondContact OE1-NE2 3.07Å |
| 165 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | V75 F79 L133 P160 T161 L162 S169 M183 | V75-V165 HydrophobicContact CG1-CG1 3.77Å; F79-V165 HydrophobicContact CB-CG1 4.41Å; F79-V165 HydrophobicContact CD2-CG2 4.25Å; L133-V165 HydrophobicContact CD2-CG1 4.2Å; L133-V165 HydrophobicContact CD2-CG2 4.2Å; P160-V165 HydrophobicContact CB-CG2 3.95Å; T161-V165 WeakPolarHBondContact O-CG2 3.43Å; T161-V165 PolarHBondContact O-N 3.05Å; L162-V165 PolarHBondContact O-N 3.28Å; V165-S169 VanDerWaalsContact O-CB 3.29Å; V165-S169 WeakPolarHBondContact O-CB 3.41Å; V165-S169 PolarHBondContact O-N 3.07Å; V165-S169 PolarHBondContact O-OG 3.41Å; V165-M183 HydrophobicContact CG2-CE 4.18Å |
| 166 | F | 98.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -47.2 | 173.6 | -91.6 | -93.6 | 0 | 0 | 0 | 111.8 | I53 A72 V75 F76 L162 F168 S169 Y170 | I53-F166 HydrophobicContact CD1-CB 3.52Å; I53-F166 HydrophobicContact CG1-CB 3.79Å; A72-F166 HydrophobicContact CB-CE1 4.48Å; V75-F166 HydrophobicContact CB-CE1 4.46Å; V75-F166 HydrophobicContact CB-CE2 4.4Å; V75-F166 HydrophobicContact CB-CZ 4.25Å; V75-F166 HydrophobicContact CG1-CD1 4.06Å; V75-F166 HydrophobicContact CG1-CD2 3.62Å; V75-F166 HydrophobicContact CG1-CE1 4.1Å; V75-F166 HydrophobicContact CG1-CE2 3.66Å; V75-F166 HydrophobicContact CG1-CG 3.82Å; V75-F166 HydrophobicContact CG1-CZ 3.9Å; F76-F166 HydrophobicContact CB-CE2 4.41Å; F76-F166 HydrophobicContact CB-CZ 4.37Å; L162-F166 HydrophobicContact CD1-CD2 3.66Å; L162-F166 HydrophobicContact CD1-CE2 3.57Å; L162-F166 HydrophobicContact CG-CD2 3.96Å; L162-F166 HydrophobicContact CG-CE2 4.17Å; L162-F166 WeakPolarHBondContact O-CD2 3.34Å; L162-F166 PolarHBondContact O-N 2.72Å; F166-F168 VanDerWaalsContact C-N 3.32Å; F166-F168 PolarHBondContact O-N 3.17Å; F166-S169 PolarHBondContact O-N 3.31Å; F166-Y170 AromaticContact CD1-CD2 3.77Å; F166-Y170 HydrophobicContact CD1-CD2 3.77Å; F166-Y170 AromaticContact CD1-CE2 3.52Å; F166-Y170 HydrophobicContact CD1-CE2 3.52Å; F166-Y170 HydrophobicContact CE1-CD2 4.48Å; F166-Y170 AromaticContact CE1-CE2 3.79Å; F166-Y170 HydrophobicContact CE1-CE2 3.79Å; F166-Y170 WeakPolarHBondContact O-CB 3.49Å; F166-Y170 WeakPolarHBondContact O-CD2 3.39Å; F166-Y170 PolarHBondContact O-N 2.87Å |
| 167 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L163 E164 F171 Y186 | L163-G167 PolarHBondContact O-N 3.07Å; E164-G167 PolarHBondContact O-N 2.8Å; G167-F171 PolarHBondContact O-N 2.84Å; G167-F171 VanDerWaalsContact O-N 3.07Å; G167-Y186 WeakPolarHBondContact CA-OH 3.38Å; G167-Y186 VanDerWaalsContact O-CE2 3.22Å; G167-Y186 WeakPolarHBondContact O-CE2 3.36Å; G167-Y186 VanDerWaalsContact O-CZ 3.29Å; G167-Y186 PolarHBondContact O-OH 2.9Å |
| 168 | F | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 172.6 | 164.4 | -115 | 0 | 0 | 0 | 111.1 | K129 E164 F166 F181 M183 Y186 | K129-F168 HydrophobicContact CB-CE1 3.74Å; K129-F168 HydrophobicContact CB-CZ 3.72Å; K129-F168 HydrophobicContact CD-CZ 4.23Å; K129-F168 VanDerWaalsContact CE-CE2 3.41Å; K129-F168 HydrophobicContact CG-CE1 4.43Å; K129-F168 HydrophobicContact CG-CZ 3.97Å; K129-F168 PolarHBondContact NZ-O 3.49Å; E164-F168 WeakPolarHBondContact O-CB 3.46Å; E164-F168 PolarHBondContact O-N 2.88Å; F166-F168 VanDerWaalsContact C-N 3.32Å; F166-F168 PolarHBondContact O-N 3.17Å; F168-F181 HydrophobicContact CD2-CD2 4.07Å; F168-F181 AromaticContact CD2-CE2 3.54Å; F168-F181 HydrophobicContact CD2-CE2 3.54Å; F168-F181 HydrophobicContact CD2-CZ 4.38Å; F168-F181 AromaticContact CE2-CD2 3.69Å; F168-F181 HydrophobicContact CE2-CD2 3.69Å; F168-F181 AromaticContact CE2-CE2 3.56Å; F168-F181 HydrophobicContact CE2-CE2 3.56Å; F168-F181 HydrophobicContact CE2-CZ 4.38Å; F168-F181 WeakPolarHBondContact CE2-O 3.31Å; F168-M183 HydrophobicContact CB-CE 3.36Å; F168-M183 HydrophobicContact CB-SD 3.79Å; F168-M183 HydrophobicContact CD1-CE 3.63Å; F168-M183 HydrophobicContact CD2-CE 4.41Å; F168-M183 HydrophobicContact CD2-SD 4.4Å; F168-M183 HydrophobicContact CG-CE 3.56Å; F168-M183 HydrophobicContact CG-SD 4.04Å; F168-Y186 HydrophobicContact CB-CD1 3.74Å; F168-Y186 HydrophobicContact CB-CD2 4.45Å; F168-Y186 HydrophobicContact CB-CE1 4.1Å; F168-Y186 HydrophobicContact CB-CG 3.94Å; F168-Y186 HydrophobicContact CD2-CG 4.11Å; F168-Y186 VanDerWaalsContact N-CZ 3.34Å |
| 169 | S | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.5 | -42.3 | -175.8 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | V75 V165 F166 | V75-S169 WeakPolarHBondContact CG2-OG 3.21Å; V165-S169 VanDerWaalsContact O-CB 3.29Å; V165-S169 WeakPolarHBondContact O-CB 3.41Å; V165-S169 PolarHBondContact O-N 3.07Å; V165-S169 PolarHBondContact O-OG 3.41Å; F166-S169 PolarHBondContact O-N 3.31Å |
| 170 | Y | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 12.1 | -175.6 | -68.9 | -70.6 | 0 | 0 | 0 | 114.4 | H52 G56 L57 S71 A72 V75 F166 Y172 F175 | H52-Y170 CarbonylContact O-C 3.57Å; G56-Y170 WeakPolarHBondContact CA-O 3.35Å; L57-Y170 HydrophobicContact CD2-CD1 3.94Å; L57-Y170 HydrophobicContact CD2-CD2 4.36Å; L57-Y170 HydrophobicContact CD2-CE1 3.54Å; L57-Y170 HydrophobicContact CD2-CE2 4.01Å; L57-Y170 HydrophobicContact CD2-CG 4.33Å; L57-Y170 HydrophobicContact CG-CD1 4.19Å; L57-Y170 HydrophobicContact CG-CD2 4.48Å; L57-Y170 HydrophobicContact CG-CE1 4.3Å; L57-Y170 HydrophobicContact CG-CG 4.29Å; S71-Y170 VanDerWaalsContact C-OH 3.26Å; S71-Y170 WeakPolarHBondContact CB-OH 3.38Å; S71-Y170 PolarHBondContact OG-OH 2.99Å; A72-Y170 WeakPolarHBondContact CA-OH 3.44Å; A72-Y170 PolarHBondContact N-OH 3.25Å; V75-Y170 HydrophobicContact CG2-CE2 4.25Å; F166-Y170 AromaticContact CD1-CD2 3.77Å; F166-Y170 HydrophobicContact CD1-CD2 3.77Å; F166-Y170 AromaticContact CD1-CE2 3.52Å; F166-Y170 HydrophobicContact CD1-CE2 3.52Å; F166-Y170 HydrophobicContact CE1-CD2 4.48Å; F166-Y170 AromaticContact CE1-CE2 3.79Å; F166-Y170 HydrophobicContact CE1-CE2 3.79Å; F166-Y170 WeakPolarHBondContact O-CB 3.49Å; F166-Y170 WeakPolarHBondContact O-CD2 3.39Å; F166-Y170 PolarHBondContact O-N 2.87Å; Y170-Y172 PolarHBondContact O-N 2.85Å; Y170-F175 AromaticContact CD1-CD2 3.77Å; Y170-F175 HydrophobicContact CD1-CD2 3.77Å; Y170-F175 AromaticContact CD1-CE2 3.69Å; Y170-F175 HydrophobicContact CD1-CE2 3.69Å; Y170-F175 HydrophobicContact CD1-CG 4.47Å; Y170-F175 HydrophobicContact CD1-CZ 4.36Å; Y170-F175 HydrophobicContact CE1-CD2 4.16Å; Y170-F175 AromaticContact CE1-CE2 3.61Å; Y170-F175 HydrophobicContact CE1-CE2 3.61Å; Y170-F175 HydrophobicContact CE1-CZ 4.19Å |
| 171 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -52.5 | 113.9 | 172.4 | 174.2 | -116.7 | 0 | 0 | 0 | 111 | H52 G167 G173 G174 F175 F181 Y186 L189 A276 L278 | H52-F171 AromaticContact CD2-CD2 3.63Å; H52-F171 AromaticContact CE1-CD2 3.76Å; H52-F171 AromaticContact CG-CD2 3.85Å; H52-F171 AromaticContact ND1-CD2 3.94Å; H52-F171 AromaticContact NE2-CD2 3.57Å; H52-F171 AromaticContact NE2-CE2 3.6Å; G167-F171 PolarHBondContact O-N 2.84Å; G167-F171 VanDerWaalsContact O-N 3.07Å; F171-G173 PolarHBondContact O-N 2.96Å; F171-G174 PolarHBondContact O-N 3.38Å; F171-F175 PolarHBondContact O-N 2.81Å; F171-F181 HydrophobicContact CB-CZ 4.15Å; F171-F181 HydrophobicContact CD1-CE1 4.14Å; F171-F181 AromaticContact CD1-CZ 3.77Å; F171-F181 HydrophobicContact CD1-CZ 3.77Å; F171-F181 HydrophobicContact CG-CZ 4.35Å; F171-Y186 HydrophobicContact CB-CD2 4.48Å; F171-Y186 HydrophobicContact CB-CE2 4.2Å; F171-L189 HydrophobicContact CD2-CD2 4.34Å; F171-L189 HydrophobicContact CE2-CD2 3.92Å; F171-L189 HydrophobicContact CZ-CD2 4.11Å; F171-A276 HydrophobicContact CE2-CB 4.26Å; F171-A276 HydrophobicContact CZ-CB 3.82Å; F171-L278 HydrophobicContact CD1-CD2 3.93Å; F171-L278 HydrophobicContact CE1-CD2 3.55Å; F171-L278 HydrophobicContact CZ-CD2 4.37Å | ||
| 172 | Y | 97.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.2 | -169.6 | 59.4 | -92.9 | 0 | 0 | 0 | 113.7 | F32 A33 F51 H52 S55 Y170 G174 V272 | F32-Y172 HydrophobicContact CB-CD1 4.22Å; F32-Y172 HydrophobicContact CB-CD2 3.66Å; F32-Y172 HydrophobicContact CB-CE1 4.26Å; F32-Y172 HydrophobicContact CB-CE2 3.72Å; F32-Y172 HydrophobicContact CB-CG 3.95Å; F32-Y172 HydrophobicContact CD2-CD2 4.16Å; F32-Y172 HydrophobicContact CD2-CG 4.01Å; F32-Y172 HydrophobicContact CG-CD2 4.44Å; F32-Y172 HydrophobicContact CG-CG 4.42Å; A33-Y172 VanDerWaalsContact CA-OH 3.26Å; A33-Y172 WeakPolarHBondContact CA-OH 3.41Å; A33-Y172 HydrophobicContact CB-CE2 4.11Å; F51-Y172 HydrophobicContact CD1-CE1 4.17Å; F51-Y172 HydrophobicContact CE1-CD1 4.06Å; F51-Y172 AromaticContact CE1-CE1 3.52Å; F51-Y172 HydrophobicContact CE1-CE1 3.52Å; F51-Y172 HydrophobicContact CZ-CE1 4.39Å; H52-Y172 AromaticContact CD2-CD1 3.85Å; H52-Y172 AromaticContact CD2-CE1 3.52Å; H52-Y172 AromaticContact NE2-CE1 3.78Å; S55-Y172 WeakPolarHBondContact OG-CD1 3.45Å; Y170-Y172 PolarHBondContact O-N 2.85Å; Y172-G174 VanDerWaalsContact C-N 3.29Å; Y172-G174 PolarHBondContact O-N 3.43Å; Y172-V272 HydrophobicContact CD2-CG1 3.92Å; Y172-V272 HydrophobicContact CE2-CG1 3.68Å |
| 173 | G | 96.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 9.5 Ų | 9.5 | 6% | 0.062 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F171 C273 | F171-G173 PolarHBondContact O-N 2.96Å; G173-C273 VanDerWaalsContact C-SG 3.58Å; G173-C273 PolarHBondContact O-SG 3.4Å |
| 174 | G | 94.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 3.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F171 Y172 G178 | F171-G174 PolarHBondContact O-N 3.38Å; Y172-G174 VanDerWaalsContact C-N 3.29Å; Y172-G174 PolarHBondContact O-N 3.43Å; G174-G178 WeakPolarHBondContact CA-O 3.5Å; G174-G178 WeakPolarHBondContact O-CA 3.43Å |
| 175 | F | 94.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 12.1 Ų | 12.1 | 4% | 0.039 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -72.4 | -46.3 | -177 | 168.7 | -106.5 | 0 | 0 | 0 | 112.9 | L59 A60 P122 Y170 F171 | L59-F175 HydrophobicContact CB-CD1 4.5Å; A60-F175 HydrophobicContact CB-CE1 3.55Å; A60-F175 HydrophobicContact CB-CZ 3.5Å; A60-F175 VanDerWaalsContact CB-CZ 3.5Å; P122-F175 HydrophobicContact CB-CZ 4.38Å; P122-F175 VanDerWaalsContact CB-O 3.3Å; P122-F175 WeakPolarHBondContact CB-O 3.35Å; P122-F175 HydrophobicContact CG-CZ 4.5Å; Y170-F175 AromaticContact CD1-CD2 3.77Å; Y170-F175 HydrophobicContact CD1-CD2 3.77Å; Y170-F175 AromaticContact CD1-CE2 3.69Å; Y170-F175 HydrophobicContact CD1-CE2 3.69Å; Y170-F175 HydrophobicContact CD1-CG 4.47Å; Y170-F175 HydrophobicContact CD1-CZ 4.36Å; Y170-F175 HydrophobicContact CE1-CD2 4.16Å; Y170-F175 AromaticContact CE1-CE2 3.61Å; Y170-F175 HydrophobicContact CE1-CE2 3.61Å; Y170-F175 HydrophobicContact CE1-CZ 4.19Å; F171-F175 PolarHBondContact O-N 2.81Å |
| 176 | L | 94 | Very high | 96.5 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -78.2 | -56.9 | -169.2 | -71.9 | 172.1 | 0 | 0 | 0 | 113.7 | L22 L59 F64 P122 | L22-L176 HydrophobicContact CD1-CB 4.21Å; L22-L176 HydrophobicContact CD1-CD1 4.32Å; L59-L176 HydrophobicContact CB-CD1 4.36Å; L59-L176 HydrophobicContact CD1-CD1 4.24Å; F64-L176 HydrophobicContact CE2-CD2 3.97Å; F64-L176 HydrophobicContact CZ-CD2 4.41Å; P122-L176 WeakPolarHBondContact CA-O 3.48Å; P122-L176 WeakPolarHBondContact CB-O 3.23Å |
| 177 | V | 92.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 11.9 Ų | 11.9 | 8% | 0.079 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -119.8 | 11.5 | -170.5 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | L22 V26 M121 C265 W266 A269 | L22-V177 HydrophobicContact CD1-CG1 3.92Å; L22-V177 HydrophobicContact CD2-CG1 4.41Å; V26-V177 HydrophobicContact CG2-CG1 4.41Å; V26-V177 HydrophobicContact CG2-CG2 4.22Å; M121-V177 HydrophobicContact CE-CG1 4.3Å; M121-V177 HydrophobicContact SD-CG1 4.3Å; V177-C265 HydrophobicContact CG1-CB 4.38Å; V177-C265 HydrophobicContact CG2-CB 4.46Å; V177-W266 PolarHBondContact O-NE1 3.17Å; V177-W266 VanDerWaalsContact O-NE1 3.12Å; V177-A269 HydrophobicContact CG2-CB 3.66Å |
| 178 | G | 89.3 | Confident | 96.4 | Very high | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | trans | 81.1 | -170.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G174 | G174-G178 WeakPolarHBondContact CA-O 3.5Å; G174-G178 WeakPolarHBondContact O-CA 3.43Å | ||
| 179 | P | 93.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | cis | -81.1 | 168.8 | 18 | 30.7 | -34.4 | 0 | 0 | 0 | 115 | F181 C293 N295 | P179-F181 VanDerWaalsContact O-CD1 3.26Å; P179-F181 WeakPolarHBondContact O-CD1 3.46Å; P179-C293 WeakPolarHBondContact CB-O 3.49Å; P179-C293 HydrophobicContact CG-CB 3.65Å; P179-C293 VanDerWaalsContact CG-O 3.27Å; P179-C293 WeakPolarHBondContact CG-O 3.47Å; P179-N295 WeakPolarHBondContact CA-ND2 3.17Å | ||
| 180 | Q | 95.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | trans | -72.8 | 136.4 | 168.4 | -73.7 | -64 | -28.4 | 0 | 0 | 110.7 | V125 N317 | V125-Q180 VanDerWaalsContact CA-NE2 3.33Å; V125-Q180 PolarHBondContact O-NE2 3.48Å; Q180-N317 HydrophobicContact CB-CB 3.83Å; Q180-N317 WeakPolarHBondContact O-CB 3.49Å | ||
| 181 | F | 96.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 7% | 0.066 | 9% | 0.093 | C | C | . | . | trans | -154.1 | 160.5 | 173.2 | 56.9 | -87.3 | 0 | 0 | 0 | 109.9 | K129 F168 F171 P179 Y186 L278 | K129-F181 VanDerWaalsContact NZ-CZ 3.31Å; F168-F181 HydrophobicContact CD2-CD2 4.07Å; F168-F181 AromaticContact CD2-CE2 3.54Å; F168-F181 HydrophobicContact CD2-CE2 3.54Å; F168-F181 HydrophobicContact CD2-CZ 4.38Å; F168-F181 AromaticContact CE2-CD2 3.69Å; F168-F181 HydrophobicContact CE2-CD2 3.69Å; F168-F181 AromaticContact CE2-CE2 3.56Å; F168-F181 HydrophobicContact CE2-CE2 3.56Å; F168-F181 HydrophobicContact CE2-CZ 4.38Å; F168-F181 WeakPolarHBondContact CE2-O 3.31Å; F171-F181 HydrophobicContact CB-CZ 4.15Å; F171-F181 HydrophobicContact CD1-CE1 4.14Å; F171-F181 AromaticContact CD1-CZ 3.77Å; F171-F181 HydrophobicContact CD1-CZ 3.77Å; F171-F181 HydrophobicContact CG-CZ 4.35Å; P179-F181 VanDerWaalsContact O-CD1 3.26Å; P179-F181 WeakPolarHBondContact O-CD1 3.46Å; F181-Y186 HydrophobicContact CE2-CD2 4.33Å; F181-L278 HydrophobicContact CD1-CD2 3.83Å; F181-L278 HydrophobicContact CD2-CD1 4.42Å; F181-L278 HydrophobicContact CD2-CD2 4.02Å; F181-L278 HydrophobicContact CE1-CD2 3.9Å; F181-L278 HydrophobicContact CE2-CD2 4.07Å; F181-L278 HydrophobicContact CG-CD2 3.91Å; F181-L278 HydrophobicContact CZ-CD2 4.01Å | ||
| 182 | T | 97.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 22 Ų | 22 | 9% | 0.092 | 11% | 0.107 | C | C | . | . | trans | -85.1 | 157.6 | -177.7 | 64 | 0 | 0 | 0 | 0 | 111.5 | A154 R184 N185 Y186 R324 | A154-T182 HydrophobicContact CB-CG2 3.78Å; T182-R184 PolarHBondContact O-N 3.28Å; T182-N185 PolarHBondContact O-N 3Å; T182-N185 VanDerWaalsContact O-N 3.13Å; T182-N185 PolarHBondContact OG1-N 3.49Å; T182-N185 VanDerWaalsContact OG1-N 3.17Å; T182-Y186 PolarHBondContact O-N 3.05Å; T182-Y186 VanDerWaalsContact O-N 3.15Å; T182-R324 VanDerWaalsContact CG2-NH1 3.33Å | ||
| 183 | M | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.6 | -35.3 | 169.1 | 174.1 | 60.9 | 79.4 | 0 | 0 | 111.6 | L133 L156 P160 E164 V165 F168 N185 Y186 Q187 | L133-M183 HydrophobicContact CD1-CB 3.82Å; L133-M183 HydrophobicContact CD1-CE 4.2Å; L133-M183 HydrophobicContact CD1-CG 4.03Å; L133-M183 HydrophobicContact CD2-CE 4.23Å; L156-M183 HydrophobicContact CD1-CB 3.9Å; L156-M183 HydrophobicContact CD1-CG 3.9Å; L156-M183 HydrophobicContact CD2-CB 4.17Å; L156-M183 HydrophobicContact CD2-CG 3.91Å; P160-M183 HydrophobicContact CB-CE 4.17Å; P160-M183 HydrophobicContact CG-CE 4.28Å; P160-M183 HydrophobicContact CG-CG 4.01Å; E164-M183 HydrophobicContact CB-SD 4.42Å; V165-M183 HydrophobicContact CG2-CE 4.18Å; F168-M183 HydrophobicContact CB-CE 3.36Å; F168-M183 HydrophobicContact CB-SD 3.79Å; F168-M183 HydrophobicContact CD1-CE 3.63Å; F168-M183 HydrophobicContact CD2-CE 4.41Å; F168-M183 HydrophobicContact CD2-SD 4.4Å; F168-M183 HydrophobicContact CG-CE 3.56Å; F168-M183 HydrophobicContact CG-SD 4.04Å; M183-N185 VanDerWaalsContact C-N 3.34Å; M183-N185 PolarHBondContact O-N 2.87Å; M183-Y186 WeakPolarHBondContact O-CB 3.2Å; M183-Y186 PolarHBondContact O-N 3.24Å; M183-Y186 VanDerWaalsContact O-N 3.13Å; M183-Y186 HydrophobicContact SD-CD1 3.93Å; M183-Q187 HydrophobicContact CG-CG 4.41Å; M183-Q187 WeakPolarHBondContact O-CG 3.27Å; M183-Q187 PolarHBondContact O-N 3.22Å; M183-Q187 HydrophobicContact SD-CG 4.27Å |
| 184 | R | 97.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 27.7 Ų | 27.7 | 33% | 0.325 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 176.4 | -171 | 63.2 | 171.3 | 171.2 | 2 | 112.2 | K153 L156 T182 Y186 Q187 K188 | K153-R184 WeakPolarHBondContact O-CG 3.4Å; L156-R184 HydrophobicContact CD2-CB 4.23Å; T182-R184 PolarHBondContact O-N 3.28Å; R184-Y186 VanDerWaalsContact C-N 3.32Å; R184-Q187 PolarHBondContact O-N 3.42Å; R184-K188 WeakPolarHBondContact O-CG 3.33Å; R184-K188 PolarHBondContact O-N 3.44Å |
| 185 | N | 97.6 | Very high | 96.1 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.7 | -70.9 | -7.6 | 0 | 0 | 0 | 111.3 | T182 M183 K188 L189 L278 | T182-N185 PolarHBondContact O-N 3Å; T182-N185 VanDerWaalsContact O-N 3.13Å; T182-N185 PolarHBondContact OG1-N 3.49Å; T182-N185 VanDerWaalsContact OG1-N 3.17Å; M183-N185 VanDerWaalsContact C-N 3.34Å; M183-N185 PolarHBondContact O-N 2.87Å; N185-K188 PolarHBondContact O-N 3.3Å; N185-L189 PolarHBondContact O-N 3.23Å; N185-L278 HydrophobicContact CB-CD1 4.1Å |
| 186 | Y | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 175 | 179.2 | -101.4 | 0 | 0 | 0 | 112.9 | H49 H52 G167 F168 F171 F181 T182 M183 R184 K188 L189 V190 | H49-Y186 AromaticContact CE1-CE1 3.56Å; H49-Y186 AromaticContact ND1-CE1 3.45Å; H49-Y186 WeakPolarHBondContact ND1-CE1 3.27Å; H49-Y186 AromaticContact ND1-CZ 3.56Å; H49-Y186 PolarHBondContact ND1-OH 2.89Å; H52-Y186 AromaticContact ND1-CE2 3.38Å; H52-Y186 WeakPolarHBondContact ND1-CE2 3.5Å; H52-Y186 AromaticContact ND1-CZ 3.65Å; H52-Y186 PolarHBondContact ND1-OH 3.39Å; H52-Y186 VanDerWaalsContact ND1-OH 3.1Å; G167-Y186 WeakPolarHBondContact CA-OH 3.38Å; G167-Y186 VanDerWaalsContact O-CE2 3.22Å; G167-Y186 WeakPolarHBondContact O-CE2 3.36Å; G167-Y186 VanDerWaalsContact O-CZ 3.29Å; G167-Y186 PolarHBondContact O-OH 2.9Å; F168-Y186 HydrophobicContact CB-CD1 3.74Å; F168-Y186 HydrophobicContact CB-CD2 4.45Å; F168-Y186 HydrophobicContact CB-CE1 4.1Å; F168-Y186 HydrophobicContact CB-CG 3.94Å; F168-Y186 HydrophobicContact CD2-CG 4.11Å; F168-Y186 VanDerWaalsContact N-CZ 3.34Å; F171-Y186 HydrophobicContact CB-CD2 4.48Å; F171-Y186 HydrophobicContact CB-CE2 4.2Å; F181-Y186 HydrophobicContact CE2-CD2 4.33Å; T182-Y186 PolarHBondContact O-N 3.05Å; T182-Y186 VanDerWaalsContact O-N 3.15Å; M183-Y186 WeakPolarHBondContact O-CB 3.2Å; M183-Y186 PolarHBondContact O-N 3.24Å; M183-Y186 VanDerWaalsContact O-N 3.13Å; M183-Y186 HydrophobicContact SD-CD1 3.93Å; R184-Y186 VanDerWaalsContact C-N 3.32Å; Y186-K188 VanDerWaalsContact C-N 3.29Å; Y186-K188 PolarHBondContact O-N 2.86Å; Y186-L189 WeakPolarHBondContact O-CB 3.37Å; Y186-L189 PolarHBondContact O-N 3.24Å; Y186-V190 HydrophobicContact CD1-CG2 4.48Å; Y186-V190 HydrophobicContact CE1-CG2 3.98Å; Y186-V190 HydrophobicContact CE2-CG2 4.16Å; Y186-V190 WeakPolarHBondContact O-CG2 3.49Å; Y186-V190 PolarHBondContact O-N 2.9Å |
| 187 | Q | 98.5 | Very high | 96.2 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.15 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 174.3 | -73.4 | 178.4 | -32.7 | 0 | 0 | 111.1 | E164 M183 R184 L189 V190 S191 | E164-Q187 PolarHBondContact OE1-NE2 3.07Å; M183-Q187 HydrophobicContact CG-CG 4.41Å; M183-Q187 WeakPolarHBondContact O-CG 3.27Å; M183-Q187 PolarHBondContact O-N 3.22Å; M183-Q187 HydrophobicContact SD-CG 4.27Å; R184-Q187 PolarHBondContact O-N 3.42Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-L189 PolarHBondContact O-N 3.04Å; Q187-V190 PolarHBondContact O-N 3.39Å; Q187-S191 WeakPolarHBondContact O-CB 3.42Å; Q187-S191 PolarHBondContact O-N 3.06Å; Q187-S191 PolarHBondContact O-OG 3.29Å; Q187-S191 VanDerWaalsContact O-OG 3.11Å |
| 188 | K | 97.7 | Very high | 96.2 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64 | -35.4 | 175.8 | -71.8 | -175.8 | 171.6 | -173.2 | 0 | 113.9 | R184 N185 Y186 S191 R192 E193 L194 | R184-K188 WeakPolarHBondContact O-CG 3.33Å; R184-K188 PolarHBondContact O-N 3.44Å; N185-K188 PolarHBondContact O-N 3.3Å; Y186-K188 VanDerWaalsContact C-N 3.29Å; Y186-K188 PolarHBondContact O-N 2.86Å; K188-S191 WeakPolarHBondContact CA-OG 3.43Å; K188-S191 PolarHBondContact O-OG 3.47Å; K188-R192 PolarHBondContact O-N 3.33Å; K188-R192 VanDerWaalsContact O-N 3.11Å; K188-E193 HydrophobicContact CB-CB 4.13Å; K188-E193 HydrophobicContact CG-CB 4.35Å; K188-E193 PolarHBondContact O-N 2.9Å; K188-L194 HydrophobicContact CB-CD1 4.2Å; K188-L194 HydrophobicContact CB-CD2 3.8Å; K188-L194 HydrophobicContact CB-CG 3.75Å; K188-L194 HydrophobicContact CD-CD2 4.11Å |
| 189 | L | 97.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 172.6 | 173 | 67.1 | 0 | 0 | 0 | 110.1 | F171 N185 Y186 Q187 S191 R192 L194 A276 L278 | F171-L189 HydrophobicContact CD2-CD2 4.34Å; F171-L189 HydrophobicContact CE2-CD2 3.92Å; F171-L189 HydrophobicContact CZ-CD2 4.11Å; N185-L189 PolarHBondContact O-N 3.23Å; Y186-L189 WeakPolarHBondContact O-CB 3.37Å; Y186-L189 PolarHBondContact O-N 3.24Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-L189 PolarHBondContact O-N 3.04Å; L189-S191 PolarHBondContact O-N 3.35Å; L189-R192 PolarHBondContact O-N 2.89Å; L189-R192 VanDerWaalsContact O-N 3.08Å; L189-L194 HydrophobicContact CB-CD1 4.06Å; L189-A276 VanDerWaalsContact CD1-O 3.23Å; L189-A276 WeakPolarHBondContact CD1-O 3.49Å; L189-L278 HydrophobicContact CB-CD1 4.05Å; L189-L278 HydrophobicContact CD1-CB 4.37Å; L189-L278 HydrophobicContact CD2-CB 4.23Å; L189-L278 HydrophobicContact CD2-CD1 4.21Å |
| 190 | V | 98 | Very high | 96.3 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.7 | -34.4 | -177 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | A45 V48 Y186 Q187 R192 | A45-V190 HydrophobicContact CB-CG1 3.56Å; V48-V190 HydrophobicContact CB-CG1 4.24Å; V48-V190 HydrophobicContact CG1-CG1 4.23Å; V48-V190 HydrophobicContact CG1-CG2 3.97Å; Y186-V190 HydrophobicContact CD1-CG2 4.48Å; Y186-V190 HydrophobicContact CE1-CG2 3.98Å; Y186-V190 HydrophobicContact CE2-CG2 4.16Å; Y186-V190 WeakPolarHBondContact O-CG2 3.49Å; Y186-V190 PolarHBondContact O-N 2.9Å; Q187-V190 PolarHBondContact O-N 3.39Å; V190-R192 PolarHBondContact O-N 3.31Å |
| 191 | S | 96.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.6 | 172.9 | 68.3 | 0 | 0 | 0 | 0 | 114 | Q187 K188 L189 E193 | Q187-S191 WeakPolarHBondContact O-CB 3.42Å; Q187-S191 PolarHBondContact O-N 3.06Å; Q187-S191 PolarHBondContact O-OG 3.29Å; Q187-S191 VanDerWaalsContact O-OG 3.11Å; K188-S191 WeakPolarHBondContact CA-OG 3.43Å; K188-S191 PolarHBondContact O-OG 3.47Å; L189-S191 PolarHBondContact O-N 3.35Å; S191-E193 VanDerWaalsContact C-N 3.28Å; S191-E193 WeakPolarHBondContact CB-OE1 3.33Å; S191-E193 PolarHBondContact O-N 3.21Å; S191-E193 VanDerWaalsContact OG-CD 3.22Å; S191-E193 WeakPolarHBondContact OG-CG 3.25Å; S191-E193 PolarHBondContact OG-OE1 3.37Å |
| 192 | R | 96.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 25.8 | 176 | -44.3 | 162.7 | -161.2 | 175.6 | -4.3 | 113.6 | F41 Y42 Q43 K188 L189 V190 | F41-R192 HydrophobicContact CE2-CB 4.38Å; F41-R192 HydrophobicContact CE2-CG 4.31Å; F41-R192 HydrophobicContact CZ-CB 4.09Å; F41-R192 HydrophobicContact CZ-CG 4.24Å; F41-R192 WeakPolarHBondContact O-CD 3.24Å; F41-R192 PolarHBondContact O-NE 3.39Å; F41-R192 PolarHBondContact O-NH2 3.11Å; Y42-R192 PolarHBondContact O-NH2 3.01Å; Q43-R192 PolarHBondContact O-NH2 2.86Å; K188-R192 PolarHBondContact O-N 3.33Å; K188-R192 VanDerWaalsContact O-N 3.11Å; L189-R192 PolarHBondContact O-N 2.89Å; L189-R192 VanDerWaalsContact O-N 3.08Å; V190-R192 PolarHBondContact O-N 3.31Å |
| 193 | E | 96.1 | Very high | 96.2 | Very high | 112 Ų | 112 | 48.6 Ų | 48.6 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | trans | -80.1 | -20.2 | 177.7 | -73.2 | 170.3 | -130.5 | 0 | 0 | 112.9 | K188 S191 T195 | K188-E193 HydrophobicContact CB-CB 4.13Å; K188-E193 HydrophobicContact CG-CB 4.35Å; K188-E193 PolarHBondContact O-N 2.9Å; S191-E193 VanDerWaalsContact C-N 3.28Å; S191-E193 WeakPolarHBondContact CB-OE1 3.33Å; S191-E193 PolarHBondContact O-N 3.21Å; S191-E193 VanDerWaalsContact OG-CD 3.22Å; S191-E193 WeakPolarHBondContact OG-CG 3.25Å; S191-E193 PolarHBondContact OG-OE1 3.37Å; E193-T195 VanDerWaalsContact C-N 3.32Å; E193-T195 PolarHBondContact O-N 3.31Å | ||
| 194 | L | 96.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -85.4 | 69.7 | -178.6 | -59.1 | -176.7 | 0 | 0 | 0 | 111.5 | K188 L189 G277 L278 | K188-L194 HydrophobicContact CB-CD1 4.2Å; K188-L194 HydrophobicContact CB-CD2 3.8Å; K188-L194 HydrophobicContact CB-CG 3.75Å; K188-L194 HydrophobicContact CD-CD2 4.11Å; L189-L194 HydrophobicContact CB-CD1 4.06Å; L194-G277 WeakPolarHBondContact CB-O 3.4Å; L194-L278 HydrophobicContact CD1-CD1 3.91Å |
| 195 | T | 95.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | trans | -145.9 | 149.1 | -177.3 | -173.3 | 0 | 0 | 0 | 0 | 113.3 | E193 C197 K200 Y280 | E193-T195 VanDerWaalsContact C-N 3.32Å; E193-T195 PolarHBondContact O-N 3.31Å; T195-C197 PolarHBondContact OG1-N 3.06Å; T195-C197 PolarHBondContact OG1-O 3.41Å; T195-K200 PolarHBondContact OG1-O 2.93Å; T195-Y280 WeakPolarHBondContact O-CE1 3.29Å | ||
| 196 | D | 95.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -83.1 | -16.3 | 167.2 | 63.5 | -52.4 | 0 | 0 | 0 | 112.7 | P202 N203 Y280 H288 W290 | D196-P202 WeakPolarHBondContact OD1-CA 3.22Å; D196-N203 PolarHBondContact OD1-N 2.88Å; D196-N203 VanDerWaalsContact OD2-CB 3.25Å; D196-N203 WeakPolarHBondContact OD2-CB 3.36Å; D196-N203 PolarHBondContact OD2-ND2 2.91Å; D196-Y280 HydrophobicContact CB-CE2 3.96Å; D196-H288 HydrophobicContact CB-CB 4.4Å; D196-H288 VanDerWaalsContact CB-CE1 3.42Å; D196-H288 WeakPolarHBondContact CB-CE1 3.42Å; D196-H288 VanDerWaalsContact CB-ND1 3.28Å; D196-H288 WeakPolarHBondContact CB-ND1 3.18Å; D196-W290 HydrophobicContact CB-CZ2 4.28Å; D196-W290 WeakPolarHBondContact OD1-CH2 3.26Å |
| 197 | C | 94.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -129.4 | 90.4 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | T195 G199 K200 P201 | T195-C197 PolarHBondContact OG1-N 3.06Å; T195-C197 PolarHBondContact OG1-O 3.41Å; C197-G199 PolarHBondContact O-N 3.36Å; C197-K200 HydrophobicContact CB-CB 4.48Å; C197-K200 PolarHBondContact O-N 3.32Å; C197-K200 VanDerWaalsContact O-O 3.12Å; C197-P201 PolarHBondContact SG-O 3.14Å |
| 198 | P | 93 | Very high | 96.2 | Very high | 114 Ų | 114 | 49.3 Ų | 49.3 | 74% | 0.74 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 134.1 | -176.3 | -29.1 | 36.1 | 0 | 0 | 0 | 113.3 | K200 | P198-K200 PolarHBondContact O-N 3.32Š|
| 199 | G | 89.9 | Confident | 96.2 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 60% | 0.598 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -0.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y42 C197 | Y42-G199 WeakPolarHBondContact CE1-O 3.44Å; C197-G199 PolarHBondContact O-N 3.36Å |
| 200 | K | 94.9 | Very high | 96.2 | Very high | 135 Ų | 135 | 57.5 Ų | 57.5 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -125.6 | 158.1 | 175.8 | -65 | -178 | -176.3 | 178.5 | 0 | 110.9 | F41 T195 C197 P198 | F41-K200 VanDerWaalsContact CE1-C 3.42Å; F41-K200 VanDerWaalsContact CZ-C 3.43Å; F41-K200 VanDerWaalsContact CZ-O 3.24Å; F41-K200 WeakPolarHBondContact CZ-O 3.47Å; T195-K200 PolarHBondContact OG1-O 2.93Å; C197-K200 HydrophobicContact CB-CB 4.48Å; C197-K200 PolarHBondContact O-N 3.32Å; C197-K200 VanDerWaalsContact O-O 3.12Å; P198-K200 PolarHBondContact O-N 3.32Å |
| 201 | P | 95.6 | Very high | 96.2 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | trans | -57.9 | 131.9 | 172.2 | -25.4 | 33.3 | 0 | 0 | 0 | 111.7 | R37 F41 Y42 C197 | R37-P201 HydrophobicContact CG-CB 3.87Å; R37-P201 HydrophobicContact CG-CG 4.43Å; R37-P201 VanDerWaalsContact CZ-CB 3.47Å; R37-P201 PolarHBondContact NH2-O 3.02Å; F41-P201 HydrophobicContact CB-CG 4.36Å; F41-P201 HydrophobicContact CD1-CB 4.5Å; F41-P201 HydrophobicContact CD1-CG 3.69Å; F41-P201 HydrophobicContact CD2-CB 4.36Å; F41-P201 HydrophobicContact CD2-CG 4.31Å; F41-P201 HydrophobicContact CE1-CG 4.02Å; F41-P201 HydrophobicContact CE2-CB 4.44Å; F41-P201 HydrophobicContact CG-CB 4.39Å; F41-P201 HydrophobicContact CG-CG 3.85Å; F41-P201 HydrophobicContact CZ-CG 4.46Å; Y42-P201 WeakPolarHBondContact OH-CD 3.38Å; C197-P201 PolarHBondContact SG-O 3.14Å | ||
| 202 | P | 95.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | trans | -55.2 | 150 | -173.7 | 15.5 | -28.2 | 0 | 0 | 0 | 113.1 | R37 D196 S204 W290 | R37-P202 PolarHBondContact NH1-O 3.34Å; R37-P202 PolarHBondContact NH2-O 2.82Å; D196-P202 WeakPolarHBondContact OD1-CA 3.22Å; P202-S204 PolarHBondContact O-N 2.86Å; P202-S204 PolarHBondContact O-OG 3.19Å; P202-W290 HydrophobicContact CB-CH2 3.47Å; P202-W290 VanDerWaalsContact CB-CH2 3.47Å; P202-W290 HydrophobicContact CB-CZ3 3.83Å | ||
| 203 | N | 96.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 58.8 Ų | 58.8 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -77.4 | 54.9 | 175 | -62.2 | -60.9 | 0 | 0 | 0 | 112.1 | D196 | D196-N203 PolarHBondContact OD1-N 2.88Å; D196-N203 VanDerWaalsContact OD2-CB 3.25Å; D196-N203 WeakPolarHBondContact OD2-CB 3.36Å; D196-N203 PolarHBondContact OD2-ND2 2.91Å |
| 204 | S | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -96.9 | -5 | -170.2 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | P202 P207 A208 I274 L275 | P202-S204 PolarHBondContact O-N 2.86Å; P202-S204 PolarHBondContact O-OG 3.19Å; S204-P207 WeakPolarHBondContact O-CD 3.46Å; S204-A208 VanDerWaalsContact O-CB 3.22Å; S204-A208 WeakPolarHBondContact O-CB 3.43Å; S204-A208 PolarHBondContact O-N 3.01Å; S204-I274 WeakPolarHBondContact CB-O 3.44Å; S204-I274 PolarHBondContact OG-O 3.37Å; S204-L275 PolarHBondContact OG-O 2.76Å | ||
| 205 | V | 98 | Very high | 96.6 | Very high | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -51.3 | -176.1 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | A208 L209 L275 | V205-A208 PolarHBondContact O-N 3.34Å; V205-L209 HydrophobicContact CG1-CD1 4.02Å; V205-L209 HydrophobicContact CG1-CG 4.45Å; V205-L209 WeakPolarHBondContact O-CG 3.34Å; V205-L209 PolarHBondContact O-N 3.45Å; V205-L275 HydrophobicContact CG2-CD1 3.95Å |
| 206 | V | 97.9 | Very high | 96.7 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.1 | -47.5 | 179.9 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | A208 L209 K210 | V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 PolarHBondContact O-N 3.33Å; V206-L209 PolarHBondContact O-N 2.92Å; V206-K210 WeakPolarHBondContact O-CG 3.44Å; V206-K210 PolarHBondContact O-N 3.05Å |
| 207 | P | 97.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 63 Ų | 63 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.6 | -44.1 | 171.2 | -29.3 | 35.7 | 0 | 0 | 0 | 113.8 | S204 K210 R211 I274 W290 | S204-P207 WeakPolarHBondContact O-CD 3.46Å; P207-K210 PolarHBondContact O-N 3.04Å; P207-R211 PolarHBondContact O-N 3.36Å; P207-I274 HydrophobicContact CB-CG2 3.73Å; P207-W290 HydrophobicContact CB-CB 4.07Å; P207-W290 HydrophobicContact CB-CD2 4.33Å; P207-W290 HydrophobicContact CB-CG 3.81Å; P207-W290 HydrophobicContact CG-CD2 4.21Å; P207-W290 HydrophobicContact CG-CG 3.89Å |
| 208 | A | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y30 S204 V205 V206 K210 R211 F212 G271 I274 L275 | Y30-A208 HydrophobicContact CE1-CB 4.37Å; S204-A208 VanDerWaalsContact O-CB 3.22Å; S204-A208 WeakPolarHBondContact O-CB 3.43Å; S204-A208 PolarHBondContact O-N 3.01Å; V205-A208 PolarHBondContact O-N 3.34Å; V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 PolarHBondContact O-N 3.33Å; A208-K210 VanDerWaalsContact C-N 3.3Å; A208-K210 PolarHBondContact O-N 2.88Å; A208-R211 PolarHBondContact O-N 2.93Å; A208-R211 VanDerWaalsContact O-N 3.14Å; A208-F212 PolarHBondContact O-N 2.89Å; A208-G271 VanDerWaalsContact CB-O 3.26Å; A208-G271 WeakPolarHBondContact CB-O 3.3Å; A208-I274 HydrophobicContact CB-CB 4.35Å; A208-I274 HydrophobicContact CB-CG2 4.01Å; A208-L275 HydrophobicContact CB-CB 3.79Å; A208-L275 HydrophobicContact CB-CD1 4.39Å |
| 209 | L | 98.4 | Very high | 97 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 177.6 | -73 | 174.8 | 0 | 0 | 0 | 112.6 | V205 V206 F212 A213 | V205-L209 HydrophobicContact CG1-CD1 4.02Å; V205-L209 HydrophobicContact CG1-CG 4.45Å; V205-L209 WeakPolarHBondContact O-CG 3.34Å; V205-L209 PolarHBondContact O-N 3.45Å; V206-L209 PolarHBondContact O-N 2.92Å; L209-F212 WeakPolarHBondContact O-CB 3.31Å; L209-F212 PolarHBondContact O-N 3.24Å; L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.02Å |
| 210 | K | 98.2 | Very high | 97.3 | Very high | 144 Ų | 144 | 57.4 Ų | 57.4 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 173.1 | -74 | -180 | 178.3 | -175.8 | 0 | 111.7 | V206 P207 A208 L214 | V206-K210 WeakPolarHBondContact O-CG 3.44Å; V206-K210 PolarHBondContact O-N 3.05Å; P207-K210 PolarHBondContact O-N 3.04Å; A208-K210 VanDerWaalsContact C-N 3.3Å; A208-K210 PolarHBondContact O-N 2.88Å; K210-L214 WeakPolarHBondContact O-CB 3.28Å; K210-L214 PolarHBondContact O-N 2.79Å; K210-L214 VanDerWaalsContact O-N 3.08Å |
| 211 | R | 98.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 174.5 | -62.2 | -54.6 | -74.6 | 167.6 | -3.3 | 111 | P207 A208 A213 L214 G215 V267 E270 I274 M296 | P207-R211 PolarHBondContact O-N 3.36Å; A208-R211 PolarHBondContact O-N 2.93Å; A208-R211 VanDerWaalsContact O-N 3.14Å; R211-A213 PolarHBondContact O-N 2.75Å; R211-L214 PolarHBondContact O-N 3.45Å; R211-G215 PolarHBondContact O-N 2.6Å; R211-V267 HydrophobicContact CB-CG1 4.37Å; R211-V267 WeakPolarHBondContact CB-O 3.29Å; R211-V267 VanDerWaalsContact O-CG1 3.23Å; R211-V267 WeakPolarHBondContact O-CG1 3.24Å; R211-E270 IonicContact CZ-OE2 3.83Å; R211-E270 IonicContact NE-OE2 3.92Å; R211-E270 PolarHBondContact NE-OE2 2.86Å; R211-E270 IonicContact NH2-OE1 2.71Å; R211-E270 PolarHBondContact NH2-OE1 2.9Å; R211-E270 IonicContact NH2-OE2 2.97Å; R211-E270 PolarHBondContact NH2-OE2 3.37Å; R211-I274 HydrophobicContact CG-CD1 3.59Å; R211-M296 PolarHBondContact NH2-O 2.98Å |
| 212 | F | 98.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -51.9 | -54.3 | 173.2 | 179.7 | -93.6 | 0 | 0 | 0 | 112.1 | L27 Y30 A208 L209 L214 G215 F216 | L27-F212 HydrophobicContact CD2-CD2 4.5Å; L27-F212 HydrophobicContact CD2-CE2 3.66Å; L27-F212 HydrophobicContact CD2-CZ 4.47Å; Y30-F212 HydrophobicContact CD2-CD2 4.36Å; Y30-F212 HydrophobicContact CE1-CB 4.13Å; Y30-F212 HydrophobicContact CE1-CD2 4.33Å; Y30-F212 AromaticContact CE2-CD2 3.82Å; Y30-F212 HydrophobicContact CE2-CD2 3.82Å; Y30-F212 AromaticContact CZ-CD2 3.8Å; Y30-F212 WeakPolarHBondContact OH-CB 3.46Å; A208-F212 PolarHBondContact O-N 2.89Å; L209-F212 WeakPolarHBondContact O-CB 3.31Å; L209-F212 PolarHBondContact O-N 3.24Å; F212-L214 PolarHBondContact O-N 3.16Å; F212-G215 PolarHBondContact O-N 2.9Å; F212-F216 WeakPolarHBondContact O-CB 3.24Å; F212-F216 PolarHBondContact O-N 3.23Å |
| 213 | A | 98.4 | Very high | 97 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L209 R211 F216 L217 | L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.02Å; R211-A213 PolarHBondContact O-N 2.75Å; A213-F216 PolarHBondContact O-N 3.08Å; A213-L217 WeakPolarHBondContact O-CB 3.37Å; A213-L217 PolarHBondContact O-N 3.32Å |
| 214 | L | 98.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 177.2 | -179.4 | 61 | 0 | 0 | 0 | 112.1 | K210 R211 F212 L217 C218 V267 V298 | K210-L214 WeakPolarHBondContact O-CB 3.28Å; K210-L214 PolarHBondContact O-N 2.79Å; K210-L214 VanDerWaalsContact O-N 3.08Å; R211-L214 PolarHBondContact O-N 3.45Å; F212-L214 PolarHBondContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 2.84Å; L214-C218 PolarHBondContact O-N 3.4Å; L214-C218 PolarHBondContact O-SG 3.25Å; L214-V267 HydrophobicContact CB-CG1 4.12Å; L214-V267 HydrophobicContact CD2-CG1 4.27Å; L214-V267 HydrophobicContact CG-CG1 4.15Å; L214-V298 HydrophobicContact CD1-CG1 4.27Å; L214-V298 HydrophobicContact CD2-CB 4.05Å; L214-V298 HydrophobicContact CD2-CG2 3.74Å; L214-V298 HydrophobicContact CG-CG2 4.15Å |
| 215 | G | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R211 F212 C218 L219 S264 | R211-G215 PolarHBondContact O-N 2.6Å; F212-G215 PolarHBondContact O-N 2.9Å; G215-C218 WeakPolarHBondContact O-CB 3.47Å; G215-C218 PolarHBondContact O-N 3.43Å; G215-L219 PolarHBondContact O-N 3.44Å; G215-S264 VanDerWaalsContact O-CB 3.32Å; G215-S264 WeakPolarHBondContact O-CB 3.24Å |
| 216 | F | 97.3 | Very high | 96.4 | Very high | 118 Ų | 118 | 60.5 Ų | 60.5 | 52% | 0.518 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 172.8 | -173.6 | -95.3 | 0 | 0 | 0 | 112.1 | F212 A213 C218 L219 A220 | F212-F216 WeakPolarHBondContact O-CB 3.24Å; F212-F216 PolarHBondContact O-N 3.23Å; A213-F216 PolarHBondContact O-N 3.08Å; F216-C218 VanDerWaalsContact C-N 3.31Å; F216-C218 PolarHBondContact O-N 2.87Å; F216-L219 WeakPolarHBondContact O-CB 3.24Å; F216-L219 PolarHBondContact O-N 3.22Å; F216-L219 VanDerWaalsContact O-N 3.17Å; F216-A220 PolarHBondContact O-N 3.41Å |
| 217 | L | 97.5 | Very high | 96.1 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 173.1 | 178.9 | 64 | 0 | 0 | 0 | 111.5 | A213 L214 L219 A220 M221 | A213-L217 WeakPolarHBondContact O-CB 3.37Å; A213-L217 PolarHBondContact O-N 3.32Å; L214-L217 PolarHBondContact O-N 2.84Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.9Å; L217-A220 PolarHBondContact O-N 2.95Å; L217-M221 HydrophobicContact CG-CE 4.3Å; L217-M221 WeakPolarHBondContact O-CG 3.44Å; L217-M221 PolarHBondContact O-N 3.18Å |
| 218 | C | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175 | -61.6 | 0 | 0 | 0 | 0 | 112 | L214 G215 F216 M221 Y222 V263 | L214-C218 PolarHBondContact O-N 3.4Å; L214-C218 PolarHBondContact O-SG 3.25Å; G215-C218 WeakPolarHBondContact O-CB 3.47Å; G215-C218 PolarHBondContact O-N 3.43Å; F216-C218 VanDerWaalsContact C-N 3.31Å; F216-C218 PolarHBondContact O-N 2.87Å; C218-M221 HydrophobicContact CB-CE 4.45Å; C218-M221 PolarHBondContact O-N 3.37Å; C218-Y222 PolarHBondContact O-N 3.48Å; C218-V263 HydrophobicContact CB-CG1 4.19Å |
| 219 | L | 95.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.9 | -178.7 | 61.6 | 0 | 0 | 0 | 111.7 | I23 G215 F216 L217 Y222 A223 | I23-L219 HydrophobicContact CD1-CD2 4.26Å; I23-L219 HydrophobicContact CG1-CD2 4.24Å; G215-L219 PolarHBondContact O-N 3.44Å; F216-L219 WeakPolarHBondContact O-CB 3.24Å; F216-L219 PolarHBondContact O-N 3.22Å; F216-L219 VanDerWaalsContact O-N 3.17Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.9Å; L219-Y222 WeakPolarHBondContact O-CB 3.48Å; L219-Y222 PolarHBondContact O-N 3.46Å; L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 2.99Å |
| 220 | A | 95.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F216 L217 Y222 A223 I224 | F216-A220 PolarHBondContact O-N 3.41Å; L217-A220 PolarHBondContact O-N 2.95Å; A220-Y222 PolarHBondContact O-N 3.08Å; A220-A223 PolarHBondContact O-N 3.17Å; A220-I224 WeakPolarHBondContact O-CB 3.36Å; A220-I224 WeakPolarHBondContact O-CD1 3.47Å; A220-I224 VanDerWaalsContact O-CG1 3.24Å; A220-I224 WeakPolarHBondContact O-CG1 3.43Å; A220-I224 PolarHBondContact O-N 2.85Å |
| 221 | M | 95.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 58 Ų | 58 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174 | -70.8 | -172.7 | -66.3 | 0 | 0 | 111.6 | L217 C218 I224 F225 Y260 | L217-M221 HydrophobicContact CG-CE 4.3Å; L217-M221 WeakPolarHBondContact O-CG 3.44Å; L217-M221 PolarHBondContact O-N 3.18Å; C218-M221 HydrophobicContact CB-CE 4.45Å; C218-M221 PolarHBondContact O-N 3.37Å; M221-I224 PolarHBondContact O-N 3.19Å; M221-F225 HydrophobicContact CB-CD2 4.3Å; M221-F225 WeakPolarHBondContact O-CB 3.1Å; M221-F225 WeakPolarHBondContact O-CD2 3.47Å; M221-F225 PolarHBondContact O-N 3.39Å; M221-Y260 HydrophobicContact CB-CD2 3.6Å; M221-Y260 HydrophobicContact CB-CE2 3.71Å; M221-Y260 HydrophobicContact CE-CD2 3.92Å; M221-Y260 HydrophobicContact CE-CE2 3.32Å; M221-Y260 HydrophobicContact CG-CE2 4.3Å; M221-Y260 HydrophobicContact SD-CD2 4.44Å; M221-Y260 HydrophobicContact SD-CE2 3.64Å |
| 222 | Y | 94.1 | Very high | 95 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.2 | -53.5 | 174.5 | 174.7 | -103.3 | 0 | 0 | 0 | 111.2 | C218 L219 A220 I224 F225 S226 F257 K261 | C218-Y222 PolarHBondContact O-N 3.48Å; L219-Y222 WeakPolarHBondContact O-CB 3.48Å; L219-Y222 PolarHBondContact O-N 3.46Å; A220-Y222 PolarHBondContact O-N 3.08Å; Y222-I224 VanDerWaalsContact C-N 3.29Å; Y222-I224 PolarHBondContact O-N 3.37Å; Y222-F225 PolarHBondContact O-N 2.89Å; Y222-S226 WeakPolarHBondContact O-CB 3.21Å; Y222-S226 PolarHBondContact O-N 3.43Å; Y222-S226 PolarHBondContact O-OG 3.29Å; Y222-F257 WeakPolarHBondContact CD2-O 3.44Å; Y222-K261 HydrophobicContact CD1-CB 4.22Å; Y222-K261 HydrophobicContact CD2-CB 3.91Å; Y222-K261 HydrophobicContact CE1-CB 4.07Å; Y222-K261 HydrophobicContact CE2-CB 3.73Å; Y222-K261 HydrophobicContact CE2-CD 3.95Å; Y222-K261 HydrophobicContact CE2-CG 4.3Å; Y222-K261 HydrophobicContact CG-CB 4.15Å |
| 223 | A | 91.8 | Very high | 95 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L219 A220 P227 | L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 2.99Å; A220-A223 PolarHBondContact O-N 3.17Å; A223-P227 WeakPolarHBondContact O-CD 3.17Å |
| 224 | I | 93.3 | Very high | 94.9 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 59% | 0.59 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76.8 | -44.9 | 179.5 | -68.3 | 166.2 | 0 | 0 | 0 | 111.4 | A220 M221 Y222 | A220-I224 WeakPolarHBondContact O-CB 3.36Å; A220-I224 WeakPolarHBondContact O-CD1 3.47Å; A220-I224 VanDerWaalsContact O-CG1 3.24Å; A220-I224 WeakPolarHBondContact O-CG1 3.43Å; A220-I224 PolarHBondContact O-N 2.85Å; M221-I224 PolarHBondContact O-N 3.19Å; Y222-I224 VanDerWaalsContact C-N 3.29Å; Y222-I224 PolarHBondContact O-N 3.37Å |
| 225 | F | 94.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -97.4 | -31.5 | -169 | -65.9 | -68.3 | 0 | 0 | 0 | 114 | M221 Y222 P227 S228 F229 F257 | M221-F225 HydrophobicContact CB-CD2 4.3Å; M221-F225 WeakPolarHBondContact O-CB 3.1Å; M221-F225 WeakPolarHBondContact O-CD2 3.47Å; M221-F225 PolarHBondContact O-N 3.39Å; Y222-F225 PolarHBondContact O-N 2.89Å; F225-P227 VanDerWaalsContact C-N 3.33Å; F225-S228 WeakPolarHBondContact O-CB 3.31Å; F225-S228 PolarHBondContact O-N 2.93Å; F225-F229 VanDerWaalsContact O-CD2 3.28Å; F225-F229 WeakPolarHBondContact O-CD2 3.45Å; F225-F257 HydrophobicContact CB-CB 4.38Å; F225-F257 HydrophobicContact CB-CD1 3.52Å; F225-F257 HydrophobicContact CB-CD2 3.9Å; F225-F257 HydrophobicContact CB-CE1 3.62Å; F225-F257 HydrophobicContact CB-CE2 4Å; F225-F257 HydrophobicContact CB-CG 3.67Å; F225-F257 HydrophobicContact CB-CZ 3.86Å; F225-F257 HydrophobicContact CD1-CE1 4.31Å; F225-F257 HydrophobicContact CD1-CE2 4.48Å; F225-F257 HydrophobicContact CD1-CZ 4.03Å; F225-F257 AromaticContact CD2-CD1 3.94Å; F225-F257 HydrophobicContact CD2-CD1 3.94Å; F225-F257 AromaticContact CD2-CE1 3.39Å; F225-F257 HydrophobicContact CD2-CE1 3.39Å; F225-F257 AromaticContact CD2-CZ 3.93Å; F225-F257 HydrophobicContact CD2-CZ 3.93Å; F225-F257 HydrophobicContact CE2-CE1 4.13Å; F225-F257 AromaticContact CG-CD1 3.95Å; F225-F257 HydrophobicContact CG-CD1 3.95Å; F225-F257 AromaticContact CG-CE1 3.52Å; F225-F257 HydrophobicContact CG-CE1 3.52Å; F225-F257 HydrophobicContact CG-CE2 4.23Å; F225-F257 HydrophobicContact CG-CG 4.47Å; F225-F257 AromaticContact CG-CZ 3.67Å; F225-F257 HydrophobicContact CG-CZ 3.67Å |
| 226 | S | 91.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 57.7 Ų | 57.7 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -58.8 | -33.5 | -176.7 | 77.3 | 0 | 0 | 0 | 0 | 114.5 | Y222 S228 F229 | Y222-S226 WeakPolarHBondContact O-CB 3.21Å; Y222-S226 PolarHBondContact O-N 3.43Å; Y222-S226 PolarHBondContact O-OG 3.29Å; S226-S228 PolarHBondContact O-N 3.01Å; S226-F229 CarbonylContact O-C 3.6Å; S226-F229 PolarHBondContact O-N 3.08Å |
| 227 | P | 91.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62.3 | -24.9 | 176 | -23.9 | 36.2 | 0 | 0 | 0 | 113.9 | A223 F225 F229 | A223-P227 WeakPolarHBondContact O-CD 3.17Å; F225-P227 VanDerWaalsContact C-N 3.33Å; P227-F229 VanDerWaalsContact C-N 3.35Å |
| 228 | S | 94.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -82.5 | -13.4 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | F225 S226 P230 | F225-S228 WeakPolarHBondContact O-CB 3.31Å; F225-S228 PolarHBondContact O-N 2.93Å; S226-S228 PolarHBondContact O-N 3.01Å; S228-P230 VanDerWaalsContact C-CD 3.46Å |
| 229 | F | 95.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -131.1 | 62 | 179.8 | -53.6 | -80.9 | 0 | 0 | 0 | 110.4 | F225 S226 P227 F250 L253 W254 F257 | F225-F229 VanDerWaalsContact O-CD2 3.28Å; F225-F229 WeakPolarHBondContact O-CD2 3.45Å; S226-F229 CarbonylContact O-C 3.6Å; S226-F229 PolarHBondContact O-N 3.08Å; P227-F229 VanDerWaalsContact C-N 3.35Å; F229-F250 HydrophobicContact CB-CZ 4.19Å; F229-F250 AromaticContact CD1-CD2 3.97Å; F229-F250 HydrophobicContact CD1-CD2 3.97Å; F229-F250 AromaticContact CD1-CE2 3.67Å; F229-F250 HydrophobicContact CD1-CE2 3.67Å; F229-F250 HydrophobicContact CD1-CZ 4.08Å; F229-F250 HydrophobicContact CE1-CD2 4.39Å; F229-F250 HydrophobicContact CE1-CE2 4.4Å; F229-L253 HydrophobicContact CD1-CB 3.88Å; F229-L253 HydrophobicContact CE1-CB 3.5Å; F229-L253 VanDerWaalsContact CE1-CB 3.5Å; F229-L253 HydrophobicContact CE1-CD1 3.64Å; F229-L253 HydrophobicContact CE1-CG 4.21Å; F229-L253 HydrophobicContact CE2-CB 4.4Å; F229-L253 HydrophobicContact CG-CB 4.49Å; F229-L253 HydrophobicContact CZ-CB 3.8Å; F229-L253 HydrophobicContact CZ-CD1 3.72Å; F229-L253 HydrophobicContact CZ-CG 4.33Å; F229-W254 HydrophobicContact CB-CB 4.22Å; F229-W254 VanDerWaalsContact O-CD1 3.26Å; F229-F257 AromaticContact CD2-CD2 3.55Å; F229-F257 HydrophobicContact CD2-CD2 3.55Å; F229-F257 HydrophobicContact CD2-CE2 4.02Å; F229-F257 AromaticContact CE2-CD2 3.66Å; F229-F257 HydrophobicContact CE2-CD2 3.66Å; F229-F257 AromaticContact CE2-CE2 3.6Å; F229-F257 HydrophobicContact CE2-CE2 3.6Å; F229-F257 HydrophobicContact CG-CD2 4.4Å; F229-F257 HydrophobicContact CZ-CE2 4.31Å |
| 230 | P | 93.6 | Very high | 95 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | trans | -72.7 | 143 | 176.3 | 31.8 | -33.6 | 0 | 0 | 0 | 110.2 | S228 T232 Y233 | S228-P230 VanDerWaalsContact C-CD 3.46Å; P230-T232 PolarHBondContact O-N 3.19Å; P230-Y233 WeakPolarHBondContact O-CB 3.45Å; P230-Y233 PolarHBondContact O-N 2.88Å | ||
| 231 | D | 91.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -63.9 | -28.7 | 176.1 | 54.4 | -65.8 | 0 | 0 | 0 | 112.4 | Y233 L234 W254 M258 L417 | D231-Y233 PolarHBondContact O-N 3.08Å; D231-L234 WeakPolarHBondContact O-CB 3.33Å; D231-L234 PolarHBondContact O-N 3.16Å; D231-W254 HydrophobicContact CB-CZ2 4.27Å; D231-M258 HydrophobicContact CB-CE 4.26Å; D231-L417 HydrophobicContact CB-CD2 4.41Å |
| 232 | T | 93.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 56% | 0.564 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -61.7 | -30.8 | 175.3 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | P230 L234 L235 | P230-T232 PolarHBondContact O-N 3.19Å; T232-L234 VanDerWaalsContact C-N 3.29Å; T232-L234 PolarHBondContact O-N 3.45Å; T232-L235 PolarHBondContact O-N 3.23Å; T232-L235 VanDerWaalsContact O-N 3.13Å |
| 233 | Y | 97.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -63.1 | -35.3 | 177.8 | -179.7 | -111.1 | 0 | 0 | 0 | 112.2 | P230 D231 L235 T236 E238 Y239 Y246 F250 | P230-Y233 WeakPolarHBondContact O-CB 3.45Å; P230-Y233 PolarHBondContact O-N 2.88Å; D231-Y233 PolarHBondContact O-N 3.08Å; Y233-L235 PolarHBondContact O-N 2.88Å; Y233-T236 HydrophobicContact CD2-CG2 4.48Å; Y233-T236 WeakPolarHBondContact O-CB 3.36Å; Y233-T236 PolarHBondContact O-N 2.88Å; Y233-T236 PolarHBondContact O-OG1 2.84Å; Y233-E238 HydrophobicContact CE2-CB 4.21Å; Y233-E238 HydrophobicContact CE2-CG 4.1Å; Y233-Y239 AromaticContact CD1-CD2 3.88Å; Y233-Y239 HydrophobicContact CD1-CD2 3.88Å; Y233-Y239 HydrophobicContact CD1-CG 4.33Å; Y233-Y239 AromaticContact CE1-CD2 3.62Å; Y233-Y239 HydrophobicContact CE1-CD2 3.62Å; Y233-Y239 HydrophobicContact CE1-CG 4.19Å; Y233-Y239 WeakPolarHBondContact O-CB 3.38Å; Y233-Y246 HydrophobicContact CE1-CE1 4.13Å; Y233-F250 HydrophobicContact CD1-CD1 4.33Å; Y233-F250 AromaticContact CD1-CD2 3.96Å; Y233-F250 HydrophobicContact CD1-CD2 3.96Å; Y233-F250 AromaticContact CD1-CE1 3.83Å; Y233-F250 HydrophobicContact CD1-CE1 3.83Å; Y233-F250 AromaticContact CD1-CE2 3.38Å; Y233-F250 HydrophobicContact CD1-CE2 3.38Å; Y233-F250 HydrophobicContact CD1-CG 4.41Å; Y233-F250 AromaticContact CD1-CZ 3.33Å; Y233-F250 HydrophobicContact CD1-CZ 3.33Å; Y233-F250 AromaticContact CE1-CD2 3.88Å; Y233-F250 HydrophobicContact CE1-CD2 3.88Å; Y233-F250 AromaticContact CE1-CE2 3.69Å; Y233-F250 HydrophobicContact CE1-CE2 3.69Å; Y233-F250 HydrophobicContact CE1-CG 4.43Å; Y233-F250 HydrophobicContact CE1-CZ 4.11Å; Y233-F250 HydrophobicContact CG-CE2 4.39Å; Y233-F250 HydrophobicContact CG-CZ 4.14Å |
| 234 | L | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -57.3 | -24 | 177 | -64.8 | 169.5 | 0 | 0 | 0 | 112.8 | D231 T232 Y239 F250 I251 W254 V426 | D231-L234 WeakPolarHBondContact O-CB 3.33Å; D231-L234 PolarHBondContact O-N 3.16Å; T232-L234 VanDerWaalsContact C-N 3.29Å; T232-L234 PolarHBondContact O-N 3.45Å; L234-Y239 HydrophobicContact CD2-CD2 4.45Å; L234-Y239 HydrophobicContact CD2-CE1 4.25Å; L234-Y239 HydrophobicContact CD2-CE2 3.86Å; L234-Y239 VanDerWaalsContact O-CD1 3.3Å; L234-Y239 WeakPolarHBondContact O-CD1 3.37Å; L234-F250 HydrophobicContact CD2-CD1 3.52Å; L234-F250 HydrophobicContact CD2-CE1 3.62Å; L234-F250 HydrophobicContact CG-CD1 4.38Å; L234-F250 HydrophobicContact CG-CE1 3.97Å; L234-I251 HydrophobicContact CD2-CG1 4.14Å; L234-W254 HydrophobicContact CD1-CD2 3.89Å; L234-W254 HydrophobicContact CD1-CE3 4.27Å; L234-W254 HydrophobicContact CD1-CG 4.29Å; L234-W254 HydrophobicContact CD1-CH2 4.49Å; L234-W254 HydrophobicContact CD1-CZ2 4.1Å; L234-V426 HydrophobicContact CB-CG1 4.48Å; L234-V426 HydrophobicContact CB-CG2 3.88Å; L234-V426 HydrophobicContact CD2-CG1 4.33Å |
| 235 | L | 97 | Very high | 96 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -94.3 | -4.4 | -177.3 | -58.5 | 178.4 | 0 | 0 | 0 | 113.3 | T232 Y233 L417 K422 K425 V426 | T232-L235 PolarHBondContact O-N 3.23Å; T232-L235 VanDerWaalsContact O-N 3.13Å; Y233-L235 PolarHBondContact O-N 2.88Å; L235-L417 HydrophobicContact CD1-CD2 4.39Å; L235-L417 HydrophobicContact CD2-CD1 4.06Å; L235-K422 HydrophobicContact CD1-CB 4.49Å; L235-K422 HydrophobicContact CD1-CD 4.25Å; L235-K422 HydrophobicContact CD1-CG 4.24Å; L235-K422 HydrophobicContact CD2-CB 3.98Å; L235-K422 HydrophobicContact CD2-CG 4.45Å; L235-K422 WeakPolarHBondContact CD2-O 3.5Å; L235-K425 WeakPolarHBondContact O-CE 3.35Å; L235-K425 PolarHBondContact O-NZ 3.02Å; L235-V426 HydrophobicContact CD2-CG2 3.99Å |
| 236 | T | 97.9 | Very high | 96.1 | Very high | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -83.6 | 153.1 | -176.6 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | Y233 E238 Y239 E240 | Y233-T236 HydrophobicContact CD2-CG2 4.48Å; Y233-T236 WeakPolarHBondContact O-CB 3.36Å; Y233-T236 PolarHBondContact O-N 2.88Å; Y233-T236 PolarHBondContact O-OG1 2.84Å; T236-E238 PolarHBondContact O-N 3.45Å; T236-Y239 PolarHBondContact O-N 3.21Å; T236-Y239 WeakPolarHBondContact OG1-CB 3.28Å; T236-Y239 PolarHBondContact OG1-N 3.03Å; T236-Y239 VanDerWaalsContact OG1-N 3.11Å; T236-E240 PolarHBondContact O-N 2.97Å |
| 237 | D | 97.4 | Very high | 96.5 | Very high | 115 Ų | 115 | 66.7 Ų | 66.7 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.3 | -24.3 | 173.1 | -56.6 | -18 | 0 | 0 | 0 | 111.2 | E240 A241 K425 | D237-E240 PolarHBondContact O-N 3.13Å; D237-A241 WeakPolarHBondContact O-CB 3.4Å; D237-A241 PolarHBondContact O-N 3.29Å; D237-K425 IonicContact OD1-NZ 2.6Å; D237-K425 PolarHBondContact OD1-NZ 3.35Å |
| 238 | E | 97.6 | Very high | 96.8 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 58% | 0.575 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.7 | -48.9 | 172.2 | -172.4 | -171.6 | 157.8 | 0 | 0 | 111.2 | Y233 T236 E240 A241 Q242 | Y233-E238 HydrophobicContact CE2-CB 4.21Å; Y233-E238 HydrophobicContact CE2-CG 4.1Å; T236-E238 PolarHBondContact O-N 3.45Å; E238-E240 VanDerWaalsContact C-N 3.3Å; E238-E240 PolarHBondContact O-N 2.89Å; E238-A241 PolarHBondContact O-N 2.74Å; E238-Q242 WeakPolarHBondContact O-CG 3.19Å; E238-Q242 PolarHBondContact O-N 3.46Å |
| 239 | Y | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 174 | 170.5 | -99.7 | 0 | 0 | 0 | 111.5 | Y233 L234 T236 A241 Q242 R247 F250 I251 V426 S429 | Y233-Y239 AromaticContact CD1-CD2 3.88Å; Y233-Y239 HydrophobicContact CD1-CD2 3.88Å; Y233-Y239 HydrophobicContact CD1-CG 4.33Å; Y233-Y239 AromaticContact CE1-CD2 3.62Å; Y233-Y239 HydrophobicContact CE1-CD2 3.62Å; Y233-Y239 HydrophobicContact CE1-CG 4.19Å; Y233-Y239 WeakPolarHBondContact O-CB 3.38Å; L234-Y239 HydrophobicContact CD2-CD2 4.45Å; L234-Y239 HydrophobicContact CD2-CE1 4.25Å; L234-Y239 HydrophobicContact CD2-CE2 3.86Å; L234-Y239 VanDerWaalsContact O-CD1 3.3Å; L234-Y239 WeakPolarHBondContact O-CD1 3.37Å; T236-Y239 PolarHBondContact O-N 3.21Å; T236-Y239 WeakPolarHBondContact OG1-CB 3.28Å; T236-Y239 PolarHBondContact OG1-N 3.03Å; T236-Y239 VanDerWaalsContact OG1-N 3.11Å; Y239-A241 VanDerWaalsContact C-N 3.31Å; Y239-A241 PolarHBondContact O-N 3.45Å; Y239-Q242 WeakPolarHBondContact O-CB 3.46Å; Y239-Q242 PolarHBondContact O-N 3.28Å; Y239-R247 HydrophobicContact CD2-CG 4.24Å; Y239-R247 HydrophobicContact CE1-CB 4.4Å; Y239-R247 HydrophobicContact CE1-CG 4.15Å; Y239-R247 HydrophobicContact CE2-CB 3.9Å; Y239-R247 HydrophobicContact CE2-CG 3.81Å; Y239-R247 VanDerWaalsContact O-CD 3.28Å; Y239-R247 WeakPolarHBondContact O-CD 3.26Å; Y239-R247 WeakPolarHBondContact O-CG 3.35Å; Y239-R247 WeakPolarHBondContact OH-CB 3.37Å; Y239-R247 PolarHBondContact OH-O 2.94Å; Y239-F250 HydrophobicContact CD2-CD1 4.35Å; Y239-F250 HydrophobicContact CD2-CG 4.43Å; Y239-F250 HydrophobicContact CE2-CB 4.03Å; Y239-F250 AromaticContact CE2-CD1 3.93Å; Y239-F250 HydrophobicContact CE2-CD1 3.93Å; Y239-F250 HydrophobicContact CE2-CG 4.09Å; Y239-I251 WeakPolarHBondContact OH-CD1 3.41Å; Y239-V426 HydrophobicContact CE1-CG1 4.26Å; Y239-S429 WeakPolarHBondContact CE1-OG 3.43Å |
| 240 | E | 97.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 179.8 | -173.8 | 169.5 | -179.5 | 0 | 0 | 112.6 | T236 D237 E238 Q242 R247 K425 | T236-E240 PolarHBondContact O-N 2.97Å; D237-E240 PolarHBondContact O-N 3.13Å; E238-E240 VanDerWaalsContact C-N 3.3Å; E238-E240 PolarHBondContact O-N 2.89Å; E240-Q242 PolarHBondContact O-N 3.27Å; E240-R247 PolarHBondContact O-NH1 2.93Å; E240-K425 WeakPolarHBondContact OE2-CE 3.45Å |
| 241 | A | 97.9 | Very high | 97.3 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 72% | 0.719 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.5 | -15 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | D237 E238 Y239 | D237-A241 WeakPolarHBondContact O-CB 3.4Å; D237-A241 PolarHBondContact O-N 3.29Å; E238-A241 PolarHBondContact O-N 2.74Å; Y239-A241 VanDerWaalsContact C-N 3.31Å; Y239-A241 PolarHBondContact O-N 3.45Å |
| 242 | Q | 98.4 | Very high | 97.5 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 27% | 0.271 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -69.3 | 151.8 | 177.8 | -65.5 | -62.7 | -23.7 | 0 | 0 | 112.1 | E238 Y239 E240 Y246 R247 | E238-Q242 WeakPolarHBondContact O-CG 3.19Å; E238-Q242 PolarHBondContact O-N 3.46Å; Y239-Q242 WeakPolarHBondContact O-CB 3.46Å; Y239-Q242 PolarHBondContact O-N 3.28Å; E240-Q242 PolarHBondContact O-N 3.27Å; Q242-Y246 HydrophobicContact CB-CD1 3.45Å; Q242-Y246 VanDerWaalsContact CB-CD1 3.45Å; Q242-Y246 HydrophobicContact CB-CE1 4.12Å; Q242-Y246 HydrophobicContact CB-CG 3.99Å; Q242-Y246 HydrophobicContact CG-CD1 3.55Å; Q242-Y246 HydrophobicContact CG-CE1 3.69Å; Q242-Y246 HydrophobicContact CG-CG 4.24Å; Q242-R247 HydrophobicContact CB-CG 4.09Å; Q242-R247 PolarHBondContact O-NE 3.06Å |
| 243 | P | 98.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | trans | -61.5 | 151.9 | 176.7 | 26.8 | -34.7 | 0 | 0 | 0 | 111.4 | W245 Y246 R247 | P243-W245 VanDerWaalsContact C-N 3.28Å; P243-W245 HydrophobicContact CG-CZ2 4.01Å; P243-W245 VanDerWaalsContact CG-NE1 3.34Å; P243-W245 PolarHBondContact O-N 2.67Å; P243-W245 VanDerWaalsContact O-N 3.14Å; P243-Y246 WeakPolarHBondContact O-CB 3.27Å; P243-Y246 PolarHBondContact O-N 2.99Å; P243-R247 PolarHBondContact O-N 3.17Å | ||
| 244 | F | 97.9 | Very high | 97.7 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 40% | 0.395 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -50.4 | -42.6 | -175.9 | 172.5 | -103.7 | 0 | 0 | 0 | 114.4 | Y246 R247 C248 V430 Y431 C433 | F244-Y246 VanDerWaalsContact C-N 3.3Å; F244-Y246 PolarHBondContact O-N 3.4Å; F244-R247 PolarHBondContact O-N 3.44Å; F244-C248 VanDerWaalsContact CE2-SG 3.6Å; F244-C248 WeakPolarHBondContact CZ-SG 3.36Å; F244-C248 PolarHBondContact O-N 2.92Å; F244-C248 VanDerWaalsContact O-N 3.13Å; F244-C248 PolarHBondContact O-SG 3.46Å; F244-C248 VanDerWaalsContact O-SG 3.38Å; F244-V430 HydrophobicContact CE2-CB 4.25Å; F244-Y431 AromaticContact CD2-CD2 3.67Å; F244-Y431 HydrophobicContact CD2-CD2 3.67Å; F244-Y431 AromaticContact CD2-CE2 3.9Å; F244-Y431 HydrophobicContact CD2-CE2 3.9Å; F244-Y431 AromaticContact CE2-CD2 3.97Å; F244-Y431 HydrophobicContact CE2-CD2 3.97Å; F244-C433 HydrophobicContact CE2-CB 4.14Å; F244-C433 HydrophobicContact CZ-CB 3.9Å |
| 245 | W | 97.3 | Very high | 97.6 | Very high | 166 Ų | 166 | 52.6 Ų | 52.6 | 63% | 0.629 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 179.6 | 68 | -98.6 | 0 | 0 | 0 | 111.9 | P243 C248 V249 | P243-W245 VanDerWaalsContact C-N 3.28Å; P243-W245 HydrophobicContact CG-CZ2 4.01Å; P243-W245 VanDerWaalsContact CG-NE1 3.34Å; P243-W245 PolarHBondContact O-N 2.67Å; P243-W245 VanDerWaalsContact O-N 3.14Å; W245-C248 PolarHBondContact O-N 3.46Å; W245-V249 HydrophobicContact CE3-CG2 4.48Å; W245-V249 WeakPolarHBondContact O-CG2 3.23Å; W245-V249 PolarHBondContact O-N 3.29Å |
| 246 | Y | 98.1 | Very high | 97.4 | Very high | 73 Ų | 73 | 52 Ų | 52 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 179.9 | 176.6 | -81 | 0 | 0 | 0 | 109.8 | Y233 Q242 P243 F244 C248 V249 F250 | Y233-Y246 HydrophobicContact CE1-CE1 4.13Å; Q242-Y246 HydrophobicContact CB-CD1 3.45Å; Q242-Y246 VanDerWaalsContact CB-CD1 3.45Å; Q242-Y246 HydrophobicContact CB-CE1 4.12Å; Q242-Y246 HydrophobicContact CB-CG 3.99Å; Q242-Y246 HydrophobicContact CG-CD1 3.55Å; Q242-Y246 HydrophobicContact CG-CE1 3.69Å; Q242-Y246 HydrophobicContact CG-CG 4.24Å; P243-Y246 WeakPolarHBondContact O-CB 3.27Å; P243-Y246 PolarHBondContact O-N 2.99Å; F244-Y246 VanDerWaalsContact C-N 3.3Å; F244-Y246 PolarHBondContact O-N 3.4Å; Y246-C248 VanDerWaalsContact C-N 3.28Å; Y246-C248 PolarHBondContact O-N 3.44Å; Y246-V249 PolarHBondContact O-N 2.87Å; Y246-F250 HydrophobicContact CE1-CB 4.27Å; Y246-F250 HydrophobicContact CE1-CD2 4.25Å; Y246-F250 WeakPolarHBondContact O-CB 3.36Å; Y246-F250 PolarHBondContact O-N 2.86Å |
| 247 | R | 98.2 | Very high | 97.3 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 177.9 | -67.6 | -176.2 | -67.3 | -175.9 | 7.9 | 111.9 | Y239 E240 Q242 P243 F244 F250 I251 S429 V430 Y431 | Y239-R247 HydrophobicContact CD2-CG 4.24Å; Y239-R247 HydrophobicContact CE1-CB 4.4Å; Y239-R247 HydrophobicContact CE1-CG 4.15Å; Y239-R247 HydrophobicContact CE2-CB 3.9Å; Y239-R247 HydrophobicContact CE2-CG 3.81Å; Y239-R247 VanDerWaalsContact O-CD 3.28Å; Y239-R247 WeakPolarHBondContact O-CD 3.26Å; Y239-R247 WeakPolarHBondContact O-CG 3.35Å; Y239-R247 WeakPolarHBondContact OH-CB 3.37Å; Y239-R247 PolarHBondContact OH-O 2.94Å; E240-R247 PolarHBondContact O-NH1 2.93Å; Q242-R247 HydrophobicContact CB-CG 4.09Å; Q242-R247 PolarHBondContact O-NE 3.06Å; P243-R247 PolarHBondContact O-N 3.17Å; F244-R247 PolarHBondContact O-N 3.44Å; R247-F250 PolarHBondContact O-N 3.28Å; R247-I251 WeakPolarHBondContact O-CG1 3.38Å; R247-I251 PolarHBondContact O-N 3.46Å; R247-I251 VanDerWaalsContact O-N 3.09Å; R247-S429 PolarHBondContact NH1-O 3.5Å; R247-S429 PolarHBondContact NH2-O 3.14Å; R247-V430 HydrophobicContact CB-CG1 3.82Å; R247-Y431 PolarHBondContact NH2-OH 2.64Å |
| 248 | C | 98.1 | Very high | 97 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -47.4 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | F244 W245 Y246 F250 I251 L252 L406 | F244-C248 VanDerWaalsContact CE2-SG 3.6Å; F244-C248 WeakPolarHBondContact CZ-SG 3.36Å; F244-C248 PolarHBondContact O-N 2.92Å; F244-C248 VanDerWaalsContact O-N 3.13Å; F244-C248 PolarHBondContact O-SG 3.46Å; F244-C248 VanDerWaalsContact O-SG 3.38Å; W245-C248 PolarHBondContact O-N 3.46Å; Y246-C248 VanDerWaalsContact C-N 3.28Å; Y246-C248 PolarHBondContact O-N 3.44Å; C248-F250 VanDerWaalsContact C-N 3.27Å; C248-F250 PolarHBondContact O-N 3.42Å; C248-I251 PolarHBondContact O-N 3.26Å; C248-L252 PolarHBondContact O-N 3.01Å; C248-L252 VanDerWaalsContact O-N 3.07Å; C248-L406 HydrophobicContact CB-CD1 3.89Å; C248-L406 HydrophobicContact CB-CD2 4.43Å; C248-L406 WeakPolarHBondContact O-CD1 3.29Å |
| 249 | V | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | W245 Y246 L252 L253 F402 | W245-V249 HydrophobicContact CE3-CG2 4.48Å; W245-V249 WeakPolarHBondContact O-CG2 3.23Å; W245-V249 PolarHBondContact O-N 3.29Å; Y246-V249 PolarHBondContact O-N 2.87Å; V249-L252 WeakPolarHBondContact O-CB 3.35Å; V249-L252 PolarHBondContact O-N 2.91Å; V249-L253 HydrophobicContact CG1-CD1 3.92Å; V249-L253 HydrophobicContact CG1-CG 4.35Å; V249-L253 WeakPolarHBondContact O-CG 3.49Å; V249-L253 PolarHBondContact O-N 2.83Å; V249-F402 HydrophobicContact CG2-CE2 4.09Å; V249-F402 HydrophobicContact CG2-CZ 4.05Å |
| 250 | F | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -48.2 | 175 | -172 | -80.9 | 0 | 0 | 0 | 111 | F229 Y233 L234 Y239 Y246 R247 C248 L252 L253 W254 | F229-F250 HydrophobicContact CB-CZ 4.19Å; F229-F250 AromaticContact CD1-CD2 3.97Å; F229-F250 HydrophobicContact CD1-CD2 3.97Å; F229-F250 AromaticContact CD1-CE2 3.67Å; F229-F250 HydrophobicContact CD1-CE2 3.67Å; F229-F250 HydrophobicContact CD1-CZ 4.08Å; F229-F250 HydrophobicContact CE1-CD2 4.39Å; F229-F250 HydrophobicContact CE1-CE2 4.4Å; Y233-F250 HydrophobicContact CD1-CD1 4.33Å; Y233-F250 AromaticContact CD1-CD2 3.96Å; Y233-F250 HydrophobicContact CD1-CD2 3.96Å; Y233-F250 AromaticContact CD1-CE1 3.83Å; Y233-F250 HydrophobicContact CD1-CE1 3.83Å; Y233-F250 AromaticContact CD1-CE2 3.38Å; Y233-F250 HydrophobicContact CD1-CE2 3.38Å; Y233-F250 HydrophobicContact CD1-CG 4.41Å; Y233-F250 AromaticContact CD1-CZ 3.33Å; Y233-F250 HydrophobicContact CD1-CZ 3.33Å; Y233-F250 AromaticContact CE1-CD2 3.88Å; Y233-F250 HydrophobicContact CE1-CD2 3.88Å; Y233-F250 AromaticContact CE1-CE2 3.69Å; Y233-F250 HydrophobicContact CE1-CE2 3.69Å; Y233-F250 HydrophobicContact CE1-CG 4.43Å; Y233-F250 HydrophobicContact CE1-CZ 4.11Å; Y233-F250 HydrophobicContact CG-CE2 4.39Å; Y233-F250 HydrophobicContact CG-CZ 4.14Å; L234-F250 HydrophobicContact CD2-CD1 3.52Å; L234-F250 HydrophobicContact CD2-CE1 3.62Å; L234-F250 HydrophobicContact CG-CD1 4.38Å; L234-F250 HydrophobicContact CG-CE1 3.97Å; Y239-F250 HydrophobicContact CD2-CD1 4.35Å; Y239-F250 HydrophobicContact CD2-CG 4.43Å; Y239-F250 HydrophobicContact CE2-CB 4.03Å; Y239-F250 AromaticContact CE2-CD1 3.93Å; Y239-F250 HydrophobicContact CE2-CD1 3.93Å; Y239-F250 HydrophobicContact CE2-CG 4.09Å; Y246-F250 HydrophobicContact CE1-CB 4.27Å; Y246-F250 HydrophobicContact CE1-CD2 4.25Å; Y246-F250 WeakPolarHBondContact O-CB 3.36Å; Y246-F250 PolarHBondContact O-N 2.86Å; R247-F250 PolarHBondContact O-N 3.28Å; C248-F250 VanDerWaalsContact C-N 3.27Å; C248-F250 PolarHBondContact O-N 3.42Å; F250-L252 VanDerWaalsContact C-N 3.26Å; F250-L252 PolarHBondContact O-N 2.73Å; F250-L253 PolarHBondContact O-N 3.44Å; F250-W254 HydrophobicContact CD1-CB 4.19Å; F250-W254 HydrophobicContact CE1-CB 3.97Å; F250-W254 HydrophobicContact CE1-CG 4.39Å; F250-W254 WeakPolarHBondContact O-CB 3.3Å; F250-W254 PolarHBondContact O-N 3Å |
| 251 | I | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.1 | -41.6 | 175.4 | -71.9 | 171.1 | 0 | 0 | 0 | 111.6 | L234 Y239 R247 C248 G255 V413 V426 V430 | L234-I251 HydrophobicContact CD2-CG1 4.14Å; Y239-I251 WeakPolarHBondContact OH-CD1 3.41Å; R247-I251 WeakPolarHBondContact O-CG1 3.38Å; R247-I251 PolarHBondContact O-N 3.46Å; R247-I251 VanDerWaalsContact O-N 3.09Å; C248-I251 PolarHBondContact O-N 3.26Å; I251-G255 PolarHBondContact O-N 3.5Å; I251-V413 HydrophobicContact CD1-CG2 4.34Å; I251-V413 HydrophobicContact CG1-CG2 4.23Å; I251-V413 HydrophobicContact CG2-CG2 4.02Å; I251-V426 HydrophobicContact CD1-CG1 4.22Å; I251-V430 HydrophobicContact CD1-CG1 3.85Å; I251-V430 HydrophobicContact CD1-CG2 4.27Å |
| 252 | L | 97 | Very high | 96.1 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59 | -55.7 | 176.8 | -176.8 | 164.6 | 0 | 0 | 0 | 111.1 | C248 V249 F250 G255 K256 F402 W405 L406 | C248-L252 PolarHBondContact O-N 3.01Å; C248-L252 VanDerWaalsContact O-N 3.07Å; V249-L252 WeakPolarHBondContact O-CB 3.35Å; V249-L252 PolarHBondContact O-N 2.91Å; F250-L252 VanDerWaalsContact C-N 3.26Å; F250-L252 PolarHBondContact O-N 2.73Å; L252-G255 PolarHBondContact O-N 3.29Å; L252-K256 PolarHBondContact O-N 3.32Å; L252-K256 VanDerWaalsContact O-N 3.1Å; L252-F402 HydrophobicContact CD1-CD2 3.76Å; L252-F402 HydrophobicContact CD1-CE2 3.8Å; L252-F402 HydrophobicContact CD1-CG 4.31Å; L252-F402 HydrophobicContact CD1-CZ 4.36Å; L252-W405 HydrophobicContact CD1-CB 3.91Å; L252-W405 HydrophobicContact CD2-CB 3.8Å; L252-W405 HydrophobicContact CG-CB 3.56Å; L252-L406 HydrophobicContact CB-CD1 4.48Å; L252-L406 HydrophobicContact CD1-CB 4.2Å |
| 253 | L | 97.2 | Very high | 96 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 29% | 0.288 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.7 | -43.8 | -176.8 | -67 | 173.9 | 0 | 0 | 0 | 111.4 | F229 V249 F250 K256 F257 | F229-L253 HydrophobicContact CD1-CB 3.88Å; F229-L253 HydrophobicContact CE1-CB 3.5Å; F229-L253 VanDerWaalsContact CE1-CB 3.5Å; F229-L253 HydrophobicContact CE1-CD1 3.64Å; F229-L253 HydrophobicContact CE1-CG 4.21Å; F229-L253 HydrophobicContact CE2-CB 4.4Å; F229-L253 HydrophobicContact CG-CB 4.49Å; F229-L253 HydrophobicContact CZ-CB 3.8Å; F229-L253 HydrophobicContact CZ-CD1 3.72Å; F229-L253 HydrophobicContact CZ-CG 4.33Å; V249-L253 HydrophobicContact CG1-CD1 3.92Å; V249-L253 HydrophobicContact CG1-CG 4.35Å; V249-L253 WeakPolarHBondContact O-CG 3.49Å; V249-L253 PolarHBondContact O-N 2.83Å; F250-L253 PolarHBondContact O-N 3.44Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 3.32Å; L253-F257 HydrophobicContact CB-CE2 4.41Å; L253-F257 HydrophobicContact CD2-CE2 4.34Å; L253-F257 WeakPolarHBondContact O-CD2 3.5Å; L253-F257 PolarHBondContact O-N 3.35Å |
| 254 | W | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.5 | -56 | 173.2 | 169.1 | 82.6 | 0 | 0 | 0 | 111 | F229 D231 L234 F250 K256 F257 M258 L412 V413 C416 | F229-W254 HydrophobicContact CB-CB 4.22Å; F229-W254 VanDerWaalsContact O-CD1 3.26Å; D231-W254 HydrophobicContact CB-CZ2 4.27Å; L234-W254 HydrophobicContact CD1-CD2 3.89Å; L234-W254 HydrophobicContact CD1-CE3 4.27Å; L234-W254 HydrophobicContact CD1-CG 4.29Å; L234-W254 HydrophobicContact CD1-CH2 4.49Å; L234-W254 HydrophobicContact CD1-CZ2 4.1Å; F250-W254 HydrophobicContact CD1-CB 4.19Å; F250-W254 HydrophobicContact CE1-CB 3.97Å; F250-W254 HydrophobicContact CE1-CG 4.39Å; F250-W254 WeakPolarHBondContact O-CB 3.3Å; F250-W254 PolarHBondContact O-N 3Å; W254-K256 VanDerWaalsContact C-N 3.27Å; W254-K256 PolarHBondContact O-N 3.42Å; W254-F257 PolarHBondContact O-N 2.84Å; W254-M258 HydrophobicContact CZ2-CG 4.29Å; W254-M258 WeakPolarHBondContact O-CB 3.13Å; W254-M258 PolarHBondContact O-N 3.31Å; W254-L412 HydrophobicContact CH2-CB 4.25Å; W254-L412 HydrophobicContact CZ3-CB 4Å; W254-V413 HydrophobicContact CE3-CG2 4.23Å; W254-V413 HydrophobicContact CH2-CG2 4.28Å; W254-V413 HydrophobicContact CZ3-CB 4.35Å; W254-V413 HydrophobicContact CZ3-CG2 3.65Å; W254-C416 HydrophobicContact CH2-CB 3.8Å; W254-C416 HydrophobicContact CZ2-CB 3.79Å |
| 255 | G | 95 | Very high | 95.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.4 | -38.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I251 L252 L259 | I251-G255 PolarHBondContact O-N 3.5Å; L252-G255 PolarHBondContact O-N 3.29Å; G255-L259 WeakPolarHBondContact O-CG 3.34Å; G255-L259 PolarHBondContact O-N 2.93Å |
| 256 | K | 93.5 | Very high | 95.8 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 15% | 0.152 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -55.9 | 175.3 | -177.9 | 179.5 | -175.4 | 65.4 | 0 | 111.9 | L252 L253 W254 E302 W405 | L252-K256 PolarHBondContact O-N 3.32Å; L252-K256 VanDerWaalsContact O-N 3.1Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 3.32Å; W254-K256 VanDerWaalsContact C-N 3.27Å; W254-K256 PolarHBondContact O-N 3.42Å; K256-E302 IonicContact NZ-OE1 2.86Å; K256-E302 IonicContact NZ-OE2 3.87Å; K256-E302 PolarHBondContact NZ-OE2 3.33Å; K256-W405 HydrophobicContact CB-CE3 4.05Å; K256-W405 HydrophobicContact CB-CZ3 4.07Å; K256-W405 HydrophobicContact CG-CE3 4.26Å; K256-W405 HydrophobicContact CG-CH2 4.24Å; K256-W405 HydrophobicContact CG-CZ3 4Å |
| 257 | F | 93.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 18.3 Ų | 18.3 | 10% | 0.101 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.2 | -36 | -174 | -65.6 | -60.3 | 0 | 0 | 0 | 112.3 | Y222 F225 F229 L253 W254 L259 Y260 | Y222-F257 WeakPolarHBondContact CD2-O 3.44Å; F225-F257 HydrophobicContact CB-CB 4.38Å; F225-F257 HydrophobicContact CB-CD1 3.52Å; F225-F257 HydrophobicContact CB-CD2 3.9Å; F225-F257 HydrophobicContact CB-CE1 3.62Å; F225-F257 HydrophobicContact CB-CE2 4Å; F225-F257 HydrophobicContact CB-CG 3.67Å; F225-F257 HydrophobicContact CB-CZ 3.86Å; F225-F257 HydrophobicContact CD1-CE1 4.31Å; F225-F257 HydrophobicContact CD1-CE2 4.48Å; F225-F257 HydrophobicContact CD1-CZ 4.03Å; F225-F257 AromaticContact CD2-CD1 3.94Å; F225-F257 HydrophobicContact CD2-CD1 3.94Å; F225-F257 AromaticContact CD2-CE1 3.39Å; F225-F257 HydrophobicContact CD2-CE1 3.39Å; F225-F257 AromaticContact CD2-CZ 3.93Å; F225-F257 HydrophobicContact CD2-CZ 3.93Å; F225-F257 HydrophobicContact CE2-CE1 4.13Å; F225-F257 AromaticContact CG-CD1 3.95Å; F225-F257 HydrophobicContact CG-CD1 3.95Å; F225-F257 AromaticContact CG-CE1 3.52Å; F225-F257 HydrophobicContact CG-CE1 3.52Å; F225-F257 HydrophobicContact CG-CE2 4.23Å; F225-F257 HydrophobicContact CG-CG 4.47Å; F225-F257 AromaticContact CG-CZ 3.67Å; F225-F257 HydrophobicContact CG-CZ 3.67Å; F229-F257 AromaticContact CD2-CD2 3.55Å; F229-F257 HydrophobicContact CD2-CD2 3.55Å; F229-F257 HydrophobicContact CD2-CE2 4.02Å; F229-F257 AromaticContact CE2-CD2 3.66Å; F229-F257 HydrophobicContact CE2-CD2 3.66Å; F229-F257 AromaticContact CE2-CE2 3.6Å; F229-F257 HydrophobicContact CE2-CE2 3.6Å; F229-F257 HydrophobicContact CG-CD2 4.4Å; F229-F257 HydrophobicContact CZ-CE2 4.31Å; L253-F257 HydrophobicContact CB-CE2 4.41Å; L253-F257 HydrophobicContact CD2-CE2 4.34Å; L253-F257 WeakPolarHBondContact O-CD2 3.5Å; L253-F257 PolarHBondContact O-N 3.35Å; W254-F257 PolarHBondContact O-N 2.84Å; F257-L259 PolarHBondContact O-N 2.88Å; F257-Y260 HydrophobicContact CD1-CD2 4.32Å; F257-Y260 HydrophobicContact CD1-CE2 4.27Å; F257-Y260 WeakPolarHBondContact O-CB 3.3Å; F257-Y260 PolarHBondContact O-N 2.95Å; F257-Y260 VanDerWaalsContact O-N 3.08Å |
| 258 | M | 91.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 11% | 0.108 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -36.6 | 178.2 | -114 | -62 | -153.7 | 0 | 0 | 112.5 | D231 W254 Y260 K261 | D231-M258 HydrophobicContact CB-CE 4.26Å; W254-M258 HydrophobicContact CZ2-CG 4.29Å; W254-M258 WeakPolarHBondContact O-CB 3.13Å; W254-M258 PolarHBondContact O-N 3.31Å; M258-Y260 PolarHBondContact O-N 3.44Å; M258-K261 VanDerWaalsContact CE-NZ 3.32Å; M258-K261 WeakPolarHBondContact O-CG 3.39Å; M258-K261 HydrophobicContact SD-CD 3.86Å; M258-K261 VanDerWaalsContact SD-CE 3.52Å; M258-K261 PolarHBondContact SD-NZ 3.29Å |
| 259 | L | 93.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.6 | -22.2 | -179.7 | -76.9 | -178.7 | 0 | 0 | 0 | 113.6 | G255 F257 K261 Y262 V263 F301 F314 L412 | G255-L259 WeakPolarHBondContact O-CG 3.34Å; G255-L259 PolarHBondContact O-N 2.93Å; F257-L259 PolarHBondContact O-N 2.88Å; L259-K261 PolarHBondContact O-N 3.17Å; L259-Y262 HydrophobicContact CD2-CD2 4.15Å; L259-Y262 PolarHBondContact O-N 2.82Å; L259-V263 WeakPolarHBondContact O-CG2 3.17Å; L259-V263 PolarHBondContact O-N 3Å; L259-F301 HydrophobicContact CD1-CE2 4.45Å; L259-F301 HydrophobicContact CD1-CZ 3.76Å; L259-F314 HydrophobicContact CD1-CE2 4.3Å; L259-F314 HydrophobicContact CD2-CE2 4.1Å; L259-F314 HydrophobicContact CD2-CZ 4.13Å; L259-L412 HydrophobicContact CD1-CD1 3.64Å; L259-L412 HydrophobicContact CD2-CD1 4.17Å; L259-L412 HydrophobicContact CD2-CD2 4.29Å; L259-L412 HydrophobicContact CG-CD1 3.86Å |
| 260 | Y | 94.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 3% | 0.027 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.8 | -23 | -177 | -75.9 | -3.2 | 0 | 0 | 0 | 113.8 | M221 F257 M258 Y262 V263 S264 E302 | M221-Y260 HydrophobicContact CB-CD2 3.6Å; M221-Y260 HydrophobicContact CB-CE2 3.71Å; M221-Y260 HydrophobicContact CE-CD2 3.92Å; M221-Y260 HydrophobicContact CE-CE2 3.32Å; M221-Y260 HydrophobicContact CG-CE2 4.3Å; M221-Y260 HydrophobicContact SD-CD2 4.44Å; M221-Y260 HydrophobicContact SD-CE2 3.64Å; F257-Y260 HydrophobicContact CD1-CD2 4.32Å; F257-Y260 HydrophobicContact CD1-CE2 4.27Å; F257-Y260 WeakPolarHBondContact O-CB 3.3Å; F257-Y260 PolarHBondContact O-N 2.95Å; F257-Y260 VanDerWaalsContact O-N 3.08Å; M258-Y260 PolarHBondContact O-N 3.44Å; Y260-Y262 VanDerWaalsContact C-N 3.31Å; Y260-Y262 PolarHBondContact O-N 2.73Å; Y260-V263 HydrophobicContact CD1-CB 4.47Å; Y260-V263 HydrophobicContact CD1-CG2 4.33Å; Y260-S264 VanDerWaalsContact O-CB 3.22Å; Y260-S264 WeakPolarHBondContact O-CB 3.47Å; Y260-S264 PolarHBondContact O-N 2.69Å; Y260-S264 PolarHBondContact O-OG 3.44Å; Y260-E302 WeakPolarHBondContact CE1-OE1 3.44Å; Y260-E302 PolarHBondContact OH-OE1 3.46Å; Y260-E302 PolarHBondContact OH-OE2 2.92Å |
| 261 | K | 91 | Very high | 95.8 | Very high | 37 Ų | 37 | 15.3 Ų | 15.3 | 16% | 0.161 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64 | -35.2 | 170.9 | 77.6 | -166.3 | -179.7 | 178.1 | 0 | 112.7 | Y222 M258 L259 S264 C265 | Y222-K261 HydrophobicContact CD1-CB 4.22Å; Y222-K261 HydrophobicContact CD2-CB 3.91Å; Y222-K261 HydrophobicContact CE1-CB 4.07Å; Y222-K261 HydrophobicContact CE2-CB 3.73Å; Y222-K261 HydrophobicContact CE2-CD 3.95Å; Y222-K261 HydrophobicContact CE2-CG 4.3Å; Y222-K261 HydrophobicContact CG-CB 4.15Å; M258-K261 VanDerWaalsContact CE-NZ 3.32Å; M258-K261 WeakPolarHBondContact O-CG 3.39Å; M258-K261 HydrophobicContact SD-CD 3.86Å; M258-K261 VanDerWaalsContact SD-CE 3.52Å; M258-K261 PolarHBondContact SD-NZ 3.29Å; L259-K261 PolarHBondContact O-N 3.17Å; K261-S264 PolarHBondContact O-OG 3.41Å; K261-C265 PolarHBondContact O-SG 3.33Å |
| 262 | Y | 92.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 15.3 Ų | 15.3 | 18% | 0.184 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -80.2 | -45.7 | 175.7 | -56.8 | -74.8 | 0 | 0 | 0 | 111.3 | Y115 L259 Y260 S264 C265 W266 | Y115-Y262 HydrophobicContact CE2-CE1 4.28Å; Y115-Y262 WeakPolarHBondContact CE2-OH 3.3Å; L259-Y262 HydrophobicContact CD2-CD2 4.15Å; L259-Y262 PolarHBondContact O-N 2.82Å; Y260-Y262 VanDerWaalsContact C-N 3.31Å; Y260-Y262 PolarHBondContact O-N 2.73Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 2.9Å; Y262-C265 PolarHBondContact O-N 3.3Å; Y262-W266 PolarHBondContact O-N 3.13Å |
| 263 | V | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.6 | -48.3 | 178.5 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | C218 L259 Y260 W266 V267 M296 V298 | C218-V263 HydrophobicContact CB-CG1 4.19Å; L259-V263 WeakPolarHBondContact O-CG2 3.17Å; L259-V263 PolarHBondContact O-N 3Å; Y260-V263 HydrophobicContact CD1-CB 4.47Å; Y260-V263 HydrophobicContact CD1-CG2 4.33Å; V263-W266 PolarHBondContact O-N 3.23Å; V263-V267 HydrophobicContact CG1-CG2 4.04Å; V263-V267 WeakPolarHBondContact O-CB 3.26Å; V263-V267 WeakPolarHBondContact O-CG2 3.39Å; V263-V267 PolarHBondContact O-N 3.24Å; V263-M296 HydrophobicContact CB-CE 4.34Å; V263-M296 HydrophobicContact CG1-CE 4.48Å; V263-M296 HydrophobicContact CG1-CG 4.01Å; V263-M296 HydrophobicContact CG2-CE 3.56Å; V263-M296 HydrophobicContact CG2-SD 4.35Å; V263-V298 HydrophobicContact CG1-CG2 4.2Å |
| 264 | S | 96.4 | Very high | 96 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.007 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.9 | -52 | 178.2 | 53 | 0 | 0 | 0 | 0 | 111.8 | G215 Y260 K261 Y262 W266 V267 I268 | G215-S264 VanDerWaalsContact O-CB 3.32Å; G215-S264 WeakPolarHBondContact O-CB 3.24Å; Y260-S264 VanDerWaalsContact O-CB 3.22Å; Y260-S264 WeakPolarHBondContact O-CB 3.47Å; Y260-S264 PolarHBondContact O-N 2.69Å; Y260-S264 PolarHBondContact O-OG 3.44Å; K261-S264 PolarHBondContact O-OG 3.41Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 2.9Å; S264-W266 VanDerWaalsContact C-N 3.35Å; S264-W266 PolarHBondContact O-N 3.38Å; S264-V267 PolarHBondContact O-N 2.86Å; S264-I268 WeakPolarHBondContact O-CB 3.4Å; S264-I268 WeakPolarHBondContact O-CG1 3.33Å; S264-I268 PolarHBondContact O-N 3.5Å |
| 265 | C | 95.9 | Very high | 96 | Very high | 18 Ų | 18 | 12.4 Ų | 12.4 | 12% | 0.122 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 179.1 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | V177 K261 Y262 A269 | V177-C265 HydrophobicContact CG1-CB 4.38Å; V177-C265 HydrophobicContact CG2-CB 4.46Å; K261-C265 PolarHBondContact O-SG 3.33Å; Y262-C265 PolarHBondContact O-N 3.3Å; C265-A269 VanDerWaalsContact O-CB 3.28Å; C265-A269 WeakPolarHBondContact O-CB 3.27Å; C265-A269 PolarHBondContact O-N 3.21Å |
| 266 | W | 97.3 | Very high | 96.2 | Very high | 35 Ų | 35 | 12.4 Ų | 12.4 | 13% | 0.133 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.5 | -48.7 | 178.4 | -70.6 | -21.7 | 0 | 0 | 0 | 112.3 | V177 Y262 V263 S264 I268 A269 E270 N295 M296 F314 N315 | V177-W266 PolarHBondContact O-NE1 3.17Å; V177-W266 VanDerWaalsContact O-NE1 3.12Å; Y262-W266 PolarHBondContact O-N 3.13Å; V263-W266 PolarHBondContact O-N 3.23Å; S264-W266 VanDerWaalsContact C-N 3.35Å; S264-W266 PolarHBondContact O-N 3.38Å; W266-I268 VanDerWaalsContact C-N 3.31Å; W266-I268 PolarHBondContact O-N 2.91Å; W266-A269 PolarHBondContact O-N 3.09Å; W266-E270 VanDerWaalsContact O-CG 3.24Å; W266-E270 WeakPolarHBondContact O-CG 3.3Å; W266-E270 PolarHBondContact O-N 3.28Å; W266-N295 HydrophobicContact CB-CB 4.08Å; W266-N295 HydrophobicContact CD2-CB 4.34Å; W266-N295 HydrophobicContact CE3-CB 4.49Å; W266-N295 HydrophobicContact CG-CB 4.18Å; W266-M296 HydrophobicContact CE3-CE 3.76Å; W266-M296 HydrophobicContact CZ3-CE 3.89Å; W266-F314 HydrophobicContact CH2-CD1 4.35Å; W266-F314 AromaticContact CH2-CE1 3.59Å; W266-F314 HydrophobicContact CH2-CE1 3.59Å; W266-F314 HydrophobicContact CH2-CE2 4.18Å; W266-F314 AromaticContact CH2-CZ 3.48Å; W266-F314 HydrophobicContact CH2-CZ 3.48Å; W266-F314 VanDerWaalsContact CH2-CZ 3.48Å; W266-F314 HydrophobicContact CZ3-CD1 4.14Å; W266-F314 HydrophobicContact CZ3-CD2 4.08Å; W266-F314 AromaticContact CZ3-CE1 3.7Å; W266-F314 HydrophobicContact CZ3-CE1 3.7Å; W266-F314 AromaticContact CZ3-CE2 3.6Å; W266-F314 HydrophobicContact CZ3-CE2 3.6Å; W266-F314 HydrophobicContact CZ3-CG 4.31Å; W266-F314 AromaticContact CZ3-CZ 3.39Å; W266-F314 HydrophobicContact CZ3-CZ 3.39Å; W266-N315 HydrophobicContact CH2-CB 3.81Å; W266-N315 HydrophobicContact CZ3-CB 4.04Å |
| 267 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.4 | -38.7 | -178.1 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | R211 L214 V263 S264 E270 G271 M296 V298 | R211-V267 HydrophobicContact CB-CG1 4.37Å; R211-V267 WeakPolarHBondContact CB-O 3.29Å; R211-V267 VanDerWaalsContact O-CG1 3.23Å; R211-V267 WeakPolarHBondContact O-CG1 3.24Å; L214-V267 HydrophobicContact CB-CG1 4.12Å; L214-V267 HydrophobicContact CD2-CG1 4.27Å; L214-V267 HydrophobicContact CG-CG1 4.15Å; V263-V267 HydrophobicContact CG1-CG2 4.04Å; V263-V267 WeakPolarHBondContact O-CB 3.26Å; V263-V267 WeakPolarHBondContact O-CG2 3.39Å; V263-V267 PolarHBondContact O-N 3.24Å; S264-V267 PolarHBondContact O-N 2.86Å; V267-E270 WeakPolarHBondContact O-CB 3.35Å; V267-G271 PolarHBondContact O-N 3.45Å; V267-M296 HydrophobicContact CG2-CB 3.8Å; V267-M296 HydrophobicContact CG2-CG 4.14Å; V267-V298 HydrophobicContact CG2-CG2 3.86Å |
| 268 | I | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | 176.3 | -63.8 | 170 | 0 | 0 | 0 | 110.6 | I23 V26 L27 Y30 S264 W266 E270 G271 V272 | I23-I268 HydrophobicContact CD1-CD1 4.08Å; V26-I268 HydrophobicContact CG1-CB 3.96Å; V26-I268 HydrophobicContact CG1-CG2 3.61Å; L27-I268 HydrophobicContact CD2-CG2 4.14Å; Y30-I268 HydrophobicContact CE2-CG2 3.72Å; Y30-I268 PolarHBondContact OH-O 2.93Å; S264-I268 WeakPolarHBondContact O-CB 3.4Å; S264-I268 WeakPolarHBondContact O-CG1 3.33Å; S264-I268 PolarHBondContact O-N 3.5Å; W266-I268 VanDerWaalsContact C-N 3.31Å; W266-I268 PolarHBondContact O-N 2.91Å; I268-E270 VanDerWaalsContact C-N 3.3Å; I268-E270 PolarHBondContact O-N 2.71Å; I268-G271 PolarHBondContact O-N 2.87Å; I268-G271 VanDerWaalsContact O-N 3.08Å; I268-V272 PolarHBondContact O-N 2.64Å |
| 269 | A | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 3% | 0.033 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.8 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V26 V177 C265 W266 G271 V272 C273 | V26-A269 HydrophobicContact CG1-CB 4.16Å; V177-A269 HydrophobicContact CG2-CB 3.66Å; C265-A269 VanDerWaalsContact O-CB 3.28Å; C265-A269 WeakPolarHBondContact O-CB 3.27Å; C265-A269 PolarHBondContact O-N 3.21Å; W266-A269 PolarHBondContact O-N 3.09Å; A269-G271 VanDerWaalsContact C-N 3.32Å; A269-G271 PolarHBondContact O-N 3.01Å; A269-V272 WeakPolarHBondContact O-CB 3.48Å; A269-V272 PolarHBondContact O-N 3.35Å; A269-C273 PolarHBondContact O-N 3.1Å; A269-C273 PolarHBondContact O-SG 3.38Å |
| 270 | E | 98 | Very high | 97 | Very high | 4 Ų | 4 | 9.7 Ų | 9.7 | 2% | 0.019 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 171.3 | -74.3 | 175.3 | -146.7 | 0 | 0 | 112.2 | R211 W266 V267 I268 V272 C273 I274 C293 N295 M296 | R211-E270 IonicContact CZ-OE2 3.83Å; R211-E270 IonicContact NE-OE2 3.92Å; R211-E270 PolarHBondContact NE-OE2 2.86Å; R211-E270 IonicContact NH2-OE1 2.71Å; R211-E270 PolarHBondContact NH2-OE1 2.9Å; R211-E270 IonicContact NH2-OE2 2.97Å; R211-E270 PolarHBondContact NH2-OE2 3.37Å; W266-E270 VanDerWaalsContact O-CG 3.24Å; W266-E270 WeakPolarHBondContact O-CG 3.3Å; W266-E270 PolarHBondContact O-N 3.28Å; V267-E270 WeakPolarHBondContact O-CB 3.35Å; I268-E270 VanDerWaalsContact C-N 3.3Å; I268-E270 PolarHBondContact O-N 2.71Å; E270-V272 VanDerWaalsContact C-N 3.28Å; E270-V272 PolarHBondContact O-N 2.99Å; E270-C273 WeakPolarHBondContact O-CB 3.18Å; E270-C273 PolarHBondContact O-N 2.98Å; E270-C273 VanDerWaalsContact O-N 3.16Å; E270-I274 WeakPolarHBondContact O-CB 3.44Å; E270-I274 VanDerWaalsContact O-CG1 3.24Å; E270-I274 WeakPolarHBondContact O-CG1 3.32Å; E270-I274 PolarHBondContact O-N 3.06Å; E270-C293 WeakPolarHBondContact CG-O 3.42Å; E270-N295 WeakPolarHBondContact OE1-CA 3.21Å; E270-N295 PolarHBondContact OE1-N 3.16Å; E270-M296 PolarHBondContact OE1-N 3.39Å |
| 271 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.4 | -33.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y30 A208 V267 I268 A269 I274 L275 | Y30-G271 VanDerWaalsContact OH-CA 3.24Å; Y30-G271 WeakPolarHBondContact OH-CA 3.32Å; A208-G271 VanDerWaalsContact CB-O 3.26Å; A208-G271 WeakPolarHBondContact CB-O 3.3Å; V267-G271 PolarHBondContact O-N 3.45Å; I268-G271 PolarHBondContact O-N 2.87Å; I268-G271 VanDerWaalsContact O-N 3.08Å; A269-G271 VanDerWaalsContact C-N 3.32Å; A269-G271 PolarHBondContact O-N 3.01Å; G271-I274 PolarHBondContact O-N 3.01Å; G271-L275 WeakPolarHBondContact O-CB 3.48Å; G271-L275 PolarHBondContact O-N 3.39Å |
| 272 | V | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | G29 Y30 A33 Y172 I268 A269 E270 I274 L275 A276 | G29-V272 WeakPolarHBondContact O-CG1 3.25Å; Y30-V272 HydrophobicContact CD2-CG2 3.44Å; Y30-V272 VanDerWaalsContact CD2-CG2 3.44Å; Y30-V272 HydrophobicContact CE2-CG2 3.38Å; Y30-V272 HydrophobicContact CG-CG2 4.16Å; A33-V272 HydrophobicContact CB-CG1 4.49Å; Y172-V272 HydrophobicContact CD2-CG1 3.92Å; Y172-V272 HydrophobicContact CE2-CG1 3.68Å; I268-V272 PolarHBondContact O-N 2.64Å; A269-V272 WeakPolarHBondContact O-CB 3.48Å; A269-V272 PolarHBondContact O-N 3.35Å; E270-V272 VanDerWaalsContact C-N 3.28Å; E270-V272 PolarHBondContact O-N 2.99Å; V272-I274 VanDerWaalsContact C-N 3.32Å; V272-I274 PolarHBondContact O-N 3.1Å; V272-L275 PolarHBondContact O-N 2.88Å; V272-A276 PolarHBondContact O-N 3.21Å |
| 273 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 178.6 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | G173 A269 E270 A276 G277 L278 G279 C293 | G173-C273 VanDerWaalsContact C-SG 3.58Å; G173-C273 PolarHBondContact O-SG 3.4Å; A269-C273 PolarHBondContact O-N 3.1Å; A269-C273 PolarHBondContact O-SG 3.38Å; E270-C273 WeakPolarHBondContact O-CB 3.18Å; E270-C273 PolarHBondContact O-N 2.98Å; E270-C273 VanDerWaalsContact O-N 3.16Å; C273-A276 PolarHBondContact O-N 3.19Å; C273-G277 PolarHBondContact O-N 2.86Å; C273-G277 VanDerWaalsContact O-N 3.13Å; C273-L278 HydrophobicContact CB-CB 4.35Å; C273-L278 PolarHBondContact O-N 2.89Å; C273-G279 PolarHBondContact O-N 2.67Å; C273-C293 HydrophobicContact CB-CB 3.85Å |
| 274 | I | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 175 | -71.5 | 166.1 | 0 | 0 | 0 | 110.2 | S204 P207 A208 R211 E270 G271 V272 A276 G277 W290 | S204-I274 WeakPolarHBondContact CB-O 3.44Å; S204-I274 PolarHBondContact OG-O 3.37Å; P207-I274 HydrophobicContact CB-CG2 3.73Å; A208-I274 HydrophobicContact CB-CB 4.35Å; A208-I274 HydrophobicContact CB-CG2 4.01Å; R211-I274 HydrophobicContact CG-CD1 3.59Å; E270-I274 WeakPolarHBondContact O-CB 3.44Å; E270-I274 VanDerWaalsContact O-CG1 3.24Å; E270-I274 WeakPolarHBondContact O-CG1 3.32Å; E270-I274 PolarHBondContact O-N 3.06Å; G271-I274 PolarHBondContact O-N 3.01Å; V272-I274 VanDerWaalsContact C-N 3.32Å; V272-I274 PolarHBondContact O-N 3.1Å; I274-A276 VanDerWaalsContact C-N 3.26Å; I274-A276 PolarHBondContact O-N 3.37Å; I274-G277 WeakPolarHBondContact O-CA 3.48Å; I274-G277 PolarHBondContact O-N 3.14Å; I274-W290 HydrophobicContact CD1-CB 4.33Å; I274-W290 VanDerWaalsContact CD1-O 3.26Å; I274-W290 WeakPolarHBondContact CD1-O 3.37Å; I274-W290 HydrophobicContact CG1-CB 4.29Å; I274-W290 VanDerWaalsContact CG1-O 3.29Å; I274-W290 WeakPolarHBondContact CG1-O 3.44Å; I274-W290 HydrophobicContact CG2-CB 4.24Å; I274-W290 HydrophobicContact CG2-CD2 4.4Å; I274-W290 HydrophobicContact CG2-CE3 4.07Å; I274-W290 HydrophobicContact CG2-CG 4.5Å |
| 275 | L | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | -179.2 | -172.7 | 54.7 | 0 | 0 | 0 | 111.9 | Y30 A33 L34 S204 V205 A208 G271 V272 G277 | Y30-L275 HydrophobicContact CD1-CD2 3.8Å; A33-L275 HydrophobicContact CB-CB 3.9Å; A33-L275 HydrophobicContact CB-CD2 3.83Å; A33-L275 HydrophobicContact CB-CG 3.73Å; L34-L275 HydrophobicContact CD2-CD1 4.42Å; L34-L275 HydrophobicContact CD2-CD2 3.99Å; L34-L275 HydrophobicContact CG-CD2 4.09Å; S204-L275 PolarHBondContact OG-O 2.76Å; V205-L275 HydrophobicContact CG2-CD1 3.95Å; A208-L275 HydrophobicContact CB-CB 3.79Å; A208-L275 HydrophobicContact CB-CD1 4.39Å; G271-L275 WeakPolarHBondContact O-CB 3.48Å; G271-L275 PolarHBondContact O-N 3.39Å; V272-L275 PolarHBondContact O-N 2.88Å; L275-G277 VanDerWaalsContact C-N 3.28Å; L275-G277 PolarHBondContact O-N 3.08Å |
| 276 | A | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -22.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A33 Y36 F171 L189 V272 C273 I274 | A33-A276 HydrophobicContact CB-CB 4.4Å; Y36-A276 WeakPolarHBondContact CE1-O 3.27Å; F171-A276 HydrophobicContact CE2-CB 4.26Å; F171-A276 HydrophobicContact CZ-CB 3.82Å; L189-A276 VanDerWaalsContact CD1-O 3.23Å; L189-A276 WeakPolarHBondContact CD1-O 3.49Å; V272-A276 PolarHBondContact O-N 3.21Å; C273-A276 PolarHBondContact O-N 3.19Å; I274-A276 VanDerWaalsContact C-N 3.26Å; I274-A276 PolarHBondContact O-N 3.37Å |
| 277 | G | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.7 | -14.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L194 C273 I274 L275 G279 Y280 | L194-G277 WeakPolarHBondContact CB-O 3.4Å; C273-G277 PolarHBondContact O-N 2.86Å; C273-G277 VanDerWaalsContact O-N 3.13Å; I274-G277 WeakPolarHBondContact O-CA 3.48Å; I274-G277 PolarHBondContact O-N 3.14Å; L275-G277 VanDerWaalsContact C-N 3.28Å; L275-G277 PolarHBondContact O-N 3.08Å; G277-G279 PolarHBondContact O-N 3.39Å; G277-G279 VanDerWaalsContact O-N 3.11Å; G277-Y280 PolarHBondContact O-N 2.96Å; G277-Y280 VanDerWaalsContact O-N 3.12Å |
| 278 | L | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.7 | -177.3 | -169.3 | 64.7 | 0 | 0 | 0 | 113.1 | F171 F181 N185 L189 L194 C273 Y280 | F171-L278 HydrophobicContact CD1-CD2 3.93Å; F171-L278 HydrophobicContact CE1-CD2 3.55Å; F171-L278 HydrophobicContact CZ-CD2 4.37Å; F181-L278 HydrophobicContact CD1-CD2 3.83Å; F181-L278 HydrophobicContact CD2-CD1 4.42Å; F181-L278 HydrophobicContact CD2-CD2 4.02Å; F181-L278 HydrophobicContact CE1-CD2 3.9Å; F181-L278 HydrophobicContact CE2-CD2 4.07Å; F181-L278 HydrophobicContact CG-CD2 3.91Å; F181-L278 HydrophobicContact CZ-CD2 4.01Å; N185-L278 HydrophobicContact CB-CD1 4.1Å; L189-L278 HydrophobicContact CB-CD1 4.05Å; L189-L278 HydrophobicContact CD1-CB 4.37Å; L189-L278 HydrophobicContact CD2-CB 4.23Å; L189-L278 HydrophobicContact CD2-CD1 4.21Å; L194-L278 HydrophobicContact CD1-CD1 3.91Å; C273-L278 HydrophobicContact CB-CB 4.35Å; C273-L278 PolarHBondContact O-N 2.89Å; L278-Y280 VanDerWaalsContact C-N 3.27Å; L278-Y280 PolarHBondContact O-N 2.91Å |
| 279 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C273 G277 W290 D291 A292 | C273-G279 PolarHBondContact O-N 2.67Å; G277-G279 PolarHBondContact O-N 3.39Å; G277-G279 VanDerWaalsContact O-N 3.11Å; G279-W290 CarbonylContact O-C 3.53Å; G279-W290 WeakPolarHBondContact O-CA 3.43Å; G279-D291 PolarHBondContact O-N 3.33Å; G279-A292 WeakPolarHBondContact O-CB 3.46Å; G279-A292 PolarHBondContact O-N 3.38Å |
| 280 | Y | 97.8 | Very high | 97 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | trans | -76 | 134.8 | -175.6 | -174 | -107.5 | 0 | 0 | 0 | 113.3 | T195 D196 G277 L278 H288 Q289 W290 | T195-Y280 WeakPolarHBondContact O-CE1 3.29Å; D196-Y280 HydrophobicContact CB-CE2 3.96Å; G277-Y280 PolarHBondContact O-N 2.96Å; G277-Y280 VanDerWaalsContact O-N 3.12Å; L278-Y280 VanDerWaalsContact C-N 3.27Å; L278-Y280 PolarHBondContact O-N 2.91Å; Y280-H288 HydrophobicContact CE2-CB 4.05Å; Y280-H288 AromaticContact CE2-ND1 3.56Å; Y280-H288 AromaticContact CZ-ND1 3.79Å; Y280-H288 PolarHBondContact OH-ND1 3.38Å; Y280-H288 VanDerWaalsContact OH-ND1 3.1Å; Y280-Q289 VanDerWaalsContact CD2-O 3.3Å; Y280-Q289 WeakPolarHBondContact CD2-O 3.26Å; Y280-W290 HydrophobicContact CD2-CD2 4.35Å; Y280-W290 HydrophobicContact CD2-CE3 4.19Å; Y280-W290 AromaticContact CD2-CH2 3.84Å; Y280-W290 HydrophobicContact CD2-CH2 3.84Å; Y280-W290 HydrophobicContact CD2-CZ2 4.06Å; Y280-W290 AromaticContact CD2-CZ3 3.93Å; Y280-W290 HydrophobicContact CD2-CZ3 3.93Å; Y280-W290 HydrophobicContact CG-CH2 4.42Å; Y280-W290 HydrophobicContact CG-CZ3 4.22Å | ||
| 281 | N | 95.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | trans | -141.8 | 24 | 178 | 55.5 | -6.2 | 0 | 0 | 0 | 114.2 | Q289 D291 A292 | N281-Q289 PolarHBondContact N-O 3.35Å; N281-Q289 VanDerWaalsContact OD1-C 3.27Å; N281-Q289 WeakPolarHBondContact OD1-CB 3.1Å; N281-Q289 PolarHBondContact OD1-O 3.03Å; N281-D291 PolarHBondContact ND2-OD1 2.92Å; N281-D291 PolarHBondContact OD1-OD1 2.98Å; N281-A292 HydrophobicContact CB-CB 3.82Å; N281-A292 PolarHBondContact ND2-N 3.19Å | ||
| 282 | G | 95.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.1 | -151.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H288 Q289 | G282-H288 CarbonylContact O-C 3.54Å; G282-H288 WeakPolarHBondContact O-CA 3.48Å; G282-Q289 PolarHBondContact O-N 2.87Å |
| 283 | V | 96.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 47% | 0.473 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.2 | -172.4 | -177.8 | 0 | 0 | 0 | 0 | 110 | K287 H288 | V283-K287 WeakPolarHBondContact CA-O 3.21Å; V283-H288 WeakPolarHBondContact CG2-ND1 3.37Å |
| 284 | V | 95.8 | Very high | 96.6 | Very high | 80 Ų | 80 | 46 Ų | 46 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127 | 172.3 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | G286 K287 Q289 | V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 PolarHBondContact O-N 2.91Å; V284-K287 PolarHBondContact N-O 2.93Å; V284-K287 PolarHBondContact O-N 3.41Å; V284-Q289 HydrophobicContact CB-CG 3.97Å; V284-Q289 HydrophobicContact CG2-CG 3.79Å |
| 285 | N | 95.3 | Very high | 96.4 | Very high | 161 Ų | 161 | 46 Ų | 46 | 86% | 0.861 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44.7 | -179 | -58.5 | -27.5 | 0 | 0 | 0 | 113.2 | K287 | N285-K287 PolarHBondContact O-N 3Š|
| 286 | G | 94 | Very high | 96.4 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 73% | 0.732 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 4.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V284 | V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 PolarHBondContact O-N 2.91Å |
| 287 | K | 95.3 | Very high | 96.3 | Very high | 155 Ų | 155 | 50.3 Ų | 50.3 | 67% | 0.674 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130 | 178.3 | -62.9 | -176.2 | -174.5 | 179.7 | 0 | 111.5 | V283 V284 N285 Q289 | V283-K287 WeakPolarHBondContact CA-O 3.21Å; V284-K287 PolarHBondContact N-O 2.93Å; V284-K287 PolarHBondContact O-N 3.41Å; N285-K287 PolarHBondContact O-N 3Å; K287-Q289 PolarHBondContact O-NE2 3.1Å |
| 288 | H | 96.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.375 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 134.7 | 170.7 | -67.7 | -76.2 | 0 | 0 | 0 | 110.8 | D196 Y280 G282 V283 | D196-H288 HydrophobicContact CB-CB 4.4Å; D196-H288 VanDerWaalsContact CB-CE1 3.42Å; D196-H288 WeakPolarHBondContact CB-CE1 3.42Å; D196-H288 VanDerWaalsContact CB-ND1 3.28Å; D196-H288 WeakPolarHBondContact CB-ND1 3.18Å; Y280-H288 HydrophobicContact CE2-CB 4.05Å; Y280-H288 AromaticContact CE2-ND1 3.56Å; Y280-H288 AromaticContact CZ-ND1 3.79Å; Y280-H288 PolarHBondContact OH-ND1 3.38Å; Y280-H288 VanDerWaalsContact OH-ND1 3.1Å; G282-H288 CarbonylContact O-C 3.54Å; G282-H288 WeakPolarHBondContact O-CA 3.48Å; V283-H288 WeakPolarHBondContact CG2-ND1 3.37Å |
| 289 | Q | 97.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.8 | -177.6 | -59 | -55 | -52.6 | 0 | 0 | 110.3 | Y280 N281 G282 V284 K287 | Y280-Q289 VanDerWaalsContact CD2-O 3.3Å; Y280-Q289 WeakPolarHBondContact CD2-O 3.26Å; N281-Q289 PolarHBondContact N-O 3.35Å; N281-Q289 VanDerWaalsContact OD1-C 3.27Å; N281-Q289 WeakPolarHBondContact OD1-CB 3.1Å; N281-Q289 PolarHBondContact OD1-O 3.03Å; G282-Q289 PolarHBondContact O-N 2.87Å; V284-Q289 HydrophobicContact CB-CG 3.97Å; V284-Q289 HydrophobicContact CG2-CG 3.79Å; K287-Q289 PolarHBondContact O-NE2 3.1Å |
| 290 | W | 97.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 63.9 Ų | 63.9 | 13% | 0.129 | 34% | 0.336 | C | S | . | . | trans | -129.1 | 23.1 | -174.6 | -61 | 95.3 | 0 | 0 | 0 | 112 | D196 P202 P207 I274 G279 Y280 | D196-W290 HydrophobicContact CB-CZ2 4.28Å; D196-W290 WeakPolarHBondContact OD1-CH2 3.26Å; P202-W290 HydrophobicContact CB-CH2 3.47Å; P202-W290 VanDerWaalsContact CB-CH2 3.47Å; P202-W290 HydrophobicContact CB-CZ3 3.83Å; P207-W290 HydrophobicContact CB-CB 4.07Å; P207-W290 HydrophobicContact CB-CD2 4.33Å; P207-W290 HydrophobicContact CB-CG 3.81Å; P207-W290 HydrophobicContact CG-CD2 4.21Å; P207-W290 HydrophobicContact CG-CG 3.89Å; I274-W290 HydrophobicContact CD1-CB 4.33Å; I274-W290 VanDerWaalsContact CD1-O 3.26Å; I274-W290 WeakPolarHBondContact CD1-O 3.37Å; I274-W290 HydrophobicContact CG1-CB 4.29Å; I274-W290 VanDerWaalsContact CG1-O 3.29Å; I274-W290 WeakPolarHBondContact CG1-O 3.44Å; I274-W290 HydrophobicContact CG2-CB 4.24Å; I274-W290 HydrophobicContact CG2-CD2 4.4Å; I274-W290 HydrophobicContact CG2-CE3 4.07Å; I274-W290 HydrophobicContact CG2-CG 4.5Å; G279-W290 CarbonylContact O-C 3.53Å; G279-W290 WeakPolarHBondContact O-CA 3.43Å; Y280-W290 HydrophobicContact CD2-CD2 4.35Å; Y280-W290 HydrophobicContact CD2-CE3 4.19Å; Y280-W290 AromaticContact CD2-CH2 3.84Å; Y280-W290 HydrophobicContact CD2-CH2 3.84Å; Y280-W290 HydrophobicContact CD2-CZ2 4.06Å; Y280-W290 AromaticContact CD2-CZ3 3.93Å; Y280-W290 HydrophobicContact CD2-CZ3 3.93Å; Y280-W290 HydrophobicContact CG-CH2 4.42Å; Y280-W290 HydrophobicContact CG-CZ3 4.22Å | ||
| 291 | D | 96.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -107.8 | 13.9 | -172 | 70.4 | -18.1 | 0 | 0 | 0 | 113.3 | G279 N281 C293 A294 | G279-D291 PolarHBondContact O-N 3.33Å; N281-D291 PolarHBondContact ND2-OD1 2.92Å; N281-D291 PolarHBondContact OD1-OD1 2.98Å; D291-C293 PolarHBondContact O-N 2.88Å; D291-C293 VanDerWaalsContact O-N 3.15Å; D291-A294 HydrophobicContact CB-CB 4.02Å; D291-A294 WeakPolarHBondContact O-CB 3.42Å; D291-A294 PolarHBondContact O-N 2.89Å | ||
| 292 | A | 96.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 60.5 Ų | 60.5 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G279 N281 N317 | G279-A292 WeakPolarHBondContact O-CB 3.46Å; G279-A292 PolarHBondContact O-N 3.38Å; N281-A292 HydrophobicContact CB-CB 3.82Å; N281-A292 PolarHBondContact ND2-N 3.19Å; A292-N317 PolarHBondContact O-ND2 3.08Å; A292-N317 VanDerWaalsContact O-ND2 3.16Å; A292-N317 PolarHBondContact O-OD1 3.49Å |
| 293 | C | 96.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.1 | 179.4 | -81 | 0 | 0 | 0 | 0 | 113.2 | P179 E270 C273 D291 N295 N317 | P179-C293 WeakPolarHBondContact CB-O 3.49Å; P179-C293 HydrophobicContact CG-CB 3.65Å; P179-C293 VanDerWaalsContact CG-O 3.27Å; P179-C293 WeakPolarHBondContact CG-O 3.47Å; E270-C293 WeakPolarHBondContact CG-O 3.42Å; C273-C293 HydrophobicContact CB-CB 3.85Å; D291-C293 PolarHBondContact O-N 2.88Å; D291-C293 VanDerWaalsContact O-N 3.15Å; C293-N295 PolarHBondContact O-N 3.25Å; C293-N295 VanDerWaalsContact O-N 3.16Å; C293-N317 PolarHBondContact O-ND2 2.83Å |
| 294 | A | 96.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | trans | -60.1 | 120.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D291 I316 N317 | D291-A294 HydrophobicContact CB-CB 4.02Å; D291-A294 WeakPolarHBondContact O-CB 3.42Å; D291-A294 PolarHBondContact O-N 2.89Å; A294-I316 WeakPolarHBondContact O-CB 3.15Å; A294-N317 PolarHBondContact N-ND2 3.32Å; A294-N317 PolarHBondContact O-ND2 3.26Å | ||
| 295 | N | 95.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -100.4 | -22.4 | 166 | -93.2 | -6.5 | 0 | 0 | 0 | 111 | P179 W266 E270 C293 F314 N315 I316 N317 | P179-N295 WeakPolarHBondContact CA-ND2 3.17Å; W266-N295 HydrophobicContact CB-CB 4.08Å; W266-N295 HydrophobicContact CD2-CB 4.34Å; W266-N295 HydrophobicContact CE3-CB 4.49Å; W266-N295 HydrophobicContact CG-CB 4.18Å; E270-N295 WeakPolarHBondContact OE1-CA 3.21Å; E270-N295 PolarHBondContact OE1-N 3.16Å; C293-N295 PolarHBondContact O-N 3.25Å; C293-N295 VanDerWaalsContact O-N 3.16Å; N295-F314 CarbonylContact O-C 3.56Å; N295-N315 WeakPolarHBondContact O-CA 3.37Å; N295-N315 PolarHBondContact O-N 3.23Å; N295-I316 PolarHBondContact O-N 3.34Å; N295-I316 VanDerWaalsContact O-N 3.08Å; N295-N317 WeakPolarHBondContact OD1-CB 3.5Å; N295-N317 PolarHBondContact OD1-N 2.96Å |
| 296 | M | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -133.1 | 124.6 | -178.1 | -170.2 | 62.5 | 59.2 | 0 | 0 | 114.2 | R211 V263 W266 V267 E270 V298 F301 S313 F314 | R211-M296 PolarHBondContact NH2-O 2.98Å; V263-M296 HydrophobicContact CB-CE 4.34Å; V263-M296 HydrophobicContact CG1-CE 4.48Å; V263-M296 HydrophobicContact CG1-CG 4.01Å; V263-M296 HydrophobicContact CG2-CE 3.56Å; V263-M296 HydrophobicContact CG2-SD 4.35Å; W266-M296 HydrophobicContact CE3-CE 3.76Å; W266-M296 HydrophobicContact CZ3-CE 3.89Å; V267-M296 HydrophobicContact CG2-CB 3.8Å; V267-M296 HydrophobicContact CG2-CG 4.14Å; E270-M296 PolarHBondContact OE1-N 3.39Å; M296-V298 HydrophobicContact CB-CG2 4.4Å; M296-V298 HydrophobicContact CG-CB 4.43Å; M296-V298 HydrophobicContact CG-CG2 3.53Å; M296-F301 HydrophobicContact SD-CB 4.06Å; M296-F301 HydrophobicContact SD-CD1 4.49Å; M296-F301 HydrophobicContact SD-CD2 4.28Å; M296-F301 HydrophobicContact SD-CG 4.03Å; M296-S313 CarbonylContact C-O 3.57Å; M296-S313 VanDerWaalsContact CA-O 3.28Å; M296-S313 WeakPolarHBondContact CA-O 3.44Å; M296-F314 HydrophobicContact CE-CB 4.33Å; M296-F314 HydrophobicContact CE-CD2 3.32Å; M296-F314 HydrophobicContact CE-CE2 3.83Å; M296-F314 HydrophobicContact CE-CG 4.03Å; M296-F314 HydrophobicContact SD-CD2 4.31Å |
| 297 | K | 97.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 43% | 0.426 | 23% | 0.227 | S | C | . | . | trans | -99.6 | 77.4 | 164.2 | -73.7 | 171.1 | -178.6 | 178.5 | 0 | 109.8 | W299 L300 F301 S313 I316 | K297-W299 VanDerWaalsContact C-N 3.32Å; K297-W299 PolarHBondContact O-N 3.27Å; K297-L300 HydrophobicContact CB-CB 4.11Å; K297-L300 HydrophobicContact CD-CD2 4.45Å; K297-L300 PolarHBondContact O-N 3.27Å; K297-F301 PolarHBondContact O-N 3.08Å; K297-S313 PolarHBondContact N-O 3.48Å; K297-I316 HydrophobicContact CB-CD1 4.22Å; K297-I316 HydrophobicContact CD-CD1 3.81Å; K297-I316 HydrophobicContact CG-CD1 3.6Å | ||
| 298 | V | 97 | Very high | 96.3 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -50.2 | -47.4 | -171.1 | -178 | 0 | 0 | 0 | 0 | 112.6 | L214 V263 V267 M296 L300 F301 E302 | L214-V298 HydrophobicContact CD1-CG1 4.27Å; L214-V298 HydrophobicContact CD2-CB 4.05Å; L214-V298 HydrophobicContact CD2-CG2 3.74Å; L214-V298 HydrophobicContact CG-CG2 4.15Å; V263-V298 HydrophobicContact CG1-CG2 4.2Å; V267-V298 HydrophobicContact CG2-CG2 3.86Å; M296-V298 HydrophobicContact CB-CG2 4.4Å; M296-V298 HydrophobicContact CG-CB 4.43Å; M296-V298 HydrophobicContact CG-CG2 3.53Å; V298-L300 PolarHBondContact O-N 3.07Å; V298-F301 WeakPolarHBondContact O-CB 3.32Å; V298-F301 PolarHBondContact O-N 3.38Å; V298-E302 HydrophobicContact CG1-CG 4.09Å; V298-E302 WeakPolarHBondContact O-CB 3.35Å; V298-E302 VanDerWaalsContact O-CG 3.26Å; V298-E302 WeakPolarHBondContact O-CG 3.46Å; V298-E302 PolarHBondContact O-N 3.01Å |
| 299 | W | 96.8 | Very high | 96.3 | Very high | 209 Ų | 209 | 38.9 Ų | 38.9 | 79% | 0.792 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -60.8 | -43.6 | 180 | -175 | -98.3 | 0 | 0 | 0 | 113.2 | K297 E302 T303 | K297-W299 VanDerWaalsContact C-N 3.32Å; K297-W299 PolarHBondContact O-N 3.27Å; W299-E302 PolarHBondContact O-N 3.37Å; W299-T303 HydrophobicContact CD2-CG2 4.15Å; W299-T303 HydrophobicContact CH2-CG2 4.36Å; W299-T303 HydrophobicContact CZ2-CG2 3.95Å; W299-T303 WeakPolarHBondContact O-CB 3.47Å; W299-T303 WeakPolarHBondContact O-CG2 3.39Å; W299-T303 PolarHBondContact O-N 3.07Å; W299-T303 VanDerWaalsContact O-N 3.1Å; W299-T303 PolarHBondContact O-OG1 2.92Å |
| 300 | L | 97.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 34% | 0.335 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 176.9 | 178.4 | 61 | 0 | 0 | 0 | 110.8 | K297 V298 E302 T303 T304 | K297-L300 HydrophobicContact CB-CB 4.11Å; K297-L300 HydrophobicContact CD-CD2 4.45Å; K297-L300 PolarHBondContact O-N 3.27Å; V298-L300 PolarHBondContact O-N 3.07Å; L300-E302 VanDerWaalsContact C-N 3.28Å; L300-E302 PolarHBondContact O-N 3.12Å; L300-T303 PolarHBondContact O-N 3.25Å; L300-T304 WeakPolarHBondContact O-CB 3.12Å; L300-T304 WeakPolarHBondContact O-CG2 3.41Å; L300-T304 PolarHBondContact O-N 2.87Å |
| 301 | F | 96.5 | Very high | 96 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -40.4 | 176.3 | -178.8 | -102.9 | 0 | 0 | 0 | 111.9 | L259 M296 K297 V298 T310 S313 F314 W405 | L259-F301 HydrophobicContact CD1-CE2 4.45Å; L259-F301 HydrophobicContact CD1-CZ 3.76Å; M296-F301 HydrophobicContact SD-CB 4.06Å; M296-F301 HydrophobicContact SD-CD1 4.49Å; M296-F301 HydrophobicContact SD-CD2 4.28Å; M296-F301 HydrophobicContact SD-CG 4.03Å; K297-F301 PolarHBondContact O-N 3.08Å; V298-F301 WeakPolarHBondContact O-CB 3.32Å; V298-F301 PolarHBondContact O-N 3.38Å; F301-T310 HydrophobicContact CD2-CG2 3.84Å; F301-T310 HydrophobicContact CE2-CG2 3.66Å; F301-S313 WeakPolarHBondContact CA-OG 3.15Å; F301-S313 WeakPolarHBondContact CB-OG 3.38Å; F301-F314 HydrophobicContact CD2-CB 4.27Å; F301-F314 HydrophobicContact CD2-CD2 4.28Å; F301-F314 HydrophobicContact CE2-CB 4.36Å; F301-F314 AromaticContact CE2-CD2 3.77Å; F301-F314 HydrophobicContact CE2-CD2 3.77Å; F301-F314 HydrophobicContact CE2-CG 4.46Å; F301-F314 HydrophobicContact CZ-CD2 4.32Å; F301-W405 HydrophobicContact CD1-CH2 4.11Å; F301-W405 AromaticContact CE1-CH2 3.57Å; F301-W405 HydrophobicContact CE1-CH2 3.57Å; F301-W405 HydrophobicContact CE1-CZ3 4.19Å; F301-W405 AromaticContact CZ-CH2 3.88Å; F301-W405 HydrophobicContact CZ-CH2 3.88Å; F301-W405 HydrophobicContact CZ-CZ3 4.13Å |
| 302 | E | 95.3 | Very high | 96 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.4 | -26.4 | -178.8 | -70 | -58.3 | 129.9 | 0 | 0 | 114.3 | K256 Y260 V298 W299 L300 | K256-E302 IonicContact NZ-OE1 2.86Å; K256-E302 IonicContact NZ-OE2 3.87Å; K256-E302 PolarHBondContact NZ-OE2 3.33Å; Y260-E302 WeakPolarHBondContact CE1-OE1 3.44Å; Y260-E302 PolarHBondContact OH-OE1 3.46Å; Y260-E302 PolarHBondContact OH-OE2 2.92Å; V298-E302 HydrophobicContact CG1-CG 4.09Å; V298-E302 WeakPolarHBondContact O-CB 3.35Å; V298-E302 VanDerWaalsContact O-CG 3.26Å; V298-E302 WeakPolarHBondContact O-CG 3.46Å; V298-E302 PolarHBondContact O-N 3.01Å; W299-E302 PolarHBondContact O-N 3.37Å; L300-E302 VanDerWaalsContact C-N 3.28Å; L300-E302 PolarHBondContact O-N 3.12Å |
| 303 | T | 96 | Very high | 96 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 23% | 0.233 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -117.8 | -10.2 | -168.6 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | W299 L300 P305 Y397 Q401 | W299-T303 HydrophobicContact CD2-CG2 4.15Å; W299-T303 HydrophobicContact CH2-CG2 4.36Å; W299-T303 HydrophobicContact CZ2-CG2 3.95Å; W299-T303 WeakPolarHBondContact O-CB 3.47Å; W299-T303 WeakPolarHBondContact O-CG2 3.39Å; W299-T303 PolarHBondContact O-N 3.07Å; W299-T303 VanDerWaalsContact O-N 3.1Å; W299-T303 PolarHBondContact O-OG1 2.92Å; L300-T303 PolarHBondContact O-N 3.25Å; T303-P305 WeakPolarHBondContact O-CD 3.34Å; T303-Y397 WeakPolarHBondContact O-CE2 3.4Å; T303-Y397 PolarHBondContact O-OH 3.04Å; T303-Q401 VanDerWaalsContact C-NE2 3.32Å; T303-Q401 PolarHBondContact O-NE2 3.48Å |
| 304 | T | 96.1 | Very high | 96 | Very high | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | trans | -68.6 | 126.6 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L300 L306 G309 T310 Q401 H404 | L300-T304 WeakPolarHBondContact O-CB 3.12Å; L300-T304 WeakPolarHBondContact O-CG2 3.41Å; L300-T304 PolarHBondContact O-N 2.87Å; T304-L306 WeakPolarHBondContact CG2-O 3.42Å; T304-L306 PolarHBondContact O-N 2.95Å; T304-L306 PolarHBondContact OG1-N 3.2Å; T304-L306 VanDerWaalsContact OG1-N 3.16Å; T304-L306 PolarHBondContact OG1-O 2.98Å; T304-G309 WeakPolarHBondContact OG1-CA 3.23Å; T304-T310 WeakPolarHBondContact CG2-OG1 3.32Å; T304-Q401 PolarHBondContact O-NE2 3.44Å; T304-H404 PolarHBondContact O-CD2 3.12Å | ||
| 305 | P | 94.9 | Very high | 95.9 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -85.2 | 8.2 | 170.3 | 33.1 | -30.2 | 0 | 0 | 0 | 111.9 | T303 Y397 Q400 | T303-P305 WeakPolarHBondContact O-CD 3.34Å; P305-Y397 HydrophobicContact CB-CD2 4.16Å; P305-Y397 HydrophobicContact CB-CE2 4.2Å; P305-Y397 HydrophobicContact CG-CD2 4.02Å; P305-Y397 HydrophobicContact CG-CE2 4.03Å; P305-Q400 HydrophobicContact CB-CB 3.71Å |
| 306 | L | 96.1 | Very high | 96 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -124.1 | 134 | -171.3 | -58.4 | 169.7 | 0 | 0 | 0 | 110.8 | T304 G308 G309 T310 E371 Q375 | T304-L306 WeakPolarHBondContact CG2-O 3.42Å; T304-L306 PolarHBondContact O-N 2.95Å; T304-L306 PolarHBondContact OG1-N 3.2Å; T304-L306 VanDerWaalsContact OG1-N 3.16Å; T304-L306 PolarHBondContact OG1-O 2.98Å; L306-G308 VanDerWaalsContact C-N 3.33Å; L306-G308 PolarHBondContact O-N 3.44Å; L306-G309 WeakPolarHBondContact O-CA 3.25Å; L306-G309 PolarHBondContact O-N 2.99Å; L306-T310 PolarHBondContact O-N 3.39Å; L306-E371 VanDerWaalsContact C-OE2 3.31Å; L306-E371 WeakPolarHBondContact CA-OE2 3.41Å; L306-E371 WeakPolarHBondContact CB-OE2 3.5Å; L306-E371 HydrophobicContact CD2-CG 4.48Å; L306-Q375 HydrophobicContact CD2-CG 4.48Å |
| 307 | F | 96.3 | Very high | 96 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -37.2 | 174.3 | -58.4 | -78.4 | 0 | 0 | 0 | 112.5 | G309 T310 I311 I367 I368 E371 H404 F407 M408 F438 | F307-G309 PolarHBondContact O-N 3.08Å; F307-T310 WeakPolarHBondContact O-CA 3.48Å; F307-T310 WeakPolarHBondContact O-CB 3.32Å; F307-T310 PolarHBondContact O-N 3.25Å; F307-I311 PolarHBondContact O-N 2.81Å; F307-I367 HydrophobicContact CB-CG2 3.75Å; F307-I367 HydrophobicContact CD1-CG2 3.53Å; F307-I367 HydrophobicContact CD2-CG2 3.33Å; F307-I367 HydrophobicContact CE1-CG2 3.92Å; F307-I367 HydrophobicContact CE2-CG2 3.74Å; F307-I367 HydrophobicContact CG-CG2 3.22Å; F307-I367 HydrophobicContact CZ-CG2 4.02Å; F307-I368 HydrophobicContact CB-CD1 3.77Å; F307-E371 WeakPolarHBondContact CD2-OE2 3.45Å; F307-E371 PolarHBondContact N-OE2 3.4Å; F307-H404 AromaticContact CD1-CE1 3.64Å; F307-H404 AromaticContact CD1-ND1 3.47Å; F307-H404 WeakPolarHBondContact CD1-ND1 3.41Å; F307-H404 AromaticContact CE1-ND1 3.49Å; F307-H404 WeakPolarHBondContact CE1-ND1 3.45Å; F307-H404 WeakPolarHBondContact CE1-O 3.38Å; F307-H404 AromaticContact CG-ND1 3.82Å; F307-H404 AromaticContact CZ-ND1 3.87Å; F307-F407 HydrophobicContact CE1-CB 3.91Å; F307-F407 HydrophobicContact CZ-CB 3.72Å; F307-M408 HydrophobicContact CD1-CG 4.21Å; F307-M408 HydrophobicContact CD1-SD 3.95Å; F307-M408 HydrophobicContact CE1-CG 4.14Å; F307-M408 HydrophobicContact CE1-SD 4.41Å; F307-F438 HydrophobicContact CE2-CZ 4.32Å; F307-F438 HydrophobicContact CZ-CZ 4.21Å |
| 308 | G | 95.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.8 | -34.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L306 T310 A312 E371 | L306-G308 VanDerWaalsContact C-N 3.33Å; L306-G308 PolarHBondContact O-N 3.44Å; G308-T310 VanDerWaalsContact C-N 3.34Å; G308-A312 VanDerWaalsContact O-CB 3.3Å; G308-A312 WeakPolarHBondContact O-CB 3.21Å; G308-A312 PolarHBondContact O-N 3.48Å; G308-E371 WeakPolarHBondContact CA-OE1 3.25Å; G308-E371 PolarHBondContact N-OE1 3.48Å |
| 309 | G | 96.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -34.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T304 L306 F307 A312 S313 | T304-G309 WeakPolarHBondContact OG1-CA 3.23Å; L306-G309 WeakPolarHBondContact O-CA 3.25Å; L306-G309 PolarHBondContact O-N 2.99Å; F307-G309 PolarHBondContact O-N 3.08Å; G309-A312 CarbonylContact O-C 3.37Å; G309-A312 PolarHBondContact O-N 3.45Å; G309-S313 VanDerWaalsContact O-CB 3.31Å; G309-S313 WeakPolarHBondContact O-CB 3.48Å; G309-S313 PolarHBondContact O-N 3.25Å; G309-S313 PolarHBondContact O-OG 3.08Å |
| 310 | T | 95.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.2 | -47.6 | 174.5 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | F301 T304 L306 F307 G308 A312 S313 F314 H404 M408 | F301-T310 HydrophobicContact CD2-CG2 3.84Å; F301-T310 HydrophobicContact CE2-CG2 3.66Å; T304-T310 WeakPolarHBondContact CG2-OG1 3.32Å; L306-T310 PolarHBondContact O-N 3.39Å; F307-T310 WeakPolarHBondContact O-CA 3.48Å; F307-T310 WeakPolarHBondContact O-CB 3.32Å; F307-T310 PolarHBondContact O-N 3.25Å; G308-T310 VanDerWaalsContact C-N 3.34Å; T310-A312 PolarHBondContact O-N 3.03Å; T310-S313 WeakPolarHBondContact CA-OG 3.28Å; T310-S313 PolarHBondContact O-N 2.99Å; T310-S313 PolarHBondContact O-OG 3.3Å; T310-F314 VanDerWaalsContact O-CB 3.28Å; T310-F314 WeakPolarHBondContact O-CB 3.21Å; T310-F314 PolarHBondContact O-N 2.67Å; T310-H404 PolarHBondContact OG1-CE1 3.29Å; T310-H404 PolarHBondContact OG1-NE2 3.37Å; T310-M408 HydrophobicContact CG2-CE 3.36Å; T310-M408 HydrophobicContact CG2-SD 3.52Å; T310-M408 VanDerWaalsContact CG2-SD 3.52Å |
| 311 | I | 93.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 27.9 Ų | 27.9 | 29% | 0.292 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.9 | -38.9 | 173.5 | -64.9 | 176.9 | 0 | 0 | 0 | 111.2 | F307 S313 N319 E364 I368 | F307-I311 PolarHBondContact O-N 2.81Å; I311-S313 PolarHBondContact O-N 2.85Å; I311-N319 PolarHBondContact O-ND2 3.13Å; I311-N319 VanDerWaalsContact O-ND2 3.08Å; I311-E364 HydrophobicContact CD1-CG 4.17Å; I311-E364 WeakPolarHBondContact CD1-OE1 3.35Å; I311-I368 HydrophobicContact CD1-CD1 3.42Å; I311-I368 VanDerWaalsContact CD1-CD1 3.42Å; I311-I368 HydrophobicContact CD1-CG1 3.58Å; I311-I368 HydrophobicContact CG1-CD1 4.43Å |
| 312 | A | 95.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 28 Ų | 28 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -73.4 | -11.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G308 G309 T310 | G308-A312 VanDerWaalsContact O-CB 3.3Å; G308-A312 WeakPolarHBondContact O-CB 3.21Å; G308-A312 PolarHBondContact O-N 3.48Å; G309-A312 CarbonylContact O-C 3.37Å; G309-A312 PolarHBondContact O-N 3.45Å; T310-A312 PolarHBondContact O-N 3.03Å |
| 313 | S | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -114.2 | -20 | -176.9 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | M296 K297 F301 G309 T310 I311 | M296-S313 CarbonylContact C-O 3.57Å; M296-S313 VanDerWaalsContact CA-O 3.28Å; M296-S313 WeakPolarHBondContact CA-O 3.44Å; K297-S313 PolarHBondContact N-O 3.48Å; F301-S313 WeakPolarHBondContact CA-OG 3.15Å; F301-S313 WeakPolarHBondContact CB-OG 3.38Å; G309-S313 VanDerWaalsContact O-CB 3.31Å; G309-S313 WeakPolarHBondContact O-CB 3.48Å; G309-S313 PolarHBondContact O-N 3.25Å; G309-S313 PolarHBondContact O-OG 3.08Å; T310-S313 WeakPolarHBondContact CA-OG 3.28Å; T310-S313 PolarHBondContact O-N 2.99Å; T310-S313 PolarHBondContact O-OG 3.3Å; I311-S313 PolarHBondContact O-N 2.85Å |
| 314 | F | 95 | Very high | 95.9 | Very high | 47 Ų | 47 | 28.1 Ų | 28.1 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -108 | 135.2 | -175.8 | -173.5 | -86.4 | 0 | 0 | 0 | 111.5 | L259 W266 N295 M296 F301 T310 I316 N319 | L259-F314 HydrophobicContact CD1-CE2 4.3Å; L259-F314 HydrophobicContact CD2-CE2 4.1Å; L259-F314 HydrophobicContact CD2-CZ 4.13Å; W266-F314 HydrophobicContact CH2-CD1 4.35Å; W266-F314 AromaticContact CH2-CE1 3.59Å; W266-F314 HydrophobicContact CH2-CE1 3.59Å; W266-F314 HydrophobicContact CH2-CE2 4.18Å; W266-F314 AromaticContact CH2-CZ 3.48Å; W266-F314 HydrophobicContact CH2-CZ 3.48Å; W266-F314 VanDerWaalsContact CH2-CZ 3.48Å; W266-F314 HydrophobicContact CZ3-CD1 4.14Å; W266-F314 HydrophobicContact CZ3-CD2 4.08Å; W266-F314 AromaticContact CZ3-CE1 3.7Å; W266-F314 HydrophobicContact CZ3-CE1 3.7Å; W266-F314 AromaticContact CZ3-CE2 3.6Å; W266-F314 HydrophobicContact CZ3-CE2 3.6Å; W266-F314 HydrophobicContact CZ3-CG 4.31Å; W266-F314 AromaticContact CZ3-CZ 3.39Å; W266-F314 HydrophobicContact CZ3-CZ 3.39Å; N295-F314 CarbonylContact O-C 3.56Å; M296-F314 HydrophobicContact CE-CB 4.33Å; M296-F314 HydrophobicContact CE-CD2 3.32Å; M296-F314 HydrophobicContact CE-CE2 3.83Å; M296-F314 HydrophobicContact CE-CG 4.03Å; M296-F314 HydrophobicContact SD-CD2 4.31Å; F301-F314 HydrophobicContact CD2-CB 4.27Å; F301-F314 HydrophobicContact CD2-CD2 4.28Å; F301-F314 HydrophobicContact CE2-CB 4.36Å; F301-F314 AromaticContact CE2-CD2 3.77Å; F301-F314 HydrophobicContact CE2-CD2 3.77Å; F301-F314 HydrophobicContact CE2-CG 4.46Å; F301-F314 HydrophobicContact CZ-CD2 4.32Å; T310-F314 VanDerWaalsContact O-CB 3.28Å; T310-F314 WeakPolarHBondContact O-CB 3.21Å; T310-F314 PolarHBondContact O-N 2.67Å; F314-I316 PolarHBondContact O-N 3.38Å; F314-N319 PolarHBondContact O-ND2 3.5Å |
| 315 | N | 94.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 48 | 43.1 | 179.1 | -158.5 | 6.1 | 0 | 0 | 0 | 114 | W266 N295 N317 T318 N319 | W266-N315 HydrophobicContact CH2-CB 3.81Å; W266-N315 HydrophobicContact CZ3-CB 4.04Å; N295-N315 WeakPolarHBondContact O-CA 3.37Å; N295-N315 PolarHBondContact O-N 3.23Å; N315-N317 PolarHBondContact O-N 3.37Å; N315-T318 VanDerWaalsContact CG-CB 3.45Å; N315-T318 WeakPolarHBondContact ND2-CB 3.39Å; N315-T318 PolarHBondContact O-N 2.83Å; N315-T318 VanDerWaalsContact O-N 3.11Å; N315-T318 WeakPolarHBondContact OD1-CB 3.48Å; N315-T318 PolarHBondContact OD1-OG1 2.86Å; N315-N319 PolarHBondContact O-N 3.42Å |
| 316 | I | 97 | Very high | 96 | Very high | 35 Ų | 35 | 27.8 Ų | 27.8 | 18% | 0.179 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.6 | -47.5 | -164.8 | -63.9 | 165.8 | 0 | 0 | 0 | 113 | A294 N295 K297 F314 T318 N319 A320 | A294-I316 WeakPolarHBondContact O-CB 3.15Å; N295-I316 PolarHBondContact O-N 3.34Å; N295-I316 VanDerWaalsContact O-N 3.08Å; K297-I316 HydrophobicContact CB-CD1 4.22Å; K297-I316 HydrophobicContact CD-CD1 3.81Å; K297-I316 HydrophobicContact CG-CD1 3.6Å; F314-I316 PolarHBondContact O-N 3.38Å; I316-T318 VanDerWaalsContact C-N 3.33Å; I316-T318 PolarHBondContact O-N 3.17Å; I316-N319 PolarHBondContact O-N 3.29Å; I316-A320 WeakPolarHBondContact O-CB 3.17Å; I316-A320 PolarHBondContact O-N 3.27Å |
| 317 | N | 96.3 | Very high | 96 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 18% | 0.176 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.4 | -28.7 | -177.2 | -82.7 | -56.2 | 0 | 0 | 0 | 112.8 | Q180 A292 C293 A294 N295 N315 A320 W321 | Q180-N317 HydrophobicContact CB-CB 3.83Å; Q180-N317 WeakPolarHBondContact O-CB 3.49Å; A292-N317 PolarHBondContact O-ND2 3.08Å; A292-N317 VanDerWaalsContact O-ND2 3.16Å; A292-N317 PolarHBondContact O-OD1 3.49Å; C293-N317 PolarHBondContact O-ND2 2.83Å; A294-N317 PolarHBondContact N-ND2 3.32Å; A294-N317 PolarHBondContact O-ND2 3.26Å; N295-N317 WeakPolarHBondContact OD1-CB 3.5Å; N295-N317 PolarHBondContact OD1-N 2.96Å; N315-N317 PolarHBondContact O-N 3.37Å; N317-A320 PolarHBondContact O-N 3.12Å; N317-W321 WeakPolarHBondContact O-CB 3.28Å; N317-W321 PolarHBondContact O-N 2.89Å |
| 318 | T | 96.3 | Very high | 96 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.2 | -41.6 | 171.5 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | L128 N315 I316 A320 W321 A322 W350 | L128-T318 HydrophobicContact CD1-CG2 3.78Å; N315-T318 VanDerWaalsContact CG-CB 3.45Å; N315-T318 WeakPolarHBondContact ND2-CB 3.39Å; N315-T318 PolarHBondContact O-N 2.83Å; N315-T318 VanDerWaalsContact O-N 3.11Å; N315-T318 WeakPolarHBondContact OD1-CB 3.48Å; N315-T318 PolarHBondContact OD1-OG1 2.86Å; I316-T318 VanDerWaalsContact C-N 3.33Å; I316-T318 PolarHBondContact O-N 3.17Å; T318-A320 VanDerWaalsContact C-N 3.33Å; T318-A320 PolarHBondContact O-N 3.17Å; T318-W321 WeakPolarHBondContact O-CB 3.44Å; T318-W321 PolarHBondContact O-N 3.45Å; T318-W321 VanDerWaalsContact O-N 3.17Å; T318-A322 PolarHBondContact O-N 3.22Å; T318-W350 HydrophobicContact CG2-CH2 4.07Å; T318-W350 HydrophobicContact CG2-CZ3 4.2Å |
| 319 | N | 95.8 | Very high | 96 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 24% | 0.235 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 173.4 | -77.4 | -22.4 | 0 | 0 | 0 | 111.7 | I311 F314 N315 I316 W321 A322 A323 | I311-N319 PolarHBondContact O-ND2 3.13Å; I311-N319 VanDerWaalsContact O-ND2 3.08Å; F314-N319 PolarHBondContact O-ND2 3.5Å; N315-N319 PolarHBondContact O-N 3.42Å; I316-N319 PolarHBondContact O-N 3.29Å; N319-W321 VanDerWaalsContact C-N 3.33Å; N319-W321 PolarHBondContact O-N 3.29Å; N319-A322 PolarHBondContact O-N 3.21Å; N319-A323 VanDerWaalsContact O-CB 3.25Å; N319-A323 WeakPolarHBondContact O-CB 3.21Å; N319-A323 PolarHBondContact O-N 2.87Å |
| 320 | A | 95.9 | Very high | 96 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 33% | 0.331 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I316 N317 T318 R324 | I316-A320 WeakPolarHBondContact O-CB 3.17Å; I316-A320 PolarHBondContact O-N 3.27Å; N317-A320 PolarHBondContact O-N 3.12Å; T318-A320 VanDerWaalsContact C-N 3.33Å; T318-A320 PolarHBondContact O-N 3.17Å; A320-R324 WeakPolarHBondContact O-CB 3.38Å; A320-R324 PolarHBondContact O-N 2.91Å |
| 321 | W | 97.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 173.6 | -174.5 | 103 | 0 | 0 | 0 | 111 | L128 I131 N317 T318 N319 A323 R324 H325 V326 F346 | L128-W321 HydrophobicContact CB-CD2 4.09Å; L128-W321 HydrophobicContact CB-CG 4.47Å; L128-W321 HydrophobicContact CB-CZ2 4.09Å; L128-W321 HydrophobicContact CD1-CD2 4.4Å; L128-W321 HydrophobicContact CD1-CE3 4.35Å; L128-W321 HydrophobicContact CD2-CD2 4.27Å; L128-W321 HydrophobicContact CD2-CE3 3.94Å; L128-W321 HydrophobicContact CD2-CH2 3.69Å; L128-W321 HydrophobicContact CD2-CZ2 3.97Å; L128-W321 HydrophobicContact CD2-CZ3 3.69Å; L128-W321 HydrophobicContact CG-CD2 4.49Å; L128-W321 WeakPolarHBondContact O-CZ2 3.2Å; L128-W321 PolarHBondContact O-NE1 3.34Å; I131-W321 HydrophobicContact CB-CZ2 3.97Å; I131-W321 HydrophobicContact CG2-CH2 4.04Å; I131-W321 HydrophobicContact CG2-CZ2 3.74Å; N317-W321 WeakPolarHBondContact O-CB 3.28Å; N317-W321 PolarHBondContact O-N 2.89Å; T318-W321 WeakPolarHBondContact O-CB 3.44Å; T318-W321 PolarHBondContact O-N 3.45Å; T318-W321 VanDerWaalsContact O-N 3.17Å; N319-W321 VanDerWaalsContact C-N 3.33Å; N319-W321 PolarHBondContact O-N 3.29Å; W321-A323 VanDerWaalsContact C-N 3.32Å; W321-A323 PolarHBondContact O-N 3.17Å; W321-R324 PolarHBondContact O-N 3.11Å; W321-R324 VanDerWaalsContact O-N 3.14Å; W321-H325 AromaticContact CD1-CD2 3.55Å; W321-H325 AromaticContact CD1-NE2 3.96Å; W321-H325 HydrophobicContact CD2-CB 4.3Å; W321-H325 AromaticContact CD2-CD2 3.81Å; W321-H325 AromaticContact CE2-CD2 3.67Å; W321-H325 HydrophobicContact CE3-CB 4.38Å; W321-H325 AromaticContact CG-CD2 3.71Å; W321-H325 HydrophobicContact CH2-CB 4.1Å; W321-H325 HydrophobicContact CZ2-CB 4.06Å; W321-H325 HydrophobicContact CZ3-CB 4.24Å; W321-H325 AromaticContact NE1-CD2 3.54Å; W321-H325 AromaticContact NE1-NE2 3.98Å; W321-H325 WeakPolarHBondContact O-CB 3.36Å; W321-H325 PolarHBondContact O-CD2 3.24Å; W321-H325 VanDerWaalsContact O-CD2 3.3Å; W321-H325 PolarHBondContact O-N 3.06Å; W321-V326 HydrophobicContact CZ3-CG2 3.93Å; W321-F346 HydrophobicContact CE3-CE1 4.24Å; W321-F346 HydrophobicContact CE3-CZ 4.47Å; W321-F346 HydrophobicContact CH2-CE1 4.23Å; W321-F346 HydrophobicContact CH2-CE2 4.45Å; W321-F346 AromaticContact CH2-CZ 3.7Å; W321-F346 HydrophobicContact CH2-CZ 3.7Å; W321-F346 HydrophobicContact CZ3-CD1 4.45Å; W321-F346 AromaticContact CZ3-CE1 3.43Å; W321-F346 HydrophobicContact CZ3-CE1 3.43Å; W321-F346 VanDerWaalsContact CZ3-CE1 3.43Å; W321-F346 HydrophobicContact CZ3-CE2 4.39Å; W321-F346 AromaticContact CZ3-CZ 3.39Å; W321-F346 HydrophobicContact CZ3-CZ 3.39Å |
| 322 | A | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T318 N319 R324 V326 F327 T343 L347 | T318-A322 PolarHBondContact O-N 3.22Å; N319-A322 PolarHBondContact O-N 3.21Å; A322-R324 VanDerWaalsContact C-N 3.34Å; A322-R324 PolarHBondContact O-N 3.34Å; A322-V326 WeakPolarHBondContact O-CA 3.25Å; A322-V326 WeakPolarHBondContact O-CB 3.23Å; A322-V326 PolarHBondContact O-N 3.37Å; A322-F327 PolarHBondContact O-N 3.49Å; A322-T343 HydrophobicContact CB-CG2 4.08Å; A322-L347 HydrophobicContact CB-CD2 4.23Å |
| 323 | A | 95.7 | Very high | 95.8 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -60.1 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | N319 W321 K328 | N319-A323 VanDerWaalsContact O-CB 3.25Å; N319-A323 WeakPolarHBondContact O-CB 3.21Å; N319-A323 PolarHBondContact O-N 2.87Å; W321-A323 VanDerWaalsContact C-N 3.32Å; W321-A323 PolarHBondContact O-N 3.17Å; A323-K328 VanDerWaalsContact O-CB 3.27Å; A323-K328 WeakPolarHBondContact O-CB 3.29Å; A323-K328 WeakPolarHBondContact O-CG 3.29Å; A323-K328 PolarHBondContact O-N 3.06Å |
| 324 | R | 95.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -75.8 | -47.7 | -177.5 | -171.7 | -172.7 | -54.1 | 164.3 | 4 | 112.8 | T182 A320 W321 A322 | T182-R324 VanDerWaalsContact CG2-NH1 3.33Å; A320-R324 WeakPolarHBondContact O-CB 3.38Å; A320-R324 PolarHBondContact O-N 2.91Å; W321-R324 PolarHBondContact O-N 3.11Å; W321-R324 VanDerWaalsContact O-N 3.14Å; A322-R324 VanDerWaalsContact C-N 3.34Å; A322-R324 PolarHBondContact O-N 3.34Å |
| 325 | H | 97.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -93.9 | -19.6 | -168.4 | -63.5 | -77.4 | 0 | 0 | 0 | 113.7 | F135 D136 W321 R329 | F135-H325 WeakPolarHBondContact CB-ND1 3.38Å; F135-H325 HydrophobicContact CD2-CB 4.15Å; F135-H325 AromaticContact CD2-ND1 3.6Å; F135-H325 HydrophobicContact CE2-CB 4.31Å; F135-H325 AromaticContact CG-ND1 3.64Å; D136-H325 IonicContact OD1-CE1 2.65Å; D136-H325 PolarHBondContact OD1-CE1 3.29Å; W321-H325 AromaticContact CD1-CD2 3.55Å; W321-H325 AromaticContact CD1-NE2 3.96Å; W321-H325 HydrophobicContact CD2-CB 4.3Å; W321-H325 AromaticContact CD2-CD2 3.81Å; W321-H325 AromaticContact CE2-CD2 3.67Å; W321-H325 HydrophobicContact CE3-CB 4.38Å; W321-H325 AromaticContact CG-CD2 3.71Å; W321-H325 HydrophobicContact CH2-CB 4.1Å; W321-H325 HydrophobicContact CZ2-CB 4.06Å; W321-H325 HydrophobicContact CZ3-CB 4.24Å; W321-H325 AromaticContact NE1-CD2 3.54Å; W321-H325 AromaticContact NE1-NE2 3.98Å; W321-H325 WeakPolarHBondContact O-CB 3.36Å; W321-H325 PolarHBondContact O-CD2 3.24Å; W321-H325 VanDerWaalsContact O-CD2 3.3Å; W321-H325 PolarHBondContact O-N 3.06Å; H325-R329 VanDerWaalsContact O-CD 3.3Å; H325-R329 WeakPolarHBondContact O-CD 3.47Å |
| 326 | V | 97.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -115.6 | -71.2 | 178.4 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | W321 A322 K328 R329 L330 T343 F346 | W321-V326 HydrophobicContact CZ3-CG2 3.93Å; A322-V326 WeakPolarHBondContact O-CA 3.25Å; A322-V326 WeakPolarHBondContact O-CB 3.23Å; A322-V326 PolarHBondContact O-N 3.37Å; V326-K328 PolarHBondContact O-N 2.76Å; V326-R329 PolarHBondContact O-N 3.12Å; V326-R329 VanDerWaalsContact O-N 3.08Å; V326-L330 HydrophobicContact CG1-CD1 4.03Å; V326-L330 WeakPolarHBondContact O-CG 3.43Å; V326-L330 PolarHBondContact O-N 3.32Å; V326-L330 VanDerWaalsContact O-N 3.08Å; V326-T343 HydrophobicContact CB-CG2 4.42Å; V326-T343 HydrophobicContact CG1-CG2 4.44Å; V326-F346 HydrophobicContact CG1-CB 4.25Å; V326-F346 HydrophobicContact CG1-CG 4.5Å; V326-F346 HydrophobicContact CG2-CD1 3.85Å; V326-F346 HydrophobicContact CG2-CD2 4.38Å; V326-F346 HydrophobicContact CG2-CE1 4.14Å; V326-F346 HydrophobicContact CG2-CG 3.99Å |
| 327 | F | 96.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 23% | 0.228 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -55.7 | -54.1 | -170.4 | -177.8 | -95.7 | 0 | 0 | 0 | 113.7 | A322 R329 L330 K336 H340 T343 | A322-F327 PolarHBondContact O-N 3.49Å; F327-R329 VanDerWaalsContact C-N 3.26Å; F327-R329 PolarHBondContact O-N 3.22Å; F327-L330 PolarHBondContact O-N 2.91Å; F327-K336 HydrophobicContact CE2-CG 4.37Å; F327-K336 HydrophobicContact CZ-CG 3.74Å; F327-H340 HydrophobicContact CE2-CB 4.11Å; F327-T343 WeakPolarHBondContact CA-OG1 3.49Å; F327-T343 HydrophobicContact CB-CG2 4.36Å; F327-T343 WeakPolarHBondContact CB-OG1 3.38Å; F327-T343 PolarHBondContact N-OG1 3.28Å |
| 328 | K | 95.4 | Very high | 95.4 | Very high | 80 Ų | 80 | 60 Ų | 60 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.5 | -178.3 | -73 | 178.8 | -172.5 | -174.1 | 0 | 112.8 | D150 A323 V326 K331 | D150-K328 IonicContact OD2-NZ 3.45Å; D150-K328 PolarHBondContact OD2-NZ 3.07Å; A323-K328 VanDerWaalsContact O-CB 3.27Å; A323-K328 WeakPolarHBondContact O-CB 3.29Å; A323-K328 WeakPolarHBondContact O-CG 3.29Å; A323-K328 PolarHBondContact O-N 3.06Å; V326-K328 PolarHBondContact O-N 2.76Å; K328-K331 VanDerWaalsContact O-CD 3.31Å; K328-K331 WeakPolarHBondContact O-CD 3.38Å; K328-K331 WeakPolarHBondContact O-CG 3.48Å |
| 329 | R | 94.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 60 Ų | 60 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -79.3 | -25.5 | 175.9 | -64.8 | -163.7 | -174 | -96.7 | -3.5 | 112.2 | F135 D139 H325 V326 F327 K331 F332 | F135-R329 VanDerWaalsContact CD1-CZ 3.41Å; D139-R329 IonicContact OD1-CZ 2.59Å; D139-R329 IonicContact OD1-NH1 3.18Å; D139-R329 PolarHBondContact OD1-NH1 3.13Å; D139-R329 IonicContact OD1-NH2 3.7Å; D139-R329 IonicContact OD2-CZ 2.89Å; D139-R329 IonicContact OD2-NH1 3.37Å; D139-R329 PolarHBondContact OD2-NH1 3.5Å; D139-R329 IonicContact OD2-NH2 3.24Å; D139-R329 PolarHBondContact OD2-NH2 3.46Å; H325-R329 VanDerWaalsContact O-CD 3.3Å; H325-R329 WeakPolarHBondContact O-CD 3.47Å; V326-R329 PolarHBondContact O-N 3.12Å; V326-R329 VanDerWaalsContact O-N 3.08Å; F327-R329 VanDerWaalsContact C-N 3.26Å; F327-R329 PolarHBondContact O-N 3.22Å; R329-K331 PolarHBondContact O-N 3.29Å; R329-F332 VanDerWaalsContact O-CD1 3.23Å; R329-F332 WeakPolarHBondContact O-CD1 3.27Å |
| 330 | L | 95.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -79.7 | 12 | 173.9 | -63.6 | 177.3 | 0 | 0 | 0 | 114 | V326 F327 F332 L333 S339 A342 | V326-L330 HydrophobicContact CG1-CD1 4.03Å; V326-L330 WeakPolarHBondContact O-CG 3.43Å; V326-L330 PolarHBondContact O-N 3.32Å; V326-L330 VanDerWaalsContact O-N 3.08Å; F327-L330 PolarHBondContact O-N 2.91Å; L330-F332 HydrophobicContact CD2-CE1 3.84Å; L330-F332 HydrophobicContact CD2-CZ 4.07Å; L330-F332 PolarHBondContact O-N 3.49Å; L330-L333 HydrophobicContact CB-CD1 3.93Å; L330-L333 HydrophobicContact CB-CG 4.5Å; L330-L333 HydrophobicContact CD2-CD1 4.23Å; L330-L333 HydrophobicContact CG-CD1 4.47Å; L330-L333 WeakPolarHBondContact O-CB 3.32Å; L330-L333 WeakPolarHBondContact O-CG 3.41Å; L330-L333 PolarHBondContact O-N 2.82Å; L330-L333 VanDerWaalsContact O-N 3.13Å; L330-S339 PolarHBondContact O-OG 3.31Å; L330-A342 HydrophobicContact CD1-CB 3.36Å |
| 331 | K | 92.7 | Very high | 95.3 | Very high | 144 Ų | 144 | 60.4 Ų | 60.4 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58.8 | -27.5 | 176.2 | -80.9 | 177.7 | -177.1 | -173.5 | 0 | 113.4 | K328 R329 L333 G334 | K328-K331 VanDerWaalsContact O-CD 3.31Å; K328-K331 WeakPolarHBondContact O-CD 3.38Å; K328-K331 WeakPolarHBondContact O-CG 3.48Å; R329-K331 PolarHBondContact O-N 3.29Å; K331-L333 PolarHBondContact O-N 3.32Å; K331-L333 VanDerWaalsContact O-N 3.11Å; K331-G334 PolarHBondContact O-N 3.02Å; K331-G334 VanDerWaalsContact O-N 3.07Å |
| 332 | F | 93.9 | Very high | 95.2 | Very high | 158 Ų | 158 | 61.1 Ų | 61.1 | 69% | 0.693 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -61.4 | -17.9 | 177.8 | 70.6 | -94.2 | 0 | 0 | 0 | 113.2 | R329 L330 G334 | R329-F332 VanDerWaalsContact O-CD1 3.23Å; R329-F332 WeakPolarHBondContact O-CD1 3.27Å; L330-F332 HydrophobicContact CD2-CE1 3.84Å; L330-F332 HydrophobicContact CD2-CZ 4.07Å; L330-F332 PolarHBondContact O-N 3.49Å; F332-G334 PolarHBondContact O-N 3.28Å |
| 333 | L | 93.9 | Very high | 95.2 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -70.9 | -12.6 | 175.5 | -61.9 | 176.4 | 0 | 0 | 0 | 113.4 | L330 K331 N335 L338 | L330-L333 HydrophobicContact CB-CD1 3.93Å; L330-L333 HydrophobicContact CB-CG 4.5Å; L330-L333 HydrophobicContact CD2-CD1 4.23Å; L330-L333 HydrophobicContact CG-CD1 4.47Å; L330-L333 WeakPolarHBondContact O-CB 3.32Å; L330-L333 WeakPolarHBondContact O-CG 3.41Å; L330-L333 PolarHBondContact O-N 2.82Å; L330-L333 VanDerWaalsContact O-N 3.13Å; K331-L333 PolarHBondContact O-N 3.32Å; K331-L333 VanDerWaalsContact O-N 3.11Å; L333-N335 PolarHBondContact O-N 2.79Å; L333-L338 HydrophobicContact CB-CD2 4.13Å; L333-L338 HydrophobicContact CD1-CB 4.41Å; L333-L338 HydrophobicContact CD1-CD2 3.77Å; L333-L338 HydrophobicContact CD1-CG 3.77Å; L333-L338 HydrophobicContact CD2-CD2 4.19Å; L333-L338 HydrophobicContact CG-CD2 4.26Å |
| 334 | G | 95.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 60.3 Ų | 60.3 | 79% | 0.794 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 66.6 | 1.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K331 F332 | K331-G334 PolarHBondContact O-N 3.02Å; K331-G334 VanDerWaalsContact O-N 3.07Å; F332-G334 PolarHBondContact O-N 3.28Å |
| 335 | N | 94.8 | Very high | 95.3 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | trans | -132.6 | 112.8 | -175.5 | -173.9 | -29.6 | 0 | 0 | 0 | 111.6 | L333 T337 L338 S339 | L333-N335 PolarHBondContact O-N 2.79Å; N335-T337 VanDerWaalsContact C-N 3.28Å; N335-T337 PolarHBondContact O-N 3.48Å; N335-T337 WeakPolarHBondContact OD1-CA 3.49Å; N335-T337 VanDerWaalsContact OD1-CB 3.27Å; N335-T337 WeakPolarHBondContact OD1-CB 3.38Å; N335-T337 PolarHBondContact OD1-N 2.59Å; N335-L338 HydrophobicContact CB-CB 4Å; N335-L338 PolarHBondContact O-N 3.21Å; N335-L338 VanDerWaalsContact O-N 3.15Å; N335-L338 PolarHBondContact OD1-N 3.05Å; N335-S339 PolarHBondContact O-N 3.34Å; N335-S339 PolarHBondContact O-OG 2.92Å | ||
| 336 | K | 92.8 | Very high | 95.3 | Very high | 138 Ų | 138 | 63.1 Ų | 63.1 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.7 | -35.4 | -179.8 | -167.4 | -178.8 | 178.6 | 178.7 | 0 | 112.8 | F327 H340 | F327-K336 HydrophobicContact CE2-CG 4.37Å; F327-K336 HydrophobicContact CZ-CG 3.74Å; K336-H340 WeakPolarHBondContact O-CB 3.41Å; K336-H340 PolarHBondContact O-N 3.46Å |
| 337 | T | 93.4 | Very high | 95.2 | Very high | 80 Ų | 80 | 63 Ų | 63 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | N335 H340 V341 F365 | N335-T337 VanDerWaalsContact C-N 3.28Å; N335-T337 PolarHBondContact O-N 3.48Å; N335-T337 WeakPolarHBondContact OD1-CA 3.49Å; N335-T337 VanDerWaalsContact OD1-CB 3.27Å; N335-T337 WeakPolarHBondContact OD1-CB 3.38Å; N335-T337 PolarHBondContact OD1-N 2.59Å; T337-H340 WeakPolarHBondContact O-CB 3.19Å; T337-H340 PolarHBondContact O-N 3.41Å; T337-H340 VanDerWaalsContact O-N 3.12Å; T337-V341 HydrophobicContact CG2-CG2 4.44Å; T337-V341 WeakPolarHBondContact O-CG2 3.12Å; T337-V341 PolarHBondContact O-N 3.44Å; T337-F365 HydrophobicContact CG2-CE2 4.02Å; T337-F365 HydrophobicContact CG2-CZ 3.94Å |
| 338 | L | 95.1 | Very high | 95.2 | Very high | 82 Ų | 82 | 61 Ų | 61 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.5 | -171.4 | 59.5 | 0 | 0 | 0 | 111.7 | L333 N335 H340 V341 A342 | L333-L338 HydrophobicContact CB-CD2 4.13Å; L333-L338 HydrophobicContact CD1-CB 4.41Å; L333-L338 HydrophobicContact CD1-CD2 3.77Å; L333-L338 HydrophobicContact CD1-CG 3.77Å; L333-L338 HydrophobicContact CD2-CD2 4.19Å; L333-L338 HydrophobicContact CG-CD2 4.26Å; N335-L338 HydrophobicContact CB-CB 4Å; N335-L338 PolarHBondContact O-N 3.21Å; N335-L338 VanDerWaalsContact O-N 3.15Å; N335-L338 PolarHBondContact OD1-N 3.05Å; L338-H340 VanDerWaalsContact C-N 3.27Å; L338-H340 PolarHBondContact O-N 2.9Å; L338-V341 PolarHBondContact O-N 3.39Å; L338-A342 WeakPolarHBondContact O-CB 3.28Å; L338-A342 PolarHBondContact O-N 3.18Å |
| 339 | S | 95.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -37.9 | 171.5 | -50.4 | 0 | 0 | 0 | 0 | 112 | L330 N335 T343 | L330-S339 PolarHBondContact O-OG 3.31Å; N335-S339 PolarHBondContact O-N 3.34Å; N335-S339 PolarHBondContact O-OG 2.92Å; S339-T343 WeakPolarHBondContact O-CB 3.35Å; S339-T343 PolarHBondContact O-N 3.35Å; S339-T343 PolarHBondContact O-OG1 3.42Å |
| 340 | H | 94.1 | Very high | 95.4 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 13% | 0.13 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -50.9 | 177.7 | -171.2 | -154 | 0 | 0 | 0 | 111.5 | F327 K336 T337 L338 A342 T343 L344 F365 | F327-H340 HydrophobicContact CE2-CB 4.11Å; K336-H340 WeakPolarHBondContact O-CB 3.41Å; K336-H340 PolarHBondContact O-N 3.46Å; T337-H340 WeakPolarHBondContact O-CB 3.19Å; T337-H340 PolarHBondContact O-N 3.41Å; T337-H340 VanDerWaalsContact O-N 3.12Å; L338-H340 VanDerWaalsContact C-N 3.27Å; L338-H340 PolarHBondContact O-N 2.9Å; H340-A342 VanDerWaalsContact C-N 3.34Å; H340-A342 PolarHBondContact O-N 3.48Å; H340-T343 WeakPolarHBondContact O-CB 3.48Å; H340-T343 PolarHBondContact O-N 3.34Å; H340-T343 VanDerWaalsContact O-N 3.08Å; H340-L344 PolarHBondContact O-N 2.77Å; H340-F365 AromaticContact ND1-CD2 3.69Å; H340-F365 AromaticContact ND1-CE2 3.9Å |
| 341 | V | 95.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | T337 L338 T343 L344 L345 F365 | T337-V341 HydrophobicContact CG2-CG2 4.44Å; T337-V341 WeakPolarHBondContact O-CG2 3.12Å; T337-V341 PolarHBondContact O-N 3.44Å; L338-V341 PolarHBondContact O-N 3.39Å; V341-T343 VanDerWaalsContact C-N 3.29Å; V341-T343 PolarHBondContact O-N 2.96Å; V341-L344 PolarHBondContact O-N 2.79Å; V341-L345 WeakPolarHBondContact O-CB 3.4Å; V341-L345 PolarHBondContact O-N 2.98Å; V341-F365 HydrophobicContact CG2-CD2 4.09Å; V341-F365 HydrophobicContact CG2-CE2 3.65Å; V341-F365 HydrophobicContact CG2-CZ 4.12Å |
| 342 | A | 96.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 26% | 0.256 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -32.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L330 L338 H340 F346 | L330-A342 HydrophobicContact CD1-CB 3.36Å; L338-A342 WeakPolarHBondContact O-CB 3.28Å; L338-A342 PolarHBondContact O-N 3.18Å; H340-A342 VanDerWaalsContact C-N 3.34Å; H340-A342 PolarHBondContact O-N 3.48Å; A342-F346 WeakPolarHBondContact O-CB 3.49Å; A342-F346 PolarHBondContact O-N 3.49Å |
| 343 | T | 96.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | A322 V326 F327 S339 H340 V341 F346 L347 | A322-T343 HydrophobicContact CB-CG2 4.08Å; V326-T343 HydrophobicContact CB-CG2 4.42Å; V326-T343 HydrophobicContact CG1-CG2 4.44Å; F327-T343 WeakPolarHBondContact CA-OG1 3.49Å; F327-T343 HydrophobicContact CB-CG2 4.36Å; F327-T343 WeakPolarHBondContact CB-OG1 3.38Å; F327-T343 PolarHBondContact N-OG1 3.28Å; S339-T343 WeakPolarHBondContact O-CB 3.35Å; S339-T343 PolarHBondContact O-N 3.35Å; S339-T343 PolarHBondContact O-OG1 3.42Å; H340-T343 WeakPolarHBondContact O-CB 3.48Å; H340-T343 PolarHBondContact O-N 3.34Å; H340-T343 VanDerWaalsContact O-N 3.08Å; V341-T343 VanDerWaalsContact C-N 3.29Å; V341-T343 PolarHBondContact O-N 2.96Å; T343-F346 WeakPolarHBondContact O-CB 3.44Å; T343-F346 PolarHBondContact O-N 3.28Å; T343-L347 WeakPolarHBondContact O-CG 3.49Å; T343-L347 PolarHBondContact O-N 2.86Å |
| 344 | L | 96 | Very high | 95.2 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 175.6 | -68.9 | 176.2 | 0 | 0 | 0 | 111.8 | H340 V341 L347 T348 F361 E364 F365 | H340-L344 PolarHBondContact O-N 2.77Å; V341-L344 PolarHBondContact O-N 2.79Å; L344-L347 HydrophobicContact CD2-CD1 4.38Å; L344-L347 PolarHBondContact O-N 3.36Å; L344-T348 WeakPolarHBondContact O-CB 3.42Å; L344-T348 PolarHBondContact O-N 3.47Å; L344-T348 PolarHBondContact O-OG1 2.99Å; L344-F361 HydrophobicContact CD2-CD1 4.16Å; L344-E364 HydrophobicContact CD2-CG 4.37Å; L344-E364 WeakPolarHBondContact CD2-OE1 3.39Å; L344-F365 HydrophobicContact CD1-CB 3.62Å; L344-F365 HydrophobicContact CD1-CD2 4.04Å; L344-F365 HydrophobicContact CD1-CG 4.32Å |
| 345 | L | 96.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 172.5 | -179.7 | 59.8 | 0 | 0 | 0 | 111.2 | V341 L347 T348 I349 | V341-L345 WeakPolarHBondContact O-CB 3.4Å; V341-L345 PolarHBondContact O-N 2.98Å; L345-L347 PolarHBondContact O-N 3.31Å; L345-T348 WeakPolarHBondContact O-CB 3.29Å; L345-T348 PolarHBondContact O-N 2.99Å; L345-I349 HydrophobicContact CD1-CD1 3.99Å; L345-I349 HydrophobicContact CD1-CG1 4.34Å; L345-I349 HydrophobicContact CG-CD1 3.99Å; L345-I349 WeakPolarHBondContact O-CG1 3.39Å; L345-I349 PolarHBondContact O-N 3.01Å |
| 346 | F | 97.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -48 | 173.2 | 166.2 | -94.2 | 0 | 0 | 0 | 111.6 | F96 M100 L128 W321 V326 A342 T343 T348 I349 W350 | F96-F346 HydrophobicContact CE2-CD2 4.41Å; F96-F346 HydrophobicContact CE2-CE2 4.01Å; F96-F346 AromaticContact CZ-CD2 3.81Å; F96-F346 HydrophobicContact CZ-CD2 3.81Å; F96-F346 AromaticContact CZ-CE2 3.69Å; F96-F346 HydrophobicContact CZ-CE2 3.69Å; M100-F346 HydrophobicContact CE-CE2 4.24Å; M100-F346 HydrophobicContact SD-CE2 3.94Å; L128-F346 HydrophobicContact CD2-CE1 4.21Å; L128-F346 HydrophobicContact CD2-CZ 3.68Å; W321-F346 HydrophobicContact CE3-CE1 4.24Å; W321-F346 HydrophobicContact CE3-CZ 4.47Å; W321-F346 HydrophobicContact CH2-CE1 4.23Å; W321-F346 HydrophobicContact CH2-CE2 4.45Å; W321-F346 AromaticContact CH2-CZ 3.7Å; W321-F346 HydrophobicContact CH2-CZ 3.7Å; W321-F346 HydrophobicContact CZ3-CD1 4.45Å; W321-F346 AromaticContact CZ3-CE1 3.43Å; W321-F346 HydrophobicContact CZ3-CE1 3.43Å; W321-F346 VanDerWaalsContact CZ3-CE1 3.43Å; W321-F346 HydrophobicContact CZ3-CE2 4.39Å; W321-F346 AromaticContact CZ3-CZ 3.39Å; W321-F346 HydrophobicContact CZ3-CZ 3.39Å; V326-F346 HydrophobicContact CG1-CB 4.25Å; V326-F346 HydrophobicContact CG1-CG 4.5Å; V326-F346 HydrophobicContact CG2-CD1 3.85Å; V326-F346 HydrophobicContact CG2-CD2 4.38Å; V326-F346 HydrophobicContact CG2-CE1 4.14Å; V326-F346 HydrophobicContact CG2-CG 3.99Å; A342-F346 WeakPolarHBondContact O-CB 3.49Å; A342-F346 PolarHBondContact O-N 3.49Å; T343-F346 WeakPolarHBondContact O-CB 3.44Å; T343-F346 PolarHBondContact O-N 3.28Å; F346-T348 VanDerWaalsContact C-N 3.31Å; F346-T348 PolarHBondContact O-N 3.2Å; F346-I349 PolarHBondContact O-N 3.27Å; F346-W350 HydrophobicContact CE1-CB 4.35Å; F346-W350 HydrophobicContact CZ-CB 4.24Å; F346-W350 HydrophobicContact CZ-CG 4.48Å; F346-W350 VanDerWaalsContact O-CB 3.27Å; F346-W350 WeakPolarHBondContact O-CB 3.34Å; F346-W350 PolarHBondContact O-N 3.01Å |
| 347 | L | 96.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 178.6 | -71.6 | 173.2 | 0 | 0 | 0 | 111.8 | A322 T343 L344 L345 W350 H351 F361 | A322-L347 HydrophobicContact CB-CD2 4.23Å; T343-L347 WeakPolarHBondContact O-CG 3.49Å; T343-L347 PolarHBondContact O-N 2.86Å; L344-L347 HydrophobicContact CD2-CD1 4.38Å; L344-L347 PolarHBondContact O-N 3.36Å; L345-L347 PolarHBondContact O-N 3.31Å; L347-W350 HydrophobicContact CD2-CE3 4.31Å; L347-W350 PolarHBondContact O-N 2.72Å; L347-H351 WeakPolarHBondContact O-CB 3.43Å; L347-H351 PolarHBondContact O-CD2 3.32Å; L347-H351 VanDerWaalsContact O-CD2 3.25Å; L347-H351 PolarHBondContact O-N 3.46Å; L347-F361 HydrophobicContact CB-CD1 4.23Å; L347-F361 HydrophobicContact CB-CE1 3.92Å; L347-F361 HydrophobicContact CB-CZ 4.11Å; L347-F361 HydrophobicContact CD1-CE1 4.4Å |
| 348 | T | 96.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.3 | -53.1 | 175 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | L344 L345 F346 H351 G352 I358 F361 | L344-T348 WeakPolarHBondContact O-CB 3.42Å; L344-T348 PolarHBondContact O-N 3.47Å; L344-T348 PolarHBondContact O-OG1 2.99Å; L345-T348 WeakPolarHBondContact O-CB 3.29Å; L345-T348 PolarHBondContact O-N 2.99Å; F346-T348 VanDerWaalsContact C-N 3.31Å; F346-T348 PolarHBondContact O-N 3.2Å; T348-H351 PolarHBondContact O-N 3.19Å; T348-G352 PolarHBondContact O-N 3.21Å; T348-I358 HydrophobicContact CG2-CB 4.15Å; T348-I358 HydrophobicContact CG2-CG1 3.63Å; T348-F361 VanDerWaalsContact CA-CD2 3.48Å; T348-F361 HydrophobicContact CG2-CD2 4.37Å; T348-F361 WeakPolarHBondContact OG1-CB 3.32Å; T348-F361 VanDerWaalsContact OG1-CD2 3.28Å; T348-F361 WeakPolarHBondContact OG1-CD2 3.37Å; T348-F361 WeakPolarHBondContact OG1-CG 3.21Å |
| 349 | I | 96.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 35.6 Ų | 35.6 | 34% | 0.338 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.1 | -40.4 | -179 | -66 | 167.7 | 0 | 0 | 0 | 110.7 | M100 L104 L345 F346 H351 G352 | M100-I349 HydrophobicContact CE-CG2 3.92Å; L104-I349 HydrophobicContact CD1-CG2 3.84Å; L104-I349 HydrophobicContact CD2-CG2 3.9Å; L104-I349 VanDerWaalsContact CD2-O 3.32Å; L104-I349 WeakPolarHBondContact CD2-O 3.45Å; L104-I349 HydrophobicContact CG-CG2 4.39Å; L345-I349 HydrophobicContact CD1-CD1 3.99Å; L345-I349 HydrophobicContact CD1-CG1 4.34Å; L345-I349 HydrophobicContact CG-CD1 3.99Å; L345-I349 WeakPolarHBondContact O-CG1 3.39Å; L345-I349 PolarHBondContact O-N 3.01Å; F346-I349 PolarHBondContact O-N 3.27Å; I349-H351 VanDerWaalsContact C-N 3.3Å; I349-H351 PolarHBondContact O-N 2.93Å; I349-G352 PolarHBondContact O-N 3.34Å |
| 350 | W | 97.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 36 Ų | 36 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -33.5 | 178.1 | 171.9 | 73 | 0 | 0 | 0 | 112.8 | M100 Y107 C124 L128 T318 F346 L347 | M100-W350 HydrophobicContact CE-CB 4.3Å; Y107-W350 WeakPolarHBondContact CE2-O 3.37Å; Y107-W350 PolarHBondContact OH-O 3.39Å; C124-W350 HydrophobicContact CB-CZ2 3.9Å; C124-W350 PolarHBondContact O-NE1 2.9Å; C124-W350 VanDerWaalsContact SG-CZ2 3.59Å; L128-W350 HydrophobicContact CD1-CD2 4.4Å; L128-W350 HydrophobicContact CD1-CH2 4.3Å; L128-W350 HydrophobicContact CD1-CZ2 3.65Å; L128-W350 HydrophobicContact CD2-CD2 4.45Å; L128-W350 HydrophobicContact CD2-CG 4.21Å; L128-W350 HydrophobicContact CG-CZ2 4.17Å; T318-W350 HydrophobicContact CG2-CH2 4.07Å; T318-W350 HydrophobicContact CG2-CZ3 4.2Å; F346-W350 HydrophobicContact CE1-CB 4.35Å; F346-W350 HydrophobicContact CZ-CB 4.24Å; F346-W350 HydrophobicContact CZ-CG 4.48Å; F346-W350 VanDerWaalsContact O-CB 3.27Å; F346-W350 WeakPolarHBondContact O-CB 3.34Å; F346-W350 PolarHBondContact O-N 3.01Å; L347-W350 HydrophobicContact CD2-CE3 4.31Å; L347-W350 PolarHBondContact O-N 2.72Å |
| 351 | H | 94.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.3 | -32.4 | 175.7 | -92.3 | -78 | 0 | 0 | 0 | 113.3 | L347 T348 I349 Y357 F361 F415 | L347-H351 WeakPolarHBondContact O-CB 3.43Å; L347-H351 PolarHBondContact O-CD2 3.32Å; L347-H351 VanDerWaalsContact O-CD2 3.25Å; L347-H351 PolarHBondContact O-N 3.46Å; T348-H351 PolarHBondContact O-N 3.19Å; I349-H351 VanDerWaalsContact C-N 3.3Å; I349-H351 PolarHBondContact O-N 2.93Å; H351-Y357 HydrophobicContact CB-CD1 4.06Å; H351-Y357 HydrophobicContact CB-CD2 4.17Å; H351-Y357 HydrophobicContact CB-CE1 4.31Å; H351-Y357 HydrophobicContact CB-CE2 4.41Å; H351-Y357 HydrophobicContact CB-CG 3.99Å; H351-Y357 VanDerWaalsContact O-CE2 3.29Å; H351-Y357 WeakPolarHBondContact O-CE2 3.36Å; H351-F361 HydrophobicContact CB-CE2 4.16Å; H351-F361 AromaticContact CD2-CE2 3.48Å; H351-F361 VanDerWaalsContact CD2-CE2 3.48Å; H351-F361 WeakPolarHBondContact CD2-CE2 3.26Å; H351-F361 AromaticContact CD2-CZ 3.21Å; H351-F361 WeakPolarHBondContact CD2-CZ 2.96Å; H351-F361 AromaticContact CG-CE2 3.97Å; H351-F361 AromaticContact NE2-CZ 3.6Å; H351-F415 AromaticContact CE1-CE2 3.86Å; H351-F415 AromaticContact CE1-CZ 3.64Å; H351-F415 AromaticContact ND1-CE2 3.7Å; H351-F415 AromaticContact ND1-CZ 3.54Å |
| 352 | G | 93.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | trans | 148.1 | -164.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T348 I349 | T348-G352 PolarHBondContact O-N 3.21Å; I349-G352 PolarHBondContact O-N 3.34Å | ||
| 353 | L | 92.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 33.3 Ų | 33.3 | 51% | 0.508 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -100 | -2.8 | -170.5 | -60.1 | 177.4 | 0 | 0 | 0 | 114 | L104 Y108 | L104-L353 HydrophobicContact CD2-CD2 3.91Å; L104-L353 HydrophobicContact CD2-CG 4.44Å; Y108-L353 HydrophobicContact CD2-CD1 4.37Å |
| 354 | H | 93.2 | Very high | 95.6 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | trans | -75.1 | 140.6 | -177.9 | -69.6 | -68.8 | 0 | 0 | 0 | 112.1 | G356 Y357 F418 | H354-G356 PolarHBondContact O-N 3.02Å; H354-G356 VanDerWaalsContact O-N 3.11Å; H354-Y357 HydrophobicContact CB-CD2 4.01Å; H354-Y357 HydrophobicContact CB-CE2 4Å; H354-Y357 PolarHBondContact O-N 2.87Å; H354-Y357 VanDerWaalsContact O-N 3.14Å; H354-F418 HydrophobicContact CB-CB 3.92Å; H354-F418 HydrophobicContact CB-CD1 4.48Å; H354-F418 WeakPolarHBondContact CB-O 3.47Å | ||
| 355 | S | 95.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -55.6 | -31 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | Y357 I358 L359 F418 Y420 W423 | S355-Y357 VanDerWaalsContact C-N 3.29Å; S355-Y357 PolarHBondContact O-N 3.38Å; S355-I358 WeakPolarHBondContact O-CB 3.1Å; S355-I358 PolarHBondContact O-N 3.01Å; S355-I358 VanDerWaalsContact O-N 3.17Å; S355-L359 PolarHBondContact O-N 3.48Å; S355-F418 PolarHBondContact N-O 2.89Å; S355-F418 PolarHBondContact OG-O 3.46Å; S355-Y420 PolarHBondContact OG-N 2.9Å; S355-W423 PolarHBondContact OG-NE1 3.2Å |
| 356 | G | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H354 L359 C360 P414 F418 | H354-G356 PolarHBondContact O-N 3.02Å; H354-G356 VanDerWaalsContact O-N 3.11Å; G356-L359 PolarHBondContact O-N 2.95Å; G356-C360 WeakPolarHBondContact O-CB 3.48Å; G356-C360 PolarHBondContact O-N 3.28Å; G356-P414 WeakPolarHBondContact CA-O 3.42Å; G356-F418 PolarHBondContact N-O 3.5Å |
| 357 | Y | 95.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 176.3 | -59.7 | -44.2 | 0 | 0 | 0 | 111.4 | H351 H354 S355 L359 C360 F361 F415 F418 | H351-Y357 HydrophobicContact CB-CD1 4.06Å; H351-Y357 HydrophobicContact CB-CD2 4.17Å; H351-Y357 HydrophobicContact CB-CE1 4.31Å; H351-Y357 HydrophobicContact CB-CE2 4.41Å; H351-Y357 HydrophobicContact CB-CG 3.99Å; H351-Y357 VanDerWaalsContact O-CE2 3.29Å; H351-Y357 WeakPolarHBondContact O-CE2 3.36Å; H354-Y357 HydrophobicContact CB-CD2 4.01Å; H354-Y357 HydrophobicContact CB-CE2 4Å; H354-Y357 PolarHBondContact O-N 2.87Å; H354-Y357 VanDerWaalsContact O-N 3.14Å; S355-Y357 VanDerWaalsContact C-N 3.29Å; S355-Y357 PolarHBondContact O-N 3.38Å; Y357-L359 VanDerWaalsContact C-N 3.26Å; Y357-L359 PolarHBondContact O-N 3.1Å; Y357-C360 PolarHBondContact O-N 2.95Å; Y357-F361 WeakPolarHBondContact O-CD2 3.17Å; Y357-F361 PolarHBondContact O-N 2.97Å; Y357-F361 VanDerWaalsContact O-N 3.08Å; Y357-F415 AromaticContact CD1-CD2 3.53Å; Y357-F415 HydrophobicContact CD1-CD2 3.53Å; Y357-F415 AromaticContact CD1-CE2 3.58Å; Y357-F415 HydrophobicContact CD1-CE2 3.58Å; Y357-F415 HydrophobicContact CD1-CG 4.15Å; Y357-F415 HydrophobicContact CD1-CZ 4.23Å; Y357-F415 HydrophobicContact CE1-CD1 4.37Å; Y357-F415 AromaticContact CE1-CD2 3.89Å; Y357-F415 HydrophobicContact CE1-CD2 3.89Å; Y357-F415 HydrophobicContact CE1-CE1 4.21Å; Y357-F415 AromaticContact CE1-CE2 3.71Å; Y357-F415 HydrophobicContact CE1-CE2 3.71Å; Y357-F415 HydrophobicContact CE1-CG 4.21Å; Y357-F415 AromaticContact CE1-CZ 3.88Å; Y357-F415 HydrophobicContact CE1-CZ 3.88Å; Y357-F418 HydrophobicContact CE1-CD1 4.21Å; Y357-F418 HydrophobicContact CE1-CE1 4.09Å; Y357-F418 AromaticContact CZ-CD1 3.94Å; Y357-F418 AromaticContact CZ-CE1 3.86Å; Y357-F418 VanDerWaalsContact OH-CE1 3.25Å; Y357-F418 WeakPolarHBondContact OH-CE1 3.39Å |
| 358 | I | 95.6 | Very high | 95.4 | Very high | 97 Ų | 97 | 35.4 Ų | 35.4 | 50% | 0.497 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 177.7 | -56.9 | 172.9 | 0 | 0 | 0 | 109.9 | T348 S355 S362 | T348-I358 HydrophobicContact CG2-CB 4.15Å; T348-I358 HydrophobicContact CG2-CG1 3.63Å; S355-I358 WeakPolarHBondContact O-CB 3.1Å; S355-I358 PolarHBondContact O-N 3.01Å; S355-I358 VanDerWaalsContact O-N 3.17Å; I358-S362 VanDerWaalsContact O-CB 3.23Å; I358-S362 WeakPolarHBondContact O-CB 3.36Å; I358-S362 PolarHBondContact O-N 3.46Å; I358-S362 PolarHBondContact O-OG 3.47Å |
| 359 | L | 95.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -40.7 | -177.9 | -165.3 | 55.5 | 0 | 0 | 0 | 112.5 | S355 G356 Y357 S362 M363 P414 W423 Y427 | S355-L359 PolarHBondContact O-N 3.48Å; G356-L359 PolarHBondContact O-N 2.95Å; Y357-L359 VanDerWaalsContact C-N 3.26Å; Y357-L359 PolarHBondContact O-N 3.1Å; L359-S362 PolarHBondContact O-N 3.49Å; L359-M363 WeakPolarHBondContact O-CB 3.49Å; L359-M363 WeakPolarHBondContact O-CG 3.35Å; L359-M363 PolarHBondContact O-N 3.43Å; L359-P414 HydrophobicContact CB-CB 4Å; L359-P414 HydrophobicContact CB-CG 4.06Å; L359-P414 HydrophobicContact CD2-CB 3.84Å; L359-P414 HydrophobicContact CD2-CG 3.97Å; L359-P414 HydrophobicContact CG-CB 4.25Å; L359-P414 HydrophobicContact CG-CG 4.04Å; L359-W423 HydrophobicContact CD2-CD2 3.72Å; L359-W423 HydrophobicContact CD2-CE3 3.4Å; L359-W423 VanDerWaalsContact CD2-CE3 3.4Å; L359-W423 HydrophobicContact CD2-CH2 3.61Å; L359-W423 HydrophobicContact CD2-CZ2 3.83Å; L359-W423 HydrophobicContact CD2-CZ3 3.38Å; L359-Y427 HydrophobicContact CD2-CD2 3.95Å; L359-Y427 HydrophobicContact CD2-CE2 3.34Å; L359-Y427 HydrophobicContact CG-CE2 3.99Å |
| 360 | C | 96.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -54.1 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | G356 Y357 S362 M363 E364 P411 F415 | G356-C360 WeakPolarHBondContact O-CB 3.48Å; G356-C360 PolarHBondContact O-N 3.28Å; Y357-C360 PolarHBondContact O-N 2.95Å; C360-S362 VanDerWaalsContact C-N 3.34Å; C360-S362 PolarHBondContact O-N 2.63Å; C360-M363 WeakPolarHBondContact O-CB 3.29Å; C360-M363 PolarHBondContact O-N 2.82Å; C360-E364 PolarHBondContact O-N 3.42Å; C360-P411 WeakPolarHBondContact CB-O 3.2Å; C360-P411 PolarHBondContact SG-O 3.13Å; C360-F415 HydrophobicContact CB-CB 3.93Å; C360-F415 HydrophobicContact CB-CD2 4.03Å; C360-F415 HydrophobicContact CB-CG 4.49Å |
| 361 | F | 95.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.3 | -27.8 | -178.5 | -70.9 | -66.7 | 0 | 0 | 0 | 113.2 | L344 L347 T348 H351 Y357 E364 F365 F415 | L344-F361 HydrophobicContact CD2-CD1 4.16Å; L347-F361 HydrophobicContact CB-CD1 4.23Å; L347-F361 HydrophobicContact CB-CE1 3.92Å; L347-F361 HydrophobicContact CB-CZ 4.11Å; L347-F361 HydrophobicContact CD1-CE1 4.4Å; T348-F361 VanDerWaalsContact CA-CD2 3.48Å; T348-F361 HydrophobicContact CG2-CD2 4.37Å; T348-F361 WeakPolarHBondContact OG1-CB 3.32Å; T348-F361 VanDerWaalsContact OG1-CD2 3.28Å; T348-F361 WeakPolarHBondContact OG1-CD2 3.37Å; T348-F361 WeakPolarHBondContact OG1-CG 3.21Å; H351-F361 HydrophobicContact CB-CE2 4.16Å; H351-F361 AromaticContact CD2-CE2 3.48Å; H351-F361 VanDerWaalsContact CD2-CE2 3.48Å; H351-F361 WeakPolarHBondContact CD2-CE2 3.26Å; H351-F361 AromaticContact CD2-CZ 3.21Å; H351-F361 WeakPolarHBondContact CD2-CZ 2.96Å; H351-F361 AromaticContact CG-CE2 3.97Å; H351-F361 AromaticContact NE2-CZ 3.6Å; Y357-F361 WeakPolarHBondContact O-CD2 3.17Å; Y357-F361 PolarHBondContact O-N 2.97Å; Y357-F361 VanDerWaalsContact O-N 3.08Å; F361-E364 WeakPolarHBondContact CD1-OE2 3.46Å; F361-E364 PolarHBondContact O-N 3.15Å; F361-F365 PolarHBondContact O-N 3.29Å; F361-F415 HydrophobicContact CE2-CE2 4.37Å; F361-F415 HydrophobicContact CZ-CE2 4.43Å |
| 362 | S | 95.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 38 Ų | 38 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 170.4 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | I358 L359 C360 F365 F366 | I358-S362 VanDerWaalsContact O-CB 3.23Å; I358-S362 WeakPolarHBondContact O-CB 3.36Å; I358-S362 PolarHBondContact O-N 3.46Å; I358-S362 PolarHBondContact O-OG 3.47Å; L359-S362 PolarHBondContact O-N 3.49Å; C360-S362 VanDerWaalsContact C-N 3.34Å; C360-S362 PolarHBondContact O-N 2.63Å; S362-F365 WeakPolarHBondContact O-CB 3.38Å; S362-F365 PolarHBondContact O-N 3.37Å; S362-F366 WeakPolarHBondContact O-CD2 3.46Å; S362-F366 PolarHBondContact O-N 3.32Å |
| 363 | M | 96.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.4 | -75.7 | -59.6 | -62.4 | 0 | 0 | 111.8 | L359 C360 F365 F366 I367 Y410 P411 H435 F438 | L359-M363 WeakPolarHBondContact O-CB 3.49Å; L359-M363 WeakPolarHBondContact O-CG 3.35Å; L359-M363 PolarHBondContact O-N 3.43Å; C360-M363 WeakPolarHBondContact O-CB 3.29Å; C360-M363 PolarHBondContact O-N 2.82Å; M363-F365 VanDerWaalsContact C-N 3.26Å; M363-F365 PolarHBondContact O-N 2.83Å; M363-F366 PolarHBondContact O-N 3.14Å; M363-F366 VanDerWaalsContact O-N 3.13Å; M363-I367 HydrophobicContact CB-CD1 4.33Å; M363-I367 HydrophobicContact CE-CD1 4.37Å; M363-I367 HydrophobicContact CE-CG1 4.45Å; M363-I367 WeakPolarHBondContact O-CB 3.23Å; M363-I367 WeakPolarHBondContact O-CG1 3.47Å; M363-I367 PolarHBondContact O-N 3.11Å; M363-Y410 HydrophobicContact CE-CD1 4.13Å; M363-Y410 HydrophobicContact CE-CE1 4.04Å; M363-P411 HydrophobicContact CB-CB 3.96Å; M363-P411 HydrophobicContact CB-CG 3.86Å; M363-H435 PolarHBondContact SD-NE2 3.23Å; M363-F438 HydrophobicContact CE-CD2 3.79Å; M363-F438 HydrophobicContact CE-CE2 4.41Å |
| 364 | E | 95.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.8 | -44.9 | 174 | -174.7 | -175.1 | 153.2 | 0 | 0 | 111.6 | I311 L344 C360 F361 F366 I367 I368 | I311-E364 HydrophobicContact CD1-CG 4.17Å; I311-E364 WeakPolarHBondContact CD1-OE1 3.35Å; L344-E364 HydrophobicContact CD2-CG 4.37Å; L344-E364 WeakPolarHBondContact CD2-OE1 3.39Å; C360-E364 PolarHBondContact O-N 3.42Å; F361-E364 WeakPolarHBondContact CD1-OE2 3.46Å; F361-E364 PolarHBondContact O-N 3.15Å; E364-F366 PolarHBondContact O-N 2.91Å; E364-I367 PolarHBondContact O-N 3.02Å; E364-I368 HydrophobicContact CG-CG1 4.33Å; E364-I368 WeakPolarHBondContact O-CB 3.17Å; E364-I368 WeakPolarHBondContact O-CG1 3.26Å; E364-I368 PolarHBondContact O-N 3.01Å |
| 365 | F | 94.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 19% | 0.193 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 177 | 178.2 | -100.1 | 0 | 0 | 0 | 112.6 | T337 H340 V341 L344 F361 S362 M363 T369 | T337-F365 HydrophobicContact CG2-CE2 4.02Å; T337-F365 HydrophobicContact CG2-CZ 3.94Å; H340-F365 AromaticContact ND1-CD2 3.69Å; H340-F365 AromaticContact ND1-CE2 3.9Å; V341-F365 HydrophobicContact CG2-CD2 4.09Å; V341-F365 HydrophobicContact CG2-CE2 3.65Å; V341-F365 HydrophobicContact CG2-CZ 4.12Å; L344-F365 HydrophobicContact CD1-CB 3.62Å; L344-F365 HydrophobicContact CD1-CD2 4.04Å; L344-F365 HydrophobicContact CD1-CG 4.32Å; F361-F365 PolarHBondContact O-N 3.29Å; S362-F365 WeakPolarHBondContact O-CB 3.38Å; S362-F365 PolarHBondContact O-N 3.37Å; M363-F365 VanDerWaalsContact C-N 3.26Å; M363-F365 PolarHBondContact O-N 2.83Å; F365-T369 VanDerWaalsContact O-CB 3.3Å; F365-T369 WeakPolarHBondContact O-CB 3.14Å; F365-T369 PolarHBondContact O-N 2.63Å; F365-T369 PolarHBondContact O-OG1 2.92Å |
| 366 | F | 95.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 38.5 Ų | 38.5 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.1 | -45.8 | -179.5 | -73.1 | -67.7 | 0 | 0 | 0 | 111.7 | S362 M363 E364 I368 T369 V370 | S362-F366 WeakPolarHBondContact O-CD2 3.46Å; S362-F366 PolarHBondContact O-N 3.32Å; M363-F366 PolarHBondContact O-N 3.14Å; M363-F366 VanDerWaalsContact O-N 3.13Å; E364-F366 PolarHBondContact O-N 2.91Å; F366-I368 PolarHBondContact O-N 3.32Å; F366-T369 PolarHBondContact O-N 2.82Å; F366-V370 WeakPolarHBondContact O-CB 3.17Å; F366-V370 WeakPolarHBondContact O-CG2 3.22Å; F366-V370 PolarHBondContact O-N 3.25Å |
| 367 | I | 97.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -51 | 179.5 | -68.8 | 171.7 | 0 | 0 | 0 | 110.5 | F307 M363 E364 T369 V370 E371 P411 F438 | F307-I367 HydrophobicContact CB-CG2 3.75Å; F307-I367 HydrophobicContact CD1-CG2 3.53Å; F307-I367 HydrophobicContact CD2-CG2 3.33Å; F307-I367 HydrophobicContact CE1-CG2 3.92Å; F307-I367 HydrophobicContact CE2-CG2 3.74Å; F307-I367 HydrophobicContact CG-CG2 3.22Å; F307-I367 HydrophobicContact CZ-CG2 4.02Å; M363-I367 HydrophobicContact CB-CD1 4.33Å; M363-I367 HydrophobicContact CE-CD1 4.37Å; M363-I367 HydrophobicContact CE-CG1 4.45Å; M363-I367 WeakPolarHBondContact O-CB 3.23Å; M363-I367 WeakPolarHBondContact O-CG1 3.47Å; M363-I367 PolarHBondContact O-N 3.11Å; E364-I367 PolarHBondContact O-N 3.02Å; I367-T369 VanDerWaalsContact C-N 3.32Å; I367-T369 PolarHBondContact O-N 3.23Å; I367-V370 PolarHBondContact O-N 3.21Å; I367-E371 WeakPolarHBondContact O-CB 3.29Å; I367-E371 PolarHBondContact O-N 2.61Å; I367-P411 HydrophobicContact CD1-CG 3.64Å; I367-F438 HydrophobicContact CB-CE1 4.17Å; I367-F438 HydrophobicContact CB-CZ 4.3Å; I367-F438 HydrophobicContact CD1-CE2 4.01Å; I367-F438 HydrophobicContact CD1-CZ 4.23Å; I367-F438 HydrophobicContact CG1-CD1 4.08Å; I367-F438 HydrophobicContact CG1-CD2 3.8Å; I367-F438 HydrophobicContact CG1-CE1 3.81Å; I367-F438 HydrophobicContact CG1-CE2 3.54Å; I367-F438 HydrophobicContact CG1-CG 4.1Å; I367-F438 HydrophobicContact CG1-CZ 3.56Å; I367-F438 HydrophobicContact CG2-CE1 4.14Å; I367-F438 HydrophobicContact CG2-CZ 4.18Å |
| 368 | I | 95.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -32.8 | -179.3 | -66.8 | -63.3 | 0 | 0 | 0 | 111.9 | F307 I311 E364 F366 R372 | F307-I368 HydrophobicContact CB-CD1 3.77Å; I311-I368 HydrophobicContact CD1-CD1 3.42Å; I311-I368 VanDerWaalsContact CD1-CD1 3.42Å; I311-I368 HydrophobicContact CD1-CG1 3.58Å; I311-I368 HydrophobicContact CG1-CD1 4.43Å; E364-I368 HydrophobicContact CG-CG1 4.33Å; E364-I368 WeakPolarHBondContact O-CB 3.17Å; E364-I368 WeakPolarHBondContact O-CG1 3.26Å; E364-I368 PolarHBondContact O-N 3.01Å; F366-I368 PolarHBondContact O-N 3.32Å; I368-R372 WeakPolarHBondContact O-CB 3.4Å; I368-R372 VanDerWaalsContact O-CG 3.25Å; I368-R372 WeakPolarHBondContact O-CG 3.26Å; I368-R372 PolarHBondContact O-N 2.81Å; I368-R372 VanDerWaalsContact O-N 3.08Å |
| 369 | T | 94.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 20% | 0.202 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -46.9 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | F365 F366 I367 R372 Q373 Y442 | F365-T369 VanDerWaalsContact O-CB 3.3Å; F365-T369 WeakPolarHBondContact O-CB 3.14Å; F365-T369 PolarHBondContact O-N 2.63Å; F365-T369 PolarHBondContact O-OG1 2.92Å; F366-T369 PolarHBondContact O-N 2.82Å; I367-T369 VanDerWaalsContact C-N 3.32Å; I367-T369 PolarHBondContact O-N 3.23Å; T369-R372 PolarHBondContact O-N 3.4Å; T369-Q373 WeakPolarHBondContact O-CG 3.41Å; T369-Q373 PolarHBondContact O-N 3.33Å; T369-Y442 HydrophobicContact CG2-CD2 4.12Å; T369-Y442 HydrophobicContact CG2-CE2 3.92Å |
| 370 | V | 96.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 177 | 169 | 0 | 0 | 0 | 0 | 111 | F366 I367 R372 Q373 A374 F438 A441 L445 | F366-V370 WeakPolarHBondContact O-CB 3.17Å; F366-V370 WeakPolarHBondContact O-CG2 3.22Å; F366-V370 PolarHBondContact O-N 3.25Å; I367-V370 PolarHBondContact O-N 3.21Å; V370-R372 VanDerWaalsContact C-N 3.34Å; V370-R372 PolarHBondContact O-N 3.48Å; V370-Q373 PolarHBondContact O-N 3.48Å; V370-Q373 VanDerWaalsContact O-N 3.17Å; V370-A374 WeakPolarHBondContact O-CB 3.25Å; V370-A374 PolarHBondContact O-N 2.97Å; V370-F438 HydrophobicContact CB-CD1 3.94Å; V370-F438 HydrophobicContact CG1-CD1 3.96Å; V370-F438 HydrophobicContact CG1-CE1 4.4Å; V370-F438 HydrophobicContact CG2-CB 4.42Å; V370-F438 HydrophobicContact CG2-CD1 4.11Å; V370-F438 WeakPolarHBondContact CG2-O 3.39Å; V370-A441 HydrophobicContact CG1-CB 3.67Å; V370-A441 HydrophobicContact CG2-CB 4.46Å; V370-L445 HydrophobicContact CG1-CD1 3.84Å |
| 371 | E | 96.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 177.6 | 177.2 | 173.7 | 87.2 | 0 | 0 | 111.4 | L306 F307 G308 I367 Q373 A374 Q375 | L306-E371 VanDerWaalsContact C-OE2 3.31Å; L306-E371 WeakPolarHBondContact CA-OE2 3.41Å; L306-E371 WeakPolarHBondContact CB-OE2 3.5Å; L306-E371 HydrophobicContact CD2-CG 4.48Å; F307-E371 WeakPolarHBondContact CD2-OE2 3.45Å; F307-E371 PolarHBondContact N-OE2 3.4Å; G308-E371 WeakPolarHBondContact CA-OE1 3.25Å; G308-E371 PolarHBondContact N-OE1 3.48Å; I367-E371 WeakPolarHBondContact O-CB 3.29Å; I367-E371 PolarHBondContact O-N 2.61Å; E371-Q373 VanDerWaalsContact C-N 3.3Å; E371-Q373 PolarHBondContact O-N 2.68Å; E371-A374 PolarHBondContact O-N 3.5Å; E371-Q375 HydrophobicContact CG-CG 4.21Å; E371-Q375 WeakPolarHBondContact O-CB 3.27Å; E371-Q375 WeakPolarHBondContact O-CG 3.39Å; E371-Q375 PolarHBondContact O-N 2.98Å |
| 372 | R | 95.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 46.1 Ų | 46.1 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 178.3 | -75 | 177 | -173.9 | -178.4 | 9.7 | 112.4 | I368 T369 V370 A376 | I368-R372 WeakPolarHBondContact O-CB 3.4Å; I368-R372 VanDerWaalsContact O-CG 3.25Å; I368-R372 WeakPolarHBondContact O-CG 3.26Å; I368-R372 PolarHBondContact O-N 2.81Å; I368-R372 VanDerWaalsContact O-N 3.08Å; T369-R372 PolarHBondContact O-N 3.4Å; V370-R372 VanDerWaalsContact C-N 3.34Å; V370-R372 PolarHBondContact O-N 3.48Å; R372-A376 WeakPolarHBondContact O-CB 3.27Å; R372-A376 PolarHBondContact O-N 3.49Å |
| 373 | Q | 95.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 175.5 | -70.7 | -179 | 28.2 | 0 | 0 | 111.5 | T369 V370 E371 A376 L377 Y442 L445 | T369-Q373 WeakPolarHBondContact O-CG 3.41Å; T369-Q373 PolarHBondContact O-N 3.33Å; V370-Q373 PolarHBondContact O-N 3.48Å; V370-Q373 VanDerWaalsContact O-N 3.17Å; E371-Q373 VanDerWaalsContact C-N 3.3Å; E371-Q373 PolarHBondContact O-N 2.68Å; Q373-A376 PolarHBondContact O-N 3.17Å; Q373-L377 WeakPolarHBondContact O-CB 3.48Å; Q373-L377 PolarHBondContact O-N 2.94Å; Q373-Y442 VanDerWaalsContact NE2-CE2 3.3Å; Q373-L445 HydrophobicContact CB-CB 4.32Å; Q373-L445 HydrophobicContact CB-CD1 3.83Å |
| 374 | A | 95.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 28% | 0.281 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V370 E371 L377 V378 L445 | V370-A374 WeakPolarHBondContact O-CB 3.25Å; V370-A374 PolarHBondContact O-N 2.97Å; E371-A374 PolarHBondContact O-N 3.5Å; A374-L377 WeakPolarHBondContact O-CB 3.17Å; A374-L377 PolarHBondContact O-N 3.41Å; A374-V378 WeakPolarHBondContact O-CG2 3.29Å; A374-V378 PolarHBondContact O-N 3.42Å; A374-L445 HydrophobicContact CB-CD1 4.12Å; A374-L445 HydrophobicContact CB-CD2 4.21Å |
| 375 | Q | 94.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 34% | 0.341 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.3 | -72.9 | -176.3 | -40.7 | 0 | 0 | 111.7 | L306 E371 L377 V378 L379 | L306-Q375 HydrophobicContact CD2-CG 4.48Å; E371-Q375 HydrophobicContact CG-CG 4.21Å; E371-Q375 WeakPolarHBondContact O-CB 3.27Å; E371-Q375 WeakPolarHBondContact O-CG 3.39Å; E371-Q375 PolarHBondContact O-N 2.98Å; Q375-L377 VanDerWaalsContact C-N 3.3Å; Q375-L377 PolarHBondContact O-N 3.33Å; Q375-V378 PolarHBondContact O-N 2.85Å; Q375-L379 WeakPolarHBondContact O-CB 3.41Å; Q375-L379 VanDerWaalsContact O-CG 3.28Å; Q375-L379 WeakPolarHBondContact O-CG 3.42Å; Q375-L379 PolarHBondContact O-N 2.96Å |
| 376 | A | 93.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R372 Q373 L379 D380 | R372-A376 WeakPolarHBondContact O-CB 3.27Å; R372-A376 PolarHBondContact O-N 3.49Å; Q373-A376 PolarHBondContact O-N 3.17Å; A376-L379 PolarHBondContact O-N 2.86Å; A376-D380 VanDerWaalsContact O-CB 3.26Å; A376-D380 WeakPolarHBondContact O-CB 3.37Å; A376-D380 PolarHBondContact O-N 2.92Å |
| 377 | L | 94.8 | Very high | 94 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.8 | 176 | 60.6 | 0 | 0 | 0 | 112.4 | Q373 A374 Q375 L379 D380 S381 L384 L445 L448 R449 L452 V453 | Q373-L377 WeakPolarHBondContact O-CB 3.48Å; Q373-L377 PolarHBondContact O-N 2.94Å; A374-L377 WeakPolarHBondContact O-CB 3.17Å; A374-L377 PolarHBondContact O-N 3.41Å; Q375-L377 VanDerWaalsContact C-N 3.3Å; Q375-L377 PolarHBondContact O-N 3.33Å; L377-L379 VanDerWaalsContact C-N 3.33Å; L377-L379 PolarHBondContact O-N 3.28Å; L377-D380 PolarHBondContact O-N 3.46Å; L377-S381 VanDerWaalsContact O-CB 3.25Å; L377-S381 WeakPolarHBondContact O-CB 3.32Å; L377-S381 PolarHBondContact O-N 2.9Å; L377-L384 HydrophobicContact CD1-CD1 4.32Å; L377-L384 HydrophobicContact CD2-CD1 4.17Å; L377-L384 HydrophobicContact CG-CD1 3.71Å; L377-L445 HydrophobicContact CD2-CD2 3.62Å; L377-L448 HydrophobicContact CD2-CB 3.78Å; L377-L448 HydrophobicContact CD2-CD1 4.39Å; L377-R449 VanDerWaalsContact CD1-CA 3.49Å; L377-R449 HydrophobicContact CD1-CB 3.92Å; L377-R449 HydrophobicContact CD1-CG 4.1Å; L377-L452 HydrophobicContact CD1-CB 4.41Å; L377-V453 HydrophobicContact CD1-CG2 4.04Å |
| 378 | V | 93.7 | Very high | 93.7 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | A374 Q375 L384 T385 A388 | A374-V378 WeakPolarHBondContact O-CG2 3.29Å; A374-V378 PolarHBondContact O-N 3.42Å; Q375-V378 PolarHBondContact O-N 2.85Å; V378-L384 HydrophobicContact CB-CB 4.41Å; V378-L384 HydrophobicContact CG1-CB 4.38Å; V378-L384 HydrophobicContact CG2-CB 4.32Å; V378-L384 HydrophobicContact CG2-CD1 4.36Å; V378-T385 PolarHBondContact O-N 3.27Å; V378-T385 PolarHBondContact O-OG1 3.08Å; V378-A388 HydrophobicContact CG1-CB 4.17Å |
| 379 | L | 92.7 | Very high | 93.5 | Very high | 132 Ų | 132 | 59.4 Ų | 59.4 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.2 | -39.8 | 179 | -70 | 170.7 | 0 | 0 | 0 | 112.9 | Q375 A376 L377 | Q375-L379 WeakPolarHBondContact O-CB 3.41Å; Q375-L379 VanDerWaalsContact O-CG 3.28Å; Q375-L379 WeakPolarHBondContact O-CG 3.42Å; Q375-L379 PolarHBondContact O-N 2.96Å; A376-L379 PolarHBondContact O-N 2.86Å; L377-L379 VanDerWaalsContact C-N 3.33Å; L377-L379 PolarHBondContact O-N 3.28Å |
| 380 | D | 93.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -80.1 | -21.2 | -176.4 | -70.8 | -17.5 | 0 | 0 | 0 | 112.8 | A376 L377 R449 V453 | A376-D380 VanDerWaalsContact O-CB 3.26Å; A376-D380 WeakPolarHBondContact O-CB 3.37Å; A376-D380 PolarHBondContact O-N 2.92Å; L377-D380 PolarHBondContact O-N 3.46Å; D380-R449 IonicContact OD2-CZ 3.97Å; D380-R449 IonicContact OD2-NE 2.63Å; D380-R449 PolarHBondContact OD2-NE 3.31Å; D380-R449 VanDerWaalsContact OD2-NE 3.16Å; D380-R449 IonicContact OD2-NH2 3.79Å; D380-R449 PolarHBondContact OD2-NH2 2.92Å; D380-V453 HydrophobicContact CB-CB 4.48Å; D380-V453 HydrophobicContact CB-CG1 3.97Å; D380-V453 HydrophobicContact CB-CG2 3.61Å |
| 381 | S | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -98 | 117.4 | -178.9 | -178 | 0 | 0 | 0 | 0 | 111.7 | L377 L383 L384 T385 L452 | L377-S381 VanDerWaalsContact O-CB 3.25Å; L377-S381 WeakPolarHBondContact O-CB 3.32Å; L377-S381 PolarHBondContact O-N 2.9Å; S381-L383 PolarHBondContact O-N 2.85Å; S381-L384 PolarHBondContact O-N 3.24Å; S381-T385 WeakPolarHBondContact O-CB 3.14Å; S381-T385 PolarHBondContact O-N 3.1Å; S381-T385 PolarHBondContact O-OG1 3.32Å; S381-L452 WeakPolarHBondContact CB-O 3.49Å; S381-L452 PolarHBondContact OG-O 3.45Å | ||
| 382 | P | 91.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.9 | -36.1 | 177.3 | -25.8 | 34.6 | 0 | 0 | 0 | 113.3 | S386 P454 | P382-S386 VanDerWaalsContact O-CB 3.27Å; P382-S386 WeakPolarHBondContact O-CB 3.25Å; P382-S386 PolarHBondContact O-N 3.24Å; P382-P454 HydrophobicContact CG-CG 4.02Å |
| 383 | L | 91 | Very high | 93 | Very high | 118 Ų | 118 | 72.7 Ų | 72.7 | 62% | 0.618 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.9 | -50.6 | 178 | 177.1 | 65.8 | 0 | 0 | 0 | 111.3 | S381 S386 L387 L452 | S381-L383 PolarHBondContact O-N 2.85Å; L383-S386 WeakPolarHBondContact O-CB 3.32Å; L383-S386 PolarHBondContact O-N 3.09Å; L383-L387 PolarHBondContact O-N 3.13Å; L383-L452 HydrophobicContact CD2-CD2 4.49Å |
| 384 | L | 91.9 | Very high | 93 | Very high | 42 Ų | 42 | 74 Ų | 74 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | -178.4 | -62.8 | 177.9 | 0 | 0 | 0 | 111.7 | L377 V378 S381 S386 L387 A388 L452 | L377-L384 HydrophobicContact CD1-CD1 4.32Å; L377-L384 HydrophobicContact CD2-CD1 4.17Å; L377-L384 HydrophobicContact CG-CD1 3.71Å; V378-L384 HydrophobicContact CB-CB 4.41Å; V378-L384 HydrophobicContact CG1-CB 4.38Å; V378-L384 HydrophobicContact CG2-CB 4.32Å; V378-L384 HydrophobicContact CG2-CD1 4.36Å; S381-L384 PolarHBondContact O-N 3.24Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-L387 PolarHBondContact O-N 2.99Å; L384-A388 WeakPolarHBondContact O-CB 3.49Å; L384-A388 PolarHBondContact O-N 3.05Å; L384-L452 HydrophobicContact CD1-CD1 4.08Å |
| 385 | T | 92.6 | Very high | 93 | Very high | 44 Ų | 44 | 79.4 Ų | 79.4 | 27% | 0.27 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 171.1 | -70.5 | 0 | 0 | 0 | 0 | 111 | V378 S381 L387 A388 N389 | V378-T385 PolarHBondContact O-N 3.27Å; V378-T385 PolarHBondContact O-OG1 3.08Å; S381-T385 WeakPolarHBondContact O-CB 3.14Å; S381-T385 PolarHBondContact O-N 3.1Å; S381-T385 PolarHBondContact O-OG1 3.32Å; T385-L387 VanDerWaalsContact C-N 3.34Å; T385-L387 PolarHBondContact O-N 3.33Å; T385-A388 PolarHBondContact O-N 3.47Å; T385-N389 WeakPolarHBondContact CG2-ND2 3.47Å; T385-N389 PolarHBondContact O-N 3.22Å; T385-N389 PolarHBondContact O-ND2 3.27Å |
| 386 | S | 92.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 77.7 Ų | 77.7 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | P382 L383 L384 N389 S390 | P382-S386 VanDerWaalsContact O-CB 3.27Å; P382-S386 WeakPolarHBondContact O-CB 3.25Å; P382-S386 PolarHBondContact O-N 3.24Å; L383-S386 WeakPolarHBondContact O-CB 3.32Å; L383-S386 PolarHBondContact O-N 3.09Å; L384-S386 VanDerWaalsContact C-N 3.32Å; S386-N389 CarbonylContact O-C 2.93Å; S386-N389 PolarHBondContact O-N 3.22Å; S386-S390 WeakPolarHBondContact O-CB 3.35Å; S386-S390 PolarHBondContact O-N 2.97Å |
| 387 | L | 90.6 | Very high | 93 | Very high | 81 Ų | 81 | 79.3 Ų | 79.3 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.1 | -178.6 | 63.7 | 0 | 0 | 0 | 111.5 | L383 L384 T385 N389 S390 F392 | L383-L387 PolarHBondContact O-N 3.13Å; L384-L387 PolarHBondContact O-N 2.99Å; T385-L387 VanDerWaalsContact C-N 3.34Å; T385-L387 PolarHBondContact O-N 3.33Å; L387-N389 PolarHBondContact O-N 3.15Å; L387-S390 WeakPolarHBondContact O-CB 3.33Å; L387-S390 PolarHBondContact O-N 3.13Å; L387-S390 VanDerWaalsContact O-N 3.1Å; L387-S390 PolarHBondContact O-OG 3.01Å; L387-F392 HydrophobicContact CD1-CB 4.46Å |
| 388 | A | 89.9 | Confident | 93 | Very high | 32 Ų | 32 | 84.2 Ų | 84.2 | 26% | 0.264 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -27.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V378 L384 T385 Y393 | V378-A388 HydrophobicContact CG1-CB 4.17Å; L384-A388 WeakPolarHBondContact O-CB 3.49Å; L384-A388 PolarHBondContact O-N 3.05Å; T385-A388 PolarHBondContact O-N 3.47Å; A388-Y393 WeakPolarHBondContact O-CD2 3.36Å |
| 389 | N | 92.3 | Very high | 93.1 | Very high | 131 Ų | 131 | 84.7 Ų | 84.7 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.7 | 176.5 | -65.9 | -45.5 | 0 | 0 | 0 | 113.7 | T385 S386 L387 | T385-N389 WeakPolarHBondContact CG2-ND2 3.47Å; T385-N389 PolarHBondContact O-N 3.22Å; T385-N389 PolarHBondContact O-ND2 3.27Å; S386-N389 CarbonylContact O-C 2.93Å; S386-N389 PolarHBondContact O-N 3.22Å; L387-N389 PolarHBondContact O-N 3.15Å |
| 390 | S | 93.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 81.5 Ų | 81.5 | 22% | 0.217 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -83.5 | 165.4 | -177.2 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | S386 L387 F392 Y393 | S386-S390 WeakPolarHBondContact O-CB 3.35Å; S386-S390 PolarHBondContact O-N 2.97Å; L387-S390 WeakPolarHBondContact O-CB 3.33Å; L387-S390 PolarHBondContact O-N 3.13Å; L387-S390 VanDerWaalsContact O-N 3.1Å; L387-S390 PolarHBondContact O-OG 3.01Å; S390-F392 PolarHBondContact O-N 3.39Å; S390-F392 WeakPolarHBondContact OG-CB 3.23Å; S390-F392 PolarHBondContact OG-N 3.37Å; S390-Y393 VanDerWaalsContact O-CB 3.29Å; S390-Y393 WeakPolarHBondContact O-CB 3.33Å; S390-Y393 PolarHBondContact O-N 3.01Å |
| 391 | H | 93.8 | Very high | 93.4 | Very high | 194 Ų | 194 | 79.5 Ų | 79.5 | 90% | 0.898 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -13.9 | 170 | -59.9 | 94.6 | 0 | 0 | 0 | 113.6 | Y393 P394 | H391-Y393 VanDerWaalsContact C-N 3.31Å; H391-P394 VanDerWaalsContact O-CD 3.28Å; H391-P394 WeakPolarHBondContact O-CD 3.22Å |
| 392 | F | 92 | Very high | 93.4 | Very high | 150 Ų | 150 | 84.2 Ų | 84.2 | 66% | 0.658 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.6 | 174.2 | -65.2 | -77.4 | 0 | 0 | 0 | 113.4 | L387 S390 P394 F395 V396 | L387-F392 HydrophobicContact CD1-CB 4.46Å; S390-F392 PolarHBondContact O-N 3.39Å; S390-F392 WeakPolarHBondContact OG-CB 3.23Å; S390-F392 PolarHBondContact OG-N 3.37Å; F392-P394 VanDerWaalsContact C-N 3.33Å; F392-F395 WeakPolarHBondContact O-CB 3.39Å; F392-F395 PolarHBondContact O-N 2.97Å; F392-V396 PolarHBondContact O-N 3.38Å |
| 393 | Y | 93.1 | Very high | 93.6 | Very high | 87 Ų | 87 | 83 Ų | 83 | 34% | 0.341 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -54.4 | -37.5 | -178.6 | -176.4 | -108.3 | 0 | 0 | 0 | 114.5 | A388 S390 H391 F395 V396 Y397 | A388-Y393 WeakPolarHBondContact O-CD2 3.36Å; S390-Y393 VanDerWaalsContact O-CB 3.29Å; S390-Y393 WeakPolarHBondContact O-CB 3.33Å; S390-Y393 PolarHBondContact O-N 3.01Å; H391-Y393 VanDerWaalsContact C-N 3.31Å; Y393-F395 VanDerWaalsContact C-N 3.26Å; Y393-F395 PolarHBondContact O-N 3.36Å; Y393-V396 HydrophobicContact CD2-CB 4.32Å; Y393-V396 CarbonylContact O-C 3.51Å; Y393-V396 WeakPolarHBondContact O-CA 3.33Å; Y393-V396 WeakPolarHBondContact O-CB 3.44Å; Y393-V396 PolarHBondContact O-N 2.91Å; Y393-V396 VanDerWaalsContact O-N 3.07Å; Y393-Y397 WeakPolarHBondContact O-CB 3.5Å; Y393-Y397 PolarHBondContact O-N 2.98Å |
| 394 | P | 95.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 77.4 Ų | 77.4 | 53% | 0.526 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.9 | -36.8 | 176.1 | -27.2 | 36.6 | 0 | 0 | 0 | 113.8 | H391 F392 Y397 I398 | H391-P394 VanDerWaalsContact O-CD 3.28Å; H391-P394 WeakPolarHBondContact O-CD 3.22Å; F392-P394 VanDerWaalsContact C-N 3.33Å; P394-Y397 PolarHBondContact O-N 2.92Å; P394-I398 WeakPolarHBondContact O-CG1 3.46Å; P394-I398 PolarHBondContact O-N 2.9Å; P394-I398 VanDerWaalsContact O-N 3.13Å |
| 395 | F | 94.9 | Very high | 94.1 | Very high | 148 Ų | 148 | 76.3 Ų | 76.3 | 65% | 0.649 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.1 | -44.4 | 174.6 | 179.5 | -98 | 0 | 0 | 0 | 111.3 | F392 Y393 Y397 I398 V399 | F392-F395 WeakPolarHBondContact O-CB 3.39Å; F392-F395 PolarHBondContact O-N 2.97Å; Y393-F395 VanDerWaalsContact C-N 3.26Å; Y393-F395 PolarHBondContact O-N 3.36Å; F395-Y397 VanDerWaalsContact C-N 3.27Å; F395-Y397 PolarHBondContact O-N 3.38Å; F395-I398 PolarHBondContact O-N 2.84Å; F395-V399 HydrophobicContact CD1-CG2 4.45Å; F395-V399 HydrophobicContact CE1-CG2 4.03Å; F395-V399 HydrophobicContact CZ-CG2 4.16Å; F395-V399 WeakPolarHBondContact O-CG2 3.38Å; F395-V399 PolarHBondContact O-N 3.35Å; F395-V399 VanDerWaalsContact O-N 3.12Å |
| 396 | V | 93.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 75 Ų | 75 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | F392 Y393 I398 V399 Q400 | F392-V396 PolarHBondContact O-N 3.38Å; Y393-V396 HydrophobicContact CD2-CB 4.32Å; Y393-V396 CarbonylContact O-C 3.51Å; Y393-V396 WeakPolarHBondContact O-CA 3.33Å; Y393-V396 WeakPolarHBondContact O-CB 3.44Å; Y393-V396 PolarHBondContact O-N 2.91Å; Y393-V396 VanDerWaalsContact O-N 3.07Å; V396-I398 PolarHBondContact O-N 3.05Å; V396-V399 PolarHBondContact O-N 3.27Å; V396-Q400 HydrophobicContact CG1-CG 4.22Å; V396-Q400 WeakPolarHBondContact O-CB 3.39Å; V396-Q400 VanDerWaalsContact O-CG 3.29Å; V396-Q400 WeakPolarHBondContact O-CG 3.37Å; V396-Q400 PolarHBondContact O-N 2.69Å |
| 397 | Y | 95.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 71.8 Ų | 71.8 | 28% | 0.275 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.9 | 173.3 | -92.4 | 0 | 0 | 0 | 112.1 | T303 P305 Y393 P394 F395 V399 Q400 Q401 | T303-Y397 WeakPolarHBondContact O-CE2 3.4Å; T303-Y397 PolarHBondContact O-OH 3.04Å; P305-Y397 HydrophobicContact CB-CD2 4.16Å; P305-Y397 HydrophobicContact CB-CE2 4.2Å; P305-Y397 HydrophobicContact CG-CD2 4.02Å; P305-Y397 HydrophobicContact CG-CE2 4.03Å; Y393-Y397 WeakPolarHBondContact O-CB 3.5Å; Y393-Y397 PolarHBondContact O-N 2.98Å; P394-Y397 PolarHBondContact O-N 2.92Å; F395-Y397 VanDerWaalsContact C-N 3.27Å; F395-Y397 PolarHBondContact O-N 3.38Å; Y397-V399 VanDerWaalsContact C-N 3.34Å; Y397-V399 PolarHBondContact O-N 3.01Å; Y397-Q400 PolarHBondContact O-N 3.23Å; Y397-Q401 HydrophobicContact CD1-CG 4.08Å; Y397-Q401 HydrophobicContact CD2-CG 4.45Å; Y397-Q401 HydrophobicContact CE1-CG 3.58Å; Y397-Q401 HydrophobicContact CE2-CG 4Å; Y397-Q401 HydrophobicContact CG-CG 4.49Å; Y397-Q401 WeakPolarHBondContact O-CB 3.41Å; Y397-Q401 WeakPolarHBondContact O-CG 3.33Å; Y397-Q401 PolarHBondContact O-N 3.44Å; Y397-Q401 PolarHBondContact OH-NE2 2.74Å |
| 398 | I | 96.1 | Very high | 94.7 | Very high | 110 Ų | 110 | 69.5 Ų | 69.5 | 56% | 0.564 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 176.5 | -68.9 | 166.4 | 0 | 0 | 0 | 110.7 | P394 F395 V396 Q401 F402 | P394-I398 WeakPolarHBondContact O-CG1 3.46Å; P394-I398 PolarHBondContact O-N 2.9Å; P394-I398 VanDerWaalsContact O-N 3.13Å; F395-I398 PolarHBondContact O-N 2.84Å; V396-I398 PolarHBondContact O-N 3.05Å; I398-Q401 PolarHBondContact O-N 2.86Å; I398-F402 PolarHBondContact O-N 2.6Å |
| 399 | V | 95.1 | Very high | 95 | Very high | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | F395 V396 Y397 Q401 F402 I403 | F395-V399 HydrophobicContact CD1-CG2 4.45Å; F395-V399 HydrophobicContact CE1-CG2 4.03Å; F395-V399 HydrophobicContact CZ-CG2 4.16Å; F395-V399 WeakPolarHBondContact O-CG2 3.38Å; F395-V399 PolarHBondContact O-N 3.35Å; F395-V399 VanDerWaalsContact O-N 3.12Å; V396-V399 PolarHBondContact O-N 3.27Å; Y397-V399 VanDerWaalsContact C-N 3.34Å; Y397-V399 PolarHBondContact O-N 3.01Å; V399-Q401 PolarHBondContact O-N 3.18Å; V399-F402 PolarHBondContact O-N 2.97Å; V399-I403 HydrophobicContact CG1-CD1 3.92Å; V399-I403 WeakPolarHBondContact O-CG1 3.27Å; V399-I403 PolarHBondContact O-N 3.37Å |
| 400 | Q | 95.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.1 | -73.1 | -180 | -33.7 | 0 | 0 | 111.8 | P305 V396 Y397 F402 I403 H404 | P305-Q400 HydrophobicContact CB-CB 3.71Å; V396-Q400 HydrophobicContact CG1-CG 4.22Å; V396-Q400 WeakPolarHBondContact O-CB 3.39Å; V396-Q400 VanDerWaalsContact O-CG 3.29Å; V396-Q400 WeakPolarHBondContact O-CG 3.37Å; V396-Q400 PolarHBondContact O-N 2.69Å; Y397-Q400 PolarHBondContact O-N 3.23Å; Q400-F402 PolarHBondContact O-N 2.71Å; Q400-I403 PolarHBondContact O-N 3.4Å; Q400-H404 WeakPolarHBondContact O-CB 3.25Å; Q400-H404 PolarHBondContact O-N 3.46Å |
| 401 | Q | 95.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 61 Ų | 61 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.8 | -83.2 | -63.1 | -31.9 | 0 | 0 | 111.9 | T303 T304 Y397 I398 V399 H404 W405 | T303-Q401 VanDerWaalsContact C-NE2 3.32Å; T303-Q401 PolarHBondContact O-NE2 3.48Å; T304-Q401 PolarHBondContact O-NE2 3.44Å; Y397-Q401 HydrophobicContact CD1-CG 4.08Å; Y397-Q401 HydrophobicContact CD2-CG 4.45Å; Y397-Q401 HydrophobicContact CE1-CG 3.58Å; Y397-Q401 HydrophobicContact CE2-CG 4Å; Y397-Q401 HydrophobicContact CG-CG 4.49Å; Y397-Q401 WeakPolarHBondContact O-CB 3.41Å; Y397-Q401 WeakPolarHBondContact O-CG 3.33Å; Y397-Q401 PolarHBondContact O-N 3.44Å; Y397-Q401 PolarHBondContact OH-NE2 2.74Å; I398-Q401 PolarHBondContact O-N 2.86Å; V399-Q401 PolarHBondContact O-N 3.18Å; Q401-H404 PolarHBondContact O-N 2.98Å; Q401-W405 VanDerWaalsContact O-CD1 3.28Å; Q401-W405 PolarHBondContact O-N 3.34Å; Q401-W405 VanDerWaalsContact OE1-CD1 3.26Å |
| 402 | F | 95.8 | Very high | 95.6 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 177 | -177.4 | -90.6 | 0 | 0 | 0 | 111.7 | V249 L252 I398 V399 Q400 H404 W405 L406 | V249-F402 HydrophobicContact CG2-CE2 4.09Å; V249-F402 HydrophobicContact CG2-CZ 4.05Å; L252-F402 HydrophobicContact CD1-CD2 3.76Å; L252-F402 HydrophobicContact CD1-CE2 3.8Å; L252-F402 HydrophobicContact CD1-CG 4.31Å; L252-F402 HydrophobicContact CD1-CZ 4.36Å; I398-F402 PolarHBondContact O-N 2.6Å; V399-F402 PolarHBondContact O-N 2.97Å; Q400-F402 PolarHBondContact O-N 2.71Å; F402-H404 VanDerWaalsContact C-N 3.3Å; F402-H404 PolarHBondContact O-N 3.27Å; F402-W405 PolarHBondContact O-N 2.89Å; F402-L406 HydrophobicContact CE1-CD2 4.39Å; F402-L406 WeakPolarHBondContact O-CB 3.3Å; F402-L406 PolarHBondContact O-N 3Å |
| 403 | I | 96 | Very high | 95.8 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 29% | 0.292 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -44 | 176.5 | -69.4 | 171.6 | 0 | 0 | 0 | 110.5 | V399 Q400 F407 F437 | V399-I403 HydrophobicContact CG1-CD1 3.92Å; V399-I403 WeakPolarHBondContact O-CG1 3.27Å; V399-I403 PolarHBondContact O-N 3.37Å; Q400-I403 PolarHBondContact O-N 3.4Å; I403-F407 HydrophobicContact CG2-CD2 3.66Å; I403-F407 HydrophobicContact CG2-CE2 3.88Å; I403-F407 WeakPolarHBondContact O-CB 3.32Å; I403-F407 VanDerWaalsContact O-CD2 3.26Å; I403-F407 WeakPolarHBondContact O-CD2 3.13Å; I403-F407 PolarHBondContact O-N 2.79Å; I403-F437 HydrophobicContact CG2-CZ 4.45Å |
| 404 | H | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -54.4 | -180 | 179.3 | 64.3 | 0 | 0 | 0 | 111.1 | T304 F307 T310 Q400 Q401 F402 L406 F407 M408 | T304-H404 PolarHBondContact O-CD2 3.12Å; F307-H404 AromaticContact CD1-CE1 3.64Å; F307-H404 AromaticContact CD1-ND1 3.47Å; F307-H404 WeakPolarHBondContact CD1-ND1 3.41Å; F307-H404 AromaticContact CE1-ND1 3.49Å; F307-H404 WeakPolarHBondContact CE1-ND1 3.45Å; F307-H404 WeakPolarHBondContact CE1-O 3.38Å; F307-H404 AromaticContact CG-ND1 3.82Å; F307-H404 AromaticContact CZ-ND1 3.87Å; T310-H404 PolarHBondContact OG1-CE1 3.29Å; T310-H404 PolarHBondContact OG1-NE2 3.37Å; Q400-H404 WeakPolarHBondContact O-CB 3.25Å; Q400-H404 PolarHBondContact O-N 3.46Å; Q401-H404 PolarHBondContact O-N 2.98Å; F402-H404 VanDerWaalsContact C-N 3.3Å; F402-H404 PolarHBondContact O-N 3.27Å; H404-L406 PolarHBondContact O-N 3.48Å; H404-F407 CarbonylContact O-C 3.56Å; H404-F407 PolarHBondContact O-N 3.48Å; H404-M408 WeakPolarHBondContact O-CB 3.41Å; H404-M408 VanDerWaalsContact O-CG 3.29Å; H404-M408 WeakPolarHBondContact O-CG 3.32Å; H404-M408 PolarHBondContact O-N 2.98Å |
| 405 | W | 95.8 | Very high | 96 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.1 | -36.7 | -179.1 | -78.3 | 108.8 | 0 | 0 | 0 | 113.1 | L252 K256 F301 Q401 F402 F407 M408 G409 | L252-W405 HydrophobicContact CD1-CB 3.91Å; L252-W405 HydrophobicContact CD2-CB 3.8Å; L252-W405 HydrophobicContact CG-CB 3.56Å; K256-W405 HydrophobicContact CB-CE3 4.05Å; K256-W405 HydrophobicContact CB-CZ3 4.07Å; K256-W405 HydrophobicContact CG-CE3 4.26Å; K256-W405 HydrophobicContact CG-CH2 4.24Å; K256-W405 HydrophobicContact CG-CZ3 4Å; F301-W405 HydrophobicContact CD1-CH2 4.11Å; F301-W405 AromaticContact CE1-CH2 3.57Å; F301-W405 HydrophobicContact CE1-CH2 3.57Å; F301-W405 HydrophobicContact CE1-CZ3 4.19Å; F301-W405 AromaticContact CZ-CH2 3.88Å; F301-W405 HydrophobicContact CZ-CH2 3.88Å; F301-W405 HydrophobicContact CZ-CZ3 4.13Å; Q401-W405 VanDerWaalsContact O-CD1 3.28Å; Q401-W405 PolarHBondContact O-N 3.34Å; Q401-W405 VanDerWaalsContact OE1-CD1 3.26Å; F402-W405 PolarHBondContact O-N 2.89Å; W405-F407 VanDerWaalsContact C-N 3.35Å; W405-F407 PolarHBondContact O-N 3.17Å; W405-M408 HydrophobicContact CE3-CB 4.44Å; W405-M408 PolarHBondContact O-N 3.07Å; W405-G409 PolarHBondContact O-N 3.27Å |
| 406 | L | 96.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 174.1 | 175.9 | 59.3 | 0 | 0 | 0 | 111 | C248 L252 F402 H404 M408 G409 Y410 | C248-L406 HydrophobicContact CB-CD1 3.89Å; C248-L406 HydrophobicContact CB-CD2 4.43Å; C248-L406 WeakPolarHBondContact O-CD1 3.29Å; L252-L406 HydrophobicContact CB-CD1 4.48Å; L252-L406 HydrophobicContact CD1-CB 4.2Å; F402-L406 HydrophobicContact CE1-CD2 4.39Å; F402-L406 WeakPolarHBondContact O-CB 3.3Å; F402-L406 PolarHBondContact O-N 3Å; H404-L406 PolarHBondContact O-N 3.48Å; L406-M408 VanDerWaalsContact C-N 3.34Å; L406-G409 PolarHBondContact O-N 3.38Å; L406-Y410 WeakPolarHBondContact O-CB 3.15Å; L406-Y410 PolarHBondContact O-N 3.4Å |
| 407 | F | 96.8 | Very high | 96 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.048 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -88.9 | 1.2 | -177.8 | -62.6 | -50.2 | 0 | 0 | 0 | 114.4 | F307 I403 H404 W405 P411 G434 F437 F438 | F307-F407 HydrophobicContact CE1-CB 3.91Å; F307-F407 HydrophobicContact CZ-CB 3.72Å; I403-F407 HydrophobicContact CG2-CD2 3.66Å; I403-F407 HydrophobicContact CG2-CE2 3.88Å; I403-F407 WeakPolarHBondContact O-CB 3.32Å; I403-F407 VanDerWaalsContact O-CD2 3.26Å; I403-F407 WeakPolarHBondContact O-CD2 3.13Å; I403-F407 PolarHBondContact O-N 2.79Å; H404-F407 CarbonylContact O-C 3.56Å; H404-F407 PolarHBondContact O-N 3.48Å; W405-F407 VanDerWaalsContact C-N 3.35Å; W405-F407 PolarHBondContact O-N 3.17Å; F407-P411 WeakPolarHBondContact O-CD 3.34Å; F407-P411 WeakPolarHBondContact O-CG 3.46Å; F407-G434 VanDerWaalsContact CE1-CA 3.45Å; F407-F437 HydrophobicContact CD2-CD1 4.18Å; F407-F437 HydrophobicContact CD2-CE1 4.26Å; F407-F437 HydrophobicContact CE1-CB 4.47Å; F407-F437 HydrophobicContact CE2-CB 4.37Å; F407-F437 AromaticContact CE2-CD1 3.46Å; F407-F437 HydrophobicContact CE2-CD1 3.46Å; F407-F437 VanDerWaalsContact CE2-CD1 3.46Å; F407-F437 HydrophobicContact CE2-CD2 4.23Å; F407-F437 AromaticContact CE2-CE1 3.69Å; F407-F437 HydrophobicContact CE2-CE1 3.69Å; F407-F437 HydrophobicContact CE2-CE2 4.42Å; F407-F437 AromaticContact CE2-CG 3.76Å; F407-F437 HydrophobicContact CE2-CG 3.76Å; F407-F437 HydrophobicContact CE2-CZ 4.17Å; F407-F437 HydrophobicContact CZ-CB 3.8Å; F407-F437 AromaticContact CZ-CD1 3.78Å; F407-F437 HydrophobicContact CZ-CD1 3.78Å; F407-F437 HydrophobicContact CZ-CD2 4.25Å; F407-F437 HydrophobicContact CZ-CE1 4.43Å; F407-F437 AromaticContact CZ-CG 3.67Å; F407-F437 HydrophobicContact CZ-CG 3.67Å; F407-F438 HydrophobicContact CB-CE2 3.7Å; F407-F438 HydrophobicContact CB-CZ 3.76Å; F407-F438 AromaticContact CD1-CE2 3.72Å; F407-F438 HydrophobicContact CD1-CE2 3.72Å; F407-F438 HydrophobicContact CD1-CZ 4.43Å; F407-F438 AromaticContact CD2-CE2 3.73Å; F407-F438 HydrophobicContact CD2-CE2 3.73Å; F407-F438 AromaticContact CD2-CZ 3.64Å; F407-F438 HydrophobicContact CD2-CZ 3.64Å; F407-F438 HydrophobicContact CE1-CE2 4.27Å; F407-F438 HydrophobicContact CE2-CE2 4.25Å; F407-F438 HydrophobicContact CE2-CZ 4.33Å; F407-F438 AromaticContact CG-CE2 3.44Å; F407-F438 HydrophobicContact CG-CE2 3.44Å; F407-F438 VanDerWaalsContact CG-CE2 3.44Å; F407-F438 AromaticContact CG-CZ 3.7Å; F407-F438 HydrophobicContact CG-CZ 3.7Å |
| 408 | M | 95.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 17% | 0.167 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -81.4 | -44.3 | 156.2 | -80.1 | -61.7 | -52.2 | 0 | 0 | 110.4 | F307 T310 H404 W405 L406 L412 | F307-M408 HydrophobicContact CD1-CG 4.21Å; F307-M408 HydrophobicContact CD1-SD 3.95Å; F307-M408 HydrophobicContact CE1-CG 4.14Å; F307-M408 HydrophobicContact CE1-SD 4.41Å; T310-M408 HydrophobicContact CG2-CE 3.36Å; T310-M408 HydrophobicContact CG2-SD 3.52Å; T310-M408 VanDerWaalsContact CG2-SD 3.52Å; H404-M408 WeakPolarHBondContact O-CB 3.41Å; H404-M408 VanDerWaalsContact O-CG 3.29Å; H404-M408 WeakPolarHBondContact O-CG 3.32Å; H404-M408 PolarHBondContact O-N 2.98Å; W405-M408 HydrophobicContact CE3-CB 4.44Å; W405-M408 PolarHBondContact O-N 3.07Å; L406-M408 VanDerWaalsContact C-N 3.34Å; M408-L412 VanDerWaalsContact O-CD1 3.29Å; M408-L412 WeakPolarHBondContact O-CD1 3.09Å; M408-L412 VanDerWaalsContact O-CG 3.25Å; M408-L412 WeakPolarHBondContact O-CG 3.39Å |
| 409 | G | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | W405 L406 L412 V413 | W405-G409 PolarHBondContact O-N 3.27Å; L406-G409 PolarHBondContact O-N 3.38Å; G409-L412 WeakPolarHBondContact O-CB 3.47Å; G409-L412 PolarHBondContact O-N 2.78Å; G409-L412 VanDerWaalsContact O-N 3.1Å; G409-V413 PolarHBondContact O-N 3.31Å |
| 410 | Y | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.7 | -53.8 | -175.1 | -177.2 | -88.6 | 0 | 0 | 0 | 113.4 | M363 L406 L412 V413 P414 Y427 V430 F432 H435 | M363-Y410 HydrophobicContact CE-CD1 4.13Å; M363-Y410 HydrophobicContact CE-CE1 4.04Å; L406-Y410 WeakPolarHBondContact O-CB 3.15Å; L406-Y410 PolarHBondContact O-N 3.4Å; Y410-L412 PolarHBondContact O-N 3.24Å; Y410-V413 WeakPolarHBondContact O-CB 3.18Å; Y410-V413 PolarHBondContact O-N 3.39Å; Y410-P414 WeakPolarHBondContact O-CD 3.06Å; Y410-Y427 HydrophobicContact CD1-CE1 4.16Å; Y410-Y427 AromaticContact CD1-CZ 3.98Å; Y410-Y427 HydrophobicContact CD2-CD1 4.5Å; Y410-Y427 AromaticContact CD2-CE1 3.99Å; Y410-Y427 HydrophobicContact CD2-CE1 3.99Å; Y410-Y427 AromaticContact CE1-CE1 3.82Å; Y410-Y427 HydrophobicContact CE1-CE1 3.82Å; Y410-Y427 HydrophobicContact CE1-CE2 4.03Å; Y410-Y427 AromaticContact CE1-CZ 3.49Å; Y410-Y427 VanDerWaalsContact CE1-CZ 3.49Å; Y410-Y427 WeakPolarHBondContact CE1-OH 3.33Å; Y410-Y427 AromaticContact CE2-CD1 3.81Å; Y410-Y427 HydrophobicContact CE2-CD1 3.81Å; Y410-Y427 AromaticContact CE2-CE1 3.61Å; Y410-Y427 HydrophobicContact CE2-CE1 3.61Å; Y410-Y427 HydrophobicContact CE2-CG 4.47Å; Y410-Y427 HydrophobicContact CG-CE1 4.23Å; Y410-Y427 AromaticContact CZ-CD1 3.84Å; Y410-Y427 AromaticContact CZ-CE1 3.51Å; Y410-Y427 AromaticContact CZ-CE2 3.97Å; Y410-Y427 AromaticContact CZ-CZ 3.57Å; Y410-Y427 PolarHBondContact O-OH 3.13Å; Y410-V430 HydrophobicContact CD2-CG2 4.44Å; Y410-V430 HydrophobicContact CE2-CG2 3.82Å; Y410-F432 WeakPolarHBondContact OH-CA 3.36Å; Y410-H435 AromaticContact CE1-CE1 3.7Å; Y410-H435 AromaticContact CE1-ND1 3.52Å; Y410-H435 AromaticContact CZ-ND1 3.59Å; Y410-H435 PolarHBondContact OH-CE1 3.02Å; Y410-H435 PolarHBondContact OH-ND1 3.22Å |
| 411 | P | 96.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 8% | 0.078 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -21.4 | 175 | -20.5 | 34.2 | 0 | 0 | 0 | 114.2 | C360 M363 I367 F407 V413 P414 | C360-P411 WeakPolarHBondContact CB-O 3.2Å; C360-P411 PolarHBondContact SG-O 3.13Å; M363-P411 HydrophobicContact CB-CB 3.96Å; M363-P411 HydrophobicContact CB-CG 3.86Å; I367-P411 HydrophobicContact CD1-CG 3.64Å; F407-P411 WeakPolarHBondContact O-CD 3.34Å; F407-P411 WeakPolarHBondContact O-CG 3.46Å; P411-V413 VanDerWaalsContact C-N 3.33Å; P411-P414 VanDerWaalsContact O-CD 3.27Å; P411-P414 WeakPolarHBondContact O-CD 3.29Å; P411-P414 VanDerWaalsContact O-CG 3.25Å; P411-P414 WeakPolarHBondContact O-CG 3.24Å |
| 412 | L | 96.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 12% | 0.115 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.5 | -25.3 | 176.7 | -69.8 | 169.7 | 0 | 0 | 0 | 112.6 | W254 L259 M408 G409 Y410 F415 C416 | W254-L412 HydrophobicContact CH2-CB 4.25Å; W254-L412 HydrophobicContact CZ3-CB 4Å; L259-L412 HydrophobicContact CD1-CD1 3.64Å; L259-L412 HydrophobicContact CD2-CD1 4.17Å; L259-L412 HydrophobicContact CD2-CD2 4.29Å; L259-L412 HydrophobicContact CG-CD1 3.86Å; M408-L412 VanDerWaalsContact O-CD1 3.29Å; M408-L412 WeakPolarHBondContact O-CD1 3.09Å; M408-L412 VanDerWaalsContact O-CG 3.25Å; M408-L412 WeakPolarHBondContact O-CG 3.39Å; G409-L412 WeakPolarHBondContact O-CB 3.47Å; G409-L412 PolarHBondContact O-N 2.78Å; G409-L412 VanDerWaalsContact O-N 3.1Å; Y410-L412 PolarHBondContact O-N 3.24Å; L412-F415 HydrophobicContact CD2-CB 4.45Å; L412-F415 WeakPolarHBondContact O-CB 3.45Å; L412-F415 PolarHBondContact O-N 2.99Å; L412-F415 VanDerWaalsContact O-N 3.15Å; L412-C416 WeakPolarHBondContact O-CB 3.34Å; L412-C416 PolarHBondContact O-N 3Å |
| 413 | V | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -52.1 | -59.1 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | I251 W254 G409 Y410 P411 F415 C416 L417 W423 V426 Y427 | I251-V413 HydrophobicContact CD1-CG2 4.34Å; I251-V413 HydrophobicContact CG1-CG2 4.23Å; I251-V413 HydrophobicContact CG2-CG2 4.02Å; W254-V413 HydrophobicContact CE3-CG2 4.23Å; W254-V413 HydrophobicContact CH2-CG2 4.28Å; W254-V413 HydrophobicContact CZ3-CB 4.35Å; W254-V413 HydrophobicContact CZ3-CG2 3.65Å; G409-V413 PolarHBondContact O-N 3.31Å; Y410-V413 WeakPolarHBondContact O-CB 3.18Å; Y410-V413 PolarHBondContact O-N 3.39Å; P411-V413 VanDerWaalsContact C-N 3.33Å; V413-F415 VanDerWaalsContact C-N 3.31Å; V413-F415 PolarHBondContact O-N 2.83Å; V413-C416 PolarHBondContact O-N 3.3Å; V413-L417 HydrophobicContact CG1-CD1 3.74Å; V413-L417 VanDerWaalsContact O-CB 3.32Å; V413-L417 WeakPolarHBondContact O-CB 3.21Å; V413-L417 VanDerWaalsContact O-CG 3.29Å; V413-L417 WeakPolarHBondContact O-CG 3.45Å; V413-L417 PolarHBondContact O-N 3.33Å; V413-W423 HydrophobicContact CG1-CB 4.41Å; V413-V426 HydrophobicContact CG1-CB 3.79Å; V413-V426 HydrophobicContact CG1-CG1 3.73Å; V413-V426 HydrophobicContact CG1-CG2 4.14Å; V413-V426 HydrophobicContact CG2-CG1 4.48Å; V413-Y427 HydrophobicContact CB-CE1 4Å; V413-Y427 HydrophobicContact CG1-CD1 4.33Å; V413-Y427 HydrophobicContact CG1-CE1 4.13Å |
| 414 | P | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65 | -35.3 | 176.5 | 27.1 | -36.2 | 0 | 0 | 0 | 112.5 | G356 L359 Y410 P411 C416 F418 W423 Y427 | G356-P414 WeakPolarHBondContact CA-O 3.42Å; L359-P414 HydrophobicContact CB-CB 4Å; L359-P414 HydrophobicContact CB-CG 4.06Å; L359-P414 HydrophobicContact CD2-CB 3.84Å; L359-P414 HydrophobicContact CD2-CG 3.97Å; L359-P414 HydrophobicContact CG-CB 4.25Å; L359-P414 HydrophobicContact CG-CG 4.04Å; Y410-P414 WeakPolarHBondContact O-CD 3.06Å; P411-P414 VanDerWaalsContact O-CD 3.27Å; P411-P414 WeakPolarHBondContact O-CD 3.29Å; P411-P414 VanDerWaalsContact O-CG 3.25Å; P411-P414 WeakPolarHBondContact O-CG 3.24Å; P414-C416 VanDerWaalsContact C-N 3.3Å; P414-C416 PolarHBondContact O-N 3.05Å; P414-F418 PolarHBondContact O-N 3.09Å; P414-W423 HydrophobicContact CB-CB 3.79Å; P414-W423 HydrophobicContact CB-CD2 4.11Å; P414-W423 HydrophobicContact CB-CG 3.62Å; P414-Y427 WeakPolarHBondContact CD-OH 3.38Å; P414-Y427 HydrophobicContact CG-CE2 4.33Å; P414-Y427 VanDerWaalsContact CG-OH 3.27Å; P414-Y427 WeakPolarHBondContact CG-OH 3.44Å |
| 415 | F | 95.1 | Very high | 95.6 | Very high | 32 Ų | 32 | 28.9 Ų | 28.9 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -41.5 | 177.5 | -172.3 | -84.2 | 0 | 0 | 0 | 112.6 | H351 Y357 C360 F361 L412 V413 F418 | H351-F415 AromaticContact CE1-CE2 3.86Å; H351-F415 AromaticContact CE1-CZ 3.64Å; H351-F415 AromaticContact ND1-CE2 3.7Å; H351-F415 AromaticContact ND1-CZ 3.54Å; Y357-F415 AromaticContact CD1-CD2 3.53Å; Y357-F415 HydrophobicContact CD1-CD2 3.53Å; Y357-F415 AromaticContact CD1-CE2 3.58Å; Y357-F415 HydrophobicContact CD1-CE2 3.58Å; Y357-F415 HydrophobicContact CD1-CG 4.15Å; Y357-F415 HydrophobicContact CD1-CZ 4.23Å; Y357-F415 HydrophobicContact CE1-CD1 4.37Å; Y357-F415 AromaticContact CE1-CD2 3.89Å; Y357-F415 HydrophobicContact CE1-CD2 3.89Å; Y357-F415 HydrophobicContact CE1-CE1 4.21Å; Y357-F415 AromaticContact CE1-CE2 3.71Å; Y357-F415 HydrophobicContact CE1-CE2 3.71Å; Y357-F415 HydrophobicContact CE1-CG 4.21Å; Y357-F415 AromaticContact CE1-CZ 3.88Å; Y357-F415 HydrophobicContact CE1-CZ 3.88Å; C360-F415 HydrophobicContact CB-CB 3.93Å; C360-F415 HydrophobicContact CB-CD2 4.03Å; C360-F415 HydrophobicContact CB-CG 4.49Å; F361-F415 HydrophobicContact CE2-CE2 4.37Å; F361-F415 HydrophobicContact CZ-CE2 4.43Å; L412-F415 HydrophobicContact CD2-CB 4.45Å; L412-F415 WeakPolarHBondContact O-CB 3.45Å; L412-F415 PolarHBondContact O-N 2.99Å; L412-F415 VanDerWaalsContact O-N 3.15Å; V413-F415 VanDerWaalsContact C-N 3.31Å; V413-F415 PolarHBondContact O-N 2.83Å; F415-F418 VanDerWaalsContact O-CD1 3.29Å; F415-F418 WeakPolarHBondContact O-CD1 3.48Å; F415-F418 WeakPolarHBondContact O-CE1 3.46Å |
| 416 | C | 94 | Very high | 95.7 | Very high | 20 Ų | 20 | 28 Ų | 28 | 14% | 0.135 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -89 | -27.7 | -176.9 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | W254 L412 V413 P414 | W254-C416 HydrophobicContact CH2-CB 3.8Å; W254-C416 HydrophobicContact CZ2-CB 3.79Å; L412-C416 WeakPolarHBondContact O-CB 3.34Å; L412-C416 PolarHBondContact O-N 3Å; V413-C416 PolarHBondContact O-N 3.3Å; P414-C416 VanDerWaalsContact C-N 3.3Å; P414-C416 PolarHBondContact O-N 3.05Å |
| 417 | L | 94.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -88.8 | -11 | -179.8 | -64.4 | -179.3 | 0 | 0 | 0 | 113.6 | D231 L235 V413 T419 K422 W423 V426 | D231-L417 HydrophobicContact CB-CD2 4.41Å; L235-L417 HydrophobicContact CD1-CD2 4.39Å; L235-L417 HydrophobicContact CD2-CD1 4.06Å; V413-L417 HydrophobicContact CG1-CD1 3.74Å; V413-L417 VanDerWaalsContact O-CB 3.32Å; V413-L417 WeakPolarHBondContact O-CB 3.21Å; V413-L417 VanDerWaalsContact O-CG 3.29Å; V413-L417 WeakPolarHBondContact O-CG 3.45Å; V413-L417 PolarHBondContact O-N 3.33Å; L417-T419 PolarHBondContact O-N 3.17Å; L417-K422 HydrophobicContact CB-CB 3.97Å; L417-K422 HydrophobicContact CD1-CB 4.43Å; L417-W423 HydrophobicContact CB-CB 4.31Å; L417-W423 HydrophobicContact CD1-CB 4.41Å; L417-V426 HydrophobicContact CD1-CG2 3.67Å |
| 418 | F | 91.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | trans | 62.7 | -57.7 | 174.2 | -53.2 | -49.4 | 0 | 0 | 0 | 116.8 | Y115 H354 S355 G356 Y357 P414 F415 | Y115-F418 HydrophobicContact CD2-CZ 4.08Å; H354-F418 HydrophobicContact CB-CB 3.92Å; H354-F418 HydrophobicContact CB-CD1 4.48Å; H354-F418 WeakPolarHBondContact CB-O 3.47Å; S355-F418 PolarHBondContact N-O 2.89Å; S355-F418 PolarHBondContact OG-O 3.46Å; G356-F418 PolarHBondContact N-O 3.5Å; Y357-F418 HydrophobicContact CE1-CD1 4.21Å; Y357-F418 HydrophobicContact CE1-CE1 4.09Å; Y357-F418 AromaticContact CZ-CD1 3.94Å; Y357-F418 AromaticContact CZ-CE1 3.86Å; Y357-F418 VanDerWaalsContact OH-CE1 3.25Å; Y357-F418 WeakPolarHBondContact OH-CE1 3.39Å; P414-F418 PolarHBondContact O-N 3.09Å; F415-F418 VanDerWaalsContact O-CD1 3.29Å; F415-F418 WeakPolarHBondContact O-CD1 3.48Å; F415-F418 WeakPolarHBondContact O-CE1 3.46Å | ||
| 419 | T | 91.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 28 Ų | 28 | 13% | 0.129 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -95.6 | 148.2 | -167.9 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | L417 D421 K422 W423 | L417-T419 PolarHBondContact O-N 3.17Å; T419-D421 WeakPolarHBondContact CB-OD1 3.11Å; T419-D421 PolarHBondContact O-N 3.07Å; T419-D421 PolarHBondContact OG1-OD1 3.12Å; T419-K422 PolarHBondContact O-N 3.02Å; T419-K422 WeakPolarHBondContact OG1-CD 3.43Å; T419-K422 WeakPolarHBondContact OG1-CG 3.45Å; T419-W423 VanDerWaalsContact C-CD1 3.46Å; T419-W423 PolarHBondContact O-N 3.31Å; T419-W423 PolarHBondContact O-NE1 3.04Å |
| 420 | Y | 94 | Very high | 96 | Very high | 135 Ų | 135 | 28 Ų | 28 | 53% | 0.529 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -56.6 | -46.8 | -173.5 | 166.3 | -93.4 | 0 | 0 | 0 | 112.8 | S355 K422 W423 L424 | S355-Y420 PolarHBondContact OG-N 2.9Å; Y420-K422 VanDerWaalsContact C-N 3.32Å; Y420-K422 PolarHBondContact O-N 3.3Å; Y420-W423 AromaticContact CD2-CH2 3.35Å; Y420-W423 HydrophobicContact CD2-CH2 3.35Å; Y420-W423 AromaticContact CD2-CZ2 3.37Å; Y420-W423 HydrophobicContact CD2-CZ2 3.37Å; Y420-W423 HydrophobicContact CD2-CZ3 4.22Å; Y420-W423 AromaticContact CE2-CH2 3.74Å; Y420-W423 HydrophobicContact CE2-CH2 3.74Å; Y420-W423 HydrophobicContact CE2-CZ2 4.23Å; Y420-W423 HydrophobicContact CE2-CZ3 4.4Å; Y420-W423 HydrophobicContact CG-CH2 4.43Å; Y420-W423 HydrophobicContact CG-CZ2 4.13Å; Y420-L424 HydrophobicContact CE1-CD2 3.69Å; Y420-L424 HydrophobicContact CE2-CB 4.4Å; Y420-L424 HydrophobicContact CE2-CD1 3.97Å; Y420-L424 HydrophobicContact CE2-CD2 4.05Å; Y420-L424 HydrophobicContact CE2-CG 4.37Å; Y420-L424 WeakPolarHBondContact O-CB 3.5Å; Y420-L424 PolarHBondContact O-N 3.18Å; Y420-L424 WeakPolarHBondContact OH-CD2 3.14Å |
| 421 | D | 94.9 | Very high | 96 | Very high | 98 Ų | 98 | 34.9 Ų | 34.9 | 52% | 0.524 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.4 | -43.5 | 179 | 58.8 | -61.1 | 0 | 0 | 0 | 112.3 | T419 K425 | T419-D421 WeakPolarHBondContact CB-OD1 3.11Å; T419-D421 PolarHBondContact O-N 3.07Å; T419-D421 PolarHBondContact OG1-OD1 3.12Å; D421-K425 PolarHBondContact O-N 2.84Å |
| 422 | K | 95.8 | Very high | 96 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 14% | 0.143 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.3 | -56.4 | -178.7 | -66.4 | -178.6 | -171.8 | -176.5 | 0 | 111.6 | E113 L235 L417 T419 Y420 L424 K425 V426 | E113-K422 PolarHBondContact O-NZ 2.76Å; E113-K422 IonicContact OE2-NZ 3.06Å; L235-K422 HydrophobicContact CD1-CB 4.49Å; L235-K422 HydrophobicContact CD1-CD 4.25Å; L235-K422 HydrophobicContact CD1-CG 4.24Å; L235-K422 HydrophobicContact CD2-CB 3.98Å; L235-K422 HydrophobicContact CD2-CG 4.45Å; L235-K422 WeakPolarHBondContact CD2-O 3.5Å; L417-K422 HydrophobicContact CB-CB 3.97Å; L417-K422 HydrophobicContact CD1-CB 4.43Å; T419-K422 PolarHBondContact O-N 3.02Å; T419-K422 WeakPolarHBondContact OG1-CD 3.43Å; T419-K422 WeakPolarHBondContact OG1-CG 3.45Å; Y420-K422 VanDerWaalsContact C-N 3.32Å; Y420-K422 PolarHBondContact O-N 3.3Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.39Å; K422-K425 PolarHBondContact O-N 3.4Å; K422-V426 PolarHBondContact O-N 2.93Å |
| 423 | W | 96.6 | Very high | 96.1 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.4 | -27 | -175.3 | 63.2 | -112.6 | 0 | 0 | 0 | 113.1 | S355 L359 V413 P414 L417 T419 Y420 V426 Y427 | S355-W423 PolarHBondContact OG-NE1 3.2Å; L359-W423 HydrophobicContact CD2-CD2 3.72Å; L359-W423 HydrophobicContact CD2-CE3 3.4Å; L359-W423 VanDerWaalsContact CD2-CE3 3.4Å; L359-W423 HydrophobicContact CD2-CH2 3.61Å; L359-W423 HydrophobicContact CD2-CZ2 3.83Å; L359-W423 HydrophobicContact CD2-CZ3 3.38Å; V413-W423 HydrophobicContact CG1-CB 4.41Å; P414-W423 HydrophobicContact CB-CB 3.79Å; P414-W423 HydrophobicContact CB-CD2 4.11Å; P414-W423 HydrophobicContact CB-CG 3.62Å; L417-W423 HydrophobicContact CB-CB 4.31Å; L417-W423 HydrophobicContact CD1-CB 4.41Å; T419-W423 VanDerWaalsContact C-CD1 3.46Å; T419-W423 PolarHBondContact O-N 3.31Å; T419-W423 PolarHBondContact O-NE1 3.04Å; Y420-W423 AromaticContact CD2-CH2 3.35Å; Y420-W423 HydrophobicContact CD2-CH2 3.35Å; Y420-W423 AromaticContact CD2-CZ2 3.37Å; Y420-W423 HydrophobicContact CD2-CZ2 3.37Å; Y420-W423 HydrophobicContact CD2-CZ3 4.22Å; Y420-W423 AromaticContact CE2-CH2 3.74Å; Y420-W423 HydrophobicContact CE2-CH2 3.74Å; Y420-W423 HydrophobicContact CE2-CZ2 4.23Å; Y420-W423 HydrophobicContact CE2-CZ3 4.4Å; Y420-W423 HydrophobicContact CG-CH2 4.43Å; Y420-W423 HydrophobicContact CG-CZ2 4.13Å; W423-V426 PolarHBondContact O-N 2.63Å; W423-Y427 AromaticContact CE3-CD2 3.96Å; W423-Y427 HydrophobicContact CE3-CD2 3.96Å; W423-Y427 HydrophobicContact CE3-CE2 4.39Å; W423-Y427 HydrophobicContact CZ3-CD2 4.27Å; W423-Y427 WeakPolarHBondContact O-CB 3.42Å; W423-Y427 PolarHBondContact O-N 3.2Å |
| 424 | L | 97.4 | Very high | 96 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -39 | 176.1 | -173.5 | 79.5 | 0 | 0 | 0 | 111.4 | Y420 K422 V426 Y427 S428 F432 | Y420-L424 HydrophobicContact CE1-CD2 3.69Å; Y420-L424 HydrophobicContact CE2-CB 4.4Å; Y420-L424 HydrophobicContact CE2-CD1 3.97Å; Y420-L424 HydrophobicContact CE2-CD2 4.05Å; Y420-L424 HydrophobicContact CE2-CG 4.37Å; Y420-L424 WeakPolarHBondContact O-CB 3.5Å; Y420-L424 PolarHBondContact O-N 3.18Å; Y420-L424 WeakPolarHBondContact OH-CD2 3.14Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.39Å; L424-V426 VanDerWaalsContact C-N 3.32Å; L424-V426 PolarHBondContact O-N 3.29Å; L424-Y427 PolarHBondContact O-N 3.07Å; L424-S428 VanDerWaalsContact O-CB 3.29Å; L424-S428 WeakPolarHBondContact O-CB 3.31Å; L424-S428 PolarHBondContact O-N 2.96Å; L424-S428 PolarHBondContact O-OG 2.76Å; L424-F432 HydrophobicContact CD1-CE1 4.25Å; L424-F432 HydrophobicContact CD1-CZ 3.74Å |
| 425 | K | 97.2 | Very high | 96.1 | Very high | 71 Ų | 71 | 40.5 Ų | 40.5 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56 | -50.1 | 174.3 | -174.9 | 176.8 | -178.3 | 179.8 | 0 | 110.2 | L235 D237 E240 D421 K422 S428 S429 | L235-K425 WeakPolarHBondContact O-CE 3.35Å; L235-K425 PolarHBondContact O-NZ 3.02Å; D237-K425 IonicContact OD1-NZ 2.6Å; D237-K425 PolarHBondContact OD1-NZ 3.35Å; E240-K425 WeakPolarHBondContact OE2-CE 3.45Å; D421-K425 PolarHBondContact O-N 2.84Å; K422-K425 PolarHBondContact O-N 3.4Å; K425-S428 PolarHBondContact O-N 3.23Å; K425-S429 PolarHBondContact O-N 3.46Å |
| 426 | V | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 179.1 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | L234 L235 Y239 I251 V413 L417 K422 W423 L424 S428 S429 V430 | L234-V426 HydrophobicContact CB-CG1 4.48Å; L234-V426 HydrophobicContact CB-CG2 3.88Å; L234-V426 HydrophobicContact CD2-CG1 4.33Å; L235-V426 HydrophobicContact CD2-CG2 3.99Å; Y239-V426 HydrophobicContact CE1-CG1 4.26Å; I251-V426 HydrophobicContact CD1-CG1 4.22Å; V413-V426 HydrophobicContact CG1-CB 3.79Å; V413-V426 HydrophobicContact CG1-CG1 3.73Å; V413-V426 HydrophobicContact CG1-CG2 4.14Å; V413-V426 HydrophobicContact CG2-CG1 4.48Å; L417-V426 HydrophobicContact CD1-CG2 3.67Å; K422-V426 PolarHBondContact O-N 2.93Å; W423-V426 PolarHBondContact O-N 2.63Å; L424-V426 VanDerWaalsContact C-N 3.32Å; L424-V426 PolarHBondContact O-N 3.29Å; V426-S428 VanDerWaalsContact C-N 3.33Å; V426-S428 PolarHBondContact O-N 3.24Å; V426-S429 WeakPolarHBondContact O-CB 3.34Å; V426-S429 PolarHBondContact O-N 3.39Å; V426-S429 PolarHBondContact O-OG 2.61Å; V426-V430 PolarHBondContact O-N 3.35Å |
| 427 | Y | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -36.6 | -179.8 | -83.4 | 8.8 | 0 | 0 | 0 | 113.6 | L359 Y410 V413 P414 W423 L424 S429 V430 Y431 F432 H435 | L359-Y427 HydrophobicContact CD2-CD2 3.95Å; L359-Y427 HydrophobicContact CD2-CE2 3.34Å; L359-Y427 HydrophobicContact CG-CE2 3.99Å; Y410-Y427 HydrophobicContact CD1-CE1 4.16Å; Y410-Y427 AromaticContact CD1-CZ 3.98Å; Y410-Y427 HydrophobicContact CD2-CD1 4.5Å; Y410-Y427 AromaticContact CD2-CE1 3.99Å; Y410-Y427 HydrophobicContact CD2-CE1 3.99Å; Y410-Y427 AromaticContact CE1-CE1 3.82Å; Y410-Y427 HydrophobicContact CE1-CE1 3.82Å; Y410-Y427 HydrophobicContact CE1-CE2 4.03Å; Y410-Y427 AromaticContact CE1-CZ 3.49Å; Y410-Y427 VanDerWaalsContact CE1-CZ 3.49Å; Y410-Y427 WeakPolarHBondContact CE1-OH 3.33Å; Y410-Y427 AromaticContact CE2-CD1 3.81Å; Y410-Y427 HydrophobicContact CE2-CD1 3.81Å; Y410-Y427 AromaticContact CE2-CE1 3.61Å; Y410-Y427 HydrophobicContact CE2-CE1 3.61Å; Y410-Y427 HydrophobicContact CE2-CG 4.47Å; Y410-Y427 HydrophobicContact CG-CE1 4.23Å; Y410-Y427 AromaticContact CZ-CD1 3.84Å; Y410-Y427 AromaticContact CZ-CE1 3.51Å; Y410-Y427 AromaticContact CZ-CE2 3.97Å; Y410-Y427 AromaticContact CZ-CZ 3.57Å; Y410-Y427 PolarHBondContact O-OH 3.13Å; V413-Y427 HydrophobicContact CB-CE1 4Å; V413-Y427 HydrophobicContact CG1-CD1 4.33Å; V413-Y427 HydrophobicContact CG1-CE1 4.13Å; P414-Y427 WeakPolarHBondContact CD-OH 3.38Å; P414-Y427 HydrophobicContact CG-CE2 4.33Å; P414-Y427 VanDerWaalsContact CG-OH 3.27Å; P414-Y427 WeakPolarHBondContact CG-OH 3.44Å; W423-Y427 AromaticContact CE3-CD2 3.96Å; W423-Y427 HydrophobicContact CE3-CD2 3.96Å; W423-Y427 HydrophobicContact CE3-CE2 4.39Å; W423-Y427 HydrophobicContact CZ3-CD2 4.27Å; W423-Y427 WeakPolarHBondContact O-CB 3.42Å; W423-Y427 PolarHBondContact O-N 3.2Å; L424-Y427 PolarHBondContact O-N 3.07Å; Y427-S429 VanDerWaalsContact C-N 3.35Å; Y427-V430 CarbonylContact O-C 3.22Å; Y427-V430 PolarHBondContact O-N 3.38Å; Y427-Y431 PolarHBondContact O-N 3.2Å; Y427-Y431 VanDerWaalsContact O-N 3.12Å; Y427-F432 HydrophobicContact CD2-CD1 4.13Å; Y427-F432 HydrophobicContact CD2-CE1 4.07Å; Y427-F432 HydrophobicContact CG-CD1 4.47Å; Y427-F432 HydrophobicContact CG-CE1 4.44Å; Y427-F432 PolarHBondContact O-N 3.35Å; Y427-H435 AromaticContact CD2-CE1 3.88Å; Y427-H435 AromaticContact CE2-CE1 3.41Å; Y427-H435 VanDerWaalsContact CE2-CE1 3.41Å; Y427-H435 WeakPolarHBondContact CE2-CE1 3.38Å |
| 428 | S | 97.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | L424 K425 V426 V430 Y431 | L424-S428 VanDerWaalsContact O-CB 3.29Å; L424-S428 WeakPolarHBondContact O-CB 3.31Å; L424-S428 PolarHBondContact O-N 2.96Å; L424-S428 PolarHBondContact O-OG 2.76Å; K425-S428 PolarHBondContact O-N 3.23Å; V426-S428 VanDerWaalsContact C-N 3.33Å; V426-S428 PolarHBondContact O-N 3.24Å; S428-V430 VanDerWaalsContact C-N 3.26Å; S428-V430 PolarHBondContact O-N 2.92Å; S428-Y431 PolarHBondContact O-N 2.87Å |
| 429 | S | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -36.4 | 176.3 | 82.3 | 0 | 0 | 0 | 0 | 112.3 | Y239 R247 K425 V426 Y427 Y431 | Y239-S429 WeakPolarHBondContact CE1-OG 3.43Å; R247-S429 PolarHBondContact NH1-O 3.5Å; R247-S429 PolarHBondContact NH2-O 3.14Å; K425-S429 PolarHBondContact O-N 3.46Å; V426-S429 WeakPolarHBondContact O-CB 3.34Å; V426-S429 PolarHBondContact O-N 3.39Å; V426-S429 PolarHBondContact O-OG 2.61Å; Y427-S429 VanDerWaalsContact C-N 3.35Å; S429-Y431 VanDerWaalsContact C-N 3.34Å |
| 430 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 20.2 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | F244 R247 I251 Y410 V426 Y427 S428 F432 C433 | F244-V430 HydrophobicContact CE2-CB 4.25Å; R247-V430 HydrophobicContact CB-CG1 3.82Å; I251-V430 HydrophobicContact CD1-CG1 3.85Å; I251-V430 HydrophobicContact CD1-CG2 4.27Å; Y410-V430 HydrophobicContact CD2-CG2 4.44Å; Y410-V430 HydrophobicContact CE2-CG2 3.82Å; V426-V430 PolarHBondContact O-N 3.35Å; Y427-V430 CarbonylContact O-C 3.22Å; Y427-V430 PolarHBondContact O-N 3.38Å; S428-V430 VanDerWaalsContact C-N 3.26Å; S428-V430 PolarHBondContact O-N 2.92Å; V430-F432 PolarHBondContact O-N 3.42Å; V430-C433 VanDerWaalsContact O-CB 3.27Å; V430-C433 WeakPolarHBondContact O-CB 3.29Å; V430-C433 PolarHBondContact O-N 3.41Å |
| 431 | Y | 97.5 | Very high | 97.1 | Very high | 145 Ų | 145 | 48.2 Ų | 48.2 | 57% | 0.569 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 34.3 | 175.1 | -48.6 | -71.2 | 0 | 0 | 0 | 114.2 | F244 R247 Y427 S428 S429 C433 L436 | F244-Y431 AromaticContact CD2-CD2 3.67Å; F244-Y431 HydrophobicContact CD2-CD2 3.67Å; F244-Y431 AromaticContact CD2-CE2 3.9Å; F244-Y431 HydrophobicContact CD2-CE2 3.9Å; F244-Y431 AromaticContact CE2-CD2 3.97Å; F244-Y431 HydrophobicContact CE2-CD2 3.97Å; R247-Y431 PolarHBondContact NH2-OH 2.64Å; Y427-Y431 PolarHBondContact O-N 3.2Å; Y427-Y431 VanDerWaalsContact O-N 3.12Å; S428-Y431 PolarHBondContact O-N 2.87Å; S429-Y431 VanDerWaalsContact C-N 3.34Å; Y431-C433 PolarHBondContact O-N 2.96Å; Y431-C433 VanDerWaalsContact O-N 3.13Å; Y431-L436 VanDerWaalsContact O-CD1 3.32Å; Y431-L436 WeakPolarHBondContact O-CD1 3.48Å |
| 432 | F | 97.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 33.7 | -176.2 | -63.2 | -95.7 | 0 | 0 | 0 | 113.8 | Y410 L424 Y427 V430 G434 H435 L436 | Y410-F432 WeakPolarHBondContact OH-CA 3.36Å; L424-F432 HydrophobicContact CD1-CE1 4.25Å; L424-F432 HydrophobicContact CD1-CZ 3.74Å; Y427-F432 HydrophobicContact CD2-CD1 4.13Å; Y427-F432 HydrophobicContact CD2-CE1 4.07Å; Y427-F432 HydrophobicContact CG-CD1 4.47Å; Y427-F432 HydrophobicContact CG-CE1 4.44Å; Y427-F432 PolarHBondContact O-N 3.35Å; V430-F432 PolarHBondContact O-N 3.42Å; F432-G434 PolarHBondContact O-N 3.14Å; F432-G434 VanDerWaalsContact O-N 3.09Å; F432-H435 HydrophobicContact CB-CB 4.31Å; F432-H435 PolarHBondContact O-N 3.37Å; F432-L436 PolarHBondContact O-N 3.04Å |
| 433 | C | 97.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.3 | -37.2 | -170.8 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | F244 V430 Y431 F437 | F244-C433 HydrophobicContact CE2-CB 4.14Å; F244-C433 HydrophobicContact CZ-CB 3.9Å; V430-C433 VanDerWaalsContact O-CB 3.27Å; V430-C433 WeakPolarHBondContact O-CB 3.29Å; V430-C433 PolarHBondContact O-N 3.41Å; Y431-C433 PolarHBondContact O-N 2.96Å; Y431-C433 VanDerWaalsContact O-N 3.13Å; C433-F437 WeakPolarHBondContact O-CB 3.47Å; C433-F437 PolarHBondContact O-N 3.47Å |
| 434 | G | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F407 F432 L436 F437 F438 | F407-G434 VanDerWaalsContact CE1-CA 3.45Å; F432-G434 PolarHBondContact O-N 3.14Å; F432-G434 VanDerWaalsContact O-N 3.09Å; G434-L436 PolarHBondContact O-N 2.85Å; G434-F437 PolarHBondContact O-N 3.24Å; G434-F438 WeakPolarHBondContact O-CD2 3.36Å; G434-F438 PolarHBondContact O-N 3.34Å |
| 435 | H | 97.6 | Very high | 97 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 177.3 | -66.5 | 74.6 | 0 | 0 | 0 | 110.9 | M363 Y410 Y427 F432 F437 L439 | M363-H435 PolarHBondContact SD-NE2 3.23Å; Y410-H435 AromaticContact CE1-CE1 3.7Å; Y410-H435 AromaticContact CE1-ND1 3.52Å; Y410-H435 AromaticContact CZ-ND1 3.59Å; Y410-H435 PolarHBondContact OH-CE1 3.02Å; Y410-H435 PolarHBondContact OH-ND1 3.22Å; Y427-H435 AromaticContact CD2-CE1 3.88Å; Y427-H435 AromaticContact CE2-CE1 3.41Å; Y427-H435 VanDerWaalsContact CE2-CE1 3.41Å; Y427-H435 WeakPolarHBondContact CE2-CE1 3.38Å; F432-H435 HydrophobicContact CB-CB 4.31Å; F432-H435 PolarHBondContact O-N 3.37Å; H435-F437 PolarHBondContact O-N 3.2Å; H435-L439 WeakPolarHBondContact O-CB 2.99Å; H435-L439 PolarHBondContact O-N 3.14Å |
| 436 | L | 97.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 52% | 0.518 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 178.6 | -67.2 | 177.9 | 0 | 0 | 0 | 111.1 | Y431 F432 G434 L439 V440 | Y431-L436 VanDerWaalsContact O-CD1 3.32Å; Y431-L436 WeakPolarHBondContact O-CD1 3.48Å; F432-L436 PolarHBondContact O-N 3.04Å; G434-L436 PolarHBondContact O-N 2.85Å; L436-L439 PolarHBondContact O-N 3.17Å; L436-V440 VanDerWaalsContact O-CB 3.26Å; L436-V440 WeakPolarHBondContact O-CB 3.28Å; L436-V440 WeakPolarHBondContact O-CG2 3.49Å; L436-V440 PolarHBondContact O-N 3.35Å |
| 437 | F | 97.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 40% | 0.395 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -52.9 | 179.6 | 179.8 | -92.9 | 0 | 0 | 0 | 112 | I403 F407 C433 G434 H435 V440 A441 | I403-F437 HydrophobicContact CG2-CZ 4.45Å; F407-F437 HydrophobicContact CD2-CD1 4.18Å; F407-F437 HydrophobicContact CD2-CE1 4.26Å; F407-F437 HydrophobicContact CE1-CB 4.47Å; F407-F437 HydrophobicContact CE2-CB 4.37Å; F407-F437 AromaticContact CE2-CD1 3.46Å; F407-F437 HydrophobicContact CE2-CD1 3.46Å; F407-F437 VanDerWaalsContact CE2-CD1 3.46Å; F407-F437 HydrophobicContact CE2-CD2 4.23Å; F407-F437 AromaticContact CE2-CE1 3.69Å; F407-F437 HydrophobicContact CE2-CE1 3.69Å; F407-F437 HydrophobicContact CE2-CE2 4.42Å; F407-F437 AromaticContact CE2-CG 3.76Å; F407-F437 HydrophobicContact CE2-CG 3.76Å; F407-F437 HydrophobicContact CE2-CZ 4.17Å; F407-F437 HydrophobicContact CZ-CB 3.8Å; F407-F437 AromaticContact CZ-CD1 3.78Å; F407-F437 HydrophobicContact CZ-CD1 3.78Å; F407-F437 HydrophobicContact CZ-CD2 4.25Å; F407-F437 HydrophobicContact CZ-CE1 4.43Å; F407-F437 AromaticContact CZ-CG 3.67Å; F407-F437 HydrophobicContact CZ-CG 3.67Å; C433-F437 WeakPolarHBondContact O-CB 3.47Å; C433-F437 PolarHBondContact O-N 3.47Å; G434-F437 PolarHBondContact O-N 3.24Å; H435-F437 PolarHBondContact O-N 3.2Å; F437-V440 PolarHBondContact O-N 3.45Å; F437-A441 VanDerWaalsContact O-CB 3.25Å; F437-A441 WeakPolarHBondContact O-CB 3.4Å; F437-A441 PolarHBondContact O-N 3.34Å |
| 438 | F | 97.5 | Very high | 96.3 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.7 | -32.9 | -177.1 | -72.7 | -70.8 | 0 | 0 | 0 | 112.8 | F307 M363 I367 V370 F407 G434 Y442 | F307-F438 HydrophobicContact CE2-CZ 4.32Å; F307-F438 HydrophobicContact CZ-CZ 4.21Å; M363-F438 HydrophobicContact CE-CD2 3.79Å; M363-F438 HydrophobicContact CE-CE2 4.41Å; I367-F438 HydrophobicContact CB-CE1 4.17Å; I367-F438 HydrophobicContact CB-CZ 4.3Å; I367-F438 HydrophobicContact CD1-CE2 4.01Å; I367-F438 HydrophobicContact CD1-CZ 4.23Å; I367-F438 HydrophobicContact CG1-CD1 4.08Å; I367-F438 HydrophobicContact CG1-CD2 3.8Å; I367-F438 HydrophobicContact CG1-CE1 3.81Å; I367-F438 HydrophobicContact CG1-CE2 3.54Å; I367-F438 HydrophobicContact CG1-CG 4.1Å; I367-F438 HydrophobicContact CG1-CZ 3.56Å; I367-F438 HydrophobicContact CG2-CE1 4.14Å; I367-F438 HydrophobicContact CG2-CZ 4.18Å; V370-F438 HydrophobicContact CB-CD1 3.94Å; V370-F438 HydrophobicContact CG1-CD1 3.96Å; V370-F438 HydrophobicContact CG1-CE1 4.4Å; V370-F438 HydrophobicContact CG2-CB 4.42Å; V370-F438 HydrophobicContact CG2-CD1 4.11Å; V370-F438 WeakPolarHBondContact CG2-O 3.39Å; F407-F438 HydrophobicContact CB-CE2 3.7Å; F407-F438 HydrophobicContact CB-CZ 3.76Å; F407-F438 AromaticContact CD1-CE2 3.72Å; F407-F438 HydrophobicContact CD1-CE2 3.72Å; F407-F438 HydrophobicContact CD1-CZ 4.43Å; F407-F438 AromaticContact CD2-CE2 3.73Å; F407-F438 HydrophobicContact CD2-CE2 3.73Å; F407-F438 AromaticContact CD2-CZ 3.64Å; F407-F438 HydrophobicContact CD2-CZ 3.64Å; F407-F438 HydrophobicContact CE1-CE2 4.27Å; F407-F438 HydrophobicContact CE2-CE2 4.25Å; F407-F438 HydrophobicContact CE2-CZ 4.33Å; F407-F438 AromaticContact CG-CE2 3.44Å; F407-F438 HydrophobicContact CG-CE2 3.44Å; F407-F438 VanDerWaalsContact CG-CE2 3.44Å; F407-F438 AromaticContact CG-CZ 3.7Å; F407-F438 HydrophobicContact CG-CZ 3.7Å; G434-F438 WeakPolarHBondContact O-CD2 3.36Å; G434-F438 PolarHBondContact O-N 3.34Å; F438-Y442 WeakPolarHBondContact O-CB 3.3Å; F438-Y442 PolarHBondContact O-N 3.08Å |
| 439 | L | 96.6 | Very high | 96 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 173.4 | -179.7 | 62.5 | 0 | 0 | 0 | 111.2 | H435 L436 Y442 L443 | H435-L439 WeakPolarHBondContact O-CB 2.99Å; H435-L439 PolarHBondContact O-N 3.14Å; L436-L439 PolarHBondContact O-N 3.17Å; L439-Y442 PolarHBondContact O-N 3.04Å; L439-L443 HydrophobicContact CD1-CD1 4.39Å; L439-L443 HydrophobicContact CG-CD1 4.37Å; L439-L443 WeakPolarHBondContact O-CG 3.28Å; L439-L443 PolarHBondContact O-N 2.86Å; L439-L443 VanDerWaalsContact O-N 3.08Å |
| 440 | V | 96.8 | Very high | 95.7 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 178 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L436 F437 Y442 L443 I444 | L436-V440 VanDerWaalsContact O-CB 3.26Å; L436-V440 WeakPolarHBondContact O-CB 3.28Å; L436-V440 WeakPolarHBondContact O-CG2 3.49Å; L436-V440 PolarHBondContact O-N 3.35Å; F437-V440 PolarHBondContact O-N 3.45Å; V440-Y442 PolarHBondContact O-N 3.03Å; V440-L443 PolarHBondContact O-N 3.03Å; V440-I444 HydrophobicContact CG1-CD1 3.45Å; V440-I444 VanDerWaalsContact CG1-CD1 3.45Å; V440-I444 HydrophobicContact CG1-CG1 4.22Å; V440-I444 WeakPolarHBondContact O-CB 3.39Å; V440-I444 WeakPolarHBondContact O-CG1 3.5Å; V440-I444 PolarHBondContact O-N 3.34Å |
| 441 | A | 96.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 77 Ų | 77 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V370 F437 L443 I444 L445 | V370-A441 HydrophobicContact CG1-CB 3.67Å; V370-A441 HydrophobicContact CG2-CB 4.46Å; F437-A441 VanDerWaalsContact O-CB 3.25Å; F437-A441 WeakPolarHBondContact O-CB 3.4Å; F437-A441 PolarHBondContact O-N 3.34Å; A441-L443 VanDerWaalsContact C-N 3.3Å; A441-L443 PolarHBondContact O-N 3.01Å; A441-I444 PolarHBondContact O-N 3.33Å; A441-L445 VanDerWaalsContact O-CB 3.31Å; A441-L445 WeakPolarHBondContact O-CB 3.1Å; A441-L445 WeakPolarHBondContact O-CD1 3.3Å; A441-L445 WeakPolarHBondContact O-CG 3.47Å; A441-L445 PolarHBondContact O-N 3.47Å |
| 442 | Y | 95.7 | Very high | 94.9 | Very high | 104 Ų | 104 | 72.9 Ų | 72.9 | 41% | 0.408 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 176.8 | 177.5 | -99.9 | 0 | 0 | 0 | 112.5 | T369 Q373 F438 L439 V440 P446 | T369-Y442 HydrophobicContact CG2-CD2 4.12Å; T369-Y442 HydrophobicContact CG2-CE2 3.92Å; Q373-Y442 VanDerWaalsContact NE2-CE2 3.3Å; F438-Y442 WeakPolarHBondContact O-CB 3.3Å; F438-Y442 PolarHBondContact O-N 3.08Å; L439-Y442 PolarHBondContact O-N 3.04Å; V440-Y442 PolarHBondContact O-N 3.03Å; Y442-P446 WeakPolarHBondContact O-CD 3.3Å |
| 443 | L | 95.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 71 Ų | 71 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.2 | -37.7 | 179 | -65.7 | 174.5 | 0 | 0 | 0 | 112.5 | L439 V440 A441 F447 | L439-L443 HydrophobicContact CD1-CD1 4.39Å; L439-L443 HydrophobicContact CG-CD1 4.37Å; L439-L443 WeakPolarHBondContact O-CG 3.28Å; L439-L443 PolarHBondContact O-N 2.86Å; L439-L443 VanDerWaalsContact O-N 3.08Å; V440-L443 PolarHBondContact O-N 3.03Å; A441-L443 VanDerWaalsContact C-N 3.3Å; A441-L443 PolarHBondContact O-N 3.01Å; L443-F447 WeakPolarHBondContact O-CD2 3.3Å; L443-F447 VanDerWaalsContact O-CE2 3.23Å; L443-F447 WeakPolarHBondContact O-CE2 3.47Å |
| 444 | I | 95.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 42% | 0.415 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -81.2 | -37.1 | -174.3 | -69.9 | 179.3 | 0 | 0 | 0 | 112.9 | V440 A441 F447 L448 | V440-I444 HydrophobicContact CG1-CD1 3.45Å; V440-I444 VanDerWaalsContact CG1-CD1 3.45Å; V440-I444 HydrophobicContact CG1-CG1 4.22Å; V440-I444 WeakPolarHBondContact O-CB 3.39Å; V440-I444 WeakPolarHBondContact O-CG1 3.5Å; V440-I444 PolarHBondContact O-N 3.34Å; A441-I444 PolarHBondContact O-N 3.33Å; I444-F447 WeakPolarHBondContact O-CB 3.45Å; I444-F447 PolarHBondContact O-N 2.98Å; I444-L448 HydrophobicContact CG2-CD1 3.69Å; I444-L448 HydrophobicContact CG2-CD2 4.46Å; I444-L448 HydrophobicContact CG2-CG 3.72Å; I444-L448 PolarHBondContact O-N 3.01Å |
| 445 | L | 94.5 | Very high | 93 | Very high | 20 Ų | 20 | 82.8 Ų | 82.8 | 11% | 0.105 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -54.8 | -41.4 | -174.3 | -80.8 | 168.3 | 0 | 0 | 0 | 114.4 | V370 Q373 A374 L377 A441 F447 L448 R449 | V370-L445 HydrophobicContact CG1-CD1 3.84Å; Q373-L445 HydrophobicContact CB-CB 4.32Å; Q373-L445 HydrophobicContact CB-CD1 3.83Å; A374-L445 HydrophobicContact CB-CD1 4.12Å; A374-L445 HydrophobicContact CB-CD2 4.21Å; L377-L445 HydrophobicContact CD2-CD2 3.62Å; A441-L445 VanDerWaalsContact O-CB 3.31Å; A441-L445 WeakPolarHBondContact O-CB 3.1Å; A441-L445 WeakPolarHBondContact O-CD1 3.3Å; A441-L445 WeakPolarHBondContact O-CG 3.47Å; A441-L445 PolarHBondContact O-N 3.47Å; L445-F447 VanDerWaalsContact C-N 3.33Å; L445-F447 PolarHBondContact O-N 2.95Å; L445-L448 PolarHBondContact O-N 3.04Å; L445-R449 PolarHBondContact O-N 3.13Å |
| 446 | P | 93.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 173.8 | -26.4 | 35.6 | 0 | 0 | 0 | 113.7 | Y442 R449 I450 | Y442-P446 WeakPolarHBondContact O-CD 3.3Å; P446-R449 WeakPolarHBondContact O-CB 3.31Å; P446-R449 PolarHBondContact O-N 3.37Å; P446-I450 WeakPolarHBondContact O-CG1 3.46Å; P446-I450 PolarHBondContact O-N 3.36Å |
| 447 | F | 93.2 | Very high | 89 | Confident | 144 Ų | 144 | 91.7 Ų | 91.7 | 63% | 0.632 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.5 | -42.8 | 177.3 | -62.3 | -76.8 | 0 | 0 | 0 | 111.5 | L443 I444 L445 R449 I450 T451 | L443-F447 WeakPolarHBondContact O-CD2 3.3Å; L443-F447 VanDerWaalsContact O-CE2 3.23Å; L443-F447 WeakPolarHBondContact O-CE2 3.47Å; I444-F447 WeakPolarHBondContact O-CB 3.45Å; I444-F447 PolarHBondContact O-N 2.98Å; L445-F447 VanDerWaalsContact C-N 3.33Å; L445-F447 PolarHBondContact O-N 2.95Å; F447-R449 PolarHBondContact O-N 3.21Å; F447-I450 WeakPolarHBondContact O-CB 3.48Å; F447-I450 PolarHBondContact O-N 2.82Å; F447-I450 VanDerWaalsContact O-N 3.08Å; F447-T451 PolarHBondContact O-N 3.2Å; F447-T451 VanDerWaalsContact O-N 3.14Å; F447-T451 PolarHBondContact O-OG1 3.36Å |
| 448 | L | 92.4 | Very high | 86.6 | Confident | 67 Ų | 67 | 99.1 Ų | 99.1 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 173.8 | -69.3 | 178.9 | 0 | 0 | 0 | 112 | L377 I444 L445 T451 L452 | L377-L448 HydrophobicContact CD2-CB 3.78Å; L377-L448 HydrophobicContact CD2-CD1 4.39Å; I444-L448 HydrophobicContact CG2-CD1 3.69Å; I444-L448 HydrophobicContact CG2-CD2 4.46Å; I444-L448 HydrophobicContact CG2-CG 3.72Å; I444-L448 PolarHBondContact O-N 3.01Å; L445-L448 PolarHBondContact O-N 3.04Å; L448-T451 WeakPolarHBondContact CA-OG1 3.26Å; L448-T451 PolarHBondContact O-N 3.44Å; L448-T451 PolarHBondContact O-OG1 3.41Å; L448-T451 VanDerWaalsContact O-OG1 3.06Å; L448-L452 HydrophobicContact CB-CD1 4.32Å; L448-L452 HydrophobicContact CD2-CD1 4.44Å; L448-L452 VanDerWaalsContact O-CB 3.24Å; L448-L452 WeakPolarHBondContact O-CB 3.48Å; L448-L452 WeakPolarHBondContact O-CG 3.45Å; L448-L452 PolarHBondContact O-N 3.32Å |
| 449 | R | 91.8 | Very high | 84 | Confident | 130 Ų | 130 | 109.3 Ų | 109.3 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 174.5 | -163.1 | 176.9 | -178.9 | -130.5 | 2.1 | 112.3 | L377 D380 L445 P446 F447 T451 V453 | L377-R449 VanDerWaalsContact CD1-CA 3.49Å; L377-R449 HydrophobicContact CD1-CB 3.92Å; L377-R449 HydrophobicContact CD1-CG 4.1Å; D380-R449 IonicContact OD2-CZ 3.97Å; D380-R449 IonicContact OD2-NE 2.63Å; D380-R449 PolarHBondContact OD2-NE 3.31Å; D380-R449 VanDerWaalsContact OD2-NE 3.16Å; D380-R449 IonicContact OD2-NH2 3.79Å; D380-R449 PolarHBondContact OD2-NH2 2.92Å; L445-R449 PolarHBondContact O-N 3.13Å; P446-R449 WeakPolarHBondContact O-CB 3.31Å; P446-R449 PolarHBondContact O-N 3.37Å; F447-R449 PolarHBondContact O-N 3.21Å; R449-T451 VanDerWaalsContact C-N 3.29Å; R449-T451 PolarHBondContact O-N 2.73Å; R449-V453 HydrophobicContact CG-CB 4.42Å; R449-V453 HydrophobicContact CG-CG2 3.64Å; R449-V453 WeakPolarHBondContact O-CB 3.37Å; R449-V453 WeakPolarHBondContact O-CG2 3.38Å; R449-V453 PolarHBondContact O-N 2.93Å; R449-V453 VanDerWaalsContact O-N 3.16Å |
| 450 | I | 90 | Very high | 81.5 | Confident | 126 Ų | 126 | 113.4 Ų | 113.4 | 65% | 0.646 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.8 | -35.2 | 176.7 | -66.1 | 166.3 | 0 | 0 | 0 | 111.4 | P446 F447 | P446-I450 WeakPolarHBondContact O-CG1 3.46Å; P446-I450 PolarHBondContact O-N 3.36Å; F447-I450 WeakPolarHBondContact O-CB 3.48Å; F447-I450 PolarHBondContact O-N 2.82Å; F447-I450 VanDerWaalsContact O-N 3.08Å |
| 451 | T | 90.2 | Very high | 78.9 | Confident | 103 Ų | 103 | 119.7 Ų | 119.7 | 63% | 0.632 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -86.8 | -37 | -175.9 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | F447 L448 R449 | F447-T451 PolarHBondContact O-N 3.2Å; F447-T451 VanDerWaalsContact O-N 3.14Å; F447-T451 PolarHBondContact O-OG1 3.36Å; L448-T451 WeakPolarHBondContact CA-OG1 3.26Å; L448-T451 PolarHBondContact O-N 3.44Å; L448-T451 PolarHBondContact O-OG1 3.41Å; L448-T451 VanDerWaalsContact O-OG1 3.06Å; R449-T451 VanDerWaalsContact C-N 3.29Å; R449-T451 PolarHBondContact O-N 2.73Å |
| 452 | L | 90.2 | Very high | 76.2 | Confident | 57 Ų | 57 | 128.2 Ų | 128.2 | 30% | 0.298 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -99.5 | -13.6 | -171.6 | -60.6 | 177.1 | 0 | 0 | 0 | 114.4 | L377 S381 L383 L384 L448 | L377-L452 HydrophobicContact CD1-CB 4.41Å; S381-L452 WeakPolarHBondContact CB-O 3.49Å; S381-L452 PolarHBondContact OG-O 3.45Å; L383-L452 HydrophobicContact CD2-CD2 4.49Å; L384-L452 HydrophobicContact CD1-CD1 4.08Å; L448-L452 HydrophobicContact CB-CD1 4.32Å; L448-L452 HydrophobicContact CD2-CD1 4.44Å; L448-L452 VanDerWaalsContact O-CB 3.24Å; L448-L452 WeakPolarHBondContact O-CB 3.48Å; L448-L452 WeakPolarHBondContact O-CG 3.45Å; L448-L452 PolarHBondContact O-N 3.32Å |
| 453 | V | 89.9 | Confident | 73.5 | Confident | 35 Ų | 35 | 131.5 Ų | 131.5 | 21% | 0.212 | 61% | 0.612 | C | S | . | * | S | Bend | trans | -97.3 | 120.5 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 109 | L377 D380 R449 K455 | L377-V453 HydrophobicContact CD1-CG2 4.04Å; D380-V453 HydrophobicContact CB-CB 4.48Å; D380-V453 HydrophobicContact CB-CG1 3.97Å; D380-V453 HydrophobicContact CB-CG2 3.61Å; R449-V453 HydrophobicContact CG-CB 4.42Å; R449-V453 HydrophobicContact CG-CG2 3.64Å; R449-V453 WeakPolarHBondContact O-CB 3.37Å; R449-V453 WeakPolarHBondContact O-CG2 3.38Å; R449-V453 PolarHBondContact O-N 2.93Å; R449-V453 VanDerWaalsContact O-N 3.16Å; V453-K455 PolarHBondContact O-N 3.31Å |
| 454 | P | 82.9 | Confident | 70.7 | Confident | 83 Ų | 83 | 138.3 Ų | 138.3 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | trans | -56.2 | 134 | 175.9 | -21.9 | 31.5 | 0 | 0 | 0 | 110.7 | P382 K456 | P382-P454 HydrophobicContact CG-CG 4.02Å; P454-K456 PolarHBondContact O-N 3.22Å | ||
| 455 | K | 78.8 | Confident | 69.5 | Low | 188 Ų | 188 | 141.2 Ų | 141.2 | 82% | 0.817 | 66% | 0.661 | S | S | * | * | trans | -62.2 | 115.4 | 169.3 | -71.4 | -179.5 | -179.7 | 174.5 | 0 | 107.3 | V453 D457 | V453-K455 PolarHBondContact O-N 3.31Å; K455-D457 PolarHBondContact O-N 3.38Å | ||
| 456 | K | 61.3 | Low | 68.1 | Low | 203 Ų | 203 | 147.6 Ų | 147.6 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | -57 | 114.2 | 171 | -115.3 | -178.8 | 178 | 178.9 | 0 | 107.9 | P454 R458 | P454-K456 PolarHBondContact O-N 3.22Å; K456-R458 PolarHBondContact O-N 3.11Å; K456-R458 VanDerWaalsContact O-N 3.16Å | ||
| 457 | D | 49.3 | Very low | 66.8 | Low | 137 Ų | 137 | 152.4 Ų | 152.4 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -59.9 | 121.4 | 174.3 | -101.4 | -28.1 | 0 | 0 | 0 | 108.4 | K455 R459 | K455-D457 PolarHBondContact O-N 3.38Å; D457-R459 PolarHBondContact O-N 3.44Å | ||
| 458 | R | 46.1 | Very low | 65.2 | Low | 246 Ų | 246 | 152.9 Ų | 152.9 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 9.4 | -178.8 | -116.1 | 178.3 | 177.6 | -175.5 | -1.1 | 113.5 | K456 | K456-R458 PolarHBondContact O-N 3.11Å; K456-R458 VanDerWaalsContact O-N 3.16Å |
| 459 | R | 42.7 | Very low | 63.5 | Low | 222 Ų | 222 | 158.3 Ų | 158.3 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -21.5 | -173.4 | -89.5 | -178.7 | 170.6 | 178.9 | -2.8 | 114.9 | D457 K461 | D457-R459 PolarHBondContact O-N 3.44Å; R459-K461 PolarHBondContact O-N 2.86Å |
| 460 | E | 44.2 | Very low | 61.6 | Low | 180 Ų | 180 | 160.1 Ų | 160.1 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 3.3 | -175.8 | -72.2 | -177.4 | 164.8 | 0 | 0 | 115.3 | ||
| 461 | K | 42.3 | Very low | 59.6 | Low | 206 Ų | 206 | 162.6 Ų | 162.6 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 14.2 | 174.6 | -93.9 | -169.3 | 175.6 | -170.9 | 0 | 114.6 | R459 | R459-K461 PolarHBondContact O-N 2.86Š|
| 462 | K | 41 | Very low | 57.2 | Low | 200 Ų | 200 | 167.2 Ų | 167.2 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -119.7 | 8.2 | 178.3 | -98.5 | -168.2 | 176.7 | -171.4 | 0 | 115.1 | ||
| 463 | Q | 38.4 | Very low | 54.5 | Low | 173 Ų | 173 | 176.3 Ų | 176.3 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -135.4 | 85.2 | 167.8 | -80.9 | 177.4 | -32.7 | 0 | 0 | 107.4 | ||||
| 464 | D | 37 | Very low | 51.3 | Low | 243 Ų | 243 | 189.2 Ų | 189.2 | 100% | 1.299 | 86% | 0.859 | S | S | * | * | trans | -179.8 | 0 | 132.8 | -83.5 | -12.8 | 0 | 0 | 0 | 109.6 |
Retrieved 464 of 464 residues in 1016.5 ms
(Link to these results)