| 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 | 42.4 | Very low | 45.4 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 98% | 0.98 | 74% | 0.738 | S | S | * | * | 0 | -49.3 | 0 | -79.8 | -66 | -121.8 | 0 | 0 | 112.1 | F4 R5 | M1-F4 PolarHBondContact O-N 3.35Å; M1-R5 WeakPolarHBondContact O-CB 3.45Å; M1-R5 PolarHBondContact O-N 3.19Å | |||
| 2 | E | 46.5 | Very low | 45 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -63.1 | -39.7 | 173.9 | -78.1 | -178.1 | 148 | 0 | 0 | 114 | F4 R5 K6 | E2-F4 VanDerWaalsContact C-N 3.33Å; E2-F4 PolarHBondContact O-N 3.03Å; E2-R5 PolarHBondContact O-N 2.69Å; E2-R5 VanDerWaalsContact O-N 3.15Å; E2-K6 PolarHBondContact O-N 2.95Å |
| 3 | I | 52.8 | Low | 44.6 | Very low | 131 Ų | 131 | 142 Ų | 142 | 67% | 0.672 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -61.3 | -41.6 | 174.7 | -63.7 | 169.5 | 0 | 0 | 0 | 111.3 | K6 Y7 | I3-K6 PolarHBondContact O-N 3.49Å; I3-Y7 PolarHBondContact O-N 3.46Å |
| 4 | F | 54 | Low | 45 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 64% | 0.64 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.9 | -34 | 174.6 | -96.1 | -85.2 | 0 | 0 | 0 | 112.7 | M1 E2 Y7 L8 | M1-F4 PolarHBondContact O-N 3.35Å; E2-F4 VanDerWaalsContact C-N 3.33Å; E2-F4 PolarHBondContact O-N 3.03Å; F4-Y7 PolarHBondContact O-N 3Å; F4-L8 HydrophobicContact CD1-CD1 3.97Å; F4-L8 WeakPolarHBondContact O-CB 3.4Å; F4-L8 PolarHBondContact O-N 3.28Å; F4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | R | 47.2 | Very low | 45.6 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.5 | -33.6 | 174.9 | -168.4 | 179.4 | -98.7 | 164.9 | -8.4 | 111.7 | M1 E2 G9 | M1-R5 WeakPolarHBondContact O-CB 3.45Å; M1-R5 PolarHBondContact O-N 3.19Å; E2-R5 PolarHBondContact O-N 2.69Å; E2-R5 VanDerWaalsContact O-N 3.15Å; R5-G9 PolarHBondContact O-N 3.19Å |
| 6 | K | 50.8 | Low | 46.3 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.9 | -28.1 | 175.9 | -143.3 | 179.4 | -176.7 | -171.8 | 0 | 113.1 | E2 I3 | E2-K6 PolarHBondContact O-N 2.95Å; I3-K6 PolarHBondContact O-N 3.49Å |
| 7 | Y | 45.2 | Very low | 47.2 | Very low | 204 Ų | 204 | 126.8 Ų | 126.8 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -89.1 | -21 | 178 | -105.1 | -88.2 | 0 | 0 | 0 | 114.9 | I3 F4 | I3-Y7 PolarHBondContact O-N 3.46Å; F4-Y7 PolarHBondContact O-N 3Å |
| 8 | L | 53.1 | Low | 48.7 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -114.4 | -1.6 | -175.5 | -76 | 159.3 | 0 | 0 | 0 | 114.4 | F4 | F4-L8 HydrophobicContact CD1-CD1 3.97Å; F4-L8 WeakPolarHBondContact O-CB 3.4Å; F4-L8 PolarHBondContact O-N 3.28Å; F4-L8 VanDerWaalsContact O-N 3.15Å |
| 9 | G | 38.6 | Very low | 50.3 | Low | 50 Ų | 50 | 117.3 Ų | 117.3 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -153.1 | 84 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R5 | R5-G9 PolarHBondContact O-N 3.19Š|
| 10 | G | 32 | Very low | 51.8 | Low | 74 Ų | 74 | 112.9 Ų | 112.9 | 76% | 0.763 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 74 | 103.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 11 | S | 37 | Very low | 53.6 | Low | 94 Ų | 94 | 111.2 Ų | 111.2 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | trans | 151.6 | 22.4 | 137.5 | 74.1 | 0 | 0 | 0 | 0 | 114 | S14 | S11-S14 PolarHBondContact O-OG 3.11Š| ||
| 12 | T | 40.6 | Very low | 55.9 | Low | 96 Ų | 96 | 105 Ų | 105 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -86 | -32 | 169.5 | 35 | 0 | 0 | 0 | 0 | 112.5 | S14 D15 | T12-S14 PolarHBondContact O-N 2.91Å; T12-S14 VanDerWaalsContact O-N 3.15Å; T12-D15 PolarHBondContact O-N 3.47Å |
| 13 | E | 39.9 | Very low | 58.1 | Low | 158 Ų | 158 | 97 Ų | 97 | 74% | 0.738 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -25.2 | 177.8 | -71.6 | -179.3 | 164.1 | 0 | 0 | 113.2 | V17 | E13-V17 WeakPolarHBondContact O-CB 3.42Å; E13-V17 WeakPolarHBondContact O-CG2 3.37Å; E13-V17 PolarHBondContact O-N 3.44Å |
| 14 | S | 50 | Low | 60 | Low | 62 Ų | 62 | 94.2 Ų | 94.2 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | -178.7 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | S11 T12 V18 | S11-S14 PolarHBondContact O-OG 3.11Å; T12-S14 PolarHBondContact O-N 2.91Å; T12-S14 VanDerWaalsContact O-N 3.15Å; S14-V18 VanDerWaalsContact O-CB 3.31Å; S14-V18 WeakPolarHBondContact O-CB 3.38Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 3.2Å; S14-V18 VanDerWaalsContact O-N 3.12Å |
| 15 | D | 54.7 | Low | 61.9 | Low | 100 Ų | 100 | 94 Ų | 94 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -81.1 | -33.2 | -175.1 | -84.4 | -4.7 | 0 | 0 | 0 | 112.6 | T12 G19 | T12-D15 PolarHBondContact O-N 3.47Å; D15-G19 PolarHBondContact O-N 3.37Å |
| 16 | E | 56.1 | Low | 64.2 | Low | 63 Ų | 63 | 85.7 Ų | 85.7 | 29% | 0.294 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 173.3 | -74.9 | -174.6 | 154.4 | 0 | 0 | 111.1 | V18 G19 A20 I104 N105 | E16-V18 VanDerWaalsContact C-N 3.32Å; E16-V18 PolarHBondContact O-N 2.89Å; E16-G19 PolarHBondContact O-N 3.01Å; E16-A20 PolarHBondContact O-N 2.7Å; E16-I104 HydrophobicContact CG-CG2 4.44Å; E16-I104 WeakPolarHBondContact OE1-CG2 3.33Å; E16-N105 PolarHBondContact OE1-ND2 2.9Å |
| 17 | V | 61.6 | Low | 66.3 | Low | 85 Ų | 85 | 77.5 Ų | 77.5 | 52% | 0.515 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 111 | E13 G19 D21 | E13-V17 WeakPolarHBondContact O-CB 3.42Å; E13-V17 WeakPolarHBondContact O-CG2 3.37Å; E13-V17 PolarHBondContact O-N 3.44Å; V17-G19 PolarHBondContact O-N 3.03Å; V17-D21 WeakPolarHBondContact O-CB 3.28Å; V17-D21 VanDerWaalsContact O-CG 3.27Å; V17-D21 PolarHBondContact O-N 3.18Å |
| 18 | V | 74.8 | Confident | 68.6 | Low | 72 Ų | 72 | 71.7 Ų | 71.7 | 44% | 0.436 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.2 | 170 | 0 | 0 | 0 | 0 | 111.5 | S14 E16 I22 | S14-V18 VanDerWaalsContact O-CB 3.31Å; S14-V18 WeakPolarHBondContact O-CB 3.38Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 3.2Å; S14-V18 VanDerWaalsContact O-N 3.12Å; E16-V18 VanDerWaalsContact C-N 3.32Å; E16-V18 PolarHBondContact O-N 2.89Å; V18-I22 HydrophobicContact CG1-CD1 3.71Å; V18-I22 HydrophobicContact CG1-CG1 4.44Å; V18-I22 WeakPolarHBondContact O-CD1 3.18Å; V18-I22 WeakPolarHBondContact O-CG1 2.99Å; V18-I22 PolarHBondContact O-N 3.28Å; V18-I22 VanDerWaalsContact O-N 3.07Å |
| 19 | G | 77.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | D15 E16 V17 D21 I22 V23 Y53 | D15-G19 PolarHBondContact O-N 3.37Å; E16-G19 PolarHBondContact O-N 3.01Å; V17-G19 PolarHBondContact O-N 3.03Å; G19-D21 PolarHBondContact O-N 2.85Å; G19-I22 PolarHBondContact O-N 2.97Å; G19-V23 WeakPolarHBondContact O-CG2 3.25Å; G19-V23 PolarHBondContact O-N 2.59Å; G19-Y53 VanDerWaalsContact CA-CE1 3.44Å |
| 20 | A | 82.1 | Confident | 73.1 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E16 I22 V23 D24 E56 | E16-A20 PolarHBondContact O-N 2.7Å; A20-I22 VanDerWaalsContact C-N 3.3Å; A20-I22 PolarHBondContact O-N 3.05Å; A20-V23 PolarHBondContact O-N 2.74Å; A20-D24 WeakPolarHBondContact O-CB 3.35Å; A20-D24 PolarHBondContact O-N 2.98Å; A20-E56 HydrophobicContact CB-CG 4.07Å |
| 21 | D | 88.9 | Confident | 76 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 177.8 | -77.7 | -6.7 | 0 | 0 | 0 | 112.9 | V17 G19 K25 | V17-D21 WeakPolarHBondContact O-CB 3.28Å; V17-D21 VanDerWaalsContact O-CG 3.27Å; V17-D21 PolarHBondContact O-N 3.18Å; G19-D21 PolarHBondContact O-N 2.85Å; D21-K25 WeakPolarHBondContact O-CB 3.48Å; D21-K25 WeakPolarHBondContact O-CD 3.37Å; D21-K25 VanDerWaalsContact O-CG 3.24Å; D21-K25 WeakPolarHBondContact O-CG 3.44Å; D21-K25 PolarHBondContact O-N 2.81Å; D21-K25 VanDerWaalsContact O-N 3.17Å |
| 22 | I | 90.8 | Very high | 78.7 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.9 | -45.1 | 177.1 | -69.4 | 163.8 | 0 | 0 | 0 | 110.2 | V18 G19 A20 K25 L26 L49 | V18-I22 HydrophobicContact CG1-CD1 3.71Å; V18-I22 HydrophobicContact CG1-CG1 4.44Å; V18-I22 WeakPolarHBondContact O-CD1 3.18Å; V18-I22 WeakPolarHBondContact O-CG1 2.99Å; V18-I22 PolarHBondContact O-N 3.28Å; V18-I22 VanDerWaalsContact O-N 3.07Å; G19-I22 PolarHBondContact O-N 2.97Å; A20-I22 VanDerWaalsContact C-N 3.3Å; A20-I22 PolarHBondContact O-N 3.05Å; I22-K25 PolarHBondContact O-N 3.4Å; I22-L26 HydrophobicContact CG2-CD1 4.09Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 2.95Å; I22-L26 VanDerWaalsContact O-N 3.11Å; I22-L49 HydrophobicContact CG2-CD1 3.66Å |
| 23 | V | 92 | Very high | 81.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | G19 A20 K25 L26 V27 L46 L49 E56 V57 Q60 | G19-V23 WeakPolarHBondContact O-CG2 3.25Å; G19-V23 PolarHBondContact O-N 2.59Å; A20-V23 PolarHBondContact O-N 2.74Å; V23-K25 PolarHBondContact O-N 3.41Å; V23-L26 PolarHBondContact O-N 3.38Å; V23-L26 VanDerWaalsContact O-N 3.09Å; V23-V27 HydrophobicContact CG1-CG2 4.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.48Å; V23-V27 PolarHBondContact O-N 3.36Å; V23-L46 HydrophobicContact CG1-CD2 4.16Å; V23-L49 HydrophobicContact CG2-CD1 4.19Å; V23-E56 HydrophobicContact CB-CB 4.38Å; V23-E56 HydrophobicContact CG1-CB 4.4Å; V23-E56 HydrophobicContact CG2-CB 4.17Å; V23-V57 HydrophobicContact CG1-CG2 4.15Å; V23-V57 HydrophobicContact CG2-CG2 3.73Å; V23-Q60 HydrophobicContact CG1-CB 4.39Å |
| 24 | D | 93.4 | Very high | 83.5 | Confident | 74 Ų | 74 | 66 Ų | 66 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 179.6 | -167 | 41.7 | 0 | 0 | 0 | 111.6 | A20 L26 V27 D28 | A20-D24 WeakPolarHBondContact O-CB 3.35Å; A20-D24 PolarHBondContact O-N 2.98Å; D24-L26 VanDerWaalsContact C-N 3.3Å; D24-L26 PolarHBondContact O-N 3.18Å; D24-V27 WeakPolarHBondContact O-CB 3.38Å; D24-V27 PolarHBondContact O-N 2.89Å; D24-D28 WeakPolarHBondContact O-CB 3.21Å; D24-D28 PolarHBondContact O-N 2.75Å |
| 25 | K | 93.9 | Very high | 85.5 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 61% | 0.609 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -35 | 175.1 | -75.3 | 170.1 | -172.4 | 161.7 | 0 | 113.6 | D21 I22 V23 R29 | D21-K25 WeakPolarHBondContact O-CB 3.48Å; D21-K25 WeakPolarHBondContact O-CD 3.37Å; D21-K25 VanDerWaalsContact O-CG 3.24Å; D21-K25 WeakPolarHBondContact O-CG 3.44Å; D21-K25 PolarHBondContact O-N 2.81Å; D21-K25 VanDerWaalsContact O-N 3.17Å; I22-K25 PolarHBondContact O-N 3.4Å; V23-K25 PolarHBondContact O-N 3.41Å; K25-R29 VanDerWaalsContact O-CB 3.28Å; K25-R29 WeakPolarHBondContact O-CB 3.24Å; K25-R29 PolarHBondContact O-N 2.9Å |
| 26 | L | 94.5 | Very high | 87.2 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.2 | -37.6 | 177.9 | -72.4 | 171.2 | 0 | 0 | 0 | 111.6 | I22 V23 D24 R29 Y30 A45 L46 L49 | I22-L26 HydrophobicContact CG2-CD1 4.09Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 2.95Å; I22-L26 VanDerWaalsContact O-N 3.11Å; V23-L26 PolarHBondContact O-N 3.38Å; V23-L26 VanDerWaalsContact O-N 3.09Å; D24-L26 VanDerWaalsContact C-N 3.3Å; D24-L26 PolarHBondContact O-N 3.18Å; L26-R29 PolarHBondContact O-N 3.46Å; L26-Y30 PolarHBondContact O-N 2.88Å; L26-A45 HydrophobicContact CD1-CB 3.71Å; L26-A45 HydrophobicContact CD2-CB 3.75Å; L26-A45 HydrophobicContact CG-CB 4.39Å; L26-L46 HydrophobicContact CB-CD1 4.47Å; L26-L46 HydrophobicContact CB-CD2 3.63Å; L26-L46 HydrophobicContact CB-CG 3.86Å; L26-L46 HydrophobicContact CD1-CD2 4.14Å; L26-L46 HydrophobicContact CD1-CG 4.36Å; L26-L49 HydrophobicContact CD1-CD1 3.59Å |
| 27 | V | 94.7 | Very high | 88.9 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 171.9 | 165.2 | 0 | 0 | 0 | 0 | 109.9 | V23 D24 R29 Y30 Q31 L46 Q60 A61 I64 | V23-V27 HydrophobicContact CG1-CG2 4.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.48Å; V23-V27 PolarHBondContact O-N 3.36Å; D24-V27 WeakPolarHBondContact O-CB 3.38Å; D24-V27 PolarHBondContact O-N 2.89Å; V27-R29 VanDerWaalsContact C-N 3.35Å; V27-R29 PolarHBondContact O-N 3.17Å; V27-Y30 WeakPolarHBondContact O-CB 3.06Å; V27-Y30 PolarHBondContact O-N 2.9Å; V27-Q31 WeakPolarHBondContact O-CG 3.49Å; V27-Q31 PolarHBondContact O-N 3.07Å; V27-L46 HydrophobicContact CG2-CD2 4.22Å; V27-Q60 HydrophobicContact CG2-CB 4.09Å; V27-A61 HydrophobicContact CG2-CB 4.13Å; V27-I64 HydrophobicContact CB-CD1 4.04Å; V27-I64 HydrophobicContact CG1-CD1 3.68Å; V27-I64 HydrophobicContact CG2-CD1 4Å |
| 28 | D | 94 | Very high | 90.4 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.6 | -85.5 | -8.6 | 0 | 0 | 0 | 112.2 | D24 Y30 Q31 S32 | D24-D28 WeakPolarHBondContact O-CB 3.21Å; D24-D28 PolarHBondContact O-N 2.75Å; D28-Y30 VanDerWaalsContact C-N 3.34Å; D28-Y30 PolarHBondContact O-N 2.89Å; D28-Q31 PolarHBondContact O-N 2.73Å; D28-S32 VanDerWaalsContact O-CB 3.29Å; D28-S32 WeakPolarHBondContact O-CB 3.23Å; D28-S32 PolarHBondContact O-N 2.95Å; D28-S32 PolarHBondContact O-OG 3.41Å |
| 29 | R | 93.4 | Very high | 91.3 | Very high | 100 Ų | 100 | 65 Ų | 65 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.3 | -175.9 | 176.8 | 179.7 | -171.6 | -3.7 | 110.7 | K25 L26 V27 S32 S33 D38 A42 | K25-R29 VanDerWaalsContact O-CB 3.28Å; K25-R29 WeakPolarHBondContact O-CB 3.24Å; K25-R29 PolarHBondContact O-N 2.9Å; L26-R29 PolarHBondContact O-N 3.46Å; V27-R29 VanDerWaalsContact C-N 3.35Å; V27-R29 PolarHBondContact O-N 3.17Å; R29-S32 PolarHBondContact O-OG 3.37Å; R29-S33 WeakPolarHBondContact O-CB 3.46Å; R29-S33 PolarHBondContact O-N 3.36Å; R29-S33 PolarHBondContact O-OG 2.93Å; R29-D38 IonicContact NH2-OD1 2.71Å; R29-D38 PolarHBondContact NH2-OD1 3.47Å; R29-A42 HydrophobicContact CG-CB 4.45Å |
| 30 | Y | 93.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 66.8 Ų | 66.8 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 177.9 | 179.1 | -90.4 | 0 | 0 | 0 | 111.7 | L26 V27 D28 K39 L43 I64 V68 D72 | L26-Y30 PolarHBondContact O-N 2.88Å; V27-Y30 WeakPolarHBondContact O-CB 3.06Å; V27-Y30 PolarHBondContact O-N 2.9Å; D28-Y30 VanDerWaalsContact C-N 3.34Å; D28-Y30 PolarHBondContact O-N 2.89Å; Y30-K39 HydrophobicContact CD2-CB 3.88Å; Y30-K39 HydrophobicContact CD2-CG 3.99Å; Y30-K39 HydrophobicContact CE2-CB 3.73Å; Y30-K39 HydrophobicContact CE2-CD 4.01Å; Y30-K39 HydrophobicContact CE2-CG 3.88Å; Y30-L43 HydrophobicContact CD2-CD1 4.34Å; Y30-L43 HydrophobicContact CD2-CD2 4.06Å; Y30-L43 HydrophobicContact CD2-CG 3.82Å; Y30-L43 HydrophobicContact CE2-CD1 3.76Å; Y30-L43 HydrophobicContact CE2-CD2 3.96Å; Y30-L43 HydrophobicContact CE2-CG 3.72Å; Y30-I64 HydrophobicContact CD1-CB 4.29Å; Y30-I64 HydrophobicContact CD1-CD1 3.91Å; Y30-I64 HydrophobicContact CD1-CG1 3.89Å; Y30-I64 HydrophobicContact CD1-CG2 3.44Å; Y30-I64 VanDerWaalsContact CD1-CG2 3.44Å; Y30-I64 HydrophobicContact CD2-CG2 4.17Å; Y30-I64 HydrophobicContact CE1-CB 4.4Å; Y30-I64 HydrophobicContact CE1-CG1 4.26Å; Y30-I64 HydrophobicContact CE1-CG2 3.47Å; Y30-I64 VanDerWaalsContact CE1-CG2 3.47Å; Y30-I64 HydrophobicContact CE2-CG2 4.18Å; Y30-I64 HydrophobicContact CG-CD1 4.39Å; Y30-I64 HydrophobicContact CG-CG2 3.82Å; Y30-V68 HydrophobicContact CE2-CG2 4.04Å; Y30-V68 WeakPolarHBondContact OH-CG2 3.35Å; Y30-D72 PolarHBondContact OH-OD2 3.35Å |
| 31 | Q | 92.8 | Very high | 92.8 | Very high | 131 Ų | 131 | 68.5 Ų | 68.5 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69.1 | -35 | -177.2 | -69.2 | 179.7 | -0.6 | 0 | 0 | 113.2 | V27 D28 I64 | V27-Q31 WeakPolarHBondContact O-CG 3.49Å; V27-Q31 PolarHBondContact O-N 3.07Å; D28-Q31 PolarHBondContact O-N 2.73Å; Q31-I64 HydrophobicContact CG-CD1 4.28Å |
| 32 | S | 93.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -84.3 | -19.3 | -179.7 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | D28 R29 | D28-S32 VanDerWaalsContact O-CB 3.29Å; D28-S32 WeakPolarHBondContact O-CB 3.23Å; D28-S32 PolarHBondContact O-N 2.95Å; D28-S32 PolarHBondContact O-OG 3.41Å; R29-S32 PolarHBondContact O-OG 3.37Å |
| 33 | S | 91.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | trans | -77.8 | 131 | -175.4 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | R29 K39 | R29-S33 WeakPolarHBondContact O-CB 3.46Å; R29-S33 PolarHBondContact O-N 3.36Å; R29-S33 PolarHBondContact O-OG 2.93Å; S33-K39 VanDerWaalsContact O-CE 3.25Å; S33-K39 WeakPolarHBondContact O-CE 3.26Å | ||
| 34 | T | 89.4 | Confident | 93.5 | Very high | 141 Ų | 141 | 66.2 Ų | 66.2 | 87% | 0.865 | 33% | 0.325 | S | S | * | . | trans | -97.6 | -23.5 | 175.5 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 35 | R | 92 | Very high | 93.6 | Very high | 145 Ų | 145 | 64.3 Ų | 64.3 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -82 | 134.1 | 174.4 | -85.8 | 179 | 66.8 | -173.3 | -2.8 | 111 | D37 D38 K39 | R35-D37 IonicContact CZ-OD2 2.69Å; R35-D37 IonicContact NE-OD2 3.98Å; R35-D37 IonicContact NH2-OD2 3.61Å; R35-D37 PolarHBondContact NH2-OD2 3.17Å; R35-D37 PolarHBondContact O-N 3.24Å; R35-D38 HydrophobicContact CB-CB 4.44Å; R35-D38 PolarHBondContact O-N 3.26Å; R35-K39 PolarHBondContact O-N 3.36Å |
| 36 | I | 89.7 | Confident | 93.7 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -33.7 | 175.8 | -167.7 | 61.1 | 0 | 0 | 0 | 112.2 | D38 K39 R40 D75 | I36-D38 PolarHBondContact O-N 3Å; I36-K39 HydrophobicContact CD1-CD 4.47Å; I36-K39 WeakPolarHBondContact O-CB 3.46Å; I36-K39 PolarHBondContact O-N 2.92Å; I36-R40 VanDerWaalsContact O-CB 3.26Å; I36-R40 WeakPolarHBondContact O-CB 3Å; I36-R40 PolarHBondContact O-N 3.39Å; I36-D75 HydrophobicContact CD1-CB 4.32Å; I36-D75 HydrophobicContact CG1-CB 4.37Å |
| 37 | D | 92.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 177.7 | -56.6 | -41.8 | 0 | 0 | 0 | 112.2 | R35 R40 D41 | R35-D37 IonicContact CZ-OD2 2.69Å; R35-D37 IonicContact NE-OD2 3.98Å; R35-D37 IonicContact NH2-OD2 3.61Å; R35-D37 PolarHBondContact NH2-OD2 3.17Å; R35-D37 PolarHBondContact O-N 3.24Å; D37-R40 PolarHBondContact O-N 3.13Å; D37-R40 IonicContact OD1-CZ 3.63Å; D37-R40 IonicContact OD1-NH1 3.33Å; D37-R40 PolarHBondContact OD1-NH1 3.4Å; D37-D41 PolarHBondContact O-N 2.86Å |
| 38 | D | 93.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 178.7 | -74.3 | -55.2 | 0 | 0 | 0 | 111.6 | R29 R35 I36 A42 | R29-D38 IonicContact NH2-OD1 2.71Å; R29-D38 PolarHBondContact NH2-OD1 3.47Å; R35-D38 HydrophobicContact CB-CB 4.44Å; R35-D38 PolarHBondContact O-N 3.26Å; I36-D38 PolarHBondContact O-N 3Å; D38-A42 WeakPolarHBondContact O-CB 3.46Å; D38-A42 PolarHBondContact O-N 3.44Å |
| 39 | K | 93.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 171.4 | -74.8 | -174.7 | 172.5 | -170.7 | 0 | 111.5 | Y30 S33 R35 I36 D41 A42 L43 D72 | Y30-K39 HydrophobicContact CD2-CB 3.88Å; Y30-K39 HydrophobicContact CD2-CG 3.99Å; Y30-K39 HydrophobicContact CE2-CB 3.73Å; Y30-K39 HydrophobicContact CE2-CD 4.01Å; Y30-K39 HydrophobicContact CE2-CG 3.88Å; S33-K39 VanDerWaalsContact O-CE 3.25Å; S33-K39 WeakPolarHBondContact O-CE 3.26Å; R35-K39 PolarHBondContact O-N 3.36Å; I36-K39 HydrophobicContact CD1-CD 4.47Å; I36-K39 WeakPolarHBondContact O-CB 3.46Å; I36-K39 PolarHBondContact O-N 2.92Å; K39-D41 VanDerWaalsContact C-N 3.35Å; K39-D41 PolarHBondContact O-N 3.36Å; K39-A42 PolarHBondContact O-N 3.17Å; K39-L43 WeakPolarHBondContact O-CG 3.38Å; K39-L43 PolarHBondContact O-N 3.34Å; K39-D72 IonicContact NZ-OD1 3.94Å |
| 40 | R | 94.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 179.3 | -168.6 | -174.4 | -58.6 | 120.4 | -4.9 | 111.3 | I36 D37 L43 R44 D75 D77 Y81 | I36-R40 VanDerWaalsContact O-CB 3.26Å; I36-R40 WeakPolarHBondContact O-CB 3Å; I36-R40 PolarHBondContact O-N 3.39Å; D37-R40 PolarHBondContact O-N 3.13Å; D37-R40 IonicContact OD1-CZ 3.63Å; D37-R40 IonicContact OD1-NH1 3.33Å; D37-R40 PolarHBondContact OD1-NH1 3.4Å; R40-L43 PolarHBondContact O-N 2.95Å; R40-R44 WeakPolarHBondContact O-CB 3.15Å; R40-R44 PolarHBondContact O-N 2.68Å; R40-D75 IonicContact CZ-OD1 2.62Å; R40-D75 IonicContact CZ-OD2 2.81Å; R40-D75 IonicContact NE-OD1 3.09Å; R40-D75 IonicContact NE-OD2 3.86Å; R40-D75 PolarHBondContact NE-OD2 3.46Å; R40-D75 VanDerWaalsContact NE-OD2 3.14Å; R40-D75 IonicContact NH2-OD1 3.86Å; R40-D75 PolarHBondContact NH2-OD1 3.49Å; R40-D75 IonicContact NH2-OD2 3.65Å; R40-D77 HydrophobicContact CG-CB 4.01Å; R40-D77 IonicContact NE-OD2 2.82Å; R40-Y81 HydrophobicContact CG-CD2 4.28Å; R40-Y81 HydrophobicContact CG-CE2 3.85Å |
| 41 | D | 95.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.1 | -76.1 | -7.5 | 0 | 0 | 0 | 112.2 | D37 K39 R44 A45 | D37-D41 PolarHBondContact O-N 2.86Å; K39-D41 VanDerWaalsContact C-N 3.35Å; K39-D41 PolarHBondContact O-N 3.36Å; D41-R44 PolarHBondContact O-N 2.98Å; D41-R44 IonicContact OD1-CZ 3.6Å; D41-R44 IonicContact OD1-NH1 2.71Å; D41-R44 PolarHBondContact OD1-NH1 2.97Å; D41-R44 IonicContact OD1-NH2 2.69Å; D41-A45 PolarHBondContact O-N 3Å; D41-A45 VanDerWaalsContact O-N 3.08Å |
| 42 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R29 D38 K39 A45 L46 | R29-A42 HydrophobicContact CG-CB 4.45Å; D38-A42 WeakPolarHBondContact O-CB 3.46Å; D38-A42 PolarHBondContact O-N 3.44Å; K39-A42 PolarHBondContact O-N 3.17Å; A42-A45 PolarHBondContact O-N 3.45Å; A42-L46 WeakPolarHBondContact O-CG 3.11Å; A42-L46 PolarHBondContact O-N 3.27Å |
| 43 | L | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.2 | -73 | 172.7 | 0 | 0 | 0 | 112.5 | Y30 K39 R40 A45 L46 K47 I64 F65 V68 C78 Y81 | Y30-L43 HydrophobicContact CD2-CD1 4.34Å; Y30-L43 HydrophobicContact CD2-CD2 4.06Å; Y30-L43 HydrophobicContact CD2-CG 3.82Å; Y30-L43 HydrophobicContact CE2-CD1 3.76Å; Y30-L43 HydrophobicContact CE2-CD2 3.96Å; Y30-L43 HydrophobicContact CE2-CG 3.72Å; K39-L43 WeakPolarHBondContact O-CG 3.38Å; K39-L43 PolarHBondContact O-N 3.34Å; R40-L43 PolarHBondContact O-N 2.95Å; L43-A45 VanDerWaalsContact C-N 3.28Å; L43-A45 PolarHBondContact O-N 3.21Å; L43-L46 PolarHBondContact O-N 2.87Å; L43-K47 VanDerWaalsContact O-CB 3.32Å; L43-K47 WeakPolarHBondContact O-CB 3.28Å; L43-K47 PolarHBondContact O-N 3.33Å; L43-I64 HydrophobicContact CD2-CG2 3.8Å; L43-F65 HydrophobicContact CD2-CD1 3.76Å; L43-F65 HydrophobicContact CD2-CE1 3.82Å; L43-V68 HydrophobicContact CD1-CG1 4.17Å; L43-V68 HydrophobicContact CD1-CG2 3.72Å; L43-V68 HydrophobicContact CD2-CG2 3.91Å; L43-V68 HydrophobicContact CG-CG2 4.43Å; L43-C78 HydrophobicContact CD1-CB 3.7Å; L43-Y81 HydrophobicContact CB-CD2 4.3Å |
| 44 | R | 96.1 | Very high | 91.9 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.1 | -169.5 | -173.3 | -59.6 | 111.3 | 2.3 | 111.2 | R40 D41 A48 Y81 | R40-R44 WeakPolarHBondContact O-CB 3.15Å; R40-R44 PolarHBondContact O-N 2.68Å; D41-R44 PolarHBondContact O-N 2.98Å; D41-R44 IonicContact OD1-CZ 3.6Å; D41-R44 IonicContact OD1-NH1 2.71Å; D41-R44 PolarHBondContact OD1-NH1 2.97Å; D41-R44 IonicContact OD1-NH2 2.69Å; R44-A48 PolarHBondContact O-N 2.87Å; R44-Y81 HydrophobicContact CB-CD2 3.93Å; R44-Y81 HydrophobicContact CB-CE2 3.7Å; R44-Y81 HydrophobicContact CB-CG 4.47Å; R44-Y81 HydrophobicContact CG-CE1 4.24Å; R44-Y81 HydrophobicContact CG-CE2 4.05Å; R44-Y81 PolarHBondContact NE-OH 2.62Å; R44-Y81 PolarHBondContact NH2-OH 2.86Å |
| 45 | A | 95.4 | Very high | 91.9 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 28% | 0.281 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.8 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L26 D41 A42 L43 K47 A48 L49 | L26-A45 HydrophobicContact CD1-CB 3.71Å; L26-A45 HydrophobicContact CD2-CB 3.75Å; L26-A45 HydrophobicContact CG-CB 4.39Å; D41-A45 PolarHBondContact O-N 3Å; D41-A45 VanDerWaalsContact O-N 3.08Å; A42-A45 PolarHBondContact O-N 3.45Å; L43-A45 VanDerWaalsContact C-N 3.28Å; L43-A45 PolarHBondContact O-N 3.21Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-K47 PolarHBondContact O-N 3.44Å; A45-A48 WeakPolarHBondContact O-CB 3.2Å; A45-A48 PolarHBondContact O-N 3.43Å; A45-A48 VanDerWaalsContact O-N 3.11Å; A45-L49 WeakPolarHBondContact O-CG 3.42Å; A45-L49 PolarHBondContact O-N 3.49Å; A45-L49 VanDerWaalsContact O-N 3.07Å |
| 46 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.5 | -73 | 169.4 | 0 | 0 | 0 | 111.6 | V23 L26 V27 A42 L43 A48 L49 S50 A61 F65 | V23-L46 HydrophobicContact CG1-CD2 4.16Å; L26-L46 HydrophobicContact CB-CD1 4.47Å; L26-L46 HydrophobicContact CB-CD2 3.63Å; L26-L46 HydrophobicContact CB-CG 3.86Å; L26-L46 HydrophobicContact CD1-CD2 4.14Å; L26-L46 HydrophobicContact CD1-CG 4.36Å; V27-L46 HydrophobicContact CG2-CD2 4.22Å; A42-L46 WeakPolarHBondContact O-CG 3.11Å; A42-L46 PolarHBondContact O-N 3.27Å; L43-L46 PolarHBondContact O-N 2.87Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.21Å; L46-L49 PolarHBondContact O-N 2.98Å; L46-S50 PolarHBondContact O-N 3.15Å; L46-A61 HydrophobicContact CD1-CB 4.11Å; L46-A61 HydrophobicContact CD2-CB 4.04Å; L46-F65 HydrophobicContact CB-CE1 4.06Å; L46-F65 HydrophobicContact CB-CZ 3.8Å |
| 47 | K | 93.9 | Very high | 91.9 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.3 | -41 | 174 | 174.7 | -104.9 | 163.6 | 147.1 | 0 | 112 | L43 A45 L49 S50 Y81 E84 | L43-K47 VanDerWaalsContact O-CB 3.32Å; L43-K47 WeakPolarHBondContact O-CB 3.28Å; L43-K47 PolarHBondContact O-N 3.33Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-K47 PolarHBondContact O-N 3.44Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 3.23Å; K47-S50 WeakPolarHBondContact O-CB 3.31Å; K47-S50 PolarHBondContact O-N 3.03Å; K47-S50 PolarHBondContact O-OG 3.16Å; K47-Y81 HydrophobicContact CD-CD1 4.45Å; K47-E84 HydrophobicContact CD-CB 4.42Å; K47-E84 WeakPolarHBondContact CE-OE2 3.3Å; K47-E84 HydrophobicContact CG-CB 3.88Å; K47-E84 IonicContact NZ-OE2 3.57Å; K47-E84 PolarHBondContact NZ-OE2 2.96Å |
| 48 | A | 91.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 60% | 0.603 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.6 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | R44 A45 L46 | R44-A48 PolarHBondContact O-N 2.87Å; A45-A48 WeakPolarHBondContact O-CB 3.2Å; A45-A48 PolarHBondContact O-N 3.43Å; A45-A48 VanDerWaalsContact O-N 3.11Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.21Å |
| 49 | L | 91.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 18% | 0.183 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.7 | -18.5 | 178.3 | -62.9 | 175.7 | 0 | 0 | 0 | 113.5 | I22 V23 L26 A45 L46 K47 K51 K52 Y53 V57 | I22-L49 HydrophobicContact CG2-CD1 3.66Å; V23-L49 HydrophobicContact CG2-CD1 4.19Å; L26-L49 HydrophobicContact CD1-CD1 3.59Å; A45-L49 WeakPolarHBondContact O-CG 3.42Å; A45-L49 PolarHBondContact O-N 3.49Å; A45-L49 VanDerWaalsContact O-N 3.07Å; L46-L49 PolarHBondContact O-N 2.98Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 3.23Å; L49-K51 PolarHBondContact O-N 3.44Å; L49-K51 VanDerWaalsContact O-N 3.07Å; L49-K52 PolarHBondContact O-N 3.24Å; L49-Y53 HydrophobicContact CB-CD2 4.2Å; L49-Y53 HydrophobicContact CD2-CD2 3.83Å; L49-Y53 HydrophobicContact CD2-CE2 3.95Å; L49-Y53 HydrophobicContact CG-CD2 4.47Å; L49-Y53 PolarHBondContact O-N 2.87Å; L49-V57 HydrophobicContact CB-CG2 4.09Å |
| 50 | S | 89.8 | Confident | 91.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.6 | -173.4 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | L46 K47 R54 S88 | L46-S50 PolarHBondContact O-N 3.15Å; K47-S50 WeakPolarHBondContact O-CB 3.31Å; K47-S50 PolarHBondContact O-N 3.03Å; K47-S50 PolarHBondContact O-OG 3.16Å; S50-R54 WeakPolarHBondContact O-CA 3.33Å; S50-R54 WeakPolarHBondContact O-CB 3.31Å; S50-S88 WeakPolarHBondContact OG-CB 3.24Å; S50-S88 PolarHBondContact OG-OG 3.49Å |
| 51 | K | 84.9 | Confident | 91.6 | Very high | 79 Ų | 79 | 39.5 Ų | 39.5 | 34% | 0.343 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -41.1 | 175.3 | -65.9 | -171.2 | 175.6 | -166.4 | 0 | 112.9 | L49 V98 | L49-K51 PolarHBondContact O-N 3.44Å; L49-K51 VanDerWaalsContact O-N 3.07Å; K51-V98 HydrophobicContact CB-CG2 4.49Å |
| 52 | K | 83.4 | Confident | 91.6 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -43.9 | -173.2 | -176.2 | 174.9 | 178.6 | 178.8 | 0 | 112.4 | L49 | L49-K52 PolarHBondContact O-N 3.24Š|
| 53 | Y | 86.3 | Confident | 91.4 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 15% | 0.145 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -110.2 | 52.4 | -179.6 | -59.3 | -74.2 | 0 | 0 | 0 | 109.6 | G19 L49 L55 E56 V57 | G19-Y53 VanDerWaalsContact CA-CE1 3.44Å; L49-Y53 HydrophobicContact CB-CD2 4.2Å; L49-Y53 HydrophobicContact CD2-CD2 3.83Å; L49-Y53 HydrophobicContact CD2-CE2 3.95Å; L49-Y53 HydrophobicContact CG-CD2 4.47Å; L49-Y53 PolarHBondContact O-N 2.87Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-L55 PolarHBondContact O-N 3.21Å; Y53-E56 VanDerWaalsContact C-OE2 3.31Å; Y53-E56 WeakPolarHBondContact CA-OE2 3.45Å; Y53-E56 PolarHBondContact O-N 3.47Å; Y53-V57 WeakPolarHBondContact O-CB 3.39Å; Y53-V57 VanDerWaalsContact O-CG2 3.25Å; Y53-V57 WeakPolarHBondContact O-CG2 3.29Å; Y53-V57 PolarHBondContact O-N 3.38Å |
| 54 | R | 88.1 | Confident | 91.4 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | -167.1 | -171 | 174.1 | 171.9 | -149.6 | -5 | 112.5 | S50 G58 S88 V89 N91 D92 L110 | S50-R54 WeakPolarHBondContact O-CA 3.33Å; S50-R54 WeakPolarHBondContact O-CB 3.31Å; R54-G58 PolarHBondContact O-N 2.93Å; R54-S88 PolarHBondContact NE-O 3.33Å; R54-S88 VanDerWaalsContact NE-O 3.14Å; R54-V89 PolarHBondContact NE-O 3.45Å; R54-V89 PolarHBondContact NH2-O 3.11Å; R54-N91 VanDerWaalsContact NH2-C 3.29Å; R54-N91 PolarHBondContact NH2-O 3.31Å; R54-D92 IonicContact CZ-OD1 2.81Å; R54-D92 IonicContact NH1-OD1 3.16Å; R54-D92 PolarHBondContact NH1-OD1 3.34Å; R54-D92 IonicContact NH2-OD1 3.77Å; R54-D92 PolarHBondContact NH2-OD1 2.81Å; R54-L110 HydrophobicContact CG-CD2 4.23Å |
| 55 | L | 88.8 | Confident | 91.3 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.5 | -48.5 | 178.3 | -179.5 | 63.3 | 0 | 0 | 0 | 111.1 | Y53 G58 T59 L110 F114 | Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-L55 PolarHBondContact O-N 3.21Å; L55-G58 PolarHBondContact O-N 2.91Å; L55-T59 HydrophobicContact CD1-CG2 4.27Å; L55-T59 WeakPolarHBondContact O-CB 3.3Å; L55-T59 VanDerWaalsContact O-CG2 3.29Å; L55-T59 WeakPolarHBondContact O-CG2 3.5Å; L55-T59 PolarHBondContact O-N 3.46Å; L55-T59 PolarHBondContact O-OG1 3.42Å; L55-L110 HydrophobicContact CB-CD2 4.2Å; L55-L110 HydrophobicContact CD1-CD1 3.76Å; L55-L110 HydrophobicContact CD1-CD2 4.28Å; L55-F114 HydrophobicContact CD1-CZ 4.33Å |
| 56 | E | 90.2 | Very high | 91.3 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -46.4 | -178.7 | -62.9 | 69.6 | -153.6 | 0 | 0 | 110.8 | A20 V23 Y53 G58 T59 Q60 | A20-E56 HydrophobicContact CB-CG 4.07Å; V23-E56 HydrophobicContact CB-CB 4.38Å; V23-E56 HydrophobicContact CG1-CB 4.4Å; V23-E56 HydrophobicContact CG2-CB 4.17Å; Y53-E56 VanDerWaalsContact C-OE2 3.31Å; Y53-E56 WeakPolarHBondContact CA-OE2 3.45Å; Y53-E56 PolarHBondContact O-N 3.47Å; E56-G58 PolarHBondContact O-N 2.92Å; E56-T59 WeakPolarHBondContact CA-OG1 3.42Å; E56-T59 PolarHBondContact O-N 2.86Å; E56-T59 PolarHBondContact O-OG1 2.59Å; E56-T59 VanDerWaalsContact O-OG1 3.07Å; E56-Q60 WeakPolarHBondContact O-CB 3.22Å; E56-Q60 PolarHBondContact O-N 3.28Å |
| 57 | V | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | V23 L49 Y53 A61 M62 F65 V89 | V23-V57 HydrophobicContact CG1-CG2 4.15Å; V23-V57 HydrophobicContact CG2-CG2 3.73Å; L49-V57 HydrophobicContact CB-CG2 4.09Å; Y53-V57 WeakPolarHBondContact O-CB 3.39Å; Y53-V57 VanDerWaalsContact O-CG2 3.25Å; Y53-V57 WeakPolarHBondContact O-CG2 3.29Å; Y53-V57 PolarHBondContact O-N 3.38Å; V57-A61 HydrophobicContact CG1-CB 4Å; V57-A61 WeakPolarHBondContact O-CA 3.26Å; V57-A61 VanDerWaalsContact O-CB 3.27Å; V57-A61 WeakPolarHBondContact O-CB 3.49Å; V57-A61 PolarHBondContact O-N 3.25Å; V57-M62 PolarHBondContact O-N 3.01Å; V57-F65 HydrophobicContact CG1-CE2 3.85Å; V57-F65 HydrophobicContact CG1-CZ 4.25Å; V57-V89 HydrophobicContact CB-CG2 4.41Å; V57-V89 HydrophobicContact CG1-CG2 3.92Å |
| 58 | G | 91.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R54 L55 E56 M62 V89 F114 | R54-G58 PolarHBondContact O-N 2.93Å; L55-G58 PolarHBondContact O-N 2.91Å; E56-G58 PolarHBondContact O-N 2.92Å; G58-M62 WeakPolarHBondContact O-CB 3.18Å; G58-V89 VanDerWaalsContact CA-CG1 3.42Å; G58-F114 VanDerWaalsContact CA-CZ 3.43Å; G58-F114 WeakPolarHBondContact O-CE1 3.23Å |
| 59 | T | 91.7 | Very high | 91.3 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 44% | 0.442 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -74.5 | -38.8 | 178.3 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | L55 E56 F114 | L55-T59 HydrophobicContact CD1-CG2 4.27Å; L55-T59 WeakPolarHBondContact O-CB 3.3Å; L55-T59 VanDerWaalsContact O-CG2 3.29Å; L55-T59 WeakPolarHBondContact O-CG2 3.5Å; L55-T59 PolarHBondContact O-N 3.46Å; L55-T59 PolarHBondContact O-OG1 3.42Å; E56-T59 WeakPolarHBondContact CA-OG1 3.42Å; E56-T59 PolarHBondContact O-N 2.86Å; E56-T59 PolarHBondContact O-OG1 2.59Å; E56-T59 VanDerWaalsContact O-OG1 3.07Å; T59-F114 HydrophobicContact CG2-CE1 4.07Å; T59-F114 HydrophobicContact CG2-CZ 4.18Å |
| 60 | Q | 92 | Very high | 91.3 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 29% | 0.29 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -101.4 | -41.6 | -173.2 | -56.8 | -179.8 | 23.4 | 0 | 0 | 113.8 | V23 V27 E56 | V23-Q60 HydrophobicContact CG1-CB 4.39Å; V27-Q60 HydrophobicContact CG2-CB 4.09Å; E56-Q60 WeakPolarHBondContact O-CB 3.22Å; E56-Q60 PolarHBondContact O-N 3.28Å |
| 61 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -14.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V27 L46 V57 I63 I64 F65 | V27-A61 HydrophobicContact CG2-CB 4.13Å; L46-A61 HydrophobicContact CD1-CB 4.11Å; L46-A61 HydrophobicContact CD2-CB 4.04Å; V57-A61 HydrophobicContact CG1-CB 4Å; V57-A61 WeakPolarHBondContact O-CA 3.26Å; V57-A61 VanDerWaalsContact O-CB 3.27Å; V57-A61 WeakPolarHBondContact O-CB 3.49Å; V57-A61 PolarHBondContact O-N 3.25Å; A61-I63 VanDerWaalsContact C-N 3.25Å; A61-I63 PolarHBondContact O-N 3.03Å; A61-I64 WeakPolarHBondContact O-CA 3.48Å; A61-I64 WeakPolarHBondContact O-CB 3.36Å; A61-I64 PolarHBondContact O-N 3.38Å; A61-F65 HydrophobicContact CB-CE2 4.12Å; A61-F65 HydrophobicContact CB-CZ 4.3Å; A61-F65 WeakPolarHBondContact O-CD2 3.28Å; A61-F65 PolarHBondContact O-N 3.13Å |
| 62 | M | 93.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.044 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -35.1 | 179.1 | -172.1 | 176.3 | 76.6 | 0 | 0 | 112.9 | V57 G58 I64 F65 S66 L86 M90 F114 M117 | V57-M62 PolarHBondContact O-N 3.01Å; G58-M62 WeakPolarHBondContact O-CB 3.18Å; M62-I64 VanDerWaalsContact C-N 3.33Å; M62-F65 PolarHBondContact O-N 3.12Å; M62-S66 WeakPolarHBondContact O-CB 3.44Å; M62-S66 PolarHBondContact O-N 2.7Å; M62-S66 PolarHBondContact O-OG 3.35Å; M62-L86 HydrophobicContact CG-CD2 3.6Å; M62-M90 HydrophobicContact CG-CE 4.25Å; M62-M90 HydrophobicContact SD-CE 3.63Å; M62-F114 HydrophobicContact CE-CD1 4.37Å; M62-F114 HydrophobicContact SD-CB 4Å; M62-F114 HydrophobicContact SD-CD1 4.14Å; M62-F114 HydrophobicContact SD-CG 4.37Å; M62-M117 HydrophobicContact CE-CB 3.48Å; M62-M117 VanDerWaalsContact CE-CB 3.48Å; M62-M117 HydrophobicContact CE-CE 4.1Å; M62-M117 HydrophobicContact CE-SD 4.41Å |
| 63 | I | 92.7 | Very high | 91.6 | Very high | 124 Ų | 124 | 39.8 Ų | 39.8 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.7 | -40.9 | 174.5 | -62.4 | 173 | 0 | 0 | 0 | 110.1 | A61 S66 S67 | A61-I63 VanDerWaalsContact C-N 3.25Å; A61-I63 PolarHBondContact O-N 3.03Å; I63-S66 PolarHBondContact O-N 3.39Å; I63-S67 WeakPolarHBondContact O-CB 3.45Å; I63-S67 PolarHBondContact O-N 2.89Å |
| 64 | I | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -52.3 | 175.3 | -74.4 | 166.8 | 0 | 0 | 0 | 110.3 | V27 Y30 Q31 L43 A61 M62 S66 S67 V68 | V27-I64 HydrophobicContact CB-CD1 4.04Å; V27-I64 HydrophobicContact CG1-CD1 3.68Å; V27-I64 HydrophobicContact CG2-CD1 4Å; Y30-I64 HydrophobicContact CD1-CB 4.29Å; Y30-I64 HydrophobicContact CD1-CD1 3.91Å; Y30-I64 HydrophobicContact CD1-CG1 3.89Å; Y30-I64 HydrophobicContact CD1-CG2 3.44Å; Y30-I64 VanDerWaalsContact CD1-CG2 3.44Å; Y30-I64 HydrophobicContact CD2-CG2 4.17Å; Y30-I64 HydrophobicContact CE1-CB 4.4Å; Y30-I64 HydrophobicContact CE1-CG1 4.26Å; Y30-I64 HydrophobicContact CE1-CG2 3.47Å; Y30-I64 VanDerWaalsContact CE1-CG2 3.47Å; Y30-I64 HydrophobicContact CE2-CG2 4.18Å; Y30-I64 HydrophobicContact CG-CD1 4.39Å; Y30-I64 HydrophobicContact CG-CG2 3.82Å; Q31-I64 HydrophobicContact CG-CD1 4.28Å; L43-I64 HydrophobicContact CD2-CG2 3.8Å; A61-I64 WeakPolarHBondContact O-CA 3.48Å; A61-I64 WeakPolarHBondContact O-CB 3.36Å; A61-I64 PolarHBondContact O-N 3.38Å; M62-I64 VanDerWaalsContact C-N 3.33Å; I64-S66 VanDerWaalsContact C-N 3.28Å; I64-S66 PolarHBondContact O-N 2.76Å; I64-S67 WeakPolarHBondContact CA-OG 3.47Å; I64-S67 WeakPolarHBondContact O-CA 3.37Å; I64-S67 WeakPolarHBondContact O-CB 3.24Å; I64-S67 PolarHBondContact O-N 3.32Å; I64-S67 PolarHBondContact O-OG 2.97Å; I64-V68 HydrophobicContact CG2-CG2 4.33Å; I64-V68 WeakPolarHBondContact O-CG2 3.32Å; I64-V68 PolarHBondContact O-N 3.3Å |
| 65 | F | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.8 | -44 | 178.7 | -61.7 | -41 | 0 | 0 | 0 | 111.7 | L43 L46 V57 A61 M62 S67 V68 L69 A82 L86 | L43-F65 HydrophobicContact CD2-CD1 3.76Å; L43-F65 HydrophobicContact CD2-CE1 3.82Å; L46-F65 HydrophobicContact CB-CE1 4.06Å; L46-F65 HydrophobicContact CB-CZ 3.8Å; V57-F65 HydrophobicContact CG1-CE2 3.85Å; V57-F65 HydrophobicContact CG1-CZ 4.25Å; A61-F65 HydrophobicContact CB-CE2 4.12Å; A61-F65 HydrophobicContact CB-CZ 4.3Å; A61-F65 WeakPolarHBondContact O-CD2 3.28Å; A61-F65 PolarHBondContact O-N 3.13Å; M62-F65 PolarHBondContact O-N 3.12Å; F65-S67 VanDerWaalsContact C-N 3.29Å; F65-S67 PolarHBondContact O-N 3.16Å; F65-V68 PolarHBondContact O-N 2.98Å; F65-L69 WeakPolarHBondContact O-CG 3.45Å; F65-L69 PolarHBondContact O-N 3.06Å; F65-A82 HydrophobicContact CB-CB 4.04Å; F65-A82 HydrophobicContact CD1-CB 4.12Å; F65-A82 HydrophobicContact CG-CB 4.47Å; F65-L86 HydrophobicContact CB-CD1 4.13Å; F65-L86 HydrophobicContact CB-CD2 3.85Å; F65-L86 HydrophobicContact CB-CG 3.68Å; F65-L86 HydrophobicContact CD2-CD2 4.35Å; F65-L86 HydrophobicContact CD2-CG 4.35Å; F65-L86 HydrophobicContact CG-CG 4.39Å |
| 66 | S | 93.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | M62 I63 I64 Y118 | M62-S66 WeakPolarHBondContact O-CB 3.44Å; M62-S66 PolarHBondContact O-N 2.7Å; M62-S66 PolarHBondContact O-OG 3.35Å; I63-S66 PolarHBondContact O-N 3.39Å; I64-S66 VanDerWaalsContact C-N 3.28Å; I64-S66 PolarHBondContact O-N 2.76Å; S66-Y118 WeakPolarHBondContact OG-CE2 3.47Å |
| 67 | S | 93 | Very high | 92.4 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.4 | -40.2 | 176.6 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | I63 I64 F65 L69 K70 T71 | I63-S67 WeakPolarHBondContact O-CB 3.45Å; I63-S67 PolarHBondContact O-N 2.89Å; I64-S67 WeakPolarHBondContact CA-OG 3.47Å; I64-S67 WeakPolarHBondContact O-CA 3.37Å; I64-S67 WeakPolarHBondContact O-CB 3.24Å; I64-S67 PolarHBondContact O-N 3.32Å; I64-S67 PolarHBondContact O-OG 2.97Å; F65-S67 VanDerWaalsContact C-N 3.29Å; F65-S67 PolarHBondContact O-N 3.16Å; S67-L69 VanDerWaalsContact C-N 3.29Å; S67-L69 PolarHBondContact O-N 3.06Å; S67-K70 WeakPolarHBondContact O-CA 3.34Å; S67-K70 WeakPolarHBondContact O-CB 3.27Å; S67-K70 PolarHBondContact O-N 3.43Å; S67-T71 PolarHBondContact O-N 3.42Å; S67-T71 PolarHBondContact O-OG1 3.33Å |
| 68 | V | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.6 | -44.5 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y30 L43 I64 F65 K70 T71 D72 C78 A82 | Y30-V68 HydrophobicContact CE2-CG2 4.04Å; Y30-V68 WeakPolarHBondContact OH-CG2 3.35Å; L43-V68 HydrophobicContact CD1-CG1 4.17Å; L43-V68 HydrophobicContact CD1-CG2 3.72Å; L43-V68 HydrophobicContact CD2-CG2 3.91Å; L43-V68 HydrophobicContact CG-CG2 4.43Å; I64-V68 HydrophobicContact CG2-CG2 4.33Å; I64-V68 WeakPolarHBondContact O-CG2 3.32Å; I64-V68 PolarHBondContact O-N 3.3Å; F65-V68 PolarHBondContact O-N 2.98Å; V68-K70 PolarHBondContact O-N 3.48Å; V68-K70 VanDerWaalsContact O-N 3.15Å; V68-T71 PolarHBondContact O-N 3.16Å; V68-D72 HydrophobicContact CG1-CB 4.34Å; V68-D72 CarbonylContact O-C 3.26Å; V68-D72 PolarHBondContact O-N 3.23Å; V68-C78 HydrophobicContact CG1-CB 3.85Å; V68-A82 HydrophobicContact CB-CB 3.91Å; V68-A82 HydrophobicContact CG1-CB 3.81Å |
| 69 | L | 94.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -20.1 | 178.4 | -57.6 | -176.9 | 0 | 0 | 0 | 113.3 | F65 S67 V79 A82 L83 L86 I127 L128 L131 | F65-L69 WeakPolarHBondContact O-CG 3.45Å; F65-L69 PolarHBondContact O-N 3.06Å; S67-L69 VanDerWaalsContact C-N 3.29Å; S67-L69 PolarHBondContact O-N 3.06Å; L69-V79 HydrophobicContact CD2-CG1 3.91Å; L69-A82 HydrophobicContact CD2-CB 3.88Å; L69-A82 HydrophobicContact CG-CB 4.31Å; L69-L83 HydrophobicContact CD1-CD2 3.89Å; L69-L83 HydrophobicContact CD2-CD2 4Å; L69-L83 HydrophobicContact CD2-CG 3.89Å; L69-L86 HydrophobicContact CD1-CD1 3.68Å; L69-I127 HydrophobicContact CB-CG2 3.9Å; L69-I127 WeakPolarHBondContact O-CG2 3.41Å; L69-L128 HydrophobicContact CD1-CD2 4.16Å; L69-L131 HydrophobicContact CD2-CD1 4.09Å |
| 70 | K | 91.8 | Very high | 93 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -92.7 | -45.4 | 177.3 | -66.8 | -175.3 | -173.6 | -157.1 | 0 | 112.7 | S67 V68 N121 E123 N124 I127 | S67-K70 WeakPolarHBondContact O-CA 3.34Å; S67-K70 WeakPolarHBondContact O-CB 3.27Å; S67-K70 PolarHBondContact O-N 3.43Å; V68-K70 PolarHBondContact O-N 3.48Å; V68-K70 VanDerWaalsContact O-N 3.15Å; K70-N121 PolarHBondContact NZ-ND2 2.91Å; K70-E123 IonicContact NZ-OE2 2.71Å; K70-E123 PolarHBondContact NZ-OE2 3.23Å; K70-N124 WeakPolarHBondContact CE-OD1 3.16Å; K70-I127 HydrophobicContact CD-CD1 3.95Å; K70-I127 VanDerWaalsContact CE-CD1 3.42Å; K70-I127 HydrophobicContact CG-CD1 3.42Å; K70-I127 VanDerWaalsContact CG-CD1 3.42Å |
| 71 | T | 90.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -99.3 | -39.9 | -166.6 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | S67 V68 | S67-T71 PolarHBondContact O-N 3.42Å; S67-T71 PolarHBondContact O-OG1 3.33Å; V68-T71 PolarHBondContact O-N 3.16Å |
| 72 | D | 87.3 | Confident | 93.3 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | trans | -109.7 | 34.5 | -170.6 | -58.3 | -68.6 | 0 | 0 | 0 | 110.7 | Y30 K39 V68 E74 D75 | Y30-D72 PolarHBondContact OH-OD2 3.35Å; K39-D72 IonicContact NZ-OD1 3.94Å; V68-D72 HydrophobicContact CG1-CB 4.34Å; V68-D72 CarbonylContact O-C 3.26Å; V68-D72 PolarHBondContact O-N 3.23Å; D72-E74 PolarHBondContact O-N 2.71Å; D72-D75 PolarHBondContact O-N 2.61Å; D72-D75 VanDerWaalsContact O-N 3.14Å | ||
| 73 | W | 86.5 | Confident | 93.5 | Very high | 158 Ų | 158 | 42.1 Ų | 42.1 | 60% | 0.598 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.5 | -175.4 | 64.8 | -93.6 | 0 | 0 | 0 | 113.9 | ||
| 74 | E | 88.3 | Confident | 93.6 | Very high | 158 Ų | 158 | 38.3 Ų | 38.3 | 74% | 0.738 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -21.4 | 176.1 | -62.4 | -178.5 | 171.2 | 0 | 0 | 113.1 | D72 | D72-E74 PolarHBondContact O-N 2.71Š|
| 75 | D | 93.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 38 Ų | 38 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | trans | -96 | 97.3 | 179.6 | -169 | 78.5 | 0 | 0 | 0 | 111.1 | I36 R40 D72 D77 C78 V79 | I36-D75 HydrophobicContact CD1-CB 4.32Å; I36-D75 HydrophobicContact CG1-CB 4.37Å; R40-D75 IonicContact CZ-OD1 2.62Å; R40-D75 IonicContact CZ-OD2 2.81Å; R40-D75 IonicContact NE-OD1 3.09Å; R40-D75 IonicContact NE-OD2 3.86Å; R40-D75 PolarHBondContact NE-OD2 3.46Å; R40-D75 VanDerWaalsContact NE-OD2 3.14Å; R40-D75 IonicContact NH2-OD1 3.86Å; R40-D75 PolarHBondContact NH2-OD1 3.49Å; R40-D75 IonicContact NH2-OD2 3.65Å; D72-D75 PolarHBondContact O-N 2.61Å; D72-D75 VanDerWaalsContact O-N 3.14Å; D75-D77 PolarHBondContact O-N 3.35Å; D75-D77 VanDerWaalsContact O-N 3.12Å; D75-C78 HydrophobicContact CB-CB 4.07Å; D75-C78 PolarHBondContact O-N 3.38Å; D75-C78 VanDerWaalsContact O-N 3.09Å; D75-C78 WeakPolarHBondContact OD2-CB 3.28Å; D75-C78 PolarHBondContact OD2-N 3.04Å; D75-C78 PolarHBondContact OD2-SG 3.24Å; D75-V79 WeakPolarHBondContact O-CG2 3.47Å; D75-V79 PolarHBondContact O-N 3.18Å | ||
| 76 | S | 94.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.1 | -34.6 | -176 | -53 | 0 | 0 | 0 | 0 | 113.6 | C80 E136 | S76-C80 VanDerWaalsContact O-CB 3.22Å; S76-C80 WeakPolarHBondContact O-CB 3.48Å; S76-C80 PolarHBondContact O-N 3.29Å; S76-E136 PolarHBondContact OG-OE1 2.9Å |
| 77 | D | 94.8 | Very high | 93.7 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.2 | -47.6 | 177.1 | -76.5 | -26.7 | 0 | 0 | 0 | 112.2 | R40 D75 V79 C80 Y81 | R40-D77 HydrophobicContact CG-CB 4.01Å; R40-D77 IonicContact NE-OD2 2.82Å; D75-D77 PolarHBondContact O-N 3.35Å; D75-D77 VanDerWaalsContact O-N 3.12Å; D77-V79 VanDerWaalsContact C-N 3.35Å; D77-V79 PolarHBondContact O-N 3.45Å; D77-C80 WeakPolarHBondContact O-CB 3.47Å; D77-C80 PolarHBondContact O-N 2.89Å; D77-Y81 HydrophobicContact CB-CE2 4.24Å; D77-Y81 VanDerWaalsContact O-CD2 3.26Å; D77-Y81 WeakPolarHBondContact O-CD2 3.46Å; D77-Y81 VanDerWaalsContact O-CG 3.29Å; D77-Y81 PolarHBondContact O-N 3.12Å |
| 78 | C | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.4 | -72.7 | 0 | 0 | 0 | 0 | 111.3 | L43 V68 D75 C80 Y81 A82 | L43-C78 HydrophobicContact CD1-CB 3.7Å; V68-C78 HydrophobicContact CG1-CB 3.85Å; D75-C78 HydrophobicContact CB-CB 4.07Å; D75-C78 PolarHBondContact O-N 3.38Å; D75-C78 VanDerWaalsContact O-N 3.09Å; D75-C78 WeakPolarHBondContact OD2-CB 3.28Å; D75-C78 PolarHBondContact OD2-N 3.04Å; D75-C78 PolarHBondContact OD2-SG 3.24Å; C78-C80 VanDerWaalsContact C-N 3.33Å; C78-C80 PolarHBondContact O-N 3.25Å; C78-Y81 PolarHBondContact O-N 3.14Å; C78-A82 WeakPolarHBondContact O-CB 3.27Å; C78-A82 PolarHBondContact O-N 2.97Å |
| 79 | V | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | L69 D75 D77 A82 L83 L131 I139 | L69-V79 HydrophobicContact CD2-CG1 3.91Å; D75-V79 WeakPolarHBondContact O-CG2 3.47Å; D75-V79 PolarHBondContact O-N 3.18Å; D77-V79 VanDerWaalsContact C-N 3.35Å; D77-V79 PolarHBondContact O-N 3.45Å; V79-A82 PolarHBondContact O-N 3.01Å; V79-L83 HydrophobicContact CG1-CD1 4.05Å; V79-L83 HydrophobicContact CG1-CG 4.48Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.11Å; V79-L131 HydrophobicContact CG1-CD1 4.34Å; V79-L131 HydrophobicContact CG1-CD2 4.01Å; V79-I139 HydrophobicContact CG1-CD1 4.4Å; V79-I139 HydrophobicContact CG1-CG2 3.91Å |
| 80 | C | 96 | Very high | 93.5 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 112 | S76 D77 C78 A82 L83 E84 F138 N142 | S76-C80 VanDerWaalsContact O-CB 3.22Å; S76-C80 WeakPolarHBondContact O-CB 3.48Å; S76-C80 PolarHBondContact O-N 3.29Å; D77-C80 WeakPolarHBondContact O-CB 3.47Å; D77-C80 PolarHBondContact O-N 2.89Å; C78-C80 VanDerWaalsContact C-N 3.33Å; C78-C80 PolarHBondContact O-N 3.25Å; C80-A82 VanDerWaalsContact C-N 3.3Å; C80-A82 PolarHBondContact O-N 3.29Å; C80-L83 PolarHBondContact O-N 3.31Å; C80-E84 WeakPolarHBondContact O-CB 3.31Å; C80-E84 WeakPolarHBondContact O-CG 3.24Å; C80-E84 PolarHBondContact O-N 3.18Å; C80-F138 HydrophobicContact CB-CD2 4.05Å; C80-F138 HydrophobicContact CB-CE2 3.87Å; C80-N142 PolarHBondContact SG-ND2 3Å; C80-N142 VanDerWaalsContact SG-ND2 3.42Å |
| 81 | Y | 96.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 35 Ų | 35 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 179.2 | -60.5 | -31.4 | 0 | 0 | 0 | 112.6 | R40 L43 R44 K47 D77 C78 G85 | R40-Y81 HydrophobicContact CG-CD2 4.28Å; R40-Y81 HydrophobicContact CG-CE2 3.85Å; L43-Y81 HydrophobicContact CB-CD2 4.3Å; R44-Y81 HydrophobicContact CB-CD2 3.93Å; R44-Y81 HydrophobicContact CB-CE2 3.7Å; R44-Y81 HydrophobicContact CB-CG 4.47Å; R44-Y81 HydrophobicContact CG-CE1 4.24Å; R44-Y81 HydrophobicContact CG-CE2 4.05Å; R44-Y81 PolarHBondContact NE-OH 2.62Å; R44-Y81 PolarHBondContact NH2-OH 2.86Å; K47-Y81 HydrophobicContact CD-CD1 4.45Å; D77-Y81 HydrophobicContact CB-CE2 4.24Å; D77-Y81 VanDerWaalsContact O-CD2 3.26Å; D77-Y81 WeakPolarHBondContact O-CD2 3.46Å; D77-Y81 VanDerWaalsContact O-CG 3.29Å; D77-Y81 PolarHBondContact O-N 3.12Å; C78-Y81 PolarHBondContact O-N 3.14Å; Y81-G85 PolarHBondContact O-N 3.12Å |
| 82 | A | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F65 V68 L69 C78 V79 C80 G85 L86 | F65-A82 HydrophobicContact CB-CB 4.04Å; F65-A82 HydrophobicContact CD1-CB 4.12Å; F65-A82 HydrophobicContact CG-CB 4.47Å; V68-A82 HydrophobicContact CB-CB 3.91Å; V68-A82 HydrophobicContact CG1-CB 3.81Å; L69-A82 HydrophobicContact CD2-CB 3.88Å; L69-A82 HydrophobicContact CG-CB 4.31Å; C78-A82 WeakPolarHBondContact O-CB 3.27Å; C78-A82 PolarHBondContact O-N 2.97Å; V79-A82 PolarHBondContact O-N 3.01Å; C80-A82 VanDerWaalsContact C-N 3.3Å; C80-A82 PolarHBondContact O-N 3.29Å; A82-G85 PolarHBondContact O-N 3.46Å; A82-L86 VanDerWaalsContact O-CG 3.3Å; A82-L86 WeakPolarHBondContact O-CG 3.33Å; A82-L86 PolarHBondContact O-N 3.05Å |
| 83 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.6 | -70.2 | 170 | 0 | 0 | 0 | 111.9 | L69 V79 C80 G85 L86 Y87 L128 L131 I139 N142 A143 L146 | L69-L83 HydrophobicContact CD1-CD2 3.89Å; L69-L83 HydrophobicContact CD2-CD2 4Å; L69-L83 HydrophobicContact CD2-CG 3.89Å; V79-L83 HydrophobicContact CG1-CD1 4.05Å; V79-L83 HydrophobicContact CG1-CG 4.48Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.11Å; C80-L83 PolarHBondContact O-N 3.31Å; L83-G85 VanDerWaalsContact C-N 3.35Å; L83-L86 PolarHBondContact O-N 3.34Å; L83-Y87 VanDerWaalsContact O-CB 3.29Å; L83-Y87 WeakPolarHBondContact O-CB 3.23Å; L83-Y87 PolarHBondContact O-N 2.97Å; L83-L128 HydrophobicContact CD2-CD2 3.67Å; L83-L131 HydrophobicContact CD1-CD1 4.31Å; L83-L131 HydrophobicContact CD2-CD1 4.09Å; L83-I139 HydrophobicContact CD1-CG2 4.14Å; L83-N142 HydrophobicContact CB-CB 3.8Å; L83-N142 HydrophobicContact CD1-CB 3.83Å; L83-N142 HydrophobicContact CG-CB 4.45Å; L83-A143 HydrophobicContact CD1-CB 4.37Å; L83-L146 HydrophobicContact CD2-CD2 3.95Å |
| 84 | E | 95.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 29.4 Ų | 29.4 | 21% | 0.21 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -35.2 | 178.6 | -71.1 | -177.5 | 161.4 | 0 | 0 | 112.6 | K47 C80 S88 | K47-E84 HydrophobicContact CD-CB 4.42Å; K47-E84 WeakPolarHBondContact CE-OE2 3.3Å; K47-E84 HydrophobicContact CG-CB 3.88Å; K47-E84 IonicContact NZ-OE2 3.57Å; K47-E84 PolarHBondContact NZ-OE2 2.96Å; C80-E84 WeakPolarHBondContact O-CB 3.31Å; C80-E84 WeakPolarHBondContact O-CG 3.24Å; C80-E84 PolarHBondContact O-N 3.18Å; E84-S88 WeakPolarHBondContact O-CB 3.29Å; E84-S88 PolarHBondContact O-N 3.03Å; E84-S88 PolarHBondContact O-OG 3.04Å |
| 85 | G | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -49.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y81 A82 L83 Y87 S88 V89 | Y81-G85 PolarHBondContact O-N 3.12Å; A82-G85 PolarHBondContact O-N 3.46Å; L83-G85 VanDerWaalsContact C-N 3.35Å; G85-Y87 PolarHBondContact O-N 3.39Å; G85-S88 PolarHBondContact O-N 3.28Å; G85-V89 WeakPolarHBondContact O-CG2 3.26Å; G85-V89 PolarHBondContact O-N 3.12Å |
| 86 | L | 96.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.3 | -70.8 | 169.2 | 0 | 0 | 0 | 111.7 | M62 F65 L69 A82 L83 S88 V89 M90 Y118 L146 | M62-L86 HydrophobicContact CG-CD2 3.6Å; F65-L86 HydrophobicContact CB-CD1 4.13Å; F65-L86 HydrophobicContact CB-CD2 3.85Å; F65-L86 HydrophobicContact CB-CG 3.68Å; F65-L86 HydrophobicContact CD2-CD2 4.35Å; F65-L86 HydrophobicContact CD2-CG 4.35Å; F65-L86 HydrophobicContact CG-CG 4.39Å; L69-L86 HydrophobicContact CD1-CD1 3.68Å; A82-L86 VanDerWaalsContact O-CG 3.3Å; A82-L86 WeakPolarHBondContact O-CG 3.33Å; A82-L86 PolarHBondContact O-N 3.05Å; L83-L86 PolarHBondContact O-N 3.34Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 2.95Å; L86-V89 PolarHBondContact O-N 3.2Å; L86-M90 HydrophobicContact CB-CE 4.38Å; L86-M90 HydrophobicContact CD2-CE 3.72Å; L86-M90 WeakPolarHBondContact O-CB 3.38Å; L86-M90 WeakPolarHBondContact O-CG 3.47Å; L86-M90 PolarHBondContact O-N 2.98Å; L86-Y118 HydrophobicContact CD1-CE2 3.89Å; L86-Y118 HydrophobicContact CD2-CD2 4.17Å; L86-Y118 HydrophobicContact CD2-CE2 4.09Å; L86-L146 HydrophobicContact CB-CD1 4.07Å; L86-L146 HydrophobicContact CB-CD2 3.85Å; L86-L146 HydrophobicContact CD1-CD2 3.93Å |
| 87 | Y | 95.2 | Very high | 85.4 | Confident | 42 Ų | 42 | 33.1 Ų | 33.1 | 17% | 0.165 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 177.4 | 176.4 | -93.5 | 0 | 0 | 0 | 111.7 | L83 G85 V89 M90 N91 R145 V149 | L83-Y87 VanDerWaalsContact O-CB 3.29Å; L83-Y87 WeakPolarHBondContact O-CB 3.23Å; L83-Y87 PolarHBondContact O-N 2.97Å; G85-Y87 PolarHBondContact O-N 3.39Å; Y87-V89 VanDerWaalsContact C-N 3.34Å; Y87-V89 PolarHBondContact O-N 2.88Å; Y87-M90 PolarHBondContact O-N 2.67Å; Y87-N91 HydrophobicContact CE1-CB 4.4Å; Y87-N91 HydrophobicContact CE2-CB 4.47Å; Y87-N91 VanDerWaalsContact CZ-ND2 3.31Å; Y87-N91 WeakPolarHBondContact O-CB 3.38Å; Y87-N91 PolarHBondContact O-N 3.36Å; Y87-N91 PolarHBondContact OH-ND2 2.86Å; Y87-R145 HydrophobicContact CD2-CB 3.98Å; Y87-R145 HydrophobicContact CE2-CB 3.85Å; Y87-R145 PolarHBondContact OH-NH2 3.46Å; Y87-V149 HydrophobicContact CD2-CG2 3.69Å; Y87-V149 HydrophobicContact CE2-CG2 3.36Å |
| 88 | S | 92.4 | Very high | 83.6 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.6 | -34.2 | -179.2 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | S50 R54 E84 G85 L86 | S50-S88 WeakPolarHBondContact OG-CB 3.24Å; S50-S88 PolarHBondContact OG-OG 3.49Å; R54-S88 PolarHBondContact NE-O 3.33Å; R54-S88 VanDerWaalsContact NE-O 3.14Å; E84-S88 WeakPolarHBondContact O-CB 3.29Å; E84-S88 PolarHBondContact O-N 3.03Å; E84-S88 PolarHBondContact O-OG 3.04Å; G85-S88 PolarHBondContact O-N 3.28Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 2.95Å |
| 89 | V | 92.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.7 | -34.6 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | R54 V57 G58 G85 L86 Y87 F114 | R54-V89 PolarHBondContact NE-O 3.45Å; R54-V89 PolarHBondContact NH2-O 3.11Å; V57-V89 HydrophobicContact CB-CG2 4.41Å; V57-V89 HydrophobicContact CG1-CG2 3.92Å; G58-V89 VanDerWaalsContact CA-CG1 3.42Å; G85-V89 WeakPolarHBondContact O-CG2 3.26Å; G85-V89 PolarHBondContact O-N 3.12Å; L86-V89 PolarHBondContact O-N 3.2Å; Y87-V89 VanDerWaalsContact C-N 3.34Å; Y87-V89 PolarHBondContact O-N 2.88Å; V89-F114 HydrophobicContact CG1-CB 3.95Å; V89-F114 HydrophobicContact CG1-CD1 4.26Å; V89-F114 HydrophobicContact CG1-CD2 3.2Å; V89-F114 HydrophobicContact CG1-CE2 3.62Å; V89-F114 HydrophobicContact CG1-CG 3.56Å; V89-F114 HydrophobicContact CG1-CZ 4.36Å |
| 90 | M | 93.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -93.1 | -19.7 | -175.9 | -65.6 | 174.1 | -165.6 | 0 | 0 | 114.3 | M62 L86 Y87 G111 F114 Y118 L146 V149 L150 N153 | M62-M90 HydrophobicContact CG-CE 4.25Å; M62-M90 HydrophobicContact SD-CE 3.63Å; L86-M90 HydrophobicContact CB-CE 4.38Å; L86-M90 HydrophobicContact CD2-CE 3.72Å; L86-M90 WeakPolarHBondContact O-CB 3.38Å; L86-M90 WeakPolarHBondContact O-CG 3.47Å; L86-M90 PolarHBondContact O-N 2.98Å; Y87-M90 PolarHBondContact O-N 2.67Å; M90-G111 CarbonylContact O-C 3.54Å; M90-G111 WeakPolarHBondContact O-CA 3.31Å; M90-F114 HydrophobicContact CG-CB 4.17Å; M90-Y118 HydrophobicContact CE-CD1 4.2Å; M90-Y118 HydrophobicContact CE-CD2 3.64Å; M90-Y118 HydrophobicContact CE-CE2 4.42Å; M90-Y118 HydrophobicContact CE-CG 3.49Å; M90-Y118 VanDerWaalsContact CE-CG 3.49Å; M90-Y118 HydrophobicContact SD-CG 4.34Å; M90-L146 HydrophobicContact SD-CD1 3.85Å; M90-V149 HydrophobicContact CB-CG1 3.83Å; M90-V149 WeakPolarHBondContact O-CG1 3.35Å; M90-L150 HydrophobicContact SD-CD2 3.81Å; M90-N153 PolarHBondContact O-ND2 2.9Å |
| 91 | N | 90.5 | Very high | 77.5 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | trans | -93.5 | 111.1 | -177.5 | -171.9 | 11.2 | 0 | 0 | 0 | 112.2 | R54 Y87 E93 A94 V149 | R54-N91 VanDerWaalsContact NH2-C 3.29Å; R54-N91 PolarHBondContact NH2-O 3.31Å; Y87-N91 HydrophobicContact CE1-CB 4.4Å; Y87-N91 HydrophobicContact CE2-CB 4.47Å; Y87-N91 VanDerWaalsContact CZ-ND2 3.31Å; Y87-N91 WeakPolarHBondContact O-CB 3.38Å; Y87-N91 PolarHBondContact O-N 3.36Å; Y87-N91 PolarHBondContact OH-ND2 2.86Å; N91-E93 VanDerWaalsContact C-N 3.34Å; N91-E93 PolarHBondContact O-N 3.11Å; N91-E93 PolarHBondContact OD1-N 2.99Å; N91-A94 HydrophobicContact CB-CB 4.03Å; N91-A94 PolarHBondContact O-N 3.49Å; N91-V149 HydrophobicContact CB-CG1 4.06Å; N91-V149 HydrophobicContact CB-CG2 3.85Å | ||
| 92 | D | 81.9 | Confident | 75.5 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -67.4 | -32.8 | 178 | -67.4 | -38.8 | 0 | 0 | 0 | 113 | R54 A94 G95 G111 | R54-D92 IonicContact CZ-OD1 2.81Å; R54-D92 IonicContact NH1-OD1 3.16Å; R54-D92 PolarHBondContact NH1-OD1 3.34Å; R54-D92 IonicContact NH2-OD1 3.77Å; R54-D92 PolarHBondContact NH2-OD1 2.81Å; D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 3.34Å; D92-G95 PolarHBondContact O-N 2.93Å; D92-G111 WeakPolarHBondContact OD1-CA 3.45Å; D92-G111 PolarHBondContact OD1-N 2.76Å; D92-G111 PolarHBondContact OD2-N 3.34Å |
| 93 | E | 73.1 | Confident | 73.5 | Confident | 104 Ų | 104 | 52.7 Ų | 52.7 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -70.2 | -25.1 | 178.9 | -63 | -174.8 | 163.4 | 0 | 0 | 112.9 | N91 G95 E96 | N91-E93 VanDerWaalsContact C-N 3.34Å; N91-E93 PolarHBondContact O-N 3.11Å; N91-E93 PolarHBondContact OD1-N 2.99Å; E93-G95 PolarHBondContact O-N 3.49Å; E93-G95 VanDerWaalsContact O-N 3.14Å; E93-E96 PolarHBondContact O-N 3.33Å; E93-E96 VanDerWaalsContact O-N 3.12Å |
| 94 | A | 59.1 | Low | 71.4 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -65.4 | -18.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N91 D92 | N91-A94 HydrophobicContact CB-CB 4.03Å; N91-A94 PolarHBondContact O-N 3.49Å; D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 3.34Å |
| 95 | G | 51.8 | Low | 69.4 | Low | 12 Ų | 12 | 60 Ų | 60 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -76.9 | -22.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D92 E93 Q97 V98 | D92-G95 PolarHBondContact O-N 2.93Å; E93-G95 PolarHBondContact O-N 3.49Å; E93-G95 VanDerWaalsContact O-N 3.14Å; G95-Q97 PolarHBondContact O-N 2.8Å; G95-Q97 VanDerWaalsContact O-N 3.09Å; G95-V98 WeakPolarHBondContact O-CB 3.34Å; G95-V98 PolarHBondContact O-N 2.96Å |
| 96 | E | 50.7 | Low | 67.9 | Low | 135 Ų | 135 | 62.4 Ų | 62.4 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.8 | -178.4 | -67 | -167.1 | 164.6 | 0 | 0 | 113.2 | E93 V98 | E93-E96 PolarHBondContact O-N 3.33Å; E93-E96 VanDerWaalsContact O-N 3.12Å; E96-V98 PolarHBondContact O-N 2.96Å |
| 97 | Q | 53.9 | Low | 66.5 | Low | 149 Ų | 149 | 64.7 Ų | 64.7 | 70% | 0.696 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.6 | 174.3 | -64.2 | -177.2 | -6.7 | 0 | 0 | 113.6 | G95 | G95-Q97 PolarHBondContact O-N 2.8Å; G95-Q97 VanDerWaalsContact O-N 3.09Å |
| 98 | V | 56.9 | Low | 65.3 | Low | 20 Ų | 20 | 69.4 Ų | 69.4 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -101.7 | 127.5 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | K51 G95 E96 E102 L103 | K51-V98 HydrophobicContact CB-CG2 4.49Å; G95-V98 WeakPolarHBondContact O-CB 3.34Å; G95-V98 PolarHBondContact O-N 2.96Å; E96-V98 PolarHBondContact O-N 2.96Å; V98-E102 HydrophobicContact CG1-CB 3.71Å; V98-L103 HydrophobicContact CB-CD2 3.96Å; V98-L103 HydrophobicContact CB-CG 4.34Å; V98-L103 HydrophobicContact CG1-CD2 3.76Å; V98-L103 HydrophobicContact CG1-CG 4.05Å |
| 99 | E | 51.2 | Low | 64.8 | Low | 122 Ų | 122 | 72.6 Ų | 72.6 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | trans | -55.3 | 136.8 | -178.1 | -77.4 | -115.5 | 167.2 | 0 | 0 | 110.4 | H101 E102 | E99-H101 WeakPolarHBondContact CB-CE1 3.49Å; E99-H101 VanDerWaalsContact CB-ND1 3.34Å; E99-H101 WeakPolarHBondContact CB-ND1 3.28Å; E99-H101 PolarHBondContact O-N 3.38Å; E99-H101 IonicContact OE2-CE1 3.98Å; E99-H101 PolarHBondContact OE2-CE1 3.21Å; E99-H101 IonicContact OE2-ND1 3.17Å; E99-H101 PolarHBondContact OE2-ND1 2.84Å; E99-E102 PolarHBondContact O-N 3.17Å | ||
| 100 | P | 55.3 | Low | 64.6 | Low | 108 Ų | 108 | 72.7 Ų | 72.7 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -23.3 | -173.4 | -26.8 | 32.5 | 0 | 0 | 0 | 114.6 | E102 | P100-E102 VanDerWaalsContact C-N 3.31Š|
| 101 | H | 53.7 | Low | 64.5 | Low | 134 Ų | 134 | 72.7 Ų | 72.7 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.5 | 178.5 | 68.7 | -96.6 | 0 | 0 | 0 | 114.1 | E99 | E99-H101 WeakPolarHBondContact CB-CE1 3.49Å; E99-H101 VanDerWaalsContact CB-ND1 3.34Å; E99-H101 WeakPolarHBondContact CB-ND1 3.28Å; E99-H101 PolarHBondContact O-N 3.38Å; E99-H101 IonicContact OE2-CE1 3.98Å; E99-H101 PolarHBondContact OE2-CE1 3.21Å; E99-H101 IonicContact OE2-ND1 3.17Å; E99-H101 PolarHBondContact OE2-ND1 2.84Å |
| 102 | E | 54.1 | Low | 64.6 | Low | 92 Ų | 92 | 73.9 Ų | 73.9 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -12.4 | 175.1 | -59.6 | -169.5 | 155.3 | 0 | 0 | 112.7 | V98 E99 P100 I104 | V98-E102 HydrophobicContact CG1-CB 3.71Å; E99-E102 PolarHBondContact O-N 3.17Å; P100-E102 VanDerWaalsContact C-N 3.31Å; E102-I104 PolarHBondContact O-N 3.38Å |
| 103 | L | 55.3 | Low | 65.1 | Low | 56 Ų | 56 | 75.4 Ų | 75.4 | 29% | 0.293 | 40% | 0.396 | S | S | . | . | trans | -89 | 89.7 | 178.4 | -60 | 171.8 | 0 | 0 | 0 | 109.4 | V98 I106 | V98-L103 HydrophobicContact CB-CD2 3.96Å; V98-L103 HydrophobicContact CB-CG 4.34Å; V98-L103 HydrophobicContact CG1-CD2 3.76Å; V98-L103 HydrophobicContact CG1-CG 4.05Å; L103-I106 HydrophobicContact CB-CD1 3.97Å; L103-I106 HydrophobicContact CD2-CD1 3.46Å; L103-I106 VanDerWaalsContact CD2-CD1 3.46Å; L103-I106 HydrophobicContact CG-CD1 4.24Å | ||
| 104 | I | 52.9 | Low | 66.1 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 41% | 0.41 | 37% | 0.374 | S | S | . | . | trans | -89.1 | 125.1 | 177.2 | -47.3 | 177.7 | 0 | 0 | 0 | 108.6 | E16 E102 I106 | E16-I104 HydrophobicContact CG-CG2 4.44Å; E16-I104 WeakPolarHBondContact OE1-CG2 3.33Å; E102-I104 PolarHBondContact O-N 3.38Å; I104-I106 PolarHBondContact O-N 3.37Å | ||
| 105 | N | 53 | Low | 67.8 | Low | 119 Ų | 119 | 70 Ų | 70 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 57.8 | 37.8 | 168.7 | -66.7 | -33.7 | 0 | 0 | 0 | 117.4 | E16 P107 | E16-N105 PolarHBondContact OE1-ND2 2.9Å; N105-P107 WeakPolarHBondContact O-CD 3.3Å |
| 106 | I | 61.9 | Low | 69.8 | Low | 50 Ų | 50 | 73 Ų | 73 | 26% | 0.256 | 38% | 0.379 | S | S | . | . | trans | -91.9 | 114.9 | 175.8 | -56.1 | -179.6 | 0 | 0 | 0 | 109.6 | L103 I104 T108 L110 | L103-I106 HydrophobicContact CB-CD1 3.97Å; L103-I106 HydrophobicContact CD2-CD1 3.46Å; L103-I106 VanDerWaalsContact CD2-CD1 3.46Å; L103-I106 HydrophobicContact CG-CD1 4.24Å; I104-I106 PolarHBondContact O-N 3.37Å; I106-T108 PolarHBondContact O-N 3.31Å; I106-L110 HydrophobicContact CG2-CB 4.14Å; I106-L110 HydrophobicContact CG2-CD2 3.77Å | ||
| 107 | P | 66.8 | Low | 71.8 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | trans | -54.7 | 139.4 | 169.4 | -23 | 33.4 | 0 | 0 | 0 | 110.5 | N105 D109 L110 | N105-P107 WeakPolarHBondContact O-CD 3.3Å; P107-D109 WeakPolarHBondContact CB-OD1 3.48Å; P107-D109 PolarHBondContact O-N 2.83Å; P107-L110 HydrophobicContact CB-CB 4.37Å; P107-L110 HydrophobicContact CG-CD1 4.44Å; P107-L110 WeakPolarHBondContact O-CB 3.33Å; P107-L110 PolarHBondContact O-N 2.93Å; P107-L110 VanDerWaalsContact O-N 3.12Å | ||
| 108 | T | 70.6 | Confident | 73.8 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 86% | 0.859 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16.5 | -178.4 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | I106 | I106-T108 PolarHBondContact O-N 3.31Š|
| 109 | D | 82.7 | Confident | 75.4 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 17.2 | -177.7 | 66.4 | -16 | 0 | 0 | 0 | 112.9 | P107 G111 V112 Q113 | P107-D109 WeakPolarHBondContact CB-OD1 3.48Å; P107-D109 PolarHBondContact O-N 2.83Å; D109-G111 VanDerWaalsContact C-N 3.26Å; D109-G111 PolarHBondContact O-N 3.45Å; D109-V112 WeakPolarHBondContact O-CB 3.4Å; D109-V112 PolarHBondContact O-N 3.18Å; D109-Q113 PolarHBondContact O-N 2.96Å; D109-Q113 PolarHBondContact OD1-NE2 3.5Å |
| 110 | L | 88.2 | Confident | 77.4 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -37.7 | -174.8 | -174.1 | 62.9 | 0 | 0 | 0 | 112.3 | R54 L55 I106 P107 V112 Q113 F114 | R54-L110 HydrophobicContact CG-CD2 4.23Å; L55-L110 HydrophobicContact CB-CD2 4.2Å; L55-L110 HydrophobicContact CD1-CD1 3.76Å; L55-L110 HydrophobicContact CD1-CD2 4.28Å; I106-L110 HydrophobicContact CG2-CB 4.14Å; I106-L110 HydrophobicContact CG2-CD2 3.77Å; P107-L110 HydrophobicContact CB-CB 4.37Å; P107-L110 HydrophobicContact CG-CD1 4.44Å; P107-L110 WeakPolarHBondContact O-CB 3.33Å; P107-L110 PolarHBondContact O-N 2.93Å; P107-L110 VanDerWaalsContact O-N 3.12Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-V112 PolarHBondContact O-N 3.46Å; L110-Q113 PolarHBondContact O-N 3.4Å; L110-F114 HydrophobicContact CD1-CD2 3.97Å; L110-F114 HydrophobicContact CD1-CE2 3.43Å; L110-F114 VanDerWaalsContact CD1-CE2 3.43Å; L110-F114 HydrophobicContact CD1-CZ 3.77Å; L110-F114 HydrophobicContact CD2-CD2 4.44Å; L110-F114 HydrophobicContact CD2-CE2 3.7Å; L110-F114 HydrophobicContact CD2-CZ 4.48Å; L110-F114 HydrophobicContact CG-CD2 3.73Å; L110-F114 HydrophobicContact CG-CE2 3.36Å; L110-F114 HydrophobicContact CG-CZ 4.21Å; L110-F114 VanDerWaalsContact O-CD2 3.3Å; L110-F114 WeakPolarHBondContact O-CD2 3.46Å; L110-F114 PolarHBondContact O-N 2.83Å |
| 111 | G | 91 | Very high | 79.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | M90 D92 D109 T115 N153 | M90-G111 CarbonylContact O-C 3.54Å; M90-G111 WeakPolarHBondContact O-CA 3.31Å; D92-G111 WeakPolarHBondContact OD1-CA 3.45Å; D92-G111 PolarHBondContact OD1-N 2.76Å; D92-G111 PolarHBondContact OD2-N 3.34Å; D109-G111 VanDerWaalsContact C-N 3.26Å; D109-G111 PolarHBondContact O-N 3.45Å; G111-T115 WeakPolarHBondContact O-CB 3.38Å; G111-T115 PolarHBondContact O-N 3.15Å; G111-T115 PolarHBondContact O-OG1 2.69Å; G111-N153 PolarHBondContact O-ND2 3.21Å |
| 112 | V | 92.3 | Very high | 80.7 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 174.8 | -177 | 0 | 0 | 0 | 0 | 110.4 | D109 L110 F114 T115 E116 N153 | D109-V112 WeakPolarHBondContact O-CB 3.4Å; D109-V112 PolarHBondContact O-N 3.18Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-V112 PolarHBondContact O-N 3.46Å; V112-F114 PolarHBondContact O-N 3.02Å; V112-T115 WeakPolarHBondContact O-CA 3.37Å; V112-T115 VanDerWaalsContact O-CB 3.31Å; V112-T115 WeakPolarHBondContact O-CB 3.32Å; V112-T115 PolarHBondContact O-N 2.9Å; V112-T115 VanDerWaalsContact O-N 3.1Å; V112-E116 WeakPolarHBondContact O-CG 3.34Å; V112-E116 PolarHBondContact O-N 3.4Å; V112-N153 HydrophobicContact CG2-CB 4.25Å |
| 113 | Q | 92.7 | Very high | 82.6 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 178.1 | -65.7 | -175.2 | 54 | 0 | 0 | 112.3 | D109 L110 T115 E116 M117 | D109-Q113 PolarHBondContact O-N 2.96Å; D109-Q113 PolarHBondContact OD1-NE2 3.5Å; L110-Q113 PolarHBondContact O-N 3.4Å; Q113-T115 VanDerWaalsContact C-N 3.33Å; Q113-T115 PolarHBondContact O-N 3.22Å; Q113-E116 WeakPolarHBondContact O-CB 3.17Å; Q113-E116 PolarHBondContact O-N 3.05Å; Q113-M117 WeakPolarHBondContact O-CG 3.2Å; Q113-M117 PolarHBondContact O-N 3.48Å |
| 114 | F | 94.4 | Very high | 84.4 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.5 | -32.7 | 175.4 | -71.7 | -48.8 | 0 | 0 | 0 | 112.9 | L55 G58 T59 M62 V89 M90 L110 V112 M117 Y118 | L55-F114 HydrophobicContact CD1-CZ 4.33Å; G58-F114 VanDerWaalsContact CA-CZ 3.43Å; G58-F114 WeakPolarHBondContact O-CE1 3.23Å; T59-F114 HydrophobicContact CG2-CE1 4.07Å; T59-F114 HydrophobicContact CG2-CZ 4.18Å; M62-F114 HydrophobicContact CE-CD1 4.37Å; M62-F114 HydrophobicContact SD-CB 4Å; M62-F114 HydrophobicContact SD-CD1 4.14Å; M62-F114 HydrophobicContact SD-CG 4.37Å; V89-F114 HydrophobicContact CG1-CB 3.95Å; V89-F114 HydrophobicContact CG1-CD1 4.26Å; V89-F114 HydrophobicContact CG1-CD2 3.2Å; V89-F114 HydrophobicContact CG1-CE2 3.62Å; V89-F114 HydrophobicContact CG1-CG 3.56Å; V89-F114 HydrophobicContact CG1-CZ 4.36Å; M90-F114 HydrophobicContact CG-CB 4.17Å; L110-F114 HydrophobicContact CD1-CD2 3.97Å; L110-F114 HydrophobicContact CD1-CE2 3.43Å; L110-F114 VanDerWaalsContact CD1-CE2 3.43Å; L110-F114 HydrophobicContact CD1-CZ 3.77Å; L110-F114 HydrophobicContact CD2-CD2 4.44Å; L110-F114 HydrophobicContact CD2-CE2 3.7Å; L110-F114 HydrophobicContact CD2-CZ 4.48Å; L110-F114 HydrophobicContact CG-CD2 3.73Å; L110-F114 HydrophobicContact CG-CE2 3.36Å; L110-F114 HydrophobicContact CG-CZ 4.21Å; L110-F114 VanDerWaalsContact O-CD2 3.3Å; L110-F114 WeakPolarHBondContact O-CD2 3.46Å; L110-F114 PolarHBondContact O-N 2.83Å; V112-F114 PolarHBondContact O-N 3.02Å; F114-M117 HydrophobicContact CD1-SD 4.05Å; F114-M117 HydrophobicContact CE1-SD 4.4Å; F114-M117 PolarHBondContact O-N 2.62Å; F114-Y118 WeakPolarHBondContact O-CB 3.3Å; F114-Y118 PolarHBondContact O-N 2.98Å |
| 115 | T | 95.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 171.4 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | G111 V112 Q113 M117 Y118 M119 L150 N153 R154 | G111-T115 WeakPolarHBondContact O-CB 3.38Å; G111-T115 PolarHBondContact O-N 3.15Å; G111-T115 PolarHBondContact O-OG1 2.69Å; V112-T115 WeakPolarHBondContact O-CA 3.37Å; V112-T115 VanDerWaalsContact O-CB 3.31Å; V112-T115 WeakPolarHBondContact O-CB 3.32Å; V112-T115 PolarHBondContact O-N 2.9Å; V112-T115 VanDerWaalsContact O-N 3.1Å; Q113-T115 VanDerWaalsContact C-N 3.33Å; Q113-T115 PolarHBondContact O-N 3.22Å; T115-M117 VanDerWaalsContact C-N 3.3Å; T115-M117 PolarHBondContact O-N 3.24Å; T115-Y118 PolarHBondContact O-N 3.31Å; T115-M119 WeakPolarHBondContact O-CB 3.39Å; T115-M119 WeakPolarHBondContact O-CG 3.49Å; T115-M119 PolarHBondContact O-N 2.87Å; T115-L150 HydrophobicContact CG2-CD2 3.66Å; T115-N153 HydrophobicContact CG2-CB 3.86Å; T115-N153 PolarHBondContact OG1-ND2 3.09Å; T115-R154 HydrophobicContact CG2-CB 4.1Å; T115-R154 HydrophobicContact CG2-CG 3.75Å |
| 116 | E | 93.7 | Very high | 88.3 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.8 | -71.3 | -177.1 | -173.5 | 0 | 0 | 112.5 | V112 Q113 M119 K120 R154 | V112-E116 WeakPolarHBondContact O-CG 3.34Å; V112-E116 PolarHBondContact O-N 3.4Å; Q113-E116 WeakPolarHBondContact O-CB 3.17Å; Q113-E116 PolarHBondContact O-N 3.05Å; E116-M119 HydrophobicContact CB-CE 4.32Å; E116-M119 HydrophobicContact CG-CE 4.19Å; E116-M119 VanDerWaalsContact O-CG 3.31Å; E116-M119 WeakPolarHBondContact O-CG 3.48Å; E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-R154 HydrophobicContact CG-CG 4.48Å; E116-R154 IonicContact OE1-CZ 3.67Å; E116-R154 IonicContact OE1-NH1 2.65Å; E116-R154 PolarHBondContact OE1-NH1 3.28Å; E116-R154 IonicContact OE2-NH1 3.14Å |
| 117 | M | 93.1 | Very high | 89.9 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 174.3 | -70.6 | 179.9 | 65.2 | 0 | 0 | 111.9 | M62 Q113 F114 T115 K120 | M62-M117 HydrophobicContact CE-CB 3.48Å; M62-M117 VanDerWaalsContact CE-CB 3.48Å; M62-M117 HydrophobicContact CE-CE 4.1Å; M62-M117 HydrophobicContact CE-SD 4.41Å; Q113-M117 WeakPolarHBondContact O-CG 3.2Å; Q113-M117 PolarHBondContact O-N 3.48Å; F114-M117 HydrophobicContact CD1-SD 4.05Å; F114-M117 HydrophobicContact CE1-SD 4.4Å; F114-M117 PolarHBondContact O-N 2.62Å; T115-M117 VanDerWaalsContact C-N 3.3Å; T115-M117 PolarHBondContact O-N 3.24Å; M117-K120 PolarHBondContact O-N 2.88Å |
| 118 | Y | 94.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | -179.8 | -175.2 | -101.5 | 0 | 0 | 0 | 112.7 | S66 L86 M90 F114 T115 K120 N121 N124 L128 L150 | S66-Y118 WeakPolarHBondContact OG-CE2 3.47Å; L86-Y118 HydrophobicContact CD1-CE2 3.89Å; L86-Y118 HydrophobicContact CD2-CD2 4.17Å; L86-Y118 HydrophobicContact CD2-CE2 4.09Å; M90-Y118 HydrophobicContact CE-CD1 4.2Å; M90-Y118 HydrophobicContact CE-CD2 3.64Å; M90-Y118 HydrophobicContact CE-CE2 4.42Å; M90-Y118 HydrophobicContact CE-CG 3.49Å; M90-Y118 VanDerWaalsContact CE-CG 3.49Å; M90-Y118 HydrophobicContact SD-CG 4.34Å; F114-Y118 WeakPolarHBondContact O-CB 3.3Å; F114-Y118 PolarHBondContact O-N 2.98Å; T115-Y118 PolarHBondContact O-N 3.31Å; Y118-K120 VanDerWaalsContact C-N 3.26Å; Y118-K120 PolarHBondContact O-N 2.95Å; Y118-N121 PolarHBondContact O-N 2.86Å; Y118-N124 HydrophobicContact CD1-CB 4.28Å; Y118-N124 HydrophobicContact CE1-CB 3.64Å; Y118-N124 HydrophobicContact CE2-CB 4.17Å; Y118-N124 PolarHBondContact O-ND2 3.34Å; Y118-L128 HydrophobicContact CE1-CD1 4.04Å; Y118-L150 HydrophobicContact CD1-CD1 4.22Å; Y118-L150 HydrophobicContact CD1-CD2 3.87Å; Y118-L150 HydrophobicContact CE1-CD1 3.92Å; Y118-L150 HydrophobicContact CE1-CD2 4.37Å |
| 119 | M | 91.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 47 Ų | 47 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.4 | -15.3 | -178 | 73.3 | 176.3 | -160.1 | 0 | 0 | 113.9 | T115 E116 N121 Y125 R154 D157 | T115-M119 WeakPolarHBondContact O-CB 3.39Å; T115-M119 WeakPolarHBondContact O-CG 3.49Å; T115-M119 PolarHBondContact O-N 2.87Å; E116-M119 HydrophobicContact CB-CE 4.32Å; E116-M119 HydrophobicContact CG-CE 4.19Å; E116-M119 VanDerWaalsContact O-CG 3.31Å; E116-M119 WeakPolarHBondContact O-CG 3.48Å; M119-N121 PolarHBondContact O-N 2.82Å; M119-N121 VanDerWaalsContact O-N 3.12Å; M119-Y125 HydrophobicContact CB-CE2 3.99Å; M119-R154 HydrophobicContact SD-CB 4.3Å; M119-R154 HydrophobicContact SD-CG 4.11Å; M119-D157 HydrophobicContact SD-CB 4Å |
| 120 | K | 91.9 | Very high | 93 | Very high | 173 Ų | 173 | 46.2 Ų | 46.2 | 75% | 0.752 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.4 | 174.4 | -77.8 | 173.2 | -174.7 | 177.4 | 0 | 112.4 | E116 M117 Y118 | E116-K120 WeakPolarHBondContact O-CG 3.49Å; M117-K120 PolarHBondContact O-N 2.88Å; Y118-K120 VanDerWaalsContact C-N 3.26Å; Y118-K120 PolarHBondContact O-N 2.95Å |
| 121 | N | 91.2 | Very high | 93.4 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -102.4 | 98.5 | 170.4 | -168.5 | -13.7 | 0 | 0 | 0 | 110.1 | K70 Y118 M119 E123 N124 | K70-N121 PolarHBondContact NZ-ND2 2.91Å; Y118-N121 PolarHBondContact O-N 2.86Å; M119-N121 PolarHBondContact O-N 2.82Å; M119-N121 VanDerWaalsContact O-N 3.12Å; N121-E123 PolarHBondContact O-N 2.98Å; N121-E123 WeakPolarHBondContact OD1-CB 3.47Å; N121-E123 PolarHBondContact OD1-N 2.77Å; N121-N124 WeakPolarHBondContact O-CB 3.25Å; N121-N124 VanDerWaalsContact O-CG 3.3Å; N121-N124 PolarHBondContact O-N 3.31Å; N121-N124 PolarHBondContact O-ND2 3.49Å |
| 122 | T | 88.5 | Confident | 93.6 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -22.8 | -178 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | N124 Y125 | T122-N124 PolarHBondContact O-N 3.35Å; T122-Y125 PolarHBondContact O-N 3.4Å |
| 123 | E | 92.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.2 | -28.5 | 173.5 | -167.5 | -172.4 | -170.8 | 0 | 0 | 112 | K70 N121 Y125 Q126 I127 | K70-E123 IonicContact NZ-OE2 2.71Å; K70-E123 PolarHBondContact NZ-OE2 3.23Å; N121-E123 PolarHBondContact O-N 2.98Å; N121-E123 WeakPolarHBondContact OD1-CB 3.47Å; N121-E123 PolarHBondContact OD1-N 2.77Å; E123-Y125 PolarHBondContact O-N 2.84Å; E123-Q126 WeakPolarHBondContact O-CB 3.32Å; E123-Q126 PolarHBondContact O-N 3.12Å; E123-I127 HydrophobicContact CG-CD1 4.01Å; E123-I127 HydrophobicContact CG-CG1 4.47Å; E123-I127 WeakPolarHBondContact O-CD1 3.35Å; E123-I127 WeakPolarHBondContact O-CG1 3.43Å; E123-I127 PolarHBondContact O-N 3.42Å |
| 124 | N | 94 | Very high | 93.7 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -38.5 | 179 | -69.7 | -10.4 | 0 | 0 | 0 | 111.9 | K70 Y118 N121 T122 I127 L128 | K70-N124 WeakPolarHBondContact CE-OD1 3.16Å; Y118-N124 HydrophobicContact CD1-CB 4.28Å; Y118-N124 HydrophobicContact CE1-CB 3.64Å; Y118-N124 HydrophobicContact CE2-CB 4.17Å; Y118-N124 PolarHBondContact O-ND2 3.34Å; N121-N124 WeakPolarHBondContact O-CB 3.25Å; N121-N124 VanDerWaalsContact O-CG 3.3Å; N121-N124 PolarHBondContact O-N 3.31Å; N121-N124 PolarHBondContact O-ND2 3.49Å; T122-N124 PolarHBondContact O-N 3.35Å; N124-I127 PolarHBondContact O-N 3.14Å; N124-L128 WeakPolarHBondContact O-CG 3.4Å; N124-L128 PolarHBondContact O-N 2.83Å |
| 125 | Y | 93.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.5 | -69.8 | -80.3 | 0 | 0 | 0 | 112.1 | M119 T122 E123 I127 L128 L129 L147 L150 T158 A161 | M119-Y125 HydrophobicContact CB-CE2 3.99Å; T122-Y125 PolarHBondContact O-N 3.4Å; E123-Y125 PolarHBondContact O-N 2.84Å; Y125-I127 VanDerWaalsContact C-N 3.28Å; Y125-I127 PolarHBondContact O-N 3.07Å; Y125-L128 PolarHBondContact O-N 2.88Å; Y125-L129 WeakPolarHBondContact O-CB 3.4Å; Y125-L129 VanDerWaalsContact O-CG 3.28Å; Y125-L129 WeakPolarHBondContact O-CG 3.39Å; Y125-L129 PolarHBondContact O-N 3.08Å; Y125-L147 HydrophobicContact CD1-CD2 4.17Å; Y125-L150 HydrophobicContact CD1-CD1 4.37Å; Y125-L150 HydrophobicContact CE1-CB 4.33Å; Y125-L150 HydrophobicContact CE1-CD1 3.8Å; Y125-T158 HydrophobicContact CD1-CG2 4.4Å; Y125-T158 HydrophobicContact CE1-CG2 3.71Å; Y125-T158 PolarHBondContact OH-OG1 2.75Å; Y125-T158 VanDerWaalsContact OH-OG1 3.06Å; Y125-A161 HydrophobicContact CD1-CB 3.96Å; Y125-A161 HydrophobicContact CD2-CB 3.34Å; Y125-A161 HydrophobicContact CE1-CB 4.25Å; Y125-A161 HydrophobicContact CE2-CB 3.66Å; Y125-A161 HydrophobicContact CG-CB 3.47Å; Y125-A161 VanDerWaalsContact CG-CB 3.47Å |
| 126 | Q | 93.8 | Very high | 93.6 | Very high | 119 Ų | 119 | 55.2 Ų | 55.2 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.2 | -37.3 | 176.5 | -174.7 | 175 | -4.9 | 0 | 0 | 111.5 | E123 S130 | E123-Q126 WeakPolarHBondContact O-CB 3.32Å; E123-Q126 PolarHBondContact O-N 3.12Å; Q126-S130 WeakPolarHBondContact O-CB 3.37Å; Q126-S130 PolarHBondContact O-N 3.16Å; Q126-S130 PolarHBondContact O-OG 2.89Å |
| 127 | I | 94.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -49.6 | 175.1 | -66.2 | 154.3 | 0 | 0 | 0 | 110.6 | L69 K70 E123 N124 Y125 L129 S130 L131 | L69-I127 HydrophobicContact CB-CG2 3.9Å; L69-I127 WeakPolarHBondContact O-CG2 3.41Å; K70-I127 HydrophobicContact CD-CD1 3.95Å; K70-I127 VanDerWaalsContact CE-CD1 3.42Å; K70-I127 HydrophobicContact CG-CD1 3.42Å; K70-I127 VanDerWaalsContact CG-CD1 3.42Å; E123-I127 HydrophobicContact CG-CD1 4.01Å; E123-I127 HydrophobicContact CG-CG1 4.47Å; E123-I127 WeakPolarHBondContact O-CD1 3.35Å; E123-I127 WeakPolarHBondContact O-CG1 3.43Å; E123-I127 PolarHBondContact O-N 3.42Å; N124-I127 PolarHBondContact O-N 3.14Å; Y125-I127 VanDerWaalsContact C-N 3.28Å; Y125-I127 PolarHBondContact O-N 3.07Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 3.13Å; I127-S130 WeakPolarHBondContact O-CA 3.46Å; I127-S130 WeakPolarHBondContact O-CB 3.34Å; I127-S130 PolarHBondContact O-N 3.31Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 WeakPolarHBondContact O-CG 3.39Å; I127-L131 PolarHBondContact O-N 2.82Å |
| 128 | L | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 177.6 | -67.1 | 179.5 | 0 | 0 | 0 | 112.3 | L69 L83 Y118 N124 Y125 S130 L131 L132 L146 L147 L150 | L69-L128 HydrophobicContact CD1-CD2 4.16Å; L83-L128 HydrophobicContact CD2-CD2 3.67Å; Y118-L128 HydrophobicContact CE1-CD1 4.04Å; N124-L128 WeakPolarHBondContact O-CG 3.4Å; N124-L128 PolarHBondContact O-N 2.83Å; Y125-L128 PolarHBondContact O-N 2.88Å; L128-S130 VanDerWaalsContact C-N 3.25Å; L128-S130 PolarHBondContact O-N 2.96Å; L128-L131 HydrophobicContact CD2-CD1 4.37Å; L128-L131 PolarHBondContact O-N 3.37Å; L128-L132 PolarHBondContact O-N 3.37Å; L128-L146 HydrophobicContact CD1-CD2 4.03Å; L128-L146 HydrophobicContact CD1-CG 4.14Å; L128-L146 HydrophobicContact CD2-CD2 3.71Å; L128-L147 HydrophobicContact CB-CD1 4.37Å; L128-L147 HydrophobicContact CB-CD2 4.02Å; L128-L147 HydrophobicContact CB-CG 4.14Å; L128-L147 HydrophobicContact CD1-CD2 3.88Å; L128-L147 HydrophobicContact CD1-CG 4.19Å; L128-L150 HydrophobicContact CD1-CD1 3.56Å |
| 129 | L | 95.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.6 | -20.6 | 175.6 | -69.3 | 169.8 | 0 | 0 | 0 | 113.3 | Y125 I127 L132 L147 V162 C165 K171 L172 | Y125-L129 WeakPolarHBondContact O-CB 3.4Å; Y125-L129 VanDerWaalsContact O-CG 3.28Å; Y125-L129 WeakPolarHBondContact O-CG 3.39Å; Y125-L129 PolarHBondContact O-N 3.08Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 3.13Å; L129-L132 HydrophobicContact CD2-CD1 3.87Å; L129-L147 HydrophobicContact CD2-CD1 4.08Å; L129-V162 HydrophobicContact CD1-CG2 4.48Å; L129-C165 HydrophobicContact CD1-CB 3.58Å; L129-C165 VanDerWaalsContact CD1-SG 3.59Å; L129-K171 WeakPolarHBondContact O-CD 3.44Å; L129-K171 PolarHBondContact O-NZ 2.85Å; L129-L172 HydrophobicContact CD2-CG 4.44Å |
| 130 | S | 94.3 | Very high | 94 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 42% | 0.42 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -82.4 | -32.8 | 173.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | Q126 I127 L128 L132 D133 | Q126-S130 WeakPolarHBondContact O-CB 3.37Å; Q126-S130 PolarHBondContact O-N 3.16Å; Q126-S130 PolarHBondContact O-OG 2.89Å; I127-S130 WeakPolarHBondContact O-CA 3.46Å; I127-S130 WeakPolarHBondContact O-CB 3.34Å; I127-S130 PolarHBondContact O-N 3.31Å; L128-S130 VanDerWaalsContact C-N 3.25Å; L128-S130 PolarHBondContact O-N 2.96Å; S130-L132 PolarHBondContact O-N 3.01Å; S130-D133 PolarHBondContact O-N 2.91Å |
| 131 | L | 95.2 | Very high | 94.3 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -15.1 | 173.9 | -67.2 | 172.4 | 0 | 0 | 0 | 113.3 | L69 V79 L83 I127 L128 D133 A134 I139 A143 | L69-L131 HydrophobicContact CD2-CD1 4.09Å; V79-L131 HydrophobicContact CG1-CD1 4.34Å; V79-L131 HydrophobicContact CG1-CD2 4.01Å; L83-L131 HydrophobicContact CD1-CD1 4.31Å; L83-L131 HydrophobicContact CD2-CD1 4.09Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 WeakPolarHBondContact O-CG 3.39Å; I127-L131 PolarHBondContact O-N 2.82Å; L128-L131 HydrophobicContact CD2-CD1 4.37Å; L128-L131 PolarHBondContact O-N 3.37Å; L131-D133 PolarHBondContact O-N 3.01Å; L131-A134 VanDerWaalsContact O-CB 3.23Å; L131-A134 WeakPolarHBondContact O-CB 3.4Å; L131-A134 PolarHBondContact O-N 3.27Å; L131-I139 HydrophobicContact CB-CG2 4.26Å; L131-I139 HydrophobicContact CD2-CG2 4.18Å; L131-A143 HydrophobicContact CB-CB 4.03Å |
| 132 | L | 95.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.1 | 170.3 | -60.7 | -178 | 0 | 0 | 0 | 113.1 | L128 L129 S130 A134 R140 A143 M144 L147 L172 I175 | L128-L132 PolarHBondContact O-N 3.37Å; L129-L132 HydrophobicContact CD2-CD1 3.87Å; S130-L132 PolarHBondContact O-N 3.01Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-R140 WeakPolarHBondContact O-CD 3.49Å; L132-R140 WeakPolarHBondContact O-CG 3.29Å; L132-A143 HydrophobicContact CD2-CB 4.15Å; L132-M144 HydrophobicContact CD2-CG 3.49Å; L132-M144 VanDerWaalsContact CD2-CG 3.49Å; L132-L147 HydrophobicContact CD1-CD1 4.47Å; L132-L172 HydrophobicContact CD1-CD2 3.53Å; L132-L172 HydrophobicContact CD1-CG 4.23Å; L132-I175 HydrophobicContact CB-CD1 4.31Å; L132-I175 HydrophobicContact CD1-CD1 4.18Å; L132-I175 HydrophobicContact CD2-CD1 4.11Å; L132-I175 HydrophobicContact CG-CD1 4.43Å |
| 133 | D | 93.8 | Very high | 94.9 | Very high | 108 Ų | 108 | 42.9 Ų | 42.9 | 58% | 0.578 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.4 | 176.4 | -55.6 | -37.7 | 0 | 0 | 0 | 112.5 | S130 L131 K171 | S130-D133 PolarHBondContact O-N 2.91Å; L131-D133 PolarHBondContact O-N 3.01Å; D133-K171 IonicContact OD1-NZ 3.14Å; D133-K171 WeakPolarHBondContact OD2-CE 3.42Å; D133-K171 IonicContact OD2-NZ 2.67Å; D133-K171 PolarHBondContact OD2-NZ 3.35Å |
| 134 | A | 93.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | trans | -64 | 140.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L131 L132 E136 I139 R140 | L131-A134 VanDerWaalsContact O-CB 3.23Å; L131-A134 WeakPolarHBondContact O-CB 3.4Å; L131-A134 PolarHBondContact O-N 3.27Å; L132-A134 VanDerWaalsContact C-N 3.33Å; A134-E136 VanDerWaalsContact C-N 3.27Å; A134-E136 PolarHBondContact O-N 3.11Å; A134-I139 HydrophobicContact CB-CB 4.06Å; A134-I139 HydrophobicContact CB-CD1 4.42Å; A134-I139 HydrophobicContact CB-CG2 3.82Å; A134-R140 HydrophobicContact CB-CG 4.2Å; A134-R140 WeakPolarHBondContact O-CD 3.47Å; A134-R140 WeakPolarHBondContact O-CG 3.33Å; A134-R140 PolarHBondContact O-NE 3.21Å | ||
| 135 | P | 92.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 41.7 Ų | 41.7 | 71% | 0.714 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -64.2 | -34.9 | -179.5 | 21.9 | -27 | 0 | 0 | 0 | 111.9 | S137 R140 | P135-S137 PolarHBondContact O-N 3.31Å; P135-R140 PolarHBondContact O-NH2 3.35Å |
| 136 | E | 94.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -74.7 | 123.7 | -179.9 | -58.9 | 89.6 | 162.9 | 0 | 0 | 112.3 | S76 A134 F138 I139 R140 | S76-E136 PolarHBondContact OG-OE1 2.9Å; A134-E136 VanDerWaalsContact C-N 3.27Å; A134-E136 PolarHBondContact O-N 3.11Å; E136-F138 VanDerWaalsContact C-N 3.31Å; E136-F138 HydrophobicContact CB-CD1 3.87Å; E136-F138 HydrophobicContact CB-CE1 3.48Å; E136-F138 VanDerWaalsContact CB-CE1 3.48Å; E136-F138 HydrophobicContact CB-CE2 4.4Å; E136-F138 HydrophobicContact CB-CG 4.49Å; E136-F138 HydrophobicContact CB-CZ 3.77Å; E136-F138 HydrophobicContact CG-CE1 3.7Å; E136-F138 HydrophobicContact CG-CZ 3.85Å; E136-F138 PolarHBondContact O-N 2.88Å; E136-I139 HydrophobicContact CB-CB 4.48Å; E136-I139 HydrophobicContact CB-CD1 4.07Å; E136-I139 HydrophobicContact CB-CG1 4.04Å; E136-I139 HydrophobicContact CG-CD1 4.39Å; E136-I139 PolarHBondContact O-N 2.72Å; E136-R140 PolarHBondContact O-N 3.46Å |
| 137 | S | 94.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 36 Ų | 36 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.3 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | P135 I139 R140 R141 L183 | P135-S137 PolarHBondContact O-N 3.31Å; S137-I139 PolarHBondContact O-N 3.14Å; S137-R140 PolarHBondContact O-N 3.44Å; S137-R141 VanDerWaalsContact O-CB 3.3Å; S137-R141 WeakPolarHBondContact O-CB 3.33Å; S137-R141 PolarHBondContact O-N 3.27Å; S137-L183 WeakPolarHBondContact O-CD2 3.3Å |
| 138 | F | 95 | Very high | 95.6 | Very high | 81 Ų | 81 | 36.2 Ų | 36.2 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.8 | -33 | -179.9 | 64.1 | -95.9 | 0 | 0 | 0 | 113.2 | C80 E136 N142 | C80-F138 HydrophobicContact CB-CD2 4.05Å; C80-F138 HydrophobicContact CB-CE2 3.87Å; E136-F138 VanDerWaalsContact C-N 3.31Å; E136-F138 HydrophobicContact CB-CD1 3.87Å; E136-F138 HydrophobicContact CB-CE1 3.48Å; E136-F138 VanDerWaalsContact CB-CE1 3.48Å; E136-F138 HydrophobicContact CB-CE2 4.4Å; E136-F138 HydrophobicContact CB-CG 4.49Å; E136-F138 HydrophobicContact CB-CZ 3.77Å; E136-F138 HydrophobicContact CG-CE1 3.7Å; E136-F138 HydrophobicContact CG-CZ 3.85Å; E136-F138 PolarHBondContact O-N 2.88Å; F138-N142 WeakPolarHBondContact O-CB 3.2Å; F138-N142 PolarHBondContact O-N 2.91Å; F138-N142 PolarHBondContact O-ND2 2.84Å |
| 139 | I | 96.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -52 | 174.7 | -62.7 | -179.2 | 0 | 0 | 0 | 109.2 | V79 L83 L131 A134 E136 S137 R141 N142 A143 | V79-I139 HydrophobicContact CG1-CD1 4.4Å; V79-I139 HydrophobicContact CG1-CG2 3.91Å; L83-I139 HydrophobicContact CD1-CG2 4.14Å; L131-I139 HydrophobicContact CB-CG2 4.26Å; L131-I139 HydrophobicContact CD2-CG2 4.18Å; A134-I139 HydrophobicContact CB-CB 4.06Å; A134-I139 HydrophobicContact CB-CD1 4.42Å; A134-I139 HydrophobicContact CB-CG2 3.82Å; E136-I139 HydrophobicContact CB-CB 4.48Å; E136-I139 HydrophobicContact CB-CD1 4.07Å; E136-I139 HydrophobicContact CB-CG1 4.04Å; E136-I139 HydrophobicContact CG-CD1 4.39Å; E136-I139 PolarHBondContact O-N 2.72Å; S137-I139 PolarHBondContact O-N 3.14Å; I139-R141 VanDerWaalsContact C-N 3.27Å; I139-R141 PolarHBondContact O-N 2.82Å; I139-N142 PolarHBondContact O-N 2.92Å; I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 2.77Å |
| 140 | R | 96.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.3 | -46.4 | 177.6 | -66.5 | -174.8 | -82.2 | 159.5 | -2.4 | 111.3 | L132 A134 P135 E136 S137 A143 M144 D178 L183 | L132-R140 WeakPolarHBondContact O-CD 3.49Å; L132-R140 WeakPolarHBondContact O-CG 3.29Å; A134-R140 HydrophobicContact CB-CG 4.2Å; A134-R140 WeakPolarHBondContact O-CD 3.47Å; A134-R140 WeakPolarHBondContact O-CG 3.33Å; A134-R140 PolarHBondContact O-NE 3.21Å; P135-R140 PolarHBondContact O-NH2 3.35Å; E136-R140 PolarHBondContact O-N 3.46Å; S137-R140 PolarHBondContact O-N 3.44Å; R140-A143 PolarHBondContact O-N 3.04Å; R140-M144 WeakPolarHBondContact O-CG 3.39Å; R140-M144 PolarHBondContact O-N 3.17Å; R140-D178 IonicContact CZ-OD2 2.74Å; R140-D178 IonicContact NH1-OD2 2.98Å; R140-D178 PolarHBondContact NH1-OD2 3.41Å; R140-L183 HydrophobicContact CB-CD2 4.28Å |
| 141 | R | 96.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 37% | 0.366 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.4 | -51.6 | 176.8 | -164.6 | -174 | 176.7 | -164.6 | 0.3 | 112.4 | S137 I139 A143 M144 R145 V182 L183 D186 | S137-R141 VanDerWaalsContact O-CB 3.3Å; S137-R141 WeakPolarHBondContact O-CB 3.33Å; S137-R141 PolarHBondContact O-N 3.27Å; I139-R141 VanDerWaalsContact C-N 3.27Å; I139-R141 PolarHBondContact O-N 2.82Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 3.06Å; R141-M144 PolarHBondContact O-N 3.39Å; R141-R145 WeakPolarHBondContact O-CG 3.28Å; R141-R145 PolarHBondContact O-N 2.97Å; R141-V182 HydrophobicContact CG-CG1 4.45Å; R141-V182 VanDerWaalsContact CZ-CG1 3.45Å; R141-L183 HydrophobicContact CB-CD2 3.64Å; R141-L183 HydrophobicContact CG-CD2 4.2Å; R141-D186 WeakPolarHBondContact CG-OD2 3.33Å; R141-D186 IonicContact CZ-OD2 3.66Å; R141-D186 IonicContact NE-OD2 3.88Å; R141-D186 PolarHBondContact NE-OD2 3.26Å; R141-D186 IonicContact NH2-OD2 2.74Å |
| 142 | N | 96.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -33.6 | -178.3 | -77.4 | -29.1 | 0 | 0 | 0 | 111.9 | C80 L83 F138 I139 L146 | C80-N142 PolarHBondContact SG-ND2 3Å; C80-N142 VanDerWaalsContact SG-ND2 3.42Å; L83-N142 HydrophobicContact CB-CB 3.8Å; L83-N142 HydrophobicContact CD1-CB 3.83Å; L83-N142 HydrophobicContact CG-CB 4.45Å; F138-N142 WeakPolarHBondContact O-CB 3.2Å; F138-N142 PolarHBondContact O-N 2.91Å; F138-N142 PolarHBondContact O-ND2 2.84Å; I139-N142 PolarHBondContact O-N 2.92Å; N142-L146 WeakPolarHBondContact O-CB 3.24Å; N142-L146 PolarHBondContact O-N 2.98Å |
| 143 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 L131 L132 I139 R140 R141 L146 L147 | L83-A143 HydrophobicContact CD1-CB 4.37Å; L131-A143 HydrophobicContact CB-CB 4.03Å; L132-A143 HydrophobicContact CD2-CB 4.15Å; I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 2.77Å; R140-A143 PolarHBondContact O-N 3.04Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 3.06Å; A143-L146 PolarHBondContact O-N 3.34Å; A143-L147 WeakPolarHBondContact O-CG 3.37Å; A143-L147 PolarHBondContact O-N 3.49Å |
| 144 | M | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 176 | -70.6 | -171.9 | -64.1 | 0 | 0 | 112.8 | L132 R140 R141 L146 L147 T148 I175 L183 D186 V187 L190 | L132-M144 HydrophobicContact CD2-CG 3.49Å; L132-M144 VanDerWaalsContact CD2-CG 3.49Å; R140-M144 WeakPolarHBondContact O-CG 3.39Å; R140-M144 PolarHBondContact O-N 3.17Å; R141-M144 PolarHBondContact O-N 3.39Å; M144-L146 VanDerWaalsContact C-N 3.31Å; M144-L146 PolarHBondContact O-N 2.93Å; M144-L147 PolarHBondContact O-N 3.32Å; M144-T148 PolarHBondContact O-N 3.45Å; M144-T148 PolarHBondContact O-OG1 3.21Å; M144-I175 HydrophobicContact CE-CG2 4.4Å; M144-I175 HydrophobicContact CG-CD1 4.47Å; M144-I175 HydrophobicContact SD-CD1 3.71Å; M144-I175 HydrophobicContact SD-CG2 4.02Å; M144-L183 HydrophobicContact CE-CB 4Å; M144-L183 HydrophobicContact CE-CD2 3.58Å; M144-L183 HydrophobicContact CE-CG 4.39Å; M144-D186 HydrophobicContact CE-CB 4.12Å; M144-V187 HydrophobicContact SD-CB 3.69Å; M144-V187 HydrophobicContact SD-CG2 4Å; M144-L190 HydrophobicContact CB-CD2 4.13Å; M144-L190 HydrophobicContact CG-CD2 4.22Å |
| 145 | R | 95.4 | Very high | 95.8 | Very high | 77 Ų | 77 | 36.6 Ų | 36.6 | 29% | 0.291 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.7 | -41 | 176.5 | -72.3 | 179 | 68.9 | -167.4 | 5.4 | 111.8 | Y87 R141 T148 V149 | Y87-R145 HydrophobicContact CD2-CB 3.98Å; Y87-R145 HydrophobicContact CE2-CB 3.85Å; Y87-R145 PolarHBondContact OH-NH2 3.46Å; R141-R145 WeakPolarHBondContact O-CG 3.28Å; R141-R145 PolarHBondContact O-N 2.97Å; R145-T148 WeakPolarHBondContact O-CB 3.48Å; R145-T148 PolarHBondContact O-N 2.85Å; R145-V149 PolarHBondContact O-N 3.13Å; R145-V149 VanDerWaalsContact O-N 3.11Å |
| 146 | L | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -46 | 174.6 | -177.4 | 56.8 | 0 | 0 | 0 | 111.3 | L83 L86 M90 L128 N142 A143 M144 T148 V149 L150 | L83-L146 HydrophobicContact CD2-CD2 3.95Å; L86-L146 HydrophobicContact CB-CD1 4.07Å; L86-L146 HydrophobicContact CB-CD2 3.85Å; L86-L146 HydrophobicContact CD1-CD2 3.93Å; M90-L146 HydrophobicContact SD-CD1 3.85Å; L128-L146 HydrophobicContact CD1-CD2 4.03Å; L128-L146 HydrophobicContact CD1-CG 4.14Å; L128-L146 HydrophobicContact CD2-CD2 3.71Å; N142-L146 WeakPolarHBondContact O-CB 3.24Å; N142-L146 PolarHBondContact O-N 2.98Å; A143-L146 PolarHBondContact O-N 3.34Å; M144-L146 VanDerWaalsContact C-N 3.31Å; M144-L146 PolarHBondContact O-N 2.93Å; L146-T148 PolarHBondContact O-N 2.9Å; L146-V149 PolarHBondContact O-N 3.34Å; L146-L150 HydrophobicContact CD1-CG 4.47Å; L146-L150 HydrophobicContact CG-CD1 4.32Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.42Å |
| 147 | L | 97.2 | Very high | 96 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -34.5 | 174 | -75.6 | 169.9 | 0 | 0 | 0 | 112.7 | Y125 L128 L129 L132 A143 M144 L150 S151 L190 | Y125-L147 HydrophobicContact CD1-CD2 4.17Å; L128-L147 HydrophobicContact CB-CD1 4.37Å; L128-L147 HydrophobicContact CB-CD2 4.02Å; L128-L147 HydrophobicContact CB-CG 4.14Å; L128-L147 HydrophobicContact CD1-CD2 3.88Å; L128-L147 HydrophobicContact CD1-CG 4.19Å; L129-L147 HydrophobicContact CD2-CD1 4.08Å; L132-L147 HydrophobicContact CD1-CD1 4.47Å; A143-L147 WeakPolarHBondContact O-CG 3.37Å; A143-L147 PolarHBondContact O-N 3.49Å; M144-L147 PolarHBondContact O-N 3.32Å; L147-L150 HydrophobicContact CD2-CD1 4.43Å; L147-S151 WeakPolarHBondContact O-CB 3.46Å; L147-S151 PolarHBondContact O-N 2.99Å; L147-S151 PolarHBondContact O-OG 3.2Å; L147-L190 HydrophobicContact CB-CD1 3.94Å; L147-L190 HydrophobicContact CB-CD2 3.88Å; L147-L190 HydrophobicContact CD1-CD2 4.26Å |
| 148 | T | 96.9 | Very high | 96.1 | Very high | 27 Ų | 27 | 36.5 Ų | 36.5 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.7 | -49 | 176.6 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | M144 R145 L146 L150 S151 I152 | M144-T148 PolarHBondContact O-N 3.45Å; M144-T148 PolarHBondContact O-OG1 3.21Å; R145-T148 WeakPolarHBondContact O-CB 3.48Å; R145-T148 PolarHBondContact O-N 2.85Å; L146-T148 PolarHBondContact O-N 2.9Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 PolarHBondContact O-N 3.3Å; T148-S151 WeakPolarHBondContact O-CB 3.44Å; T148-S151 PolarHBondContact O-N 3.22Å; T148-S151 VanDerWaalsContact O-N 3.1Å; T148-I152 HydrophobicContact CG2-CD1 4.08Å; T148-I152 WeakPolarHBondContact O-CG1 3.46Å; T148-I152 PolarHBondContact O-N 2.72Å |
| 149 | V | 95.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | Y87 M90 N91 R145 L146 S151 I152 N153 | Y87-V149 HydrophobicContact CD2-CG2 3.69Å; Y87-V149 HydrophobicContact CE2-CG2 3.36Å; M90-V149 HydrophobicContact CB-CG1 3.83Å; M90-V149 WeakPolarHBondContact O-CG1 3.35Å; N91-V149 HydrophobicContact CB-CG1 4.06Å; N91-V149 HydrophobicContact CB-CG2 3.85Å; R145-V149 PolarHBondContact O-N 3.13Å; R145-V149 VanDerWaalsContact O-N 3.11Å; L146-V149 PolarHBondContact O-N 3.34Å; V149-S151 VanDerWaalsContact C-N 3.28Å; V149-S151 PolarHBondContact O-N 3.5Å; V149-I152 PolarHBondContact O-N 3.17Å; V149-N153 WeakPolarHBondContact O-CB 3.48Å; V149-N153 VanDerWaalsContact O-CG 3.29Å; V149-N153 PolarHBondContact O-N 3.11Å |
| 150 | L | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 174 | -66.1 | 172.8 | 0 | 0 | 0 | 111.1 | M90 T115 Y118 Y125 L128 L146 L147 T148 N153 R154 T158 | M90-L150 HydrophobicContact SD-CD2 3.81Å; T115-L150 HydrophobicContact CG2-CD2 3.66Å; Y118-L150 HydrophobicContact CD1-CD1 4.22Å; Y118-L150 HydrophobicContact CD1-CD2 3.87Å; Y118-L150 HydrophobicContact CE1-CD1 3.92Å; Y118-L150 HydrophobicContact CE1-CD2 4.37Å; Y125-L150 HydrophobicContact CD1-CD1 4.37Å; Y125-L150 HydrophobicContact CE1-CB 4.33Å; Y125-L150 HydrophobicContact CE1-CD1 3.8Å; L128-L150 HydrophobicContact CD1-CD1 3.56Å; L146-L150 HydrophobicContact CD1-CG 4.47Å; L146-L150 HydrophobicContact CG-CD1 4.32Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.42Å; L147-L150 HydrophobicContact CD2-CD1 4.43Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 PolarHBondContact O-N 3.3Å; L150-N153 PolarHBondContact O-N 2.92Å; L150-R154 PolarHBondContact O-N 3.33Å; L150-T158 HydrophobicContact CB-CG2 4.37Å; L150-T158 PolarHBondContact O-OG1 3.42Å |
| 151 | S | 96.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 177.8 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | L147 T148 V149 L155 T158 L194 | L147-S151 WeakPolarHBondContact O-CB 3.46Å; L147-S151 PolarHBondContact O-N 2.99Å; L147-S151 PolarHBondContact O-OG 3.2Å; T148-S151 WeakPolarHBondContact O-CB 3.44Å; T148-S151 PolarHBondContact O-N 3.22Å; T148-S151 VanDerWaalsContact O-N 3.1Å; V149-S151 VanDerWaalsContact C-N 3.28Å; V149-S151 PolarHBondContact O-N 3.5Å; S151-L155 WeakPolarHBondContact O-CA 3.29Å; S151-L155 VanDerWaalsContact O-CB 3.28Å; S151-L155 WeakPolarHBondContact O-CB 3.46Å; S151-L155 PolarHBondContact O-N 3.24Å; S151-T158 WeakPolarHBondContact OG-CG2 3.32Å; S151-L194 VanDerWaalsContact OG-CD2 3.32Å; S151-L194 WeakPolarHBondContact OG-CD2 3.42Å |
| 152 | I | 94.8 | Very high | 96 | Very high | 77 Ų | 77 | 30.9 Ų | 30.9 | 40% | 0.395 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 175.8 | -68.6 | 168.9 | 0 | 0 | 0 | 110.3 | T148 V149 E193 M906 | T148-I152 HydrophobicContact CG2-CD1 4.08Å; T148-I152 WeakPolarHBondContact O-CG1 3.46Å; T148-I152 PolarHBondContact O-N 2.72Å; V149-I152 PolarHBondContact O-N 3.17Å; I152-E193 HydrophobicContact CG1-CG 4.01Å; I152-M906 HydrophobicContact CD1-CE 4.2Å; I152-M906 HydrophobicContact CG1-CE 3.96Å |
| 153 | N | 94.5 | Very high | 96 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74 | -40.3 | -175.1 | -70.5 | -12.5 | 0 | 0 | 0 | 112.8 | M90 G111 V112 T115 V149 L150 | M90-N153 PolarHBondContact O-ND2 2.9Å; G111-N153 PolarHBondContact O-ND2 3.21Å; V112-N153 HydrophobicContact CG2-CB 4.25Å; T115-N153 HydrophobicContact CG2-CB 3.86Å; T115-N153 PolarHBondContact OG1-ND2 3.09Å; V149-N153 WeakPolarHBondContact O-CB 3.48Å; V149-N153 VanDerWaalsContact O-CG 3.29Å; V149-N153 PolarHBondContact O-N 3.11Å; L150-N153 PolarHBondContact O-N 2.92Å |
| 154 | R | 95 | Very high | 95.8 | Very high | 68 Ų | 68 | 40 Ų | 40 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -142.7 | 60.2 | -174 | -66.5 | -63.9 | -64.7 | -120.7 | -1.6 | 112.5 | T115 E116 M119 L150 K156 D157 T158 | T115-R154 HydrophobicContact CG2-CB 4.1Å; T115-R154 HydrophobicContact CG2-CG 3.75Å; E116-R154 HydrophobicContact CG-CG 4.48Å; E116-R154 IonicContact OE1-CZ 3.67Å; E116-R154 IonicContact OE1-NH1 2.65Å; E116-R154 PolarHBondContact OE1-NH1 3.28Å; E116-R154 IonicContact OE2-NH1 3.14Å; M119-R154 HydrophobicContact SD-CB 4.3Å; M119-R154 HydrophobicContact SD-CG 4.11Å; L150-R154 PolarHBondContact O-N 3.33Å; R154-K156 PolarHBondContact O-N 2.85Å; R154-D157 HydrophobicContact CB-CB 4.29Å; R154-D157 IonicContact CZ-OD2 3.8Å; R154-D157 IonicContact NE-OD2 3.36Å; R154-D157 PolarHBondContact NE-OD2 3.12Å; R154-D157 IonicContact NH2-OD2 2.98Å; R154-D157 PolarHBondContact NH2-OD2 2.88Å; R154-D157 PolarHBondContact O-N 3.05Å; R154-D157 VanDerWaalsContact O-N 3.13Å; R154-T158 PolarHBondContact O-N 3.35Å; R154-T158 PolarHBondContact O-OG1 3.01Å |
| 155 | L | 96.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -44.9 | -58.1 | -173.6 | -177.4 | 61.6 | 0 | 0 | 0 | 114.8 | S151 D157 T158 Q159 E193 K196 | S151-L155 WeakPolarHBondContact O-CA 3.29Å; S151-L155 VanDerWaalsContact O-CB 3.28Å; S151-L155 WeakPolarHBondContact O-CB 3.46Å; S151-L155 PolarHBondContact O-N 3.24Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 3.3Å; L155-T158 PolarHBondContact O-N 3.4Å; L155-Q159 HydrophobicContact CD1-CG 3.94Å; L155-Q159 HydrophobicContact CG-CG 4.31Å; L155-Q159 WeakPolarHBondContact O-CB 3.28Å; L155-Q159 VanDerWaalsContact O-CG 3.22Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 3.33Å; L155-E193 VanDerWaalsContact CD1-O 3.24Å; L155-E193 WeakPolarHBondContact CD1-O 3.49Å; L155-K196 HydrophobicContact CD2-CB 3.83Å |
| 156 | K | 96.3 | Very high | 95.1 | Very high | 150 Ų | 150 | 49.3 Ų | 49.3 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61 | -39.8 | -175.6 | -72.2 | -175 | 178.3 | -179.6 | 0 | 112.2 | R154 N160 | R154-K156 PolarHBondContact O-N 2.85Å; K156-N160 WeakPolarHBondContact O-CB 3.35Å; K156-N160 PolarHBondContact O-N 3.47Å; K156-N160 PolarHBondContact O-ND2 2.81Å; K156-N160 VanDerWaalsContact O-ND2 3.11Å |
| 157 | D | 95.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 31% | 0.31 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | -179.8 | -61.8 | -61.2 | 0 | 0 | 0 | 111.1 | M119 R154 L155 N160 A161 | M119-D157 HydrophobicContact SD-CB 4Å; R154-D157 HydrophobicContact CB-CB 4.29Å; R154-D157 IonicContact CZ-OD2 3.8Å; R154-D157 IonicContact NE-OD2 3.36Å; R154-D157 PolarHBondContact NE-OD2 3.12Å; R154-D157 IonicContact NH2-OD2 2.98Å; R154-D157 PolarHBondContact NH2-OD2 2.88Å; R154-D157 PolarHBondContact O-N 3.05Å; R154-D157 VanDerWaalsContact O-N 3.13Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 3.3Å; D157-N160 PolarHBondContact O-N 3.35Å; D157-A161 WeakPolarHBondContact O-CB 3.33Å; D157-A161 PolarHBondContact O-N 3.19Å |
| 158 | T | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | Y125 L150 S151 R154 L155 N160 A161 V162 L194 | Y125-T158 HydrophobicContact CD1-CG2 4.4Å; Y125-T158 HydrophobicContact CE1-CG2 3.71Å; Y125-T158 PolarHBondContact OH-OG1 2.75Å; Y125-T158 VanDerWaalsContact OH-OG1 3.06Å; L150-T158 HydrophobicContact CB-CG2 4.37Å; L150-T158 PolarHBondContact O-OG1 3.42Å; S151-T158 WeakPolarHBondContact OG-CG2 3.32Å; R154-T158 PolarHBondContact O-N 3.35Å; R154-T158 PolarHBondContact O-OG1 3.01Å; L155-T158 PolarHBondContact O-N 3.4Å; T158-N160 VanDerWaalsContact C-N 3.33Å; T158-N160 PolarHBondContact O-N 2.94Å; T158-A161 PolarHBondContact O-N 3.04Å; T158-V162 HydrophobicContact CG2-CG2 4.3Å; T158-V162 VanDerWaalsContact O-CG2 3.3Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.17Å; T158-L194 HydrophobicContact CG2-CD2 3.96Å |
| 159 | Q | 97.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -46.2 | 174 | -75.4 | 178 | -13.2 | 0 | 0 | 111.6 | L155 V162 L163 L194 K196 N198 I201 | L155-Q159 HydrophobicContact CD1-CG 3.94Å; L155-Q159 HydrophobicContact CG-CG 4.31Å; L155-Q159 WeakPolarHBondContact O-CB 3.28Å; L155-Q159 VanDerWaalsContact O-CG 3.22Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 3.33Å; Q159-V162 PolarHBondContact O-N 2.77Å; Q159-L163 WeakPolarHBondContact O-CB 3.18Å; Q159-L163 VanDerWaalsContact O-CG 3.31Å; Q159-L163 WeakPolarHBondContact O-CG 3.42Å; Q159-L163 PolarHBondContact O-N 3.28Å; Q159-L194 HydrophobicContact CG-CD2 4.37Å; Q159-L194 WeakPolarHBondContact CG-O 3.35Å; Q159-L194 PolarHBondContact NE2-O 3.42Å; Q159-K196 PolarHBondContact NE2-O 3.03Å; Q159-N198 PolarHBondContact OE1-ND2 3.11Å; Q159-I201 HydrophobicContact CB-CD1 3.62Å; Q159-I201 HydrophobicContact CG-CD1 3.57Å |
| 160 | N | 95.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.5 | -73.7 | -27.4 | 0 | 0 | 0 | 112 | K156 D157 T158 L163 Q164 | K156-N160 WeakPolarHBondContact O-CB 3.35Å; K156-N160 PolarHBondContact O-N 3.47Å; K156-N160 PolarHBondContact O-ND2 2.81Å; K156-N160 VanDerWaalsContact O-ND2 3.11Å; D157-N160 PolarHBondContact O-N 3.35Å; T158-N160 VanDerWaalsContact C-N 3.33Å; T158-N160 PolarHBondContact O-N 2.94Å; N160-L163 PolarHBondContact O-N 3.18Å; N160-Q164 VanDerWaalsContact O-CG 3.26Å; N160-Q164 WeakPolarHBondContact O-CG 3.41Å; N160-Q164 PolarHBondContact O-N 3.45Å |
| 161 | A | 95.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y125 D157 T158 Q164 C165 | Y125-A161 HydrophobicContact CD1-CB 3.96Å; Y125-A161 HydrophobicContact CD2-CB 3.34Å; Y125-A161 HydrophobicContact CE1-CB 4.25Å; Y125-A161 HydrophobicContact CE2-CB 3.66Å; Y125-A161 HydrophobicContact CG-CB 3.47Å; Y125-A161 VanDerWaalsContact CG-CB 3.47Å; D157-A161 WeakPolarHBondContact O-CB 3.33Å; D157-A161 PolarHBondContact O-N 3.19Å; T158-A161 PolarHBondContact O-N 3.04Å; A161-Q164 PolarHBondContact O-N 3.13Å; A161-C165 PolarHBondContact O-N 3.44Å; A161-C165 PolarHBondContact O-SG 2.92Å; A161-C165 VanDerWaalsContact O-SG 3.4Å |
| 162 | V | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L129 T158 Q159 C165 V169 L172 L194 | L129-V162 HydrophobicContact CD1-CG2 4.48Å; T158-V162 HydrophobicContact CG2-CG2 4.3Å; T158-V162 VanDerWaalsContact O-CG2 3.3Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.17Å; Q159-V162 PolarHBondContact O-N 2.77Å; V162-C165 WeakPolarHBondContact O-CB 3.32Å; V162-C165 PolarHBondContact O-N 3.41Å; V162-V169 HydrophobicContact CG1-CG2 3.85Å; V162-L172 HydrophobicContact CG1-CD1 4.35Å; V162-L194 HydrophobicContact CG2-CD2 4.34Å |
| 163 | L | 94.7 | Very high | 94.8 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.1 | -32.8 | 175.7 | -78.6 | 172.5 | 0 | 0 | 0 | 113.4 | Q159 N160 C165 V169 I201 I204 | Q159-L163 WeakPolarHBondContact O-CB 3.18Å; Q159-L163 VanDerWaalsContact O-CG 3.31Å; Q159-L163 WeakPolarHBondContact O-CG 3.42Å; Q159-L163 PolarHBondContact O-N 3.28Å; N160-L163 PolarHBondContact O-N 3.18Å; L163-C165 PolarHBondContact O-N 3.5Å; L163-V169 HydrophobicContact CD2-CG2 4.38Å; L163-I201 HydrophobicContact CD1-CD1 4.18Å; L163-I201 HydrophobicContact CD1-CG1 3.87Å; L163-I201 HydrophobicContact CD2-CG1 3.72Å; L163-I201 HydrophobicContact CG-CD1 4.09Å; L163-I201 HydrophobicContact CG-CG1 3.75Å; L163-I204 HydrophobicContact CD2-CD1 3.52Å |
| 164 | Q | 93.3 | Very high | 94.9 | Very high | 145 Ų | 145 | 54.1 Ų | 54.1 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.2 | -24.9 | 174.9 | -75.4 | 172.2 | 8.5 | 0 | 0 | 112.2 | N160 A161 R166 | N160-Q164 VanDerWaalsContact O-CG 3.26Å; N160-Q164 WeakPolarHBondContact O-CG 3.41Å; N160-Q164 PolarHBondContact O-N 3.45Å; A161-Q164 PolarHBondContact O-N 3.13Å; Q164-R166 PolarHBondContact O-N 2.87Å |
| 165 | C | 91.9 | Very high | 95 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78.6 | 112.2 | 171.9 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | L129 A161 V162 L163 T167 G168 | L129-C165 HydrophobicContact CD1-CB 3.58Å; L129-C165 VanDerWaalsContact CD1-SG 3.59Å; A161-C165 PolarHBondContact O-N 3.44Å; A161-C165 PolarHBondContact O-SG 2.92Å; A161-C165 VanDerWaalsContact O-SG 3.4Å; V162-C165 WeakPolarHBondContact O-CB 3.32Å; V162-C165 PolarHBondContact O-N 3.41Å; L163-C165 PolarHBondContact O-N 3.5Å; C165-T167 PolarHBondContact O-N 3.16Å; C165-G168 PolarHBondContact O-N 3.27Å |
| 166 | R | 87.2 | Confident | 95 | Very high | 245 Ų | 245 | 49.6 Ų | 49.6 | 93% | 0.925 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -34.7 | -172 | -175.8 | 177.4 | 177.7 | -176.1 | -0.4 | 115.2 | Q164 | Q164-R166 PolarHBondContact O-N 2.87Š|
| 167 | T | 90 | Very high | 95 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 14.6 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | C165 V169 S170 K171 | C165-T167 PolarHBondContact O-N 3.16Å; T167-V169 PolarHBondContact O-N 2.83Å; T167-S170 PolarHBondContact O-N 3.5Å; T167-K171 WeakPolarHBondContact O-CB 3.38Å; T167-K171 WeakPolarHBondContact O-CG 3.36Å; T167-K171 PolarHBondContact O-N 2.91Å |
| 168 | G | 94.1 | Very high | 95 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C165 L172 | C165-G168 PolarHBondContact O-N 3.27Å; G168-L172 WeakPolarHBondContact O-CG 3.36Å; G168-L172 PolarHBondContact O-N 3.46Å |
| 169 | V | 96.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | V162 L163 T167 K171 L172 V173 I201 I204 V205 | V162-V169 HydrophobicContact CG1-CG2 3.85Å; L163-V169 HydrophobicContact CD2-CG2 4.38Å; T167-V169 PolarHBondContact O-N 2.83Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-K171 PolarHBondContact O-N 3.22Å; V169-L172 WeakPolarHBondContact O-CB 3.45Å; V169-L172 PolarHBondContact O-N 3.42Å; V169-V173 HydrophobicContact CG1-CG2 4.37Å; V169-V173 WeakPolarHBondContact O-CG2 3.41Å; V169-V173 PolarHBondContact O-N 3.19Å; V169-I201 HydrophobicContact CG1-CG2 4.34Å; V169-I201 HydrophobicContact CG2-CG2 4.35Å; V169-I204 HydrophobicContact CB-CG2 3.8Å; V169-I204 HydrophobicContact CG1-CB 4.14Å; V169-I204 HydrophobicContact CG1-CG2 3.63Å; V169-I204 HydrophobicContact CG2-CG2 4.49Å; V169-V205 HydrophobicContact CG1-CG2 3.55Å |
| 170 | S | 95.8 | Very high | 94.7 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | -179.5 | -44.7 | 0 | 0 | 0 | 0 | 111.8 | T167 L172 V173 D174 E208 | T167-S170 PolarHBondContact O-N 3.5Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.18Å; S170-V173 PolarHBondContact O-N 2.94Å; S170-V173 VanDerWaalsContact O-N 3.1Å; S170-D174 VanDerWaalsContact O-CG 3.3Å; S170-D174 PolarHBondContact O-N 3.45Å; S170-E208 WeakPolarHBondContact CB-OE1 3.4Å; S170-E208 PolarHBondContact OG-OE1 3.25Å |
| 171 | K | 95.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -37.4 | 175.2 | -75.1 | -172.4 | -175.5 | -163.3 | 0 | 113.4 | L129 D133 T167 V169 I175 | L129-K171 WeakPolarHBondContact O-CD 3.44Å; L129-K171 PolarHBondContact O-NZ 2.85Å; D133-K171 IonicContact OD1-NZ 3.14Å; D133-K171 WeakPolarHBondContact OD2-CE 3.42Å; D133-K171 IonicContact OD2-NZ 2.67Å; D133-K171 PolarHBondContact OD2-NZ 3.35Å; T167-K171 WeakPolarHBondContact O-CB 3.38Å; T167-K171 WeakPolarHBondContact O-CG 3.36Å; T167-K171 PolarHBondContact O-N 2.91Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-K171 PolarHBondContact O-N 3.22Å; K171-I175 WeakPolarHBondContact O-CG1 3.35Å |
| 172 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 177.1 | -66.6 | 170.2 | 0 | 0 | 0 | 111.1 | L129 L132 V162 G168 V169 S170 D174 I175 V187 L190 L191 L194 | L129-L172 HydrophobicContact CD2-CG 4.44Å; L132-L172 HydrophobicContact CD1-CD2 3.53Å; L132-L172 HydrophobicContact CD1-CG 4.23Å; V162-L172 HydrophobicContact CG1-CD1 4.35Å; G168-L172 WeakPolarHBondContact O-CG 3.36Å; G168-L172 PolarHBondContact O-N 3.46Å; V169-L172 WeakPolarHBondContact O-CB 3.45Å; V169-L172 PolarHBondContact O-N 3.42Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.18Å; L172-D174 VanDerWaalsContact C-N 3.34Å; L172-I175 PolarHBondContact O-N 3.26Å; L172-V187 HydrophobicContact CB-CG2 4.23Å; L172-V187 HydrophobicContact CD2-CG2 4.25Å; L172-V187 WeakPolarHBondContact O-CG2 3.49Å; L172-L190 HydrophobicContact CD1-CD2 4.48Å; L172-L190 HydrophobicContact CD2-CD2 3.54Å; L172-L190 HydrophobicContact CD2-CG 4.44Å; L172-L191 HydrophobicContact CB-CD2 3.97Å; L172-L194 HydrophobicContact CD1-CD1 3.4Å; L172-L194 VanDerWaalsContact CD1-CD1 3.4Å |
| 173 | V | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | V169 S170 I175 L176 L191 V205 E208 A210 | V169-V173 HydrophobicContact CG1-CG2 4.37Å; V169-V173 WeakPolarHBondContact O-CG2 3.41Å; V169-V173 PolarHBondContact O-N 3.19Å; S170-V173 PolarHBondContact O-N 2.94Å; S170-V173 VanDerWaalsContact O-N 3.1Å; V173-I175 PolarHBondContact O-N 3.27Å; V173-L176 HydrophobicContact CG1-CD1 4.2Å; V173-L176 VanDerWaalsContact O-CB 3.23Å; V173-L176 WeakPolarHBondContact O-CB 3.29Å; V173-L176 WeakPolarHBondContact O-CG 3.44Å; V173-L176 PolarHBondContact O-N 3.24Å; V173-L191 HydrophobicContact CG2-CD2 4.44Å; V173-V205 HydrophobicContact CG2-CB 4.33Å; V173-V205 HydrophobicContact CG2-CG1 4.18Å; V173-V205 HydrophobicContact CG2-CG2 4.11Å; V173-E208 HydrophobicContact CB-CB 4.05Å; V173-E208 HydrophobicContact CG1-CB 3.74Å; V173-E208 VanDerWaalsContact CG1-O 3.28Å; V173-E208 WeakPolarHBondContact CG1-O 3.41Å; V173-E208 HydrophobicContact CG2-CB 4.14Å; V173-A210 HydrophobicContact CG1-CB 4.24Å |
| 174 | D | 96.4 | Very high | 94.8 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -34.2 | 177.3 | -70.8 | -27.9 | 0 | 0 | 0 | 112.5 | S170 L172 L176 S177 | S170-D174 VanDerWaalsContact O-CG 3.3Å; S170-D174 PolarHBondContact O-N 3.45Å; L172-D174 VanDerWaalsContact C-N 3.34Å; D174-L176 PolarHBondContact O-N 3.25Å; D174-S177 WeakPolarHBondContact O-CB 3.42Å; D174-S177 PolarHBondContact O-N 3.12Å; D174-S177 PolarHBondContact O-OG 3.44Å |
| 175 | I | 97.2 | Very high | 95 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -66.2 | -20.9 | 178.8 | -61 | 166.1 | 0 | 0 | 0 | 112.2 | L132 M144 K171 L172 V173 S177 D178 L183 V187 | L132-I175 HydrophobicContact CB-CD1 4.31Å; L132-I175 HydrophobicContact CD1-CD1 4.18Å; L132-I175 HydrophobicContact CD2-CD1 4.11Å; L132-I175 HydrophobicContact CG-CD1 4.43Å; M144-I175 HydrophobicContact CE-CG2 4.4Å; M144-I175 HydrophobicContact CG-CD1 4.47Å; M144-I175 HydrophobicContact SD-CD1 3.71Å; M144-I175 HydrophobicContact SD-CG2 4.02Å; K171-I175 WeakPolarHBondContact O-CG1 3.35Å; L172-I175 PolarHBondContact O-N 3.26Å; V173-I175 PolarHBondContact O-N 3.27Å; I175-S177 PolarHBondContact O-N 3.08Å; I175-S177 VanDerWaalsContact O-N 3.1Å; I175-D178 HydrophobicContact CG2-CB 4.36Å; I175-D178 VanDerWaalsContact O-CB 3.28Å; I175-D178 WeakPolarHBondContact O-CB 3.22Å; I175-D178 PolarHBondContact O-N 3.46Å; I175-L183 HydrophobicContact CG2-CB 4.13Å; I175-V187 HydrophobicContact CB-CB 4.17Å; I175-V187 HydrophobicContact CB-CG1 3.96Å; I175-V187 HydrophobicContact CB-CG2 4.12Å; I175-V187 HydrophobicContact CD1-CG2 4.44Å; I175-V187 HydrophobicContact CG2-CB 3.83Å; I175-V187 HydrophobicContact CG2-CG1 3.69Å; I175-V187 HydrophobicContact CG2-CG2 4.3Å |
| 176 | L | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.7 | -22 | 172.4 | -66.8 | 173.5 | 0 | 0 | 0 | 112.6 | V173 D174 V187 I188 L191 A210 W213 L214 I217 | V173-L176 HydrophobicContact CG1-CD1 4.2Å; V173-L176 VanDerWaalsContact O-CB 3.23Å; V173-L176 WeakPolarHBondContact O-CB 3.29Å; V173-L176 WeakPolarHBondContact O-CG 3.44Å; V173-L176 PolarHBondContact O-N 3.24Å; D174-L176 PolarHBondContact O-N 3.25Å; L176-V187 HydrophobicContact CD2-CG1 3.75Å; L176-V187 HydrophobicContact CG-CG1 4.21Å; L176-I188 HydrophobicContact CD2-CD1 4.46Å; L176-I188 HydrophobicContact CD2-CG1 3.57Å; L176-L191 HydrophobicContact CD1-CD1 3.94Å; L176-L191 HydrophobicContact CD2-CD1 4.12Å; L176-L191 HydrophobicContact CG-CD1 4.06Å; L176-A210 HydrophobicContact CD1-CB 4.08Å; L176-W213 HydrophobicContact CB-CB 3.99Å; L176-W213 HydrophobicContact CB-CG 4.3Å; L176-W213 HydrophobicContact CD1-CB 4.28Å; L176-L214 HydrophobicContact CD1-CD2 4.5Å; L176-L214 HydrophobicContact CD2-CD2 4.23Å; L176-I217 HydrophobicContact CD2-CD1 4.46Å |
| 177 | S | 95.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 40% | 0.399 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -91.4 | -0.4 | 176.2 | 74.4 | 0 | 0 | 0 | 0 | 114.4 | D174 I175 | D174-S177 WeakPolarHBondContact O-CB 3.42Å; D174-S177 PolarHBondContact O-N 3.12Å; D174-S177 PolarHBondContact O-OG 3.44Å; I175-S177 PolarHBondContact O-N 3.08Å; I175-S177 VanDerWaalsContact O-N 3.1Å |
| 178 | D | 95 | Very high | 96.1 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | trans | -67.7 | 138.1 | -177.4 | -161.1 | -57.4 | 0 | 0 | 0 | 111.6 | R140 I175 H180 | R140-D178 IonicContact CZ-OD2 2.74Å; R140-D178 IonicContact NH1-OD2 2.98Å; R140-D178 PolarHBondContact NH1-OD2 3.41Å; I175-D178 HydrophobicContact CG2-CB 4.36Å; I175-D178 VanDerWaalsContact O-CB 3.28Å; I175-D178 WeakPolarHBondContact O-CB 3.22Å; I175-D178 PolarHBondContact O-N 3.46Å; D178-H180 PolarHBondContact O-N 3.09Å; D178-H180 WeakPolarHBondContact OD1-CB 3.25Å; D178-H180 IonicContact OD1-CE1 3.02Å; D178-H180 IonicContact OD1-CG 2.88Å; D178-H180 PolarHBondContact OD1-N 3.21Å; D178-H180 IonicContact OD1-ND1 3.48Å; D178-H180 PolarHBondContact OD1-ND1 3.08Å | ||
| 179 | T | 93.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 40.5 Ų | 40.5 | 79% | 0.785 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -67 | -21.6 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | E181 | T179-E181 PolarHBondContact O-N 3.49Š|
| 180 | H | 94.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 39% | 0.389 | 22% | 0.217 | S | C | . | . | trans | -82.6 | 105.4 | 177.2 | -58.7 | 84.6 | 0 | 0 | 0 | 109.4 | D178 V182 L183 R184 | D178-H180 PolarHBondContact O-N 3.09Å; D178-H180 WeakPolarHBondContact OD1-CB 3.25Å; D178-H180 IonicContact OD1-CE1 3.02Å; D178-H180 IonicContact OD1-CG 2.88Å; D178-H180 PolarHBondContact OD1-N 3.21Å; D178-H180 IonicContact OD1-ND1 3.48Å; D178-H180 PolarHBondContact OD1-ND1 3.08Å; H180-V182 PolarHBondContact O-N 3.2Å; H180-L183 HydrophobicContact CB-CB 4.28Å; H180-L183 HydrophobicContact CB-CD1 4.01Å; H180-L183 HydrophobicContact CB-CG 3.93Å; H180-L183 PolarHBondContact O-N 3.43Å; H180-R184 PolarHBondContact O-N 3.26Å; H180-R184 VanDerWaalsContact O-N 3.12Å | ||
| 181 | E | 94.4 | Very high | 96.5 | Very high | 122 Ų | 122 | 39.1 Ų | 39.1 | 57% | 0.57 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -50.6 | -37.4 | 179.2 | -67.2 | 175.9 | -173.9 | 0 | 0 | 112.7 | T179 L183 R184 N185 | T179-E181 PolarHBondContact O-N 3.49Å; E181-L183 PolarHBondContact O-N 2.82Å; E181-R184 PolarHBondContact O-N 3.06Å; E181-N185 VanDerWaalsContact O-CB 3.29Å; E181-N185 WeakPolarHBondContact O-CB 3.11Å; E181-N185 PolarHBondContact O-N 3.03Å; E181-N185 PolarHBondContact O-ND2 2.96Å; E181-N185 PolarHBondContact O-OD1 3.41Å; E181-N185 VanDerWaalsContact O-OD1 3.13Å |
| 182 | V | 95.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | R141 H180 D186 | R141-V182 HydrophobicContact CG-CG1 4.45Å; R141-V182 VanDerWaalsContact CZ-CG1 3.45Å; H180-V182 PolarHBondContact O-N 3.2Å; V182-D186 WeakPolarHBondContact O-CB 3.26Å; V182-D186 VanDerWaalsContact O-CG 3.28Å; V182-D186 PolarHBondContact O-N 3.22Å |
| 183 | L | 97 | Very high | 96.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.8 | -44.3 | 178.8 | -62.7 | -177.3 | 0 | 0 | 0 | 111.1 | S137 R140 R141 M144 I175 H180 E181 N185 D186 V187 | S137-L183 WeakPolarHBondContact O-CD2 3.3Å; R140-L183 HydrophobicContact CB-CD2 4.28Å; R141-L183 HydrophobicContact CB-CD2 3.64Å; R141-L183 HydrophobicContact CG-CD2 4.2Å; M144-L183 HydrophobicContact CE-CB 4Å; M144-L183 HydrophobicContact CE-CD2 3.58Å; M144-L183 HydrophobicContact CE-CG 4.39Å; I175-L183 HydrophobicContact CG2-CB 4.13Å; H180-L183 HydrophobicContact CB-CB 4.28Å; H180-L183 HydrophobicContact CB-CD1 4.01Å; H180-L183 HydrophobicContact CB-CG 3.93Å; H180-L183 PolarHBondContact O-N 3.43Å; E181-L183 PolarHBondContact O-N 2.82Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.47Å; L183-D186 PolarHBondContact O-N 3.11Å; L183-V187 PolarHBondContact O-N 3.35Å |
| 184 | R | 96.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 177 | -174.5 | -165.7 | 74.4 | -179.6 | -4.1 | 111.6 | H180 E181 V187 I188 I217 E221 | H180-R184 PolarHBondContact O-N 3.26Å; H180-R184 VanDerWaalsContact O-N 3.12Å; E181-R184 PolarHBondContact O-N 3.06Å; R184-V187 VanDerWaalsContact O-CG1 3.26Å; R184-V187 WeakPolarHBondContact O-CG1 3.33Å; R184-I188 WeakPolarHBondContact O-CD1 3.39Å; R184-I188 VanDerWaalsContact O-CG1 3.27Å; R184-I188 WeakPolarHBondContact O-CG1 3.41Å; R184-I188 PolarHBondContact O-N 3.16Å; R184-I217 HydrophobicContact CG-CD1 3.66Å; R184-I217 HydrophobicContact CG-CG1 4.43Å; R184-E221 IonicContact CZ-OE1 3.22Å; R184-E221 IonicContact NH1-OE1 3.62Å; R184-E221 IonicContact NH2-OE1 2.72Å; R184-E221 PolarHBondContact NH2-OE1 3.43Å |
| 185 | N | 96.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.3 | -44.2 | 179.9 | -61 | -5.7 | 0 | 0 | 0 | 111.2 | E181 L183 V187 I188 L189 V229 | E181-N185 VanDerWaalsContact O-CB 3.29Å; E181-N185 WeakPolarHBondContact O-CB 3.11Å; E181-N185 PolarHBondContact O-N 3.03Å; E181-N185 PolarHBondContact O-ND2 2.96Å; E181-N185 PolarHBondContact O-OD1 3.41Å; E181-N185 VanDerWaalsContact O-OD1 3.13Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.47Å; N185-V187 VanDerWaalsContact C-N 3.29Å; N185-V187 PolarHBondContact O-N 2.98Å; N185-I188 PolarHBondContact O-N 3.22Å; N185-L189 PolarHBondContact O-N 3.19Å; N185-V229 HydrophobicContact CB-CG2 4.5Å; N185-V229 VanDerWaalsContact ND2-CG2 3.29Å; N185-V229 WeakPolarHBondContact ND2-CG2 3.16Å; N185-V229 WeakPolarHBondContact OD1-CG1 3.32Å |
| 186 | D | 96.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 177.4 | -76 | -5.8 | 0 | 0 | 0 | 111.5 | R141 M144 V182 L183 L189 L190 | R141-D186 WeakPolarHBondContact CG-OD2 3.33Å; R141-D186 IonicContact CZ-OD2 3.66Å; R141-D186 IonicContact NE-OD2 3.88Å; R141-D186 PolarHBondContact NE-OD2 3.26Å; R141-D186 IonicContact NH2-OD2 2.74Å; M144-D186 HydrophobicContact CE-CB 4.12Å; V182-D186 WeakPolarHBondContact O-CB 3.26Å; V182-D186 VanDerWaalsContact O-CG 3.28Å; V182-D186 PolarHBondContact O-N 3.22Å; L183-D186 PolarHBondContact O-N 3.11Å; D186-L189 PolarHBondContact O-N 3.25Å; D186-L190 PolarHBondContact O-N 3.4Å; D186-L190 VanDerWaalsContact O-N 3.12Å |
| 187 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.2 | -30.1 | 177.7 | 80.1 | 0 | 0 | 0 | 0 | 113.4 | M144 L172 I175 L176 L183 R184 N185 L189 L190 L191 | M144-V187 HydrophobicContact SD-CB 3.69Å; M144-V187 HydrophobicContact SD-CG2 4Å; L172-V187 HydrophobicContact CB-CG2 4.23Å; L172-V187 HydrophobicContact CD2-CG2 4.25Å; L172-V187 WeakPolarHBondContact O-CG2 3.49Å; I175-V187 HydrophobicContact CB-CB 4.17Å; I175-V187 HydrophobicContact CB-CG1 3.96Å; I175-V187 HydrophobicContact CB-CG2 4.12Å; I175-V187 HydrophobicContact CD1-CG2 4.44Å; I175-V187 HydrophobicContact CG2-CB 3.83Å; I175-V187 HydrophobicContact CG2-CG1 3.69Å; I175-V187 HydrophobicContact CG2-CG2 4.3Å; L176-V187 HydrophobicContact CD2-CG1 3.75Å; L176-V187 HydrophobicContact CG-CG1 4.21Å; L183-V187 PolarHBondContact O-N 3.35Å; R184-V187 VanDerWaalsContact O-CG1 3.26Å; R184-V187 WeakPolarHBondContact O-CG1 3.33Å; N185-V187 VanDerWaalsContact C-N 3.29Å; N185-V187 PolarHBondContact O-N 2.98Å; V187-L189 VanDerWaalsContact C-N 3.31Å; V187-L189 PolarHBondContact O-N 2.85Å; V187-L190 PolarHBondContact O-N 3.08Å; V187-L191 HydrophobicContact CG2-CD1 4.3Å; V187-L191 HydrophobicContact CG2-CG 4.25Å; V187-L191 WeakPolarHBondContact O-CB 3.36Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 2.62Å |
| 188 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 173.8 | -67.7 | 158.7 | 0 | 0 | 0 | 109.8 | L176 R184 N185 L191 T192 L214 I217 V229 D232 C233 L236 | L176-I188 HydrophobicContact CD2-CD1 4.46Å; L176-I188 HydrophobicContact CD2-CG1 3.57Å; R184-I188 WeakPolarHBondContact O-CD1 3.39Å; R184-I188 VanDerWaalsContact O-CG1 3.27Å; R184-I188 WeakPolarHBondContact O-CG1 3.41Å; R184-I188 PolarHBondContact O-N 3.16Å; N185-I188 PolarHBondContact O-N 3.22Å; I188-L191 PolarHBondContact O-N 3.03Å; I188-T192 WeakPolarHBondContact O-CB 3.44Å; I188-T192 PolarHBondContact O-N 3.11Å; I188-T192 PolarHBondContact O-OG1 2.89Å; I188-L214 HydrophobicContact CG1-CD2 4.28Å; I188-I217 HydrophobicContact CD1-CD1 4.09Å; I188-V229 HydrophobicContact CD1-CG1 4.28Å; I188-D232 HydrophobicContact CG2-CB 3.7Å; I188-C233 VanDerWaalsContact CD1-SG 3.52Å; I188-L236 HydrophobicContact CG2-CD2 4.27Å |
| 189 | L | 97.2 | Very high | 96.5 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.3 | -62.6 | 177.5 | 0 | 0 | 0 | 111.4 | N185 D186 V187 T192 E193 D232 | N185-L189 PolarHBondContact O-N 3.19Å; D186-L189 PolarHBondContact O-N 3.25Å; V187-L189 VanDerWaalsContact C-N 3.31Å; V187-L189 PolarHBondContact O-N 2.85Å; L189-T192 WeakPolarHBondContact O-CB 3.25Å; L189-T192 PolarHBondContact O-N 3.29Å; L189-E193 PolarHBondContact O-N 2.94Å; L189-D232 HydrophobicContact CD2-CB 4.41Å |
| 190 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.7 | 175.6 | 54.4 | 0 | 0 | 0 | 112.4 | M144 L147 L172 D186 V187 T192 E193 L194 | M144-L190 HydrophobicContact CB-CD2 4.13Å; M144-L190 HydrophobicContact CG-CD2 4.22Å; L147-L190 HydrophobicContact CB-CD1 3.94Å; L147-L190 HydrophobicContact CB-CD2 3.88Å; L147-L190 HydrophobicContact CD1-CD2 4.26Å; L172-L190 HydrophobicContact CD1-CD2 4.48Å; L172-L190 HydrophobicContact CD2-CD2 3.54Å; L172-L190 HydrophobicContact CD2-CG 4.44Å; D186-L190 PolarHBondContact O-N 3.4Å; D186-L190 VanDerWaalsContact O-N 3.12Å; V187-L190 PolarHBondContact O-N 3.08Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 3.2Å; L190-E193 PolarHBondContact O-N 2.88Å; L190-E193 VanDerWaalsContact O-N 3.16Å; L190-L194 HydrophobicContact CD1-CD1 3.75Å; L190-L194 HydrophobicContact CD1-CG 3.93Å; L190-L194 HydrophobicContact CG-CD1 3.91Å; L190-L194 HydrophobicContact CG-CG 4.49Å; L190-L194 WeakPolarHBondContact O-CB 3.27Å; L190-L194 WeakPolarHBondContact O-CG 3.26Å; L190-L194 PolarHBondContact O-N 3.45Å |
| 191 | L | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 176.7 | -75.5 | 173.1 | 0 | 0 | 0 | 111.5 | L172 V173 L176 V187 I188 E193 L194 T195 V205 L236 | L172-L191 HydrophobicContact CB-CD2 3.97Å; V173-L191 HydrophobicContact CG2-CD2 4.44Å; L176-L191 HydrophobicContact CD1-CD1 3.94Å; L176-L191 HydrophobicContact CD2-CD1 4.12Å; L176-L191 HydrophobicContact CG-CD1 4.06Å; V187-L191 HydrophobicContact CG2-CD1 4.3Å; V187-L191 HydrophobicContact CG2-CG 4.25Å; V187-L191 WeakPolarHBondContact O-CB 3.36Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 2.62Å; I188-L191 PolarHBondContact O-N 3.03Å; L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 PolarHBondContact O-N 3.32Å; L191-L194 PolarHBondContact O-N 3.13Å; L191-T195 WeakPolarHBondContact O-CB 3.44Å; L191-T195 VanDerWaalsContact O-CG2 3.3Å; L191-T195 WeakPolarHBondContact O-CG2 3.37Å; L191-T195 PolarHBondContact O-N 3.16Å; L191-T195 PolarHBondContact O-OG1 3.29Å; L191-V205 HydrophobicContact CD2-CG2 3.99Å; L191-L236 HydrophobicContact CB-CD1 4.28Å; L191-L236 HydrophobicContact CB-CD2 3.82Å; L191-L236 HydrophobicContact CD1-CD2 4.34Å |
| 192 | T | 97.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -38.7 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | I188 L189 L190 K196 Q239 | I188-T192 WeakPolarHBondContact O-CB 3.44Å; I188-T192 PolarHBondContact O-N 3.11Å; I188-T192 PolarHBondContact O-OG1 2.89Å; L189-T192 WeakPolarHBondContact O-CB 3.25Å; L189-T192 PolarHBondContact O-N 3.29Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 3.2Å; T192-K196 WeakPolarHBondContact O-CG 3.38Å; T192-Q239 PolarHBondContact O-NE2 3.18Å |
| 193 | E | 97.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.1 | -49 | 175.6 | -153.9 | 56.6 | -159.7 | 0 | 0 | 112.7 | I152 L155 L189 L190 L191 T195 K196 M906 | I152-E193 HydrophobicContact CG1-CG 4.01Å; L155-E193 VanDerWaalsContact CD1-O 3.24Å; L155-E193 WeakPolarHBondContact CD1-O 3.49Å; L189-E193 PolarHBondContact O-N 2.94Å; L190-E193 PolarHBondContact O-N 2.88Å; L190-E193 VanDerWaalsContact O-N 3.16Å; L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 PolarHBondContact O-N 3.32Å; E193-T195 VanDerWaalsContact C-N 3.25Å; E193-T195 PolarHBondContact O-N 3.39Å; E193-K196 WeakPolarHBondContact O-CB 3.47Å; E193-K196 PolarHBondContact O-N 3.01Å; E193-K196 WeakPolarHBondContact OE1-CD 3.34Å; E193-K196 IonicContact OE1-NZ 2.76Å; E193-K196 PolarHBondContact OE1-NZ 2.85Å; E193-K196 WeakPolarHBondContact OE2-CE 3.28Å; E193-K196 IonicContact OE2-NZ 3.07Å; E193-K196 PolarHBondContact OE2-NZ 2.96Å; E193-M906 WeakPolarHBondContact OE2-CE 3.25Å |
| 194 | L | 97.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -27.6 | -177.5 | -75.2 | 172.9 | 0 | 0 | 0 | 113.8 | S151 T158 Q159 V162 L172 L190 L191 I201 | S151-L194 VanDerWaalsContact OG-CD2 3.32Å; S151-L194 WeakPolarHBondContact OG-CD2 3.42Å; T158-L194 HydrophobicContact CG2-CD2 3.96Å; Q159-L194 HydrophobicContact CG-CD2 4.37Å; Q159-L194 WeakPolarHBondContact CG-O 3.35Å; Q159-L194 PolarHBondContact NE2-O 3.42Å; V162-L194 HydrophobicContact CG2-CD2 4.34Å; L172-L194 HydrophobicContact CD1-CD1 3.4Å; L172-L194 VanDerWaalsContact CD1-CD1 3.4Å; L190-L194 HydrophobicContact CD1-CD1 3.75Å; L190-L194 HydrophobicContact CD1-CG 3.93Å; L190-L194 HydrophobicContact CG-CD1 3.91Å; L190-L194 HydrophobicContact CG-CG 4.49Å; L190-L194 WeakPolarHBondContact O-CB 3.27Å; L190-L194 WeakPolarHBondContact O-CG 3.26Å; L190-L194 PolarHBondContact O-N 3.45Å; L191-L194 PolarHBondContact O-N 3.13Å; L194-I201 WeakPolarHBondContact O-CD1 3.3Å |
| 195 | T | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4 | -179.1 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | L191 E193 A197 N198 I201 Q202 V205 Q239 L240 | L191-T195 WeakPolarHBondContact O-CB 3.44Å; L191-T195 VanDerWaalsContact O-CG2 3.3Å; L191-T195 WeakPolarHBondContact O-CG2 3.37Å; L191-T195 PolarHBondContact O-N 3.16Å; L191-T195 PolarHBondContact O-OG1 3.29Å; E193-T195 VanDerWaalsContact C-N 3.25Å; E193-T195 PolarHBondContact O-N 3.39Å; T195-A197 PolarHBondContact O-N 3.35Å; T195-N198 PolarHBondContact O-N 3.44Å; T195-I201 HydrophobicContact CG2-CG2 3.77Å; T195-Q202 HydrophobicContact CG2-CG 4.29Å; T195-Q202 WeakPolarHBondContact O-CG 3.23Å; T195-Q202 PolarHBondContact O-NE2 2.91Å; T195-V205 HydrophobicContact CG2-CB 4.46Å; T195-V205 HydrophobicContact CG2-CG2 3.9Å; T195-Q239 PolarHBondContact OG1-NE2 2.98Å; T195-L240 HydrophobicContact CG2-CD2 3.92Å |
| 196 | K | 96.7 | Very high | 97 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 25% | 0.248 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 124.5 | -180 | -78.8 | 178.8 | -179.2 | 175.3 | 0 | 110.9 | L155 Q159 T192 E193 N198 M906 | L155-K196 HydrophobicContact CD2-CB 3.83Å; Q159-K196 PolarHBondContact NE2-O 3.03Å; T192-K196 WeakPolarHBondContact O-CG 3.38Å; E193-K196 WeakPolarHBondContact O-CB 3.47Å; E193-K196 PolarHBondContact O-N 3.01Å; E193-K196 WeakPolarHBondContact OE1-CD 3.34Å; E193-K196 IonicContact OE1-NZ 2.76Å; E193-K196 PolarHBondContact OE1-NZ 2.85Å; E193-K196 WeakPolarHBondContact OE2-CE 3.28Å; E193-K196 IonicContact OE2-NZ 3.07Å; E193-K196 PolarHBondContact OE2-NZ 2.96Å; K196-N198 PolarHBondContact O-N 3.43Å; K196-M906 PolarHBondContact NZ-SD 2.98Å |
| 197 | A | 94.1 | Very high | 97 | Very high | 107 Ų | 107 | 37.5 Ų | 37.5 | 88% | 0.884 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 26.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T195 | T195-A197 PolarHBondContact O-N 3.35Š|
| 198 | N | 96.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -129 | 92.2 | -178.5 | -167.6 | -41.8 | 0 | 0 | 0 | 112 | Q159 T195 K196 N200 I201 Q202 | Q159-N198 PolarHBondContact OE1-ND2 3.11Å; T195-N198 PolarHBondContact O-N 3.44Å; K196-N198 PolarHBondContact O-N 3.43Å; N198-N200 PolarHBondContact O-N 2.97Å; N198-N200 VanDerWaalsContact O-N 3.17Å; N198-N200 PolarHBondContact OD1-N 3.41Å; N198-N200 VanDerWaalsContact OD1-N 3.16Å; N198-I201 HydrophobicContact CB-CB 4.43Å; N198-I201 HydrophobicContact CB-CD1 4.4Å; N198-I201 PolarHBondContact O-N 3.28Å; N198-I201 PolarHBondContact OD1-N 2.87Å; N198-I201 VanDerWaalsContact OD1-N 3.1Å; N198-Q202 VanDerWaalsContact O-CG 3.22Å; N198-Q202 WeakPolarHBondContact O-CG 3.33Å; N198-Q202 PolarHBondContact O-N 3.37Å | ||
| 199 | A | 95.5 | Very high | 96.8 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -26 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K203 | A199-K203 WeakPolarHBondContact O-CB 3.43Å; A199-K203 WeakPolarHBondContact O-CD 3.4Å; A199-K203 WeakPolarHBondContact O-CG 3.37Å; A199-K203 PolarHBondContact O-N 3.32Å |
| 200 | N | 95 | Very high | 96.8 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 54% | 0.535 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.3 | -48.3 | 179.6 | -67.6 | -32 | 0 | 0 | 0 | 111.1 | N198 Q202 K203 I204 | N198-N200 PolarHBondContact O-N 2.97Å; N198-N200 VanDerWaalsContact O-N 3.17Å; N198-N200 PolarHBondContact OD1-N 3.41Å; N198-N200 VanDerWaalsContact OD1-N 3.16Å; N200-Q202 VanDerWaalsContact C-N 3.34Å; N200-K203 PolarHBondContact O-N 2.81Å; N200-I204 WeakPolarHBondContact O-CG1 3.33Å; N200-I204 PolarHBondContact O-N 2.8Å |
| 201 | I | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 175.3 | -63.4 | 175.3 | 0 | 0 | 0 | 109.7 | Q159 L163 V169 L194 T195 N198 K203 I204 V205 | Q159-I201 HydrophobicContact CB-CD1 3.62Å; Q159-I201 HydrophobicContact CG-CD1 3.57Å; L163-I201 HydrophobicContact CD1-CD1 4.18Å; L163-I201 HydrophobicContact CD1-CG1 3.87Å; L163-I201 HydrophobicContact CD2-CG1 3.72Å; L163-I201 HydrophobicContact CG-CD1 4.09Å; L163-I201 HydrophobicContact CG-CG1 3.75Å; V169-I201 HydrophobicContact CG1-CG2 4.34Å; V169-I201 HydrophobicContact CG2-CG2 4.35Å; L194-I201 WeakPolarHBondContact O-CD1 3.3Å; T195-I201 HydrophobicContact CG2-CG2 3.77Å; N198-I201 HydrophobicContact CB-CB 4.43Å; N198-I201 HydrophobicContact CB-CD1 4.4Å; N198-I201 PolarHBondContact O-N 3.28Å; N198-I201 PolarHBondContact OD1-N 2.87Å; N198-I201 VanDerWaalsContact OD1-N 3.1Å; I201-K203 VanDerWaalsContact C-N 3.27Å; I201-K203 PolarHBondContact O-N 3.1Å; I201-I204 PolarHBondContact O-N 2.96Å; I201-I204 VanDerWaalsContact O-N 3.13Å; I201-V205 HydrophobicContact CG2-CG2 4.03Å; I201-V205 WeakPolarHBondContact O-CB 3.4Å; I201-V205 VanDerWaalsContact O-CG2 3.31Å; I201-V205 WeakPolarHBondContact O-CG2 3.19Å; I201-V205 PolarHBondContact O-N 3.04Å |
| 202 | Q | 97.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.5 | -41.3 | 176.2 | -69.4 | 169.5 | 2.4 | 0 | 0 | 112.6 | T195 N198 N200 A206 Q239 L240 N244 N247 | T195-Q202 HydrophobicContact CG2-CG 4.29Å; T195-Q202 WeakPolarHBondContact O-CG 3.23Å; T195-Q202 PolarHBondContact O-NE2 2.91Å; N198-Q202 VanDerWaalsContact O-CG 3.22Å; N198-Q202 WeakPolarHBondContact O-CG 3.33Å; N198-Q202 PolarHBondContact O-N 3.37Å; N200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-A206 WeakPolarHBondContact O-CB 3.39Å; Q202-A206 PolarHBondContact O-N 3.24Å; Q202-Q239 PolarHBondContact NE2-O 3.43Å; Q202-L240 HydrophobicContact CB-CD2 3.94Å; Q202-L240 HydrophobicContact CG-CD2 4.08Å; Q202-N244 PolarHBondContact OE1-ND2 3.05Å; Q202-N247 PolarHBondContact O-ND2 3.5Å |
| 203 | K | 96.7 | Very high | 96.8 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67 | -42.7 | 176.4 | -76.7 | 169.1 | -174.1 | 177 | 0 | 112.3 | A199 N200 I201 A206 F207 | A199-K203 WeakPolarHBondContact O-CB 3.43Å; A199-K203 WeakPolarHBondContact O-CD 3.4Å; A199-K203 WeakPolarHBondContact O-CG 3.37Å; A199-K203 PolarHBondContact O-N 3.32Å; N200-K203 PolarHBondContact O-N 2.81Å; I201-K203 VanDerWaalsContact C-N 3.27Å; I201-K203 PolarHBondContact O-N 3.1Å; K203-A206 PolarHBondContact O-N 3.15Å; K203-F207 VanDerWaalsContact O-CB 3.27Å; K203-F207 WeakPolarHBondContact O-CB 3.27Å; K203-F207 PolarHBondContact O-N 3.44Å |
| 204 | I | 96.9 | Very high | 96.8 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 29% | 0.292 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -48.9 | 177.8 | -63.3 | 163.6 | 0 | 0 | 0 | 109.8 | L163 V169 N200 I201 A206 F207 E208 | L163-I204 HydrophobicContact CD2-CD1 3.52Å; V169-I204 HydrophobicContact CB-CG2 3.8Å; V169-I204 HydrophobicContact CG1-CB 4.14Å; V169-I204 HydrophobicContact CG1-CG2 3.63Å; V169-I204 HydrophobicContact CG2-CG2 4.49Å; N200-I204 WeakPolarHBondContact O-CG1 3.33Å; N200-I204 PolarHBondContact O-N 2.8Å; I201-I204 PolarHBondContact O-N 2.96Å; I201-I204 VanDerWaalsContact O-N 3.13Å; I204-A206 VanDerWaalsContact C-N 3.29Å; I204-A206 PolarHBondContact O-N 3Å; I204-F207 PolarHBondContact O-N 3.34Å; I204-F207 VanDerWaalsContact O-N 3.11Å; I204-E208 HydrophobicContact CG2-CG 4.18Å; I204-E208 VanDerWaalsContact O-CG 3.29Å; I204-E208 WeakPolarHBondContact O-CG 3.44Å; I204-E208 PolarHBondContact O-N 3.11Å |
| 205 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.3 | -44 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | V169 V173 L191 T195 I201 E208 A210 L240 | V169-V205 HydrophobicContact CG1-CG2 3.55Å; V173-V205 HydrophobicContact CG2-CB 4.33Å; V173-V205 HydrophobicContact CG2-CG1 4.18Å; V173-V205 HydrophobicContact CG2-CG2 4.11Å; L191-V205 HydrophobicContact CD2-CG2 3.99Å; T195-V205 HydrophobicContact CG2-CB 4.46Å; T195-V205 HydrophobicContact CG2-CG2 3.9Å; I201-V205 HydrophobicContact CG2-CG2 4.03Å; I201-V205 WeakPolarHBondContact O-CB 3.4Å; I201-V205 VanDerWaalsContact O-CG2 3.31Å; I201-V205 WeakPolarHBondContact O-CG2 3.19Å; I201-V205 PolarHBondContact O-N 3.04Å; V205-E208 PolarHBondContact O-N 2.74Å; V205-A210 HydrophobicContact CG1-CB 3.5Å; V205-A210 VanDerWaalsContact CG1-CB 3.5Å; V205-A210 WeakPolarHBondContact O-CB 3.33Å; V205-A210 PolarHBondContact O-N 2.97Å; V205-L240 HydrophobicContact CB-CD2 4.01Å; V205-L240 HydrophobicContact CG1-CD1 3.89Å; V205-L240 HydrophobicContact CG1-CD2 3.86Å |
| 206 | A | 97.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q202 K203 I204 E208 N209 F211 N247 L250 | Q202-A206 WeakPolarHBondContact O-CB 3.39Å; Q202-A206 PolarHBondContact O-N 3.24Å; K203-A206 PolarHBondContact O-N 3.15Å; I204-A206 VanDerWaalsContact C-N 3.29Å; I204-A206 PolarHBondContact O-N 3Å; A206-E208 VanDerWaalsContact C-N 3.31Å; A206-E208 PolarHBondContact O-N 3.25Å; A206-N209 PolarHBondContact O-N 2.9Å; A206-F211 HydrophobicContact CB-CD2 4.4Å; A206-F211 HydrophobicContact CB-CE1 4.46Å; A206-F211 HydrophobicContact CB-CE2 3.64Å; A206-F211 HydrophobicContact CB-CZ 3.68Å; A206-N247 WeakPolarHBondContact CB-ND2 3.44Å; A206-L250 HydrophobicContact CB-CD2 3.99Å |
| 207 | F | 96 | Very high | 96.8 | Very high | 169 Ų | 169 | 45.4 Ų | 45.4 | 74% | 0.741 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.3 | -33.9 | 177.9 | -171.5 | -95.2 | 0 | 0 | 0 | 112.5 | K203 I204 N209 | K203-F207 VanDerWaalsContact O-CB 3.27Å; K203-F207 WeakPolarHBondContact O-CB 3.27Å; K203-F207 PolarHBondContact O-N 3.44Å; I204-F207 PolarHBondContact O-N 3.34Å; I204-F207 VanDerWaalsContact O-N 3.11Å; F207-N209 PolarHBondContact O-N 3Å; F207-N209 VanDerWaalsContact O-N 3.08Å |
| 208 | E | 96.1 | Very high | 97 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 23.2 | 174 | -61.6 | -70.7 | -174.7 | 0 | 0 | 112.7 | S170 V173 I204 V205 A206 A210 | S170-E208 WeakPolarHBondContact CB-OE1 3.4Å; S170-E208 PolarHBondContact OG-OE1 3.25Å; V173-E208 HydrophobicContact CB-CB 4.05Å; V173-E208 HydrophobicContact CG1-CB 3.74Å; V173-E208 VanDerWaalsContact CG1-O 3.28Å; V173-E208 WeakPolarHBondContact CG1-O 3.41Å; V173-E208 HydrophobicContact CG2-CB 4.14Å; I204-E208 HydrophobicContact CG2-CG 4.18Å; I204-E208 VanDerWaalsContact O-CG 3.29Å; I204-E208 WeakPolarHBondContact O-CG 3.44Å; I204-E208 PolarHBondContact O-N 3.11Å; V205-E208 PolarHBondContact O-N 2.74Å; A206-E208 VanDerWaalsContact C-N 3.31Å; A206-E208 PolarHBondContact O-N 3.25Å; E208-A210 VanDerWaalsContact C-N 3.33Å; E208-A210 PolarHBondContact O-N 2.74Å |
| 209 | N | 95.7 | Very high | 97.1 | Very high | 70 Ų | 70 | 42.7 Ų | 42.7 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 27.8 | 172.9 | -164.6 | 40.5 | 0 | 0 | 0 | 115.5 | A206 F207 F211 D212 | A206-N209 PolarHBondContact O-N 2.9Å; F207-N209 PolarHBondContact O-N 3Å; F207-N209 VanDerWaalsContact O-N 3.08Å; N209-F211 PolarHBondContact O-N 2.7Å; N209-D212 PolarHBondContact O-N 3.18Å; N209-D212 VanDerWaalsContact OD1-CB 3.24Å; N209-D212 WeakPolarHBondContact OD1-CB 3.03Å |
| 210 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V173 L176 V205 E208 D212 W213 L214 | V173-A210 HydrophobicContact CG1-CB 4.24Å; L176-A210 HydrophobicContact CD1-CB 4.08Å; V205-A210 HydrophobicContact CG1-CB 3.5Å; V205-A210 VanDerWaalsContact CG1-CB 3.5Å; V205-A210 WeakPolarHBondContact O-CB 3.33Å; V205-A210 PolarHBondContact O-N 2.97Å; E208-A210 VanDerWaalsContact C-N 3.33Å; E208-A210 PolarHBondContact O-N 2.74Å; A210-D212 VanDerWaalsContact C-N 3.33Å; A210-D212 PolarHBondContact O-N 3.13Å; A210-W213 PolarHBondContact O-N 3.09Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 VanDerWaalsContact O-CG 3.24Å; A210-L214 WeakPolarHBondContact O-CG 3.29Å; A210-L214 PolarHBondContact O-N 3.28Å |
| 211 | F | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 179.2 | -63.9 | -40.2 | 0 | 0 | 0 | 113.1 | A206 N209 L215 L237 L240 L241 N247 L250 F251 F256 | A206-F211 HydrophobicContact CB-CD2 4.4Å; A206-F211 HydrophobicContact CB-CE1 4.46Å; A206-F211 HydrophobicContact CB-CE2 3.64Å; A206-F211 HydrophobicContact CB-CZ 3.68Å; N209-F211 PolarHBondContact O-N 2.7Å; F211-L215 WeakPolarHBondContact O-CB 3.41Å; F211-L215 WeakPolarHBondContact O-CG 3.41Å; F211-L215 PolarHBondContact O-N 2.96Å; F211-L215 VanDerWaalsContact O-N 3.14Å; F211-L237 HydrophobicContact CD1-CD2 3.58Å; F211-L237 HydrophobicContact CE1-CD2 4.2Å; F211-L240 HydrophobicContact CD1-CD1 4.31Å; F211-L240 HydrophobicContact CE1-CB 3.83Å; F211-L240 HydrophobicContact CE1-CD1 3.87Å; F211-L240 HydrophobicContact CZ-CB 4.33Å; F211-L241 HydrophobicContact CE1-CD2 4.22Å; F211-L241 HydrophobicContact CE1-CG 4.41Å; F211-L241 HydrophobicContact CZ-CD2 3.93Å; F211-N247 HydrophobicContact CZ-CB 4.15Å; F211-L250 HydrophobicContact CE2-CD2 4.24Å; F211-L250 HydrophobicContact CE2-CG 4.38Å; F211-F251 HydrophobicContact CB-CD2 4.33Å; F211-F251 HydrophobicContact CB-CE2 4.38Å; F211-F251 AromaticContact CD1-CD2 3.83Å; F211-F251 HydrophobicContact CD1-CD2 3.83Å; F211-F251 HydrophobicContact CD1-CE2 4.09Å; F211-F251 AromaticContact CD2-CD2 3.86Å; F211-F251 HydrophobicContact CD2-CD2 3.86Å; F211-F251 AromaticContact CE1-CD2 4Å; F211-F251 HydrophobicContact CE1-CD2 4Å; F211-F251 HydrophobicContact CE2-CB 4.22Å; F211-F251 HydrophobicContact CE2-CD2 4.03Å; F211-F251 AromaticContact CG-CD2 3.76Å; F211-F251 HydrophobicContact CG-CD2 3.76Å; F211-F251 HydrophobicContact CG-CE2 4.17Å; F211-F251 HydrophobicContact CZ-CD2 4.09Å; F211-F256 HydrophobicContact CB-CD1 4.18Å; F211-F256 HydrophobicContact CB-CD2 4.14Å; F211-F256 HydrophobicContact CB-CE1 3.99Å; F211-F256 HydrophobicContact CB-CE2 3.93Å; F211-F256 HydrophobicContact CB-CG 4.24Å; F211-F256 HydrophobicContact CB-CZ 3.85Å; F211-F256 HydrophobicContact CD2-CD2 4.29Å; F211-F256 HydrophobicContact CD2-CE2 4.09Å; F211-F256 HydrophobicContact CG-CE2 4.49Å |
| 212 | D | 97.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 178.9 | -178.1 | 42.4 | 0 | 0 | 0 | 111.7 | N209 A210 K216 F256 R259 | N209-D212 PolarHBondContact O-N 3.18Å; N209-D212 VanDerWaalsContact OD1-CB 3.24Å; N209-D212 WeakPolarHBondContact OD1-CB 3.03Å; A210-D212 VanDerWaalsContact C-N 3.33Å; A210-D212 PolarHBondContact O-N 3.13Å; D212-K216 WeakPolarHBondContact O-CB 2.92Å; D212-K216 VanDerWaalsContact O-CG 3.29Å; D212-K216 WeakPolarHBondContact O-CG 3.46Å; D212-K216 PolarHBondContact O-N 3.2Å; D212-K216 IonicContact OD1-NZ 2.67Å; D212-K216 VanDerWaalsContact OD2-CE 3.25Å; D212-K216 WeakPolarHBondContact OD2-CE 3.43Å; D212-K216 IonicContact OD2-NZ 2.6Å; D212-K216 PolarHBondContact OD2-NZ 2.96Å; D212-F256 HydrophobicContact CB-CE1 3.93Å; D212-F256 HydrophobicContact CB-CZ 4.34Å; D212-R259 PolarHBondContact O-NH2 2.71Å; D212-R259 IonicContact OD1-CZ 3.74Å; D212-R259 IonicContact OD1-NH1 3.73Å; D212-R259 PolarHBondContact OD1-NH1 2.9Å; D212-R259 IonicContact OD1-NH2 2.73Å; D212-R259 PolarHBondContact OD1-NH2 3.08Å; D212-R259 VanDerWaalsContact OD1-NH2 3.09Å |
| 213 | W | 97.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.9 | -48.4 | 178.3 | -73.5 | 118.4 | 0 | 0 | 0 | 112.4 | L176 A210 L215 K216 I217 | L176-W213 HydrophobicContact CB-CB 3.99Å; L176-W213 HydrophobicContact CB-CG 4.3Å; L176-W213 HydrophobicContact CD1-CB 4.28Å; A210-W213 PolarHBondContact O-N 3.09Å; W213-L215 VanDerWaalsContact C-N 3.32Å; W213-L215 PolarHBondContact O-N 3.49Å; W213-K216 HydrophobicContact CE3-CD 3.99Å; W213-K216 HydrophobicContact CZ3-CD 4.18Å; W213-K216 WeakPolarHBondContact O-CB 3.15Å; W213-K216 PolarHBondContact O-N 3.29Å; W213-K216 VanDerWaalsContact O-N 3.12Å; W213-I217 VanDerWaalsContact O-CG1 3.3Å; W213-I217 WeakPolarHBondContact O-CG1 3.16Å; W213-I217 PolarHBondContact O-N 3.39Å |
| 214 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 178.7 | -66.2 | 171.3 | 0 | 0 | 0 | 111.3 | L176 I188 A210 I217 I218 C233 L236 L237 L240 | L176-L214 HydrophobicContact CD1-CD2 4.5Å; L176-L214 HydrophobicContact CD2-CD2 4.23Å; I188-L214 HydrophobicContact CG1-CD2 4.28Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 VanDerWaalsContact O-CG 3.24Å; A210-L214 WeakPolarHBondContact O-CG 3.29Å; A210-L214 PolarHBondContact O-N 3.28Å; L214-I217 PolarHBondContact O-N 3Å; L214-I218 WeakPolarHBondContact O-CD1 3.4Å; L214-I218 VanDerWaalsContact O-CG1 3.25Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 3.44Å; L214-C233 HydrophobicContact CD2-CB 4.22Å; L214-L236 HydrophobicContact CD1-CB 4.31Å; L214-L236 HydrophobicContact CD1-CD2 3.88Å; L214-L236 HydrophobicContact CD1-CG 3.88Å; L214-L236 HydrophobicContact CD2-CD2 3.86Å; L214-L236 HydrophobicContact CG-CD2 4.49Å; L214-L237 HydrophobicContact CB-CD1 4.48Å; L214-L237 HydrophobicContact CB-CD2 4.13Å; L214-L237 HydrophobicContact CB-CG 4.18Å; L214-L237 HydrophobicContact CD1-CD2 3.76Å; L214-L237 HydrophobicContact CD1-CG 3.97Å; L214-L240 HydrophobicContact CD1-CD1 4.24Å |
| 215 | L | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 175.8 | -70.9 | 170 | 0 | 0 | 0 | 112 | F211 W213 I217 I218 Y219 L237 F256 R259 L260 | F211-L215 WeakPolarHBondContact O-CB 3.41Å; F211-L215 WeakPolarHBondContact O-CG 3.41Å; F211-L215 PolarHBondContact O-N 2.96Å; F211-L215 VanDerWaalsContact O-N 3.14Å; W213-L215 VanDerWaalsContact C-N 3.32Å; W213-L215 PolarHBondContact O-N 3.49Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 2.85Å; L215-I218 HydrophobicContact CD2-CD1 4.37Å; L215-I218 PolarHBondContact O-N 2.88Å; L215-Y219 HydrophobicContact CB-CE2 4.11Å; L215-Y219 WeakPolarHBondContact O-CD2 3.4Å; L215-Y219 WeakPolarHBondContact O-CE2 3.47Å; L215-Y219 PolarHBondContact O-N 3.18Å; L215-L237 HydrophobicContact CD2-CD1 4.1Å; L215-L237 HydrophobicContact CG-CD1 4.47Å; L215-F256 HydrophobicContact CD1-CB 4.04Å; L215-F256 HydrophobicContact CD1-CD1 3.65Å; L215-F256 HydrophobicContact CD1-CG 4.26Å; L215-R259 HydrophobicContact CD1-CB 4.05Å; L215-L260 HydrophobicContact CD2-CD2 3.74Å |
| 216 | K | 96.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 39% | 0.387 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.2 | -43.2 | 174 | -80.6 | 167.9 | 174.4 | 166.4 | 0 | 112.2 | D212 W213 Y219 S220 | D212-K216 WeakPolarHBondContact O-CB 2.92Å; D212-K216 VanDerWaalsContact O-CG 3.29Å; D212-K216 WeakPolarHBondContact O-CG 3.46Å; D212-K216 PolarHBondContact O-N 3.2Å; D212-K216 IonicContact OD1-NZ 2.67Å; D212-K216 VanDerWaalsContact OD2-CE 3.25Å; D212-K216 WeakPolarHBondContact OD2-CE 3.43Å; D212-K216 IonicContact OD2-NZ 2.6Å; D212-K216 PolarHBondContact OD2-NZ 2.96Å; W213-K216 HydrophobicContact CE3-CD 3.99Å; W213-K216 HydrophobicContact CZ3-CD 4.18Å; W213-K216 WeakPolarHBondContact O-CB 3.15Å; W213-K216 PolarHBondContact O-N 3.29Å; W213-K216 VanDerWaalsContact O-N 3.12Å; K216-Y219 PolarHBondContact O-N 2.84Å; K216-S220 PolarHBondContact O-N 3.38Å; K216-S220 PolarHBondContact O-OG 3.05Å |
| 217 | I | 97.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 176.7 | -64.6 | 168.8 | 0 | 0 | 0 | 109.7 | L176 R184 I188 W213 L214 L215 Y219 S220 E221 V229 | L176-I217 HydrophobicContact CD2-CD1 4.46Å; R184-I217 HydrophobicContact CG-CD1 3.66Å; R184-I217 HydrophobicContact CG-CG1 4.43Å; I188-I217 HydrophobicContact CD1-CD1 4.09Å; W213-I217 VanDerWaalsContact O-CG1 3.3Å; W213-I217 WeakPolarHBondContact O-CG1 3.16Å; W213-I217 PolarHBondContact O-N 3.39Å; L214-I217 PolarHBondContact O-N 3Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 2.85Å; I217-Y219 VanDerWaalsContact C-N 3.28Å; I217-Y219 PolarHBondContact O-N 3.13Å; I217-S220 WeakPolarHBondContact CA-OG 3.44Å; I217-S220 PolarHBondContact O-N 3.24Å; I217-S220 PolarHBondContact O-OG 3.11Å; I217-E221 HydrophobicContact CG2-CG 4.17Å; I217-E221 WeakPolarHBondContact O-CG 3.41Å; I217-E221 PolarHBondContact O-N 3.02Å; I217-V229 HydrophobicContact CG2-CG1 3.91Å |
| 218 | I | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.2 | -42.1 | 176.9 | -68.4 | 164.9 | 0 | 0 | 0 | 111.8 | L214 L215 L223 V230 C233 L234 L237 L263 | L214-I218 WeakPolarHBondContact O-CD1 3.4Å; L214-I218 VanDerWaalsContact O-CG1 3.25Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 3.44Å; L215-I218 HydrophobicContact CD2-CD1 4.37Å; L215-I218 PolarHBondContact O-N 2.88Å; I218-L223 HydrophobicContact CG2-CD2 4.37Å; I218-L223 WeakPolarHBondContact O-CA 3.32Å; I218-L223 PolarHBondContact O-N 3.39Å; I218-V230 HydrophobicContact CG1-CG1 4.33Å; I218-V230 HydrophobicContact CG2-CG1 4.22Å; I218-C233 HydrophobicContact CD1-CB 3.75Å; I218-C233 HydrophobicContact CG1-CB 3.62Å; I218-L234 HydrophobicContact CD1-CD2 3.83Å; I218-L234 HydrophobicContact CD1-CG 4.03Å; I218-L237 HydrophobicContact CD1-CD1 3.87Å; I218-L263 HydrophobicContact CG2-CD2 3.56Å; I218-L263 HydrophobicContact CG2-CG 4.47Å |
| 219 | Y | 96.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.2 | -69 | -60.2 | 0 | 0 | 0 | 112.9 | L215 K216 I217 E221 G222 L223 R259 L262 | L215-Y219 HydrophobicContact CB-CE2 4.11Å; L215-Y219 WeakPolarHBondContact O-CD2 3.4Å; L215-Y219 WeakPolarHBondContact O-CE2 3.47Å; L215-Y219 PolarHBondContact O-N 3.18Å; K216-Y219 PolarHBondContact O-N 2.84Å; I217-Y219 VanDerWaalsContact C-N 3.28Å; I217-Y219 PolarHBondContact O-N 3.13Å; Y219-E221 VanDerWaalsContact C-N 3.28Å; Y219-E221 PolarHBondContact O-N 2.87Å; Y219-G222 PolarHBondContact O-N 2.97Å; Y219-L223 HydrophobicContact CD1-CD2 3.39Å; Y219-L223 HydrophobicContact CD1-CG 4.4Å; Y219-L223 HydrophobicContact CE1-CD2 3.59Å; Y219-L223 HydrophobicContact CG-CD2 4.44Å; Y219-R259 VanDerWaalsContact OH-CA 3.24Å; Y219-R259 WeakPolarHBondContact OH-CA 3.45Å; Y219-R259 WeakPolarHBondContact OH-CB 3.36Å; Y219-R259 PolarHBondContact OH-O 3.22Å; Y219-L262 HydrophobicContact CD1-CD1 4.41Å; Y219-L262 HydrophobicContact CE1-CB 3.96Å; Y219-L262 HydrophobicContact CE1-CD1 3.49Å; Y219-L262 VanDerWaalsContact CE1-CD1 3.49Å; Y219-L262 HydrophobicContact CE1-CG 4.35Å |
| 220 | S | 95.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 58% | 0.58 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -67.3 | -29.3 | -179 | 61 | 0 | 0 | 0 | 0 | 113.4 | K216 I217 G222 | K216-S220 PolarHBondContact O-N 3.38Å; K216-S220 PolarHBondContact O-OG 3.05Å; I217-S220 WeakPolarHBondContact CA-OG 3.44Å; I217-S220 PolarHBondContact O-N 3.24Å; I217-S220 PolarHBondContact O-OG 3.11Å; S220-G222 VanDerWaalsContact C-N 3.29Å; S220-G222 PolarHBondContact O-N 3.19Å |
| 221 | E | 95.2 | Very high | 96.4 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 23% | 0.229 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 0.1 | 179.5 | -65.6 | -67.1 | 151.7 | 0 | 0 | 113.1 | R184 I217 Y219 G226 V229 V230 | R184-E221 IonicContact CZ-OE1 3.22Å; R184-E221 IonicContact NH1-OE1 3.62Å; R184-E221 IonicContact NH2-OE1 2.72Å; R184-E221 PolarHBondContact NH2-OE1 3.43Å; I217-E221 HydrophobicContact CG2-CG 4.17Å; I217-E221 WeakPolarHBondContact O-CG 3.41Å; I217-E221 PolarHBondContact O-N 3.02Å; Y219-E221 VanDerWaalsContact C-N 3.28Å; Y219-E221 PolarHBondContact O-N 2.87Å; E221-G226 WeakPolarHBondContact O-CA 3.37Å; E221-V229 HydrophobicContact CG-CG1 4.38Å; E221-V230 HydrophobicContact CB-CG2 3.49Å; E221-V230 VanDerWaalsContact CB-CG2 3.49Å; E221-V230 HydrophobicContact CG-CG2 4.25Å |
| 222 | G | 93.8 | Very high | 96.4 | Very high | 36 Ų | 36 | 38 Ų | 38 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 32.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y219 S220 D225 | Y219-G222 PolarHBondContact O-N 2.97Å; S220-G222 VanDerWaalsContact C-N 3.29Å; S220-G222 PolarHBondContact O-N 3.19Å; G222-D225 PolarHBondContact O-N 3.21Å; G222-D225 VanDerWaalsContact O-N 3.17Å |
| 223 | L | 95.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 36.7 Ų | 36.7 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | 57.8 | -136.9 | 175.8 | -59.2 | 169.8 | 0 | 0 | 0 | 111.2 | I218 Y219 D225 G226 V230 L262 L263 | I218-L223 HydrophobicContact CG2-CD2 4.37Å; I218-L223 WeakPolarHBondContact O-CA 3.32Å; I218-L223 PolarHBondContact O-N 3.39Å; Y219-L223 HydrophobicContact CD1-CD2 3.39Å; Y219-L223 HydrophobicContact CD1-CG 4.4Å; Y219-L223 HydrophobicContact CE1-CD2 3.59Å; Y219-L223 HydrophobicContact CG-CD2 4.44Å; L223-D225 PolarHBondContact O-N 3.47Å; L223-G226 PolarHBondContact O-N 2.93Å; L223-V230 WeakPolarHBondContact O-CG1 3.35Å; L223-L262 HydrophobicContact CD1-CB 4.47Å; L223-L262 HydrophobicContact CD2-CB 4.39Å; L223-L263 HydrophobicContact CB-CD2 4.06Å; L223-L263 HydrophobicContact CD2-CD2 3.91Å; L223-L263 HydrophobicContact CD2-CG 4.37Å |
| 224 | C | 94.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -64.3 | -19.6 | 179.6 | -68.8 | 0 | 0 | 0 | 0 | 113.6 | G226 L263 L266 K281 N284 | C224-G226 PolarHBondContact O-N 3.2Å; C224-L263 PolarHBondContact SG-O 3.43Å; C224-L266 HydrophobicContact CB-CD2 3.79Å; C224-K281 HydrophobicContact CB-CG 4.44Å; C224-K281 WeakPolarHBondContact O-CA 3.32Å; C224-N284 HydrophobicContact CB-CB 4.3Å; C224-N284 PolarHBondContact O-ND2 2.88Å |
| 225 | D | 93.5 | Very high | 96.5 | Very high | 107 Ų | 107 | 38.3 Ų | 38.3 | 57% | 0.572 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -78.9 | -5.2 | 175 | -68.1 | -71.6 | 0 | 0 | 0 | 113.1 | G222 L223 K281 | G222-D225 PolarHBondContact O-N 3.21Å; G222-D225 VanDerWaalsContact O-N 3.17Å; L223-D225 PolarHBondContact O-N 3.47Å; D225-K281 VanDerWaalsContact CG-NZ 3.3Å; D225-K281 VanDerWaalsContact OD1-CD 3.27Å; D225-K281 WeakPolarHBondContact OD1-CD 3.33Å; D225-K281 WeakPolarHBondContact OD1-CE 3.21Å; D225-K281 IonicContact OD1-NZ 3.16Å; D225-K281 PolarHBondContact OD1-NZ 2.89Å; D225-K281 IonicContact OD2-NZ 3.7Å; D225-K281 PolarHBondContact OD2-NZ 3.17Å |
| 226 | G | 92.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.1 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E221 L223 C224 Q280 N284 | E221-G226 WeakPolarHBondContact O-CA 3.37Å; L223-G226 PolarHBondContact O-N 2.93Å; C224-G226 PolarHBondContact O-N 3.2Å; G226-Q280 WeakPolarHBondContact O-CG 3.35Å; G226-N284 PolarHBondContact O-ND2 3.36Å |
| 227 | S | 94.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 34 Ų | 34 | 40% | 0.399 | 19% | 0.19 | S | C | . | . | trans | -75.3 | -170.4 | -178 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | V229 V230 | S227-V229 PolarHBondContact O-N 2.96Å; S227-V230 WeakPolarHBondContact O-CB 3.45Å; S227-V230 PolarHBondContact O-N 3.27Å | ||
| 228 | V | 97 | Very high | 96.6 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -51.9 | -27.6 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | V230 E231 D232 | V228-V230 PolarHBondContact O-N 3.31Å; V228-E231 WeakPolarHBondContact O-CA 3.33Å; V228-E231 VanDerWaalsContact O-CB 3.32Å; V228-E231 WeakPolarHBondContact O-CB 3.32Å; V228-E231 PolarHBondContact O-N 2.85Å; V228-E231 VanDerWaalsContact O-N 3.07Å; V228-D232 PolarHBondContact O-N 3.08Å |
| 229 | V | 97.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -36.6 | 177 | -177.3 | 0 | 0 | 0 | 0 | 112 | N185 I188 I217 E221 S227 D232 C233 | N185-V229 HydrophobicContact CB-CG2 4.5Å; N185-V229 VanDerWaalsContact ND2-CG2 3.29Å; N185-V229 WeakPolarHBondContact ND2-CG2 3.16Å; N185-V229 WeakPolarHBondContact OD1-CG1 3.32Å; I188-V229 HydrophobicContact CD1-CG1 4.28Å; I217-V229 HydrophobicContact CG2-CG1 3.91Å; E221-V229 HydrophobicContact CG-CG1 4.38Å; S227-V229 PolarHBondContact O-N 2.96Å; V229-D232 PolarHBondContact O-N 3.35Å; V229-C233 PolarHBondContact O-N 3.21Å; V229-C233 PolarHBondContact O-SG 3.12Å; V229-C233 VanDerWaalsContact O-SG 3.34Å |
| 230 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | I218 E221 L223 S227 V228 D232 C233 L234 N284 | I218-V230 HydrophobicContact CG1-CG1 4.33Å; I218-V230 HydrophobicContact CG2-CG1 4.22Å; E221-V230 HydrophobicContact CB-CG2 3.49Å; E221-V230 VanDerWaalsContact CB-CG2 3.49Å; E221-V230 HydrophobicContact CG-CG2 4.25Å; L223-V230 WeakPolarHBondContact O-CG1 3.35Å; S227-V230 WeakPolarHBondContact O-CB 3.45Å; S227-V230 PolarHBondContact O-N 3.27Å; V228-V230 PolarHBondContact O-N 3.31Å; V230-D232 VanDerWaalsContact C-N 3.34Å; V230-C233 PolarHBondContact O-N 3.07Å; V230-L234 HydrophobicContact CG1-CD1 3.81Å; V230-L234 HydrophobicContact CG1-CG 4.31Å; V230-L234 WeakPolarHBondContact O-CB 3.49Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 3.49Å; V230-N284 HydrophobicContact CG1-CB 4.24Å |
| 231 | E | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 30 Ų | 30 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 173.8 | 171.7 | -176.8 | 174.5 | 0 | 0 | 110.9 | V228 C233 L234 R235 Q280 V283 N284 | V228-E231 WeakPolarHBondContact O-CA 3.33Å; V228-E231 VanDerWaalsContact O-CB 3.32Å; V228-E231 WeakPolarHBondContact O-CB 3.32Å; V228-E231 PolarHBondContact O-N 2.85Å; V228-E231 VanDerWaalsContact O-N 3.07Å; E231-C233 PolarHBondContact O-N 3.42Å; E231-L234 PolarHBondContact O-N 3.12Å; E231-R235 HydrophobicContact CG-CG 4.45Å; E231-R235 WeakPolarHBondContact O-CB 3.37Å; E231-R235 WeakPolarHBondContact O-CG 3.27Å; E231-R235 PolarHBondContact O-N 3.34Å; E231-R235 IonicContact OE1-CZ 3.91Å; E231-R235 IonicContact OE1-NE 3.98Å; E231-R235 PolarHBondContact OE1-NE 3.26Å; E231-R235 IonicContact OE1-NH1 2.8Å; E231-R235 PolarHBondContact OE1-NH1 3.2Å; E231-R235 IonicContact OE1-NH2 3Å; E231-R235 PolarHBondContact OE1-NH2 3.11Å; E231-Q280 PolarHBondContact OE2-NE2 3.34Å; E231-V283 VanDerWaalsContact CD-CG1 3.44Å; E231-V283 HydrophobicContact CG-CG1 3.92Å; E231-V283 WeakPolarHBondContact OE2-CG1 3.45Å; E231-N284 WeakPolarHBondContact CB-OD1 3.38Å; E231-N284 PolarHBondContact N-OD1 3.44Å |
| 232 | D | 98.3 | Very high | 96.8 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 178.7 | -66.3 | -33.1 | 0 | 0 | 0 | 111.5 | I188 L189 V228 V229 V230 R235 L236 | I188-D232 HydrophobicContact CG2-CB 3.7Å; L189-D232 HydrophobicContact CD2-CB 4.41Å; V228-D232 PolarHBondContact O-N 3.08Å; V229-D232 PolarHBondContact O-N 3.35Å; V230-D232 VanDerWaalsContact C-N 3.34Å; D232-R235 PolarHBondContact O-N 3.16Å; D232-L236 WeakPolarHBondContact O-CB 3.37Å; D232-L236 PolarHBondContact O-N 3.41Å |
| 233 | C | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.1 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | I188 L214 I218 V229 V230 E231 L236 L237 | I188-C233 VanDerWaalsContact CD1-SG 3.52Å; L214-C233 HydrophobicContact CD2-CB 4.22Å; I218-C233 HydrophobicContact CD1-CB 3.75Å; I218-C233 HydrophobicContact CG1-CB 3.62Å; V229-C233 PolarHBondContact O-N 3.21Å; V229-C233 PolarHBondContact O-SG 3.12Å; V229-C233 VanDerWaalsContact O-SG 3.34Å; V230-C233 PolarHBondContact O-N 3.07Å; E231-C233 PolarHBondContact O-N 3.42Å; C233-L236 PolarHBondContact O-N 3.15Å; C233-L237 WeakPolarHBondContact O-CG 3.26Å; C233-L237 PolarHBondContact O-N 3.16Å |
| 234 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | -179.6 | -72 | 170 | 0 | 0 | 0 | 111.8 | I218 V230 E231 L237 L238 L263 N284 V287 A288 | I218-L234 HydrophobicContact CD1-CD2 3.83Å; I218-L234 HydrophobicContact CD1-CG 4.03Å; V230-L234 HydrophobicContact CG1-CD1 3.81Å; V230-L234 HydrophobicContact CG1-CG 4.31Å; V230-L234 WeakPolarHBondContact O-CB 3.49Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 3.49Å; E231-L234 PolarHBondContact O-N 3.12Å; L234-L237 HydrophobicContact CD2-CD1 4.37Å; L234-L237 WeakPolarHBondContact O-CB 3.43Å; L234-L237 PolarHBondContact O-N 3.06Å; L234-L238 WeakPolarHBondContact O-CB 3.45Å; L234-L238 PolarHBondContact O-N 2.92Å; L234-L263 HydrophobicContact CD2-CD1 4.02Å; L234-N284 HydrophobicContact CD1-CB 4.41Å; L234-N284 VanDerWaalsContact CD1-O 3.3Å; L234-N284 WeakPolarHBondContact CD1-O 3.48Å; L234-V287 HydrophobicContact CB-CB 4.09Å; L234-V287 HydrophobicContact CB-CG1 3.57Å; L234-V287 HydrophobicContact CD1-CB 4.44Å; L234-A288 HydrophobicContact CD1-CB 4.14Å; L234-A288 HydrophobicContact CD2-CB 4.23Å |
| 235 | R | 98.2 | Very high | 96.8 | Very high | 118 Ų | 118 | 34.7 Ų | 34.7 | 45% | 0.445 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 174 | -75.5 | -179.3 | 175.5 | -174.5 | 2.4 | 111.8 | E231 D232 L238 Q239 V287 | E231-R235 HydrophobicContact CG-CG 4.45Å; E231-R235 WeakPolarHBondContact O-CB 3.37Å; E231-R235 WeakPolarHBondContact O-CG 3.27Å; E231-R235 PolarHBondContact O-N 3.34Å; E231-R235 IonicContact OE1-CZ 3.91Å; E231-R235 IonicContact OE1-NE 3.98Å; E231-R235 PolarHBondContact OE1-NE 3.26Å; E231-R235 IonicContact OE1-NH1 2.8Å; E231-R235 PolarHBondContact OE1-NH1 3.2Å; E231-R235 IonicContact OE1-NH2 3Å; E231-R235 PolarHBondContact OE1-NH2 3.11Å; D232-R235 PolarHBondContact O-N 3.16Å; R235-L238 PolarHBondContact O-N 3.31Å; R235-Q239 WeakPolarHBondContact O-CB 3.35Å; R235-Q239 PolarHBondContact O-N 3.39Å; R235-V287 HydrophobicContact CG-CG1 4.09Å |
| 236 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 173.5 | -178.4 | 54.1 | 0 | 0 | 0 | 111.2 | I188 L191 L214 D232 C233 L238 Q239 L240 | I188-L236 HydrophobicContact CG2-CD2 4.27Å; L191-L236 HydrophobicContact CB-CD1 4.28Å; L191-L236 HydrophobicContact CB-CD2 3.82Å; L191-L236 HydrophobicContact CD1-CD2 4.34Å; L214-L236 HydrophobicContact CD1-CB 4.31Å; L214-L236 HydrophobicContact CD1-CD2 3.88Å; L214-L236 HydrophobicContact CD1-CG 3.88Å; L214-L236 HydrophobicContact CD2-CD2 3.86Å; L214-L236 HydrophobicContact CG-CD2 4.49Å; D232-L236 WeakPolarHBondContact O-CB 3.37Å; D232-L236 PolarHBondContact O-N 3.41Å; C233-L236 PolarHBondContact O-N 3.15Å; L236-L238 PolarHBondContact O-N 3.39Å; L236-Q239 PolarHBondContact O-N 3.3Å; L236-L240 HydrophobicContact CD1-CD1 4.26Å; L236-L240 HydrophobicContact CD1-CG 4.1Å; L236-L240 HydrophobicContact CG-CD1 4.16Å; L236-L240 HydrophobicContact CG-CG 4.46Å; L236-L240 WeakPolarHBondContact O-CB 3.5Å; L236-L240 VanDerWaalsContact O-CG 3.24Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.34Å |
| 237 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 173.3 | -76.1 | 175.5 | 0 | 0 | 0 | 111.8 | F211 L214 L215 I218 C233 L234 Q239 L240 L241 F251 V291 | F211-L237 HydrophobicContact CD1-CD2 3.58Å; F211-L237 HydrophobicContact CE1-CD2 4.2Å; L214-L237 HydrophobicContact CB-CD1 4.48Å; L214-L237 HydrophobicContact CB-CD2 4.13Å; L214-L237 HydrophobicContact CB-CG 4.18Å; L214-L237 HydrophobicContact CD1-CD2 3.76Å; L214-L237 HydrophobicContact CD1-CG 3.97Å; L215-L237 HydrophobicContact CD2-CD1 4.1Å; L215-L237 HydrophobicContact CG-CD1 4.47Å; I218-L237 HydrophobicContact CD1-CD1 3.87Å; C233-L237 WeakPolarHBondContact O-CG 3.26Å; C233-L237 PolarHBondContact O-N 3.16Å; L234-L237 HydrophobicContact CD2-CD1 4.37Å; L234-L237 WeakPolarHBondContact O-CB 3.43Å; L234-L237 PolarHBondContact O-N 3.06Å; L237-Q239 VanDerWaalsContact C-N 3.33Å; L237-Q239 PolarHBondContact O-N 3.06Å; L237-L240 PolarHBondContact O-N 3.46Å; L237-L241 WeakPolarHBondContact O-CD1 3.49Å; L237-L241 VanDerWaalsContact O-CG 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.45Å; L237-L241 PolarHBondContact O-N 3Å; L237-F251 HydrophobicContact CD2-CE2 4.3Å; L237-V291 HydrophobicContact CB-CG2 4.36Å |
| 238 | L | 97.8 | Very high | 97.3 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 177.5 | -178 | 62.7 | 0 | 0 | 0 | 111 | L234 R235 L236 L240 L241 D242 Q290 V291 T294 | L234-L238 WeakPolarHBondContact O-CB 3.45Å; L234-L238 PolarHBondContact O-N 2.92Å; R235-L238 PolarHBondContact O-N 3.31Å; L236-L238 PolarHBondContact O-N 3.39Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.87Å; L238-L241 PolarHBondContact O-N 3.26Å; L238-L241 VanDerWaalsContact O-N 3.15Å; L238-D242 WeakPolarHBondContact O-CB 3.34Å; L238-D242 PolarHBondContact O-N 3.43Å; L238-Q290 HydrophobicContact CD1-CB 4.23Å; L238-Q290 HydrophobicContact CD2-CB 4.17Å; L238-V291 HydrophobicContact CB-CG2 4.07Å; L238-V291 HydrophobicContact CD1-CG2 4.48Å; L238-T294 WeakPolarHBondContact CD1-OG1 3.39Å |
| 239 | Q | 97.5 | Very high | 97.3 | Very high | 45 Ų | 45 | 29 Ų | 29 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | -179.3 | -172 | 165.9 | -73.1 | 0 | 0 | 113.6 | T192 T195 Q202 R235 L236 L237 L241 | T192-Q239 PolarHBondContact O-NE2 3.18Å; T195-Q239 PolarHBondContact OG1-NE2 2.98Å; Q202-Q239 PolarHBondContact NE2-O 3.43Å; R235-Q239 WeakPolarHBondContact O-CB 3.35Å; R235-Q239 PolarHBondContact O-N 3.39Å; L236-Q239 PolarHBondContact O-N 3.3Å; L237-Q239 VanDerWaalsContact C-N 3.33Å; L237-Q239 PolarHBondContact O-N 3.06Å; Q239-L241 VanDerWaalsContact C-N 3.29Å |
| 240 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.7 | -24.2 | 175.2 | -70.1 | 174.6 | 0 | 0 | 0 | 112.5 | T195 Q202 V205 F211 L214 L236 L237 L238 N247 | T195-L240 HydrophobicContact CG2-CD2 3.92Å; Q202-L240 HydrophobicContact CB-CD2 3.94Å; Q202-L240 HydrophobicContact CG-CD2 4.08Å; V205-L240 HydrophobicContact CB-CD2 4.01Å; V205-L240 HydrophobicContact CG1-CD1 3.89Å; V205-L240 HydrophobicContact CG1-CD2 3.86Å; F211-L240 HydrophobicContact CD1-CD1 4.31Å; F211-L240 HydrophobicContact CE1-CB 3.83Å; F211-L240 HydrophobicContact CE1-CD1 3.87Å; F211-L240 HydrophobicContact CZ-CB 4.33Å; L214-L240 HydrophobicContact CD1-CD1 4.24Å; L236-L240 HydrophobicContact CD1-CD1 4.26Å; L236-L240 HydrophobicContact CD1-CG 4.1Å; L236-L240 HydrophobicContact CG-CD1 4.16Å; L236-L240 HydrophobicContact CG-CG 4.46Å; L236-L240 WeakPolarHBondContact O-CB 3.5Å; L236-L240 VanDerWaalsContact O-CG 3.24Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.34Å; L237-L240 PolarHBondContact O-N 3.46Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.87Å; L240-N247 WeakPolarHBondContact O-CB 3.06Å; L240-N247 PolarHBondContact O-ND2 3.34Å |
| 241 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -101 | -34.6 | -175.1 | -66.4 | 170.5 | 0 | 0 | 0 | 113.2 | F211 L237 L238 Q239 G243 N244 N247 Q248 F251 V291 T294 L295 | F211-L241 HydrophobicContact CE1-CD2 4.22Å; F211-L241 HydrophobicContact CE1-CG 4.41Å; F211-L241 HydrophobicContact CZ-CD2 3.93Å; L237-L241 WeakPolarHBondContact O-CD1 3.49Å; L237-L241 VanDerWaalsContact O-CG 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.45Å; L237-L241 PolarHBondContact O-N 3Å; L238-L241 PolarHBondContact O-N 3.26Å; L238-L241 VanDerWaalsContact O-N 3.15Å; Q239-L241 VanDerWaalsContact C-N 3.29Å; L241-G243 PolarHBondContact O-N 3.19Å; L241-N244 PolarHBondContact O-N 3.25Å; L241-N247 HydrophobicContact CD2-CB 4.48Å; L241-Q248 HydrophobicContact CB-CG 4.47Å; L241-Q248 HydrophobicContact CD2-CG 4.32Å; L241-Q248 WeakPolarHBondContact O-CG 3.35Å; L241-Q248 PolarHBondContact O-NE2 2.9Å; L241-F251 HydrophobicContact CD1-CD2 4.17Å; L241-F251 HydrophobicContact CD1-CE2 4.25Å; L241-F251 HydrophobicContact CD1-CG 4.37Å; L241-F251 HydrophobicContact CD2-CB 3.69Å; L241-F251 HydrophobicContact CD2-CD2 3.96Å; L241-F251 HydrophobicContact CD2-CG 3.87Å; L241-V291 HydrophobicContact CD1-CG1 3.94Å; L241-T294 HydrophobicContact CB-CG2 3.89Å; L241-L295 HydrophobicContact CD1-CD2 4.19Å; L241-L295 HydrophobicContact CD1-CG 4.47Å; L241-L295 HydrophobicContact CD2-CD2 4.22Å |
| 242 | D | 95.5 | Very high | 97.2 | Very high | 99 Ų | 99 | 31.1 Ų | 31.1 | 53% | 0.529 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 130.8 | -174.9 | -169.8 | 30.9 | 0 | 0 | 0 | 111.7 | L238 N244 T294 | L238-D242 WeakPolarHBondContact O-CB 3.34Å; L238-D242 PolarHBondContact O-N 3.43Å; D242-N244 PolarHBondContact O-N 3.16Å; D242-T294 HydrophobicContact CB-CG2 3.98Å |
| 243 | G | 92.7 | Very high | 97.1 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 68% | 0.68 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 9.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L241 P245 | L241-G243 PolarHBondContact O-N 3.19Å; G243-P245 WeakPolarHBondContact O-CD 3.35Å |
| 244 | N | 96 | Very high | 97 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | trans | -120 | 83.6 | -174.3 | -164.6 | -27 | 0 | 0 | 0 | 112.5 | Q202 L241 D242 S246 N247 Q248 | Q202-N244 PolarHBondContact OE1-ND2 3.05Å; L241-N244 PolarHBondContact O-N 3.25Å; D242-N244 PolarHBondContact O-N 3.16Å; N244-S246 PolarHBondContact O-N 3.04Å; N244-S246 PolarHBondContact OD1-N 2.89Å; N244-N247 HydrophobicContact CB-CB 4.11Å; N244-N247 PolarHBondContact ND2-ND2 3.46Å; N244-N247 PolarHBondContact O-N 3.39Å; N244-N247 VanDerWaalsContact O-N 3.12Å; N244-N247 PolarHBondContact OD1-N 3.36Å; N244-Q248 WeakPolarHBondContact O-CG 3.48Å; N244-Q248 PolarHBondContact O-N 3.38Å | ||
| 245 | P | 95.5 | Very high | 96.9 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -26.8 | -175.9 | 24.8 | -34.7 | 0 | 0 | 0 | 113.5 | G243 V249 L304 | G243-P245 WeakPolarHBondContact O-CD 3.35Å; P245-V249 VanDerWaalsContact O-CG2 3.28Å; P245-V249 WeakPolarHBondContact O-CG2 2.98Å; P245-V249 PolarHBondContact O-N 3.23Å; P245-L304 HydrophobicContact CB-CD2 4.41Å |
| 246 | S | 95.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 176.1 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | N244 V249 L250 | N244-S246 PolarHBondContact O-N 3.04Å; N244-S246 PolarHBondContact OD1-N 2.89Å; S246-V249 PolarHBondContact O-N 2.99Å; S246-L250 PolarHBondContact O-N 3.31Å |
| 247 | N | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.2 | -36.7 | 178.5 | -79.2 | 12.8 | 0 | 0 | 0 | 111.7 | Q202 A206 F211 L240 L241 N244 L250 F251 | Q202-N247 PolarHBondContact O-ND2 3.5Å; A206-N247 WeakPolarHBondContact CB-ND2 3.44Å; F211-N247 HydrophobicContact CZ-CB 4.15Å; L240-N247 WeakPolarHBondContact O-CB 3.06Å; L240-N247 PolarHBondContact O-ND2 3.34Å; L241-N247 HydrophobicContact CD2-CB 4.48Å; N244-N247 HydrophobicContact CB-CB 4.11Å; N244-N247 PolarHBondContact ND2-ND2 3.46Å; N244-N247 PolarHBondContact O-N 3.39Å; N244-N247 VanDerWaalsContact O-N 3.12Å; N244-N247 PolarHBondContact OD1-N 3.36Å; N247-L250 PolarHBondContact O-N 3.13Å; N247-F251 VanDerWaalsContact O-CB 3.3Å; N247-F251 WeakPolarHBondContact O-CB 3.16Å; N247-F251 PolarHBondContact O-N 3.41Å |
| 248 | Q | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 173.1 | -67.6 | 173.5 | 10.1 | 0 | 0 | 112 | L241 N244 F251 V252 L295 N300 L304 | L241-Q248 HydrophobicContact CB-CG 4.47Å; L241-Q248 HydrophobicContact CD2-CG 4.32Å; L241-Q248 WeakPolarHBondContact O-CG 3.35Å; L241-Q248 PolarHBondContact O-NE2 2.9Å; N244-Q248 WeakPolarHBondContact O-CG 3.48Å; N244-Q248 PolarHBondContact O-N 3.38Å; Q248-F251 PolarHBondContact O-N 2.84Å; Q248-V252 VanDerWaalsContact O-CG2 3.26Å; Q248-V252 WeakPolarHBondContact O-CG2 2.96Å; Q248-V252 PolarHBondContact O-N 3.43Å; Q248-L295 HydrophobicContact CG-CD2 4.4Å; Q248-N300 PolarHBondContact NE2-OD1 3Å; Q248-N300 PolarHBondContact OE1-ND2 3.49Å; Q248-N300 PolarHBondContact OE1-OD1 3.2Å; Q248-L304 HydrophobicContact CB-CD2 3.84Å; Q248-L304 VanDerWaalsContact OE1-CD2 3.24Å |
| 249 | V | 97.2 | Very high | 96.6 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 33% | 0.333 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | P245 S246 F251 V252 E253 L304 | P245-V249 VanDerWaalsContact O-CG2 3.28Å; P245-V249 WeakPolarHBondContact O-CG2 2.98Å; P245-V249 PolarHBondContact O-N 3.23Å; S246-V249 PolarHBondContact O-N 2.99Å; V249-F251 PolarHBondContact O-N 3.13Å; V249-V252 PolarHBondContact O-N 3.24Å; V249-E253 HydrophobicContact CG1-CG 4.19Å; V249-E253 WeakPolarHBondContact CG1-OE1 3.44Å; V249-E253 WeakPolarHBondContact O-CB 3.29Å; V249-E253 WeakPolarHBondContact O-CG 3.46Å; V249-E253 PolarHBondContact O-N 3.19Å; V249-L304 HydrophobicContact CG2-CD1 3.88Å; V249-L304 HydrophobicContact CG2-CD2 4.18Å |
| 250 | L | 97.2 | Very high | 96.5 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -37.8 | 177.1 | -178.2 | 62.6 | 0 | 0 | 0 | 112.1 | A206 F211 S246 N247 G254 | A206-L250 HydrophobicContact CB-CD2 3.99Å; F211-L250 HydrophobicContact CE2-CD2 4.24Å; F211-L250 HydrophobicContact CE2-CG 4.38Å; S246-L250 PolarHBondContact O-N 3.31Å; N247-L250 PolarHBondContact O-N 3.13Å; L250-G254 PolarHBondContact O-N 3.36Å |
| 251 | F | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.9 | -165.1 | -90.7 | 0 | 0 | 0 | 112.4 | F211 L237 L241 N247 Q248 V249 F256 I257 L260 L295 | F211-F251 HydrophobicContact CB-CD2 4.33Å; F211-F251 HydrophobicContact CB-CE2 4.38Å; F211-F251 AromaticContact CD1-CD2 3.83Å; F211-F251 HydrophobicContact CD1-CD2 3.83Å; F211-F251 HydrophobicContact CD1-CE2 4.09Å; F211-F251 AromaticContact CD2-CD2 3.86Å; F211-F251 HydrophobicContact CD2-CD2 3.86Å; F211-F251 AromaticContact CE1-CD2 4Å; F211-F251 HydrophobicContact CE1-CD2 4Å; F211-F251 HydrophobicContact CE2-CB 4.22Å; F211-F251 HydrophobicContact CE2-CD2 4.03Å; F211-F251 AromaticContact CG-CD2 3.76Å; F211-F251 HydrophobicContact CG-CD2 3.76Å; F211-F251 HydrophobicContact CG-CE2 4.17Å; F211-F251 HydrophobicContact CZ-CD2 4.09Å; L237-F251 HydrophobicContact CD2-CE2 4.3Å; L241-F251 HydrophobicContact CD1-CD2 4.17Å; L241-F251 HydrophobicContact CD1-CE2 4.25Å; L241-F251 HydrophobicContact CD1-CG 4.37Å; L241-F251 HydrophobicContact CD2-CB 3.69Å; L241-F251 HydrophobicContact CD2-CD2 3.96Å; L241-F251 HydrophobicContact CD2-CG 3.87Å; N247-F251 VanDerWaalsContact O-CB 3.3Å; N247-F251 WeakPolarHBondContact O-CB 3.16Å; N247-F251 PolarHBondContact O-N 3.41Å; Q248-F251 PolarHBondContact O-N 2.84Å; V249-F251 PolarHBondContact O-N 3.13Å; F251-F256 HydrophobicContact CD1-CB 3.79Å; F251-F256 HydrophobicContact CD2-CB 3.71Å; F251-F256 HydrophobicContact CD2-CD2 4.17Å; F251-F256 HydrophobicContact CD2-CG 4.19Å; F251-F256 HydrophobicContact CE1-CB 3.53Å; F251-F256 HydrophobicContact CE2-CB 3.45Å; F251-F256 VanDerWaalsContact CE2-CB 3.45Å; F251-F256 HydrophobicContact CE2-CG 4.16Å; F251-F256 HydrophobicContact CG-CB 3.88Å; F251-F256 HydrophobicContact CG-CD2 4.4Å; F251-F256 HydrophobicContact CZ-CB 3.35Å; F251-F256 HydrophobicContact CZ-CG 4.49Å; F251-F256 WeakPolarHBondContact O-CB 3.49Å; F251-F256 WeakPolarHBondContact O-CD2 3.32Å; F251-F256 PolarHBondContact O-N 3.5Å; F251-F256 VanDerWaalsContact O-N 3.1Å; F251-I257 HydrophobicContact CD1-CG1 3.8Å; F251-I257 HydrophobicContact CE1-CG1 3.84Å; F251-L260 HydrophobicContact CE1-CD1 3.71Å; F251-L260 HydrophobicContact CE1-CG 4.27Å; F251-L260 HydrophobicContact CZ-CD1 3.79Å; F251-L260 HydrophobicContact CZ-CD2 4.32Å; F251-L260 HydrophobicContact CZ-CG 4.04Å; F251-L295 HydrophobicContact CD1-CD1 3.98Å; F251-L295 HydrophobicContact CD1-CD2 3.91Å; F251-L295 HydrophobicContact CE1-CD1 3.83Å; F251-L295 HydrophobicContact CG-CD2 4.44Å |
| 252 | V | 96.5 | Very high | 96.1 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.3 | -51.3 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | Q248 V249 G254 N255 I257 L304 C308 V311 | Q248-V252 VanDerWaalsContact O-CG2 3.26Å; Q248-V252 WeakPolarHBondContact O-CG2 2.96Å; Q248-V252 PolarHBondContact O-N 3.43Å; V249-V252 PolarHBondContact O-N 3.24Å; V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.13Å; V252-N255 PolarHBondContact O-N 3.2Å; V252-I257 HydrophobicContact CG2-CD1 3.7Å; V252-L304 HydrophobicContact CG2-CD1 4.35Å; V252-C308 WeakPolarHBondContact CG2-SG 3.46Å; V252-V311 HydrophobicContact CG1-CG2 4.41Å |
| 253 | E | 95.6 | Very high | 96.1 | Very high | 144 Ų | 144 | 41 Ų | 41 | 67% | 0.673 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.3 | -31.4 | -178.2 | -70.3 | 180 | 170.6 | 0 | 0 | 112.5 | V249 N255 | V249-E253 HydrophobicContact CG1-CG 4.19Å; V249-E253 WeakPolarHBondContact CG1-OE1 3.44Å; V249-E253 WeakPolarHBondContact O-CB 3.29Å; V249-E253 WeakPolarHBondContact O-CG 3.46Å; V249-E253 PolarHBondContact O-N 3.19Å; E253-N255 PolarHBondContact O-N 3.44Å |
| 254 | G | 95.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 4.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L250 V252 F256 | L250-G254 PolarHBondContact O-N 3.36Å; V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.13Å; G254-F256 VanDerWaalsContact C-N 3.27Å; G254-F256 PolarHBondContact O-N 3.12Å |
| 255 | N | 96.6 | Very high | 95.9 | Very high | 91 Ų | 91 | 42 Ų | 42 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 39.9 | -177.9 | -58.7 | -54.2 | 0 | 0 | 0 | 112.9 | V252 E253 Q258 | V252-N255 PolarHBondContact O-N 3.2Å; E253-N255 PolarHBondContact O-N 3.44Å; N255-Q258 HydrophobicContact CB-CG 4.4Å; N255-Q258 VanDerWaalsContact O-CG 3.22Å; N255-Q258 WeakPolarHBondContact O-CG 3.47Å |
| 256 | F | 97.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | trans | -86.7 | -20.4 | 179.8 | -62.3 | -71.9 | 0 | 0 | 0 | 112.8 | F211 D212 L215 F251 G254 Q258 R259 L260 | F211-F256 HydrophobicContact CB-CD1 4.18Å; F211-F256 HydrophobicContact CB-CD2 4.14Å; F211-F256 HydrophobicContact CB-CE1 3.99Å; F211-F256 HydrophobicContact CB-CE2 3.93Å; F211-F256 HydrophobicContact CB-CG 4.24Å; F211-F256 HydrophobicContact CB-CZ 3.85Å; F211-F256 HydrophobicContact CD2-CD2 4.29Å; F211-F256 HydrophobicContact CD2-CE2 4.09Å; F211-F256 HydrophobicContact CG-CE2 4.49Å; D212-F256 HydrophobicContact CB-CE1 3.93Å; D212-F256 HydrophobicContact CB-CZ 4.34Å; L215-F256 HydrophobicContact CD1-CB 4.04Å; L215-F256 HydrophobicContact CD1-CD1 3.65Å; L215-F256 HydrophobicContact CD1-CG 4.26Å; F251-F256 HydrophobicContact CD1-CB 3.79Å; F251-F256 HydrophobicContact CD2-CB 3.71Å; F251-F256 HydrophobicContact CD2-CD2 4.17Å; F251-F256 HydrophobicContact CD2-CG 4.19Å; F251-F256 HydrophobicContact CE1-CB 3.53Å; F251-F256 HydrophobicContact CE2-CB 3.45Å; F251-F256 VanDerWaalsContact CE2-CB 3.45Å; F251-F256 HydrophobicContact CE2-CG 4.16Å; F251-F256 HydrophobicContact CG-CB 3.88Å; F251-F256 HydrophobicContact CG-CD2 4.4Å; F251-F256 HydrophobicContact CZ-CB 3.35Å; F251-F256 HydrophobicContact CZ-CG 4.49Å; F251-F256 WeakPolarHBondContact O-CB 3.49Å; F251-F256 WeakPolarHBondContact O-CD2 3.32Å; F251-F256 PolarHBondContact O-N 3.5Å; F251-F256 VanDerWaalsContact O-N 3.1Å; G254-F256 VanDerWaalsContact C-N 3.27Å; G254-F256 PolarHBondContact O-N 3.12Å; F256-Q258 PolarHBondContact O-N 3.1Å; F256-R259 WeakPolarHBondContact O-CB 3.35Å; F256-R259 PolarHBondContact O-N 3.25Å; F256-L260 PolarHBondContact O-N 2.75Å | ||
| 257 | I | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 176.3 | -60.4 | -173.3 | 0 | 0 | 0 | 111.7 | F251 V252 R259 L260 S261 L295 C308 V311 V312 L317 | F251-I257 HydrophobicContact CD1-CG1 3.8Å; F251-I257 HydrophobicContact CE1-CG1 3.84Å; V252-I257 HydrophobicContact CG2-CD1 3.7Å; I257-R259 PolarHBondContact O-N 2.96Å; I257-L260 WeakPolarHBondContact O-CB 3.26Å; I257-L260 PolarHBondContact O-N 3.25Å; I257-S261 PolarHBondContact O-N 2.8Å; I257-L295 HydrophobicContact CD1-CD1 4.12Å; I257-L295 HydrophobicContact CG1-CD1 3.96Å; I257-C308 HydrophobicContact CD1-CB 4.18Å; I257-V311 HydrophobicContact CB-CG1 3.76Å; I257-V311 HydrophobicContact CD1-CB 4.42Å; I257-V311 HydrophobicContact CD1-CG1 4.35Å; I257-V311 HydrophobicContact CG2-CB 4.48Å; I257-V311 HydrophobicContact CG2-CG1 3.84Å; I257-V312 HydrophobicContact CG2-CG2 3.94Å; I257-L317 HydrophobicContact CG2-CD2 4.49Å |
| 258 | Q | 95.8 | Very high | 92.7 | Very high | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -26.1 | 178.2 | 66.7 | -168 | 42.3 | 0 | 0 | 112.8 | N255 F256 S261 C315 | N255-Q258 HydrophobicContact CB-CG 4.4Å; N255-Q258 VanDerWaalsContact O-CG 3.22Å; N255-Q258 WeakPolarHBondContact O-CG 3.47Å; F256-Q258 PolarHBondContact O-N 3.1Å; Q258-S261 WeakPolarHBondContact O-CB 3.42Å; Q258-S261 PolarHBondContact O-N 3.45Å; Q258-C315 HydrophobicContact CB-CB 3.57Å |
| 259 | R | 96.2 | Very high | 90.6 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 175.3 | -72.7 | 176.4 | 65.9 | 178.3 | 2.9 | 111.4 | D212 L215 Y219 F256 I257 S261 L262 | D212-R259 PolarHBondContact O-NH2 2.71Å; D212-R259 IonicContact OD1-CZ 3.74Å; D212-R259 IonicContact OD1-NH1 3.73Å; D212-R259 PolarHBondContact OD1-NH1 2.9Å; D212-R259 IonicContact OD1-NH2 2.73Å; D212-R259 PolarHBondContact OD1-NH2 3.08Å; D212-R259 VanDerWaalsContact OD1-NH2 3.09Å; L215-R259 HydrophobicContact CD1-CB 4.05Å; Y219-R259 VanDerWaalsContact OH-CA 3.24Å; Y219-R259 WeakPolarHBondContact OH-CA 3.45Å; Y219-R259 WeakPolarHBondContact OH-CB 3.36Å; Y219-R259 PolarHBondContact OH-O 3.22Å; F256-R259 WeakPolarHBondContact O-CB 3.35Å; F256-R259 PolarHBondContact O-N 3.25Å; I257-R259 PolarHBondContact O-N 2.96Å; R259-S261 PolarHBondContact O-N 3.39Å; R259-L262 PolarHBondContact O-N 3.42Å |
| 260 | L | 96.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -28.4 | 173.2 | -62.3 | 176.9 | 0 | 0 | 0 | 112.5 | L215 F251 F256 I257 L262 L263 F264 V291 L295 | L215-L260 HydrophobicContact CD2-CD2 3.74Å; F251-L260 HydrophobicContact CE1-CD1 3.71Å; F251-L260 HydrophobicContact CE1-CG 4.27Å; F251-L260 HydrophobicContact CZ-CD1 3.79Å; F251-L260 HydrophobicContact CZ-CD2 4.32Å; F251-L260 HydrophobicContact CZ-CG 4.04Å; F256-L260 PolarHBondContact O-N 2.75Å; I257-L260 WeakPolarHBondContact O-CB 3.26Å; I257-L260 PolarHBondContact O-N 3.25Å; L260-L262 PolarHBondContact O-N 3.04Å; L260-L263 HydrophobicContact CD2-CD1 3.88Å; L260-L263 WeakPolarHBondContact O-CB 3.44Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-F264 HydrophobicContact CB-CE2 4.4Å; L260-F264 WeakPolarHBondContact O-CD2 3.27Å; L260-F264 VanDerWaalsContact O-CE2 3.28Å; L260-F264 WeakPolarHBondContact O-CE2 3.45Å; L260-V291 HydrophobicContact CD1-CG1 3.82Å; L260-V291 HydrophobicContact CD2-CG1 4.43Å; L260-L295 HydrophobicContact CD1-CD1 3.98Å |
| 261 | S | 94.7 | Very high | 85.8 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -49.1 | -37.1 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 113.4 | I257 Q258 R259 L263 F264 C315 K320 | I257-S261 PolarHBondContact O-N 2.8Å; Q258-S261 WeakPolarHBondContact O-CB 3.42Å; Q258-S261 PolarHBondContact O-N 3.45Å; R259-S261 PolarHBondContact O-N 3.39Å; S261-L263 VanDerWaalsContact C-N 3.29Å; S261-L263 PolarHBondContact O-N 3.18Å; S261-F264 PolarHBondContact O-N 2.91Å; S261-C315 PolarHBondContact OG-O 2.75Å; S261-K320 WeakPolarHBondContact O-CD 3.46Å; S261-K320 WeakPolarHBondContact O-CE 3.2Å; S261-K320 PolarHBondContact O-NZ 3.43Å; S261-K320 VanDerWaalsContact OG-CE 3.26Å; S261-K320 WeakPolarHBondContact OG-CE 3.4Å; S261-K320 PolarHBondContact OG-NZ 3.33Å |
| 262 | L | 93.6 | Very high | 83.5 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -68 | -23.9 | -179.1 | -67.4 | 172 | 0 | 0 | 0 | 113.8 | Y219 L223 R259 L260 F264 D265 | Y219-L262 HydrophobicContact CD1-CD1 4.41Å; Y219-L262 HydrophobicContact CE1-CB 3.96Å; Y219-L262 HydrophobicContact CE1-CD1 3.49Å; Y219-L262 VanDerWaalsContact CE1-CD1 3.49Å; Y219-L262 HydrophobicContact CE1-CG 4.35Å; L223-L262 HydrophobicContact CD1-CB 4.47Å; L223-L262 HydrophobicContact CD2-CB 4.39Å; R259-L262 PolarHBondContact O-N 3.42Å; L260-L262 PolarHBondContact O-N 3.04Å; L262-F264 PolarHBondContact O-N 3.22Å; L262-D265 PolarHBondContact O-N 3.49Å |
| 263 | L | 94.9 | Very high | 81.3 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -65.9 | -17.6 | 177.3 | -71.9 | 163.2 | 0 | 0 | 0 | 113.1 | I218 L223 C224 L234 L260 S261 L266 A288 | I218-L263 HydrophobicContact CG2-CD2 3.56Å; I218-L263 HydrophobicContact CG2-CG 4.47Å; L223-L263 HydrophobicContact CB-CD2 4.06Å; L223-L263 HydrophobicContact CD2-CD2 3.91Å; L223-L263 HydrophobicContact CD2-CG 4.37Å; C224-L263 PolarHBondContact SG-O 3.43Å; L234-L263 HydrophobicContact CD2-CD1 4.02Å; L260-L263 HydrophobicContact CD2-CD1 3.88Å; L260-L263 WeakPolarHBondContact O-CB 3.44Å; L260-L263 PolarHBondContact O-N 3.38Å; S261-L263 VanDerWaalsContact C-N 3.29Å; S261-L263 PolarHBondContact O-N 3.18Å; L263-L266 WeakPolarHBondContact O-CD2 3.35Å; L263-A288 HydrophobicContact CB-CB 4.46Å; L263-A288 HydrophobicContact CD1-CB 4.24Å |
| 264 | F | 94.7 | Very high | 79.6 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -102.5 | 5.7 | -173.6 | -55.6 | -75.1 | 0 | 0 | 0 | 113.2 | L260 S261 L262 L266 A288 M289 V292 L317 K320 L321 I324 | L260-F264 HydrophobicContact CB-CE2 4.4Å; L260-F264 WeakPolarHBondContact O-CD2 3.27Å; L260-F264 VanDerWaalsContact O-CE2 3.28Å; L260-F264 WeakPolarHBondContact O-CE2 3.45Å; S261-F264 PolarHBondContact O-N 2.91Å; L262-F264 PolarHBondContact O-N 3.22Å; F264-L266 PolarHBondContact O-N 3.37Å; F264-A288 HydrophobicContact CE1-CB 4.12Å; F264-A288 HydrophobicContact CZ-CB 4.01Å; F264-M289 HydrophobicContact CD1-CE 3.33Å; F264-M289 HydrophobicContact CD1-SD 3.94Å; F264-M289 HydrophobicContact CE1-CE 3.42Å; F264-M289 VanDerWaalsContact CE1-CE 3.42Å; F264-M289 HydrophobicContact CE1-CG 4.05Å; F264-M289 HydrophobicContact CE1-SD 3.42Å; F264-M289 WeakPolarHBondContact CE1-SD 3.41Å; F264-M289 HydrophobicContact CZ-SD 4.34Å; F264-V292 HydrophobicContact CE2-CG2 3.82Å; F264-V292 HydrophobicContact CZ-CG2 3.55Å; F264-L317 HydrophobicContact CB-CD1 4.28Å; F264-L317 HydrophobicContact CD2-CD1 3.05Å; F264-L317 HydrophobicContact CD2-CG 4.5Å; F264-L317 HydrophobicContact CE2-CD1 3.39Å; F264-L317 HydrophobicContact CE2-CD2 4.48Å; F264-L317 HydrophobicContact CG-CD1 3.75Å; F264-L317 HydrophobicContact CZ-CD1 4.34Å; F264-K320 HydrophobicContact CB-CB 3.82Å; F264-K320 HydrophobicContact CB-CD 4.12Å; F264-L321 HydrophobicContact CD1-CD2 4.15Å; F264-L321 HydrophobicContact CE1-CD2 4.32Å; F264-I324 HydrophobicContact CB-CD1 3.99Å; F264-I324 HydrophobicContact CD1-CD1 4.12Å |
| 265 | D | 89.7 | Confident | 78.3 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | trans | -78.8 | 58.8 | 166.5 | -64.1 | -33.4 | 0 | 0 | 0 | 109.9 | L262 Y267 K320 | L262-D265 PolarHBondContact O-N 3.49Å; D265-Y267 PolarHBondContact O-N 2.76Å; D265-K320 VanDerWaalsContact OD1-CD 3.29Å; D265-K320 WeakPolarHBondContact OD1-CD 3.28Å; D265-K320 WeakPolarHBondContact OD1-CE 3.28Å; D265-K320 IonicContact OD1-NZ 2.89Å; D265-K320 PolarHBondContact OD1-NZ 3.32Å; D265-K320 IonicContact OD2-NZ 3.96Å; D265-K320 PolarHBondContact OD2-NZ 3.18Å | ||
| 266 | L | 86.2 | Confident | 77.5 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | trans | -72.8 | -15.8 | -170.6 | -61.5 | 174.6 | 0 | 0 | 0 | 112.8 | C224 L263 F264 Q275 W277 A285 I324 | C224-L266 HydrophobicContact CB-CD2 3.79Å; L263-L266 WeakPolarHBondContact O-CD2 3.35Å; F264-L266 PolarHBondContact O-N 3.37Å; L266-Q275 PolarHBondContact O-NE2 3.22Å; L266-Q275 PolarHBondContact O-OE1 3.49Å; L266-Q275 VanDerWaalsContact O-OE1 3.11Å; L266-W277 HydrophobicContact CB-CH2 4.04Å; L266-W277 HydrophobicContact CB-CZ2 4.44Å; L266-W277 HydrophobicContact CD1-CH2 3.7Å; L266-W277 HydrophobicContact CD1-CZ3 4.39Å; L266-W277 HydrophobicContact CG-CH2 4.28Å; L266-A285 HydrophobicContact CD1-CB 4.31Å; L266-I324 HydrophobicContact CD1-CD1 3.57Å; L266-I324 HydrophobicContact CD1-CG1 4.08Å; L266-I324 HydrophobicContact CG-CD1 4.24Å | ||
| 267 | Y | 75.4 | Confident | 77.1 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | trans | -115 | 127.3 | -177.4 | -61.6 | -77.4 | 0 | 0 | 0 | 111.2 | D265 W277 I324 V327 V330 | D265-Y267 PolarHBondContact O-N 2.76Å; Y267-W277 HydrophobicContact CE1-CZ2 4.46Å; Y267-I324 HydrophobicContact CE2-CG1 4.47Å; Y267-V327 HydrophobicContact CD1-CG1 4.21Å; Y267-V327 HydrophobicContact CD2-CG1 4.33Å; Y267-V327 HydrophobicContact CE1-CG1 3.74Å; Y267-V327 HydrophobicContact CE2-CB 4.08Å; Y267-V327 HydrophobicContact CE2-CG1 3.85Å; Y267-V327 HydrophobicContact CG-CG1 4.5Å; Y267-V330 WeakPolarHBondContact OH-CG2 3.44Å | ||
| 268 | S | 60.6 | Low | 76.9 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | trans | -82.4 | 120.3 | 164.2 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | D270 | S268-D270 PolarHBondContact O-N 3.08Š| ||
| 269 | T | 52.6 | Low | 76.9 | Confident | 138 Ų | 138 | 73.9 Ų | 73.9 | 85% | 0.847 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -11.7 | 176.1 | 39.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 270 | D | 48 | Very low | 76.9 | Confident | 153 Ų | 153 | 73.6 Ų | 73.6 | 82% | 0.818 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -3.9 | -165.7 | -64.6 | -11.9 | 0 | 0 | 0 | 115 | S268 | S268-D270 PolarHBondContact O-N 3.08Š|
| 271 | S | 46.4 | Very low | 76.9 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | trans | -110 | 116.8 | -177 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | Q273 | S271-Q273 PolarHBondContact O-N 3.12Š| ||
| 272 | T | 50.5 | Low | 76.9 | Confident | 151 Ų | 151 | 74.4 Ų | 74.4 | 93% | 0.926 | 43% | 0.426 | S | S | * | . | trans | -73.2 | 2.8 | 173.6 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 273 | Q | 50.3 | Low | 77.1 | Confident | 152 Ų | 152 | 72.9 Ų | 72.9 | 71% | 0.71 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -91.5 | 139.1 | 178.3 | -70.3 | -109.7 | -14.2 | 0 | 0 | 110.1 | S271 Q275 | S271-Q273 PolarHBondContact O-N 3.12Å; Q273-Q275 PolarHBondContact O-N 3.26Å; Q273-Q275 VanDerWaalsContact O-N 3.08Å |
| 274 | P | 59.7 | Low | 77.2 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 69% | 0.688 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 118.6 | 171.7 | 23.4 | -30.6 | 0 | 0 | 0 | 108.7 | L276 | P274-L276 PolarHBondContact O-N 2.96Å; P274-L276 VanDerWaalsContact O-N 3.16Å |
| 275 | Q | 67.7 | Low | 77.4 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 27% | 0.271 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 118.6 | -175.9 | -165.7 | 173 | 12.2 | 0 | 0 | 109.7 | L266 Q273 K281 | L266-Q275 PolarHBondContact O-NE2 3.22Å; L266-Q275 PolarHBondContact O-OE1 3.49Å; L266-Q275 VanDerWaalsContact O-OE1 3.11Å; Q273-Q275 PolarHBondContact O-N 3.26Å; Q273-Q275 VanDerWaalsContact O-N 3.08Å; Q275-K281 VanDerWaalsContact NE2-NZ 3.16Å |
| 276 | L | 79.2 | Confident | 77.7 | Confident | 167 Ų | 167 | 70.3 Ų | 70.3 | 87% | 0.874 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -82 | 117.9 | 176.7 | -164.8 | 76.9 | 0 | 0 | 0 | 108.8 | P274 | P274-L276 PolarHBondContact O-N 2.96Å; P274-L276 VanDerWaalsContact O-N 3.16Å |
| 277 | W | 89.9 | Confident | 78.3 | Confident | 37 Ų | 37 | 70.6 Ų | 70.6 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 120.9 | 175 | -71.7 | 74.3 | 0 | 0 | 0 | 109.9 | L266 Y267 K281 V282 A285 P331 V334 | L266-W277 HydrophobicContact CB-CH2 4.04Å; L266-W277 HydrophobicContact CB-CZ2 4.44Å; L266-W277 HydrophobicContact CD1-CH2 3.7Å; L266-W277 HydrophobicContact CD1-CZ3 4.39Å; L266-W277 HydrophobicContact CG-CH2 4.28Å; Y267-W277 HydrophobicContact CE1-CZ2 4.46Å; W277-K281 HydrophobicContact CD2-CD 4.31Å; W277-K281 HydrophobicContact CE3-CB 4.43Å; W277-K281 HydrophobicContact CE3-CD 3.86Å; W277-K281 HydrophobicContact CE3-CG 3.81Å; W277-K281 HydrophobicContact CZ3-CD 4.2Å; W277-K281 HydrophobicContact CZ3-CG 4.03Å; W277-V282 HydrophobicContact CB-CG2 4.08Å; W277-V282 HydrophobicContact CE3-CG2 3.97Å; W277-A285 HydrophobicContact CZ3-CB 4.21Å; W277-P331 HydrophobicContact CB-CG 3.93Å; W277-P331 HydrophobicContact CD2-CG 3.78Å; W277-P331 HydrophobicContact CE3-CG 4.22Å; W277-P331 HydrophobicContact CG-CG 3.63Å; W277-V334 HydrophobicContact CE3-CG2 4.32Å; W277-V334 HydrophobicContact CH2-CG1 4.02Å; W277-V334 HydrophobicContact CZ3-CG1 4.13Å; W277-V334 HydrophobicContact CZ3-CG2 3.98Å |
| 278 | S | 93.1 | Very high | 79.3 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 153.7 | 168.2 | 72.3 | 0 | 0 | 0 | 0 | 110 | Q280 K281 V282 | S278-Q280 PolarHBondContact O-N 2.76Å; S278-K281 PolarHBondContact O-N 3.38Å; S278-K281 VanDerWaalsContact O-N 3.14Å; S278-K281 VanDerWaalsContact OG-CB 3.3Å; S278-K281 WeakPolarHBondContact OG-CB 3.27Å; S278-K281 PolarHBondContact OG-N 3.41Å; S278-V282 PolarHBondContact O-N 3.2Å; S278-V282 VanDerWaalsContact O-N 3.12Å |
| 279 | A | 95.6 | Very high | 81.1 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 69% | 0.694 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V282 V283 | A279-V282 WeakPolarHBondContact O-CB 3.46Å; A279-V282 PolarHBondContact O-N 3.01Å; A279-V283 WeakPolarHBondContact O-CG2 3.22Å; A279-V283 PolarHBondContact O-N 3.48Å; A279-V283 VanDerWaalsContact O-N 3.14Å |
| 280 | Q | 96.5 | Very high | 83.2 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.2 | -167.1 | 61.5 | 47.1 | 0 | 0 | 112.6 | G226 E231 S278 V282 V283 N284 | G226-Q280 WeakPolarHBondContact O-CG 3.35Å; E231-Q280 PolarHBondContact OE2-NE2 3.34Å; S278-Q280 PolarHBondContact O-N 2.76Å; Q280-V282 VanDerWaalsContact C-N 3.29Å; Q280-V282 PolarHBondContact O-N 3.29Å; Q280-V283 PolarHBondContact O-N 3.12Å; Q280-N284 PolarHBondContact NE2-OD1 3.3Å; Q280-N284 WeakPolarHBondContact O-CB 3.24Å; Q280-N284 PolarHBondContact O-N 3.28Å; Q280-N284 PolarHBondContact O-ND2 3.48Å; Q280-N284 PolarHBondContact O-OD1 2.98Å |
| 281 | K | 95.5 | Very high | 85.6 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.5 | -176 | 178.6 | -168.2 | 147.4 | 0 | 111.7 | C224 D225 Q275 W277 S278 A285 | C224-K281 HydrophobicContact CB-CG 4.44Å; C224-K281 WeakPolarHBondContact O-CA 3.32Å; D225-K281 VanDerWaalsContact CG-NZ 3.3Å; D225-K281 VanDerWaalsContact OD1-CD 3.27Å; D225-K281 WeakPolarHBondContact OD1-CD 3.33Å; D225-K281 WeakPolarHBondContact OD1-CE 3.21Å; D225-K281 IonicContact OD1-NZ 3.16Å; D225-K281 PolarHBondContact OD1-NZ 2.89Å; D225-K281 IonicContact OD2-NZ 3.7Å; D225-K281 PolarHBondContact OD2-NZ 3.17Å; Q275-K281 VanDerWaalsContact NE2-NZ 3.16Å; W277-K281 HydrophobicContact CD2-CD 4.31Å; W277-K281 HydrophobicContact CE3-CB 4.43Å; W277-K281 HydrophobicContact CE3-CD 3.86Å; W277-K281 HydrophobicContact CE3-CG 3.81Å; W277-K281 HydrophobicContact CZ3-CD 4.2Å; W277-K281 HydrophobicContact CZ3-CG 4.03Å; S278-K281 PolarHBondContact O-N 3.38Å; S278-K281 VanDerWaalsContact O-N 3.14Å; S278-K281 VanDerWaalsContact OG-CB 3.3Å; S278-K281 WeakPolarHBondContact OG-CB 3.27Å; S278-K281 PolarHBondContact OG-N 3.41Å; K281-A285 VanDerWaalsContact O-CB 3.29Å; K281-A285 WeakPolarHBondContact O-CB 3.49Å; K281-A285 PolarHBondContact O-N 3.14Å |
| 282 | V | 96 | Very high | 88 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -52.9 | 174.3 | 169.5 | 0 | 0 | 0 | 0 | 110 | W277 S278 A279 Q280 N284 A285 E286 P331 V334 | W277-V282 HydrophobicContact CB-CG2 4.08Å; W277-V282 HydrophobicContact CE3-CG2 3.97Å; S278-V282 PolarHBondContact O-N 3.2Å; S278-V282 VanDerWaalsContact O-N 3.12Å; A279-V282 WeakPolarHBondContact O-CB 3.46Å; A279-V282 PolarHBondContact O-N 3.01Å; Q280-V282 VanDerWaalsContact C-N 3.29Å; Q280-V282 PolarHBondContact O-N 3.29Å; V282-N284 PolarHBondContact O-N 2.85Å; V282-A285 PolarHBondContact O-N 2.64Å; V282-E286 HydrophobicContact CG1-CG 4.5Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.3Å; V282-E286 WeakPolarHBondContact O-CG 3.25Å; V282-E286 PolarHBondContact O-N 3.35Å; V282-P331 HydrophobicContact CG2-CB 4.33Å; V282-P331 HydrophobicContact CG2-CG 3.97Å; V282-V334 HydrophobicContact CB-CG2 4.18Å; V282-V334 HydrophobicContact CG1-CG2 3.8Å; V282-V334 HydrophobicContact CG2-CG2 4.12Å |
| 283 | V | 97.3 | Very high | 90.2 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | E231 A279 Q280 A285 E286 V287 | E231-V283 VanDerWaalsContact CD-CG1 3.44Å; E231-V283 HydrophobicContact CG-CG1 3.92Å; E231-V283 WeakPolarHBondContact OE2-CG1 3.45Å; A279-V283 WeakPolarHBondContact O-CG2 3.22Å; A279-V283 PolarHBondContact O-N 3.48Å; A279-V283 VanDerWaalsContact O-N 3.14Å; Q280-V283 PolarHBondContact O-N 3.12Å; V283-A285 VanDerWaalsContact C-N 3.34Å; V283-A285 PolarHBondContact O-N 3.48Å; V283-E286 PolarHBondContact O-N 3.37Å; V283-V287 HydrophobicContact CG1-CG2 4.35Å; V283-V287 WeakPolarHBondContact O-CG2 3.25Å; V283-V287 PolarHBondContact O-N 3.14Å |
| 284 | N | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 178.7 | -68.1 | -13 | 0 | 0 | 0 | 111.5 | C224 G226 V230 E231 L234 Q280 V282 E286 V287 A288 | C224-N284 HydrophobicContact CB-CB 4.3Å; C224-N284 PolarHBondContact O-ND2 2.88Å; G226-N284 PolarHBondContact O-ND2 3.36Å; V230-N284 HydrophobicContact CG1-CB 4.24Å; E231-N284 WeakPolarHBondContact CB-OD1 3.38Å; E231-N284 PolarHBondContact N-OD1 3.44Å; L234-N284 HydrophobicContact CD1-CB 4.41Å; L234-N284 VanDerWaalsContact CD1-O 3.3Å; L234-N284 WeakPolarHBondContact CD1-O 3.48Å; Q280-N284 PolarHBondContact NE2-OD1 3.3Å; Q280-N284 WeakPolarHBondContact O-CB 3.24Å; Q280-N284 PolarHBondContact O-N 3.28Å; Q280-N284 PolarHBondContact O-ND2 3.48Å; Q280-N284 PolarHBondContact O-OD1 2.98Å; V282-N284 PolarHBondContact O-N 2.85Å; N284-E286 PolarHBondContact O-N 2.88Å; N284-V287 PolarHBondContact O-N 2.85Å; N284-A288 WeakPolarHBondContact O-CB 3.29Å; N284-A288 PolarHBondContact O-N 3.17Å |
| 285 | A | 96.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L266 W277 K281 V282 V283 A288 M289 V334 | L266-A285 HydrophobicContact CD1-CB 4.31Å; W277-A285 HydrophobicContact CZ3-CB 4.21Å; K281-A285 VanDerWaalsContact O-CB 3.29Å; K281-A285 WeakPolarHBondContact O-CB 3.49Å; K281-A285 PolarHBondContact O-N 3.14Å; V282-A285 PolarHBondContact O-N 2.64Å; V283-A285 VanDerWaalsContact C-N 3.34Å; V283-A285 PolarHBondContact O-N 3.48Å; A285-A288 PolarHBondContact O-N 3.39Å; A285-M289 VanDerWaalsContact O-CG 3.24Å; A285-M289 WeakPolarHBondContact O-CG 3.25Å; A285-M289 PolarHBondContact O-N 3.14Å; A285-V334 HydrophobicContact CB-CG1 4.26Å; A285-V334 HydrophobicContact CB-CG2 4.5Å |
| 286 | E | 97 | Very high | 95.6 | Very high | 39 Ų | 39 | 29 Ų | 29 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 177.8 | -72.7 | -175.3 | -165.9 | 0 | 0 | 113.2 | V282 V283 N284 M289 Q290 D333 V334 K337 | V282-E286 HydrophobicContact CG1-CG 4.5Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.3Å; V282-E286 WeakPolarHBondContact O-CG 3.25Å; V282-E286 PolarHBondContact O-N 3.35Å; V283-E286 PolarHBondContact O-N 3.37Å; N284-E286 PolarHBondContact O-N 2.88Å; E286-M289 PolarHBondContact O-N 3.49Å; E286-Q290 WeakPolarHBondContact O-CG 3.33Å; E286-Q290 PolarHBondContact O-N 2.94Å; E286-Q290 VanDerWaalsContact O-N 3.09Å; E286-D333 WeakPolarHBondContact OE1-CB 3.36Å; E286-V334 HydrophobicContact CG-CG2 4.45Å; E286-K337 HydrophobicContact CB-CG 4.2Å; E286-K337 HydrophobicContact CG-CG 3.88Å |
| 287 | V | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 177.7 | -174 | 0 | 0 | 0 | 0 | 110 | L234 R235 V283 N284 M289 Q290 V291 | L234-V287 HydrophobicContact CB-CB 4.09Å; L234-V287 HydrophobicContact CB-CG1 3.57Å; L234-V287 HydrophobicContact CD1-CB 4.44Å; R235-V287 HydrophobicContact CG-CG1 4.09Å; V283-V287 HydrophobicContact CG1-CG2 4.35Å; V283-V287 WeakPolarHBondContact O-CG2 3.25Å; V283-V287 PolarHBondContact O-N 3.14Å; N284-V287 PolarHBondContact O-N 2.85Å; V287-M289 VanDerWaalsContact C-N 3.32Å; V287-M289 PolarHBondContact O-N 3.35Å; V287-Q290 WeakPolarHBondContact O-CA 3.42Å; V287-Q290 WeakPolarHBondContact O-CB 3.43Å; V287-Q290 PolarHBondContact O-N 2.88Å; V287-V291 PolarHBondContact O-N 2.94Å |
| 288 | A | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L234 L263 F264 N284 A285 Q290 V291 V292 | L234-A288 HydrophobicContact CD1-CB 4.14Å; L234-A288 HydrophobicContact CD2-CB 4.23Å; L263-A288 HydrophobicContact CB-CB 4.46Å; L263-A288 HydrophobicContact CD1-CB 4.24Å; F264-A288 HydrophobicContact CE1-CB 4.12Å; F264-A288 HydrophobicContact CZ-CB 4.01Å; N284-A288 WeakPolarHBondContact O-CB 3.29Å; N284-A288 PolarHBondContact O-N 3.17Å; A285-A288 PolarHBondContact O-N 3.39Å; A288-Q290 VanDerWaalsContact C-N 3.28Å; A288-Q290 PolarHBondContact O-N 3.03Å; A288-V291 PolarHBondContact O-N 3.14Å; A288-V292 PolarHBondContact O-N 3.47Å |
| 289 | M | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -33.9 | 173.7 | -68.9 | -66.7 | 175.3 | 0 | 0 | 112.6 | F264 A285 E286 V287 V292 Q293 L321 I324 K337 S338 A341 | F264-M289 HydrophobicContact CD1-CE 3.33Å; F264-M289 HydrophobicContact CD1-SD 3.94Å; F264-M289 HydrophobicContact CE1-CE 3.42Å; F264-M289 VanDerWaalsContact CE1-CE 3.42Å; F264-M289 HydrophobicContact CE1-CG 4.05Å; F264-M289 HydrophobicContact CE1-SD 3.42Å; F264-M289 WeakPolarHBondContact CE1-SD 3.41Å; F264-M289 HydrophobicContact CZ-SD 4.34Å; A285-M289 VanDerWaalsContact O-CG 3.24Å; A285-M289 WeakPolarHBondContact O-CG 3.25Å; A285-M289 PolarHBondContact O-N 3.14Å; E286-M289 PolarHBondContact O-N 3.49Å; V287-M289 VanDerWaalsContact C-N 3.32Å; V287-M289 PolarHBondContact O-N 3.35Å; M289-V292 PolarHBondContact O-N 2.86Å; M289-Q293 WeakPolarHBondContact O-CG 3.5Å; M289-Q293 PolarHBondContact O-N 3.47Å; M289-Q293 PolarHBondContact O-NE2 3.09Å; M289-Q293 VanDerWaalsContact O-NE2 3.16Å; M289-L321 HydrophobicContact CE-CD2 3.63Å; M289-L321 HydrophobicContact SD-CD2 3.32Å; M289-L321 WeakPolarHBondContact SD-CD2 3.46Å; M289-I324 HydrophobicContact CE-CD1 3.58Å; M289-K337 HydrophobicContact CB-CB 3.95Å; M289-K337 HydrophobicContact CG-CB 4.2Å; M289-S338 WeakPolarHBondContact CE-OG 3.4Å; M289-A341 HydrophobicContact CB-CB 4.28Å; M289-A341 HydrophobicContact SD-CB 3.71Å |
| 290 | Q | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 22.1 Ų | 22.1 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.7 | -39.7 | 176.1 | -70.1 | 172.2 | 38.4 | 0 | 0 | 111.6 | L238 E286 V287 A288 V292 Q293 T294 | L238-Q290 HydrophobicContact CD1-CB 4.23Å; L238-Q290 HydrophobicContact CD2-CB 4.17Å; E286-Q290 WeakPolarHBondContact O-CG 3.33Å; E286-Q290 PolarHBondContact O-N 2.94Å; E286-Q290 VanDerWaalsContact O-N 3.09Å; V287-Q290 WeakPolarHBondContact O-CA 3.42Å; V287-Q290 WeakPolarHBondContact O-CB 3.43Å; V287-Q290 PolarHBondContact O-N 2.88Å; A288-Q290 VanDerWaalsContact C-N 3.28Å; A288-Q290 PolarHBondContact O-N 3.03Å; Q290-V292 VanDerWaalsContact C-N 3.28Å; Q290-V292 PolarHBondContact O-N 3.33Å; Q290-Q293 PolarHBondContact O-N 3.14Å; Q290-Q293 VanDerWaalsContact O-N 3.16Å; Q290-T294 PolarHBondContact O-N 2.87Å; Q290-T294 PolarHBondContact O-OG1 3.43Å |
| 291 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L237 L238 L241 L260 V287 A288 T294 L295 | L237-V291 HydrophobicContact CB-CG2 4.36Å; L238-V291 HydrophobicContact CB-CG2 4.07Å; L238-V291 HydrophobicContact CD1-CG2 4.48Å; L241-V291 HydrophobicContact CD1-CG1 3.94Å; L260-V291 HydrophobicContact CD1-CG1 3.82Å; L260-V291 HydrophobicContact CD2-CG1 4.43Å; V287-V291 PolarHBondContact O-N 2.94Å; A288-V291 PolarHBondContact O-N 3.14Å; V291-T294 PolarHBondContact O-N 3.07Å; V291-L295 WeakPolarHBondContact O-CG 3.21Å; V291-L295 PolarHBondContact O-N 2.85Å |
| 292 | V | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 175.3 | 177 | 0 | 0 | 0 | 0 | 110.9 | F264 A288 M289 Q290 T294 L295 V296 L317 L321 | F264-V292 HydrophobicContact CE2-CG2 3.82Å; F264-V292 HydrophobicContact CZ-CG2 3.55Å; A288-V292 PolarHBondContact O-N 3.47Å; M289-V292 PolarHBondContact O-N 2.86Å; Q290-V292 VanDerWaalsContact C-N 3.28Å; Q290-V292 PolarHBondContact O-N 3.33Å; V292-T294 VanDerWaalsContact C-N 3.29Å; V292-T294 PolarHBondContact O-N 2.76Å; V292-L295 WeakPolarHBondContact O-CB 3.3Å; V292-L295 PolarHBondContact O-N 2.77Å; V292-V296 WeakPolarHBondContact O-CG2 3.3Å; V292-V296 PolarHBondContact O-N 3.01Å; V292-L317 HydrophobicContact CG1-CD2 4.14Å; V292-L317 HydrophobicContact CG2-CD2 3.88Å; V292-L321 HydrophobicContact CG1-CD1 4.44Å |
| 293 | Q | 96.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.2 | -43.2 | 177.5 | -77.8 | 169.2 | 78.8 | 0 | 0 | 112.2 | M289 Q290 L295 V296 A297 A341 | M289-Q293 WeakPolarHBondContact O-CG 3.5Å; M289-Q293 PolarHBondContact O-N 3.47Å; M289-Q293 PolarHBondContact O-NE2 3.09Å; M289-Q293 VanDerWaalsContact O-NE2 3.16Å; Q290-Q293 PolarHBondContact O-N 3.14Å; Q290-Q293 VanDerWaalsContact O-N 3.16Å; Q293-L295 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 3.35Å; Q293-V296 CarbonylContact O-C 3.58Å; Q293-V296 PolarHBondContact O-N 3.2Å; Q293-V296 VanDerWaalsContact O-N 3.16Å; Q293-A297 VanDerWaalsContact O-CA 3.32Å; Q293-A297 WeakPolarHBondContact O-CA 3.42Å; Q293-A297 WeakPolarHBondContact O-CB 3.48Å; Q293-A297 PolarHBondContact O-N 3.27Å; Q293-A341 HydrophobicContact CG-CB 4.03Å |
| 294 | T | 96.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 177.5 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | L238 L241 D242 Q290 V291 V292 N300 | L238-T294 WeakPolarHBondContact CD1-OG1 3.39Å; L241-T294 HydrophobicContact CB-CG2 3.89Å; D242-T294 HydrophobicContact CB-CG2 3.98Å; Q290-T294 PolarHBondContact O-N 2.87Å; Q290-T294 PolarHBondContact O-OG1 3.43Å; V291-T294 PolarHBondContact O-N 3.07Å; V292-T294 VanDerWaalsContact C-N 3.29Å; V292-T294 PolarHBondContact O-N 2.76Å; T294-N300 PolarHBondContact O-ND2 3.37Å |
| 295 | L | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.7 | -31.6 | 178.6 | -67.8 | 166.6 | 0 | 0 | 0 | 112.8 | L241 Q248 F251 I257 L260 V291 V292 Q293 C308 | L241-L295 HydrophobicContact CD1-CD2 4.19Å; L241-L295 HydrophobicContact CD1-CG 4.47Å; L241-L295 HydrophobicContact CD2-CD2 4.22Å; Q248-L295 HydrophobicContact CG-CD2 4.4Å; F251-L295 HydrophobicContact CD1-CD1 3.98Å; F251-L295 HydrophobicContact CD1-CD2 3.91Å; F251-L295 HydrophobicContact CE1-CD1 3.83Å; F251-L295 HydrophobicContact CG-CD2 4.44Å; I257-L295 HydrophobicContact CD1-CD1 4.12Å; I257-L295 HydrophobicContact CG1-CD1 3.96Å; L260-L295 HydrophobicContact CD1-CD1 3.98Å; V291-L295 WeakPolarHBondContact O-CG 3.21Å; V291-L295 PolarHBondContact O-N 2.85Å; V292-L295 WeakPolarHBondContact O-CB 3.3Å; V292-L295 PolarHBondContact O-N 2.77Å; Q293-L295 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 3.35Å; L295-C308 HydrophobicContact CB-CB 4.48Å; L295-C308 WeakPolarHBondContact O-CB 3.38Å; L295-C308 PolarHBondContact O-SG 3.07Å |
| 296 | V | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -108.8 | 15.7 | -178.4 | -64 | 0 | 0 | 0 | 0 | 113.6 | V292 Q293 T305 C308 Q309 V312 D344 | V292-V296 WeakPolarHBondContact O-CG2 3.3Å; V292-V296 PolarHBondContact O-N 3.01Å; Q293-V296 CarbonylContact O-C 3.58Å; Q293-V296 PolarHBondContact O-N 3.2Å; Q293-V296 VanDerWaalsContact O-N 3.16Å; V296-T305 WeakPolarHBondContact O-CG2 3.32Å; V296-C308 HydrophobicContact CG1-CB 3.81Å; V296-Q309 HydrophobicContact CB-CG 4.15Å; V296-Q309 HydrophobicContact CG1-CG 3.73Å; V296-V312 HydrophobicContact CG1-CG2 4.35Å; V296-D344 HydrophobicContact CB-CB 4.47Å; V296-D344 HydrophobicContact CG2-CB 3.6Å |
| 297 | A | 93.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | trans | -61.5 | 141.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q293 C299 N300 T305 | Q293-A297 VanDerWaalsContact O-CA 3.32Å; Q293-A297 WeakPolarHBondContact O-CA 3.42Å; Q293-A297 WeakPolarHBondContact O-CB 3.48Å; Q293-A297 PolarHBondContact O-N 3.27Å; A297-C299 PolarHBondContact O-N 3.49Å; A297-N300 WeakPolarHBondContact O-CB 3.43Å; A297-N300 PolarHBondContact O-N 3.25Å; A297-N300 VanDerWaalsContact O-N 3.17Å; A297-T305 PolarHBondContact O-OG1 2.95Å | ||
| 298 | P | 90.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.4 | 177.8 | -23.8 | 33.7 | 0 | 0 | 0 | 115.1 | ||
| 299 | C | 90.1 | Very high | 95.7 | Very high | 112 Ų | 112 | 42 Ų | 42 | 76% | 0.757 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.7 | 178.5 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | A297 | A297-C299 PolarHBondContact O-N 3.49Š|
| 300 | N | 93.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -70.2 | 166.2 | 175.3 | -67.2 | -20.9 | 0 | 0 | 0 | 111 | Q248 T294 A297 A302 T305 | Q248-N300 PolarHBondContact NE2-OD1 3Å; Q248-N300 PolarHBondContact OE1-ND2 3.49Å; Q248-N300 PolarHBondContact OE1-OD1 3.2Å; T294-N300 PolarHBondContact O-ND2 3.37Å; A297-N300 WeakPolarHBondContact O-CB 3.43Å; A297-N300 PolarHBondContact O-N 3.25Å; A297-N300 VanDerWaalsContact O-N 3.17Å; N300-A302 PolarHBondContact O-N 2.98Å; N300-T305 WeakPolarHBondContact CB-OG1 3.42Å |
| 301 | K | 93.7 | Very high | 95.7 | Very high | 156 Ų | 156 | 43.1 Ų | 43.1 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | trans | -60.6 | 128.1 | 172.6 | -67.2 | -177.4 | -179.9 | 179.4 | 0 | 109.7 | Q303 L304 T305 | K301-Q303 VanDerWaalsContact C-N 3.25Å; K301-Q303 PolarHBondContact O-N 3.26Å; K301-Q303 VanDerWaalsContact O-N 3.07Å; K301-L304 HydrophobicContact CB-CB 4.37Å; K301-L304 WeakPolarHBondContact O-CA 3.42Å; K301-L304 WeakPolarHBondContact O-CB 3.25Å; K301-L304 PolarHBondContact O-N 3.43Å; K301-T305 PolarHBondContact O-N 3.38Å; K301-T305 PolarHBondContact O-OG1 2.87Å | ||
| 302 | A | 93.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 69% | 0.694 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -51.2 | -39.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | N300 R306 | N300-A302 PolarHBondContact O-N 2.98Å; A302-R306 VanDerWaalsContact O-CB 3.26Å; A302-R306 WeakPolarHBondContact O-CB 3.3Å; A302-R306 PolarHBondContact O-N 3.19Å |
| 303 | Q | 94.4 | Very high | 95.7 | Very high | 152 Ų | 152 | 46.7 Ų | 46.7 | 71% | 0.71 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 177.4 | -175.2 | 179.1 | -4.6 | 0 | 0 | 112.8 | K301 R306 N307 | K301-Q303 VanDerWaalsContact C-N 3.25Å; K301-Q303 PolarHBondContact O-N 3.26Å; K301-Q303 VanDerWaalsContact O-N 3.07Å; Q303-R306 PolarHBondContact O-N 2.91Å; Q303-N307 VanDerWaalsContact O-CG 3.23Å; Q303-N307 PolarHBondContact O-N 3.25Å; Q303-N307 PolarHBondContact O-OD1 3.4Å |
| 304 | L | 95.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 177.3 | 176.7 | 57.4 | 0 | 0 | 0 | 110.4 | P245 Q248 V249 V252 K301 R306 N307 C308 | P245-L304 HydrophobicContact CB-CD2 4.41Å; Q248-L304 HydrophobicContact CB-CD2 3.84Å; Q248-L304 VanDerWaalsContact OE1-CD2 3.24Å; V249-L304 HydrophobicContact CG2-CD1 3.88Å; V249-L304 HydrophobicContact CG2-CD2 4.18Å; V252-L304 HydrophobicContact CG2-CD1 4.35Å; K301-L304 HydrophobicContact CB-CB 4.37Å; K301-L304 WeakPolarHBondContact O-CA 3.42Å; K301-L304 WeakPolarHBondContact O-CB 3.25Å; K301-L304 PolarHBondContact O-N 3.43Å; L304-R306 VanDerWaalsContact C-N 3.28Å; L304-R306 PolarHBondContact O-N 2.94Å; L304-N307 WeakPolarHBondContact O-CB 3.47Å; L304-N307 PolarHBondContact O-N 3.14Å; L304-N307 VanDerWaalsContact O-N 3.12Å; L304-C308 PolarHBondContact O-N 3.39Å; L304-C308 PolarHBondContact O-SG 2.81Å; L304-C308 VanDerWaalsContact O-SG 3.33Å |
| 305 | T | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.9 | -46.9 | 174.1 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V296 A297 N300 K301 N307 C308 Q309 | V296-T305 WeakPolarHBondContact O-CG2 3.32Å; A297-T305 PolarHBondContact O-OG1 2.95Å; N300-T305 WeakPolarHBondContact CB-OG1 3.42Å; K301-T305 PolarHBondContact O-N 3.38Å; K301-T305 PolarHBondContact O-OG1 2.87Å; T305-N307 VanDerWaalsContact C-N 3.34Å; T305-N307 PolarHBondContact O-N 2.89Å; T305-C308 PolarHBondContact O-N 3.44Å; T305-Q309 HydrophobicContact CG2-CG 4.29Å; T305-Q309 WeakPolarHBondContact O-CB 3.47Å; T305-Q309 VanDerWaalsContact O-CG 3.25Å; T305-Q309 WeakPolarHBondContact O-CG 3.33Å; T305-Q309 PolarHBondContact O-N 3.06Å |
| 306 | R | 96.3 | Very high | 95.6 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.7 | -175.8 | 61.9 | 170.4 | 154.7 | 3.6 | 112.3 | A302 Q303 L304 Q309 N310 C349 | A302-R306 VanDerWaalsContact O-CB 3.26Å; A302-R306 WeakPolarHBondContact O-CB 3.3Å; A302-R306 PolarHBondContact O-N 3.19Å; Q303-R306 PolarHBondContact O-N 2.91Å; L304-R306 VanDerWaalsContact C-N 3.28Å; L304-R306 PolarHBondContact O-N 2.94Å; R306-Q309 PolarHBondContact O-N 3.19Å; R306-N310 VanDerWaalsContact O-CG 3.26Å; R306-N310 PolarHBondContact O-N 2.98Å; R306-N310 VanDerWaalsContact O-N 3.08Å; R306-N310 PolarHBondContact O-ND2 2.94Å; R306-C349 VanDerWaalsContact NH1-CB 3.3Å; R306-C349 PolarHBondContact NH1-SG 3.04Å |
| 307 | N | 96.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 176.3 | -71.4 | -4.5 | 0 | 0 | 0 | 111 | Q303 L304 T305 Q309 N310 V311 | Q303-N307 VanDerWaalsContact O-CG 3.23Å; Q303-N307 PolarHBondContact O-N 3.25Å; Q303-N307 PolarHBondContact O-OD1 3.4Å; L304-N307 WeakPolarHBondContact O-CB 3.47Å; L304-N307 PolarHBondContact O-N 3.14Å; L304-N307 VanDerWaalsContact O-N 3.12Å; T305-N307 VanDerWaalsContact C-N 3.34Å; T305-N307 PolarHBondContact O-N 2.89Å; N307-Q309 PolarHBondContact O-N 3.34Å; N307-N310 PolarHBondContact O-N 3.03Å; N307-V311 WeakPolarHBondContact O-CG2 3.29Å; N307-V311 PolarHBondContact O-N 2.67Å; N307-V311 VanDerWaalsContact O-N 3.07Å |
| 308 | C | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.1 | -49.3 | 175 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | V252 I257 L295 V296 L304 T305 N310 V311 V312 | V252-C308 WeakPolarHBondContact CG2-SG 3.46Å; I257-C308 HydrophobicContact CD1-CB 4.18Å; L295-C308 HydrophobicContact CB-CB 4.48Å; L295-C308 WeakPolarHBondContact O-CB 3.38Å; L295-C308 PolarHBondContact O-SG 3.07Å; V296-C308 HydrophobicContact CG1-CB 3.81Å; L304-C308 PolarHBondContact O-N 3.39Å; L304-C308 PolarHBondContact O-SG 2.81Å; L304-C308 VanDerWaalsContact O-SG 3.33Å; T305-C308 PolarHBondContact O-N 3.44Å; C308-N310 VanDerWaalsContact C-N 3.29Å; C308-N310 PolarHBondContact O-N 3.06Å; C308-V311 PolarHBondContact O-N 3.21Å; C308-V311 VanDerWaalsContact O-N 3.1Å; C308-V312 VanDerWaalsContact O-CG2 3.27Å; C308-V312 WeakPolarHBondContact O-CG2 3.24Å; C308-V312 PolarHBondContact O-N 3.47Å |
| 309 | Q | 98 | Very high | 96 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 179.6 | -73.9 | 173.7 | -27.7 | 0 | 0 | 112.9 | V296 T305 R306 N307 Y313 D344 S345 R347 C349 N352 | V296-Q309 HydrophobicContact CB-CG 4.15Å; V296-Q309 HydrophobicContact CG1-CG 3.73Å; T305-Q309 HydrophobicContact CG2-CG 4.29Å; T305-Q309 WeakPolarHBondContact O-CB 3.47Å; T305-Q309 VanDerWaalsContact O-CG 3.25Å; T305-Q309 WeakPolarHBondContact O-CG 3.33Å; T305-Q309 PolarHBondContact O-N 3.06Å; R306-Q309 PolarHBondContact O-N 3.19Å; N307-Q309 PolarHBondContact O-N 3.34Å; Q309-Y313 PolarHBondContact O-N 3.34Å; Q309-Y313 VanDerWaalsContact O-N 3.14Å; Q309-D344 PolarHBondContact NE2-O 3.14Å; Q309-S345 WeakPolarHBondContact CG-O 3.32Å; Q309-R347 PolarHBondContact NE2-O 3.28Å; Q309-C349 HydrophobicContact CB-CB 4.49Å; Q309-N352 PolarHBondContact O-ND2 2.74Å |
| 310 | N | 97.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 174.7 | -70.3 | -29.4 | 0 | 0 | 0 | 111.1 | R306 N307 C308 V312 Y313 D314 | R306-N310 VanDerWaalsContact O-CG 3.26Å; R306-N310 PolarHBondContact O-N 2.98Å; R306-N310 VanDerWaalsContact O-N 3.08Å; R306-N310 PolarHBondContact O-ND2 2.94Å; N307-N310 PolarHBondContact O-N 3.03Å; C308-N310 VanDerWaalsContact C-N 3.29Å; C308-N310 PolarHBondContact O-N 3.06Å; N310-V312 VanDerWaalsContact C-N 3.34Å; N310-V312 PolarHBondContact O-N 2.92Å; N310-Y313 WeakPolarHBondContact O-CB 3.38Å; N310-Y313 PolarHBondContact O-N 3.23Å; N310-Y313 VanDerWaalsContact O-N 3.14Å; N310-D314 VanDerWaalsContact O-CG 3.23Å; N310-D314 PolarHBondContact O-N 3.05Å |
| 311 | V | 97.7 | Very high | 96.3 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | V252 I257 N307 C308 Y313 D314 C315 | V252-V311 HydrophobicContact CG1-CG2 4.41Å; I257-V311 HydrophobicContact CB-CG1 3.76Å; I257-V311 HydrophobicContact CD1-CB 4.42Å; I257-V311 HydrophobicContact CD1-CG1 4.35Å; I257-V311 HydrophobicContact CG2-CB 4.48Å; I257-V311 HydrophobicContact CG2-CG1 3.84Å; N307-V311 WeakPolarHBondContact O-CG2 3.29Å; N307-V311 PolarHBondContact O-N 2.67Å; N307-V311 VanDerWaalsContact O-N 3.07Å; C308-V311 PolarHBondContact O-N 3.21Å; C308-V311 VanDerWaalsContact O-N 3.1Å; V311-Y313 PolarHBondContact O-N 2.7Å; V311-D314 PolarHBondContact O-N 3.18Å; V311-D314 VanDerWaalsContact O-N 3.15Å; V311-C315 PolarHBondContact O-N 3.4Å; V311-C315 PolarHBondContact O-SG 2.78Å |
| 312 | V | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -37.6 | 174.3 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | I257 V296 C308 N310 L317 L318 | I257-V312 HydrophobicContact CG2-CG2 3.94Å; V296-V312 HydrophobicContact CG1-CG2 4.35Å; C308-V312 VanDerWaalsContact O-CG2 3.27Å; C308-V312 WeakPolarHBondContact O-CG2 3.24Å; C308-V312 PolarHBondContact O-N 3.47Å; N310-V312 VanDerWaalsContact C-N 3.34Å; N310-V312 PolarHBondContact O-N 2.92Å; V312-L317 HydrophobicContact CB-CD2 4.47Å; V312-L317 HydrophobicContact CG1-CB 4.09Å; V312-L317 HydrophobicContact CG1-CD2 4.08Å; V312-L317 HydrophobicContact CG1-CG 4.05Å; V312-L317 HydrophobicContact CG2-CD2 3.98Å; V312-L317 WeakPolarHBondContact O-CB 3.42Å; V312-L317 PolarHBondContact O-N 2.88Å; V312-L317 VanDerWaalsContact O-N 3.1Å; V312-L318 HydrophobicContact CG1-CB 4.21Å; V312-L318 PolarHBondContact O-N 2.98Å; V312-L318 VanDerWaalsContact O-N 3.11Å |
| 313 | Y | 97.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.7 | -52.7 | 171.2 | -176 | -73.6 | 0 | 0 | 0 | 111.5 | Q309 N310 V311 C315 G316 L318 R351 N352 Y355 | Q309-Y313 PolarHBondContact O-N 3.34Å; Q309-Y313 VanDerWaalsContact O-N 3.14Å; N310-Y313 WeakPolarHBondContact O-CB 3.38Å; N310-Y313 PolarHBondContact O-N 3.23Å; N310-Y313 VanDerWaalsContact O-N 3.14Å; V311-Y313 PolarHBondContact O-N 2.7Å; Y313-C315 VanDerWaalsContact C-N 3.26Å; Y313-C315 PolarHBondContact O-N 3.37Å; Y313-G316 PolarHBondContact O-N 3.02Å; Y313-L318 HydrophobicContact CD2-CD2 3.86Å; Y313-R351 HydrophobicContact CD2-CG 4.05Å; Y313-R351 VanDerWaalsContact CE1-NE 3.3Å; Y313-R351 HydrophobicContact CE2-CG 3.89Å; Y313-R351 HydrophobicContact CG-CG 4.47Å; Y313-N352 WeakPolarHBondContact CB-OD1 3.48Å; Y313-N352 WeakPolarHBondContact CD2-OD1 3.33Å; Y313-Y355 AromaticContact CE2-CD2 3.98Å; Y313-Y355 HydrophobicContact CE2-CD2 3.98Å; Y313-Y355 HydrophobicContact CE2-CG 4.2Å |
| 314 | D | 97.2 | Very high | 96 | Very high | 102 Ų | 102 | 34.1 Ų | 34.1 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64 | -30.3 | -170.3 | -68.1 | -32.5 | 0 | 0 | 0 | 112.8 | N310 V311 R351 | N310-D314 VanDerWaalsContact O-CG 3.23Å; N310-D314 PolarHBondContact O-N 3.05Å; V311-D314 PolarHBondContact O-N 3.18Å; V311-D314 VanDerWaalsContact O-N 3.15Å; D314-R351 IonicContact OD1-CZ 3.28Å; D314-R351 IonicContact OD1-NH1 3.03Å; D314-R351 PolarHBondContact OD1-NH1 3.15Å; D314-R351 IonicContact OD1-NH2 3.85Å; D314-R351 PolarHBondContact OD1-NH2 3.32Å; D314-R351 IonicContact OD2-NH1 2.62Å |
| 315 | C | 96.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 22% | 0.223 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.2 | 176.7 | 73.3 | 0 | 0 | 0 | 0 | 115 | Q258 S261 V311 Y313 L317 | Q258-C315 HydrophobicContact CB-CB 3.57Å; S261-C315 PolarHBondContact OG-O 2.75Å; V311-C315 PolarHBondContact O-N 3.4Å; V311-C315 PolarHBondContact O-SG 2.78Å; Y313-C315 VanDerWaalsContact C-N 3.26Å; Y313-C315 PolarHBondContact O-N 3.37Å; C315-L317 PolarHBondContact O-N 3.14Å |
| 316 | G | 96.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 7.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y313 L318 E319 K320 | Y313-G316 PolarHBondContact O-N 3.02Å; G316-L318 VanDerWaalsContact C-N 3.3Å; G316-L318 PolarHBondContact O-N 3.46Å; G316-E319 WeakPolarHBondContact O-CB 3.21Å; G316-E319 PolarHBondContact O-N 3.27Å; G316-K320 PolarHBondContact O-N 2.75Å |
| 317 | L | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -38.6 | 178.5 | 173.9 | 60.5 | 0 | 0 | 0 | 111.5 | I257 F264 V292 V312 C315 E319 K320 L321 | I257-L317 HydrophobicContact CG2-CD2 4.49Å; F264-L317 HydrophobicContact CB-CD1 4.28Å; F264-L317 HydrophobicContact CD2-CD1 3.05Å; F264-L317 HydrophobicContact CD2-CG 4.5Å; F264-L317 HydrophobicContact CE2-CD1 3.39Å; F264-L317 HydrophobicContact CE2-CD2 4.48Å; F264-L317 HydrophobicContact CG-CD1 3.75Å; F264-L317 HydrophobicContact CZ-CD1 4.34Å; V292-L317 HydrophobicContact CG1-CD2 4.14Å; V292-L317 HydrophobicContact CG2-CD2 3.88Å; V312-L317 HydrophobicContact CB-CD2 4.47Å; V312-L317 HydrophobicContact CG1-CB 4.09Å; V312-L317 HydrophobicContact CG1-CD2 4.08Å; V312-L317 HydrophobicContact CG1-CG 4.05Å; V312-L317 HydrophobicContact CG2-CD2 3.98Å; V312-L317 WeakPolarHBondContact O-CB 3.42Å; V312-L317 PolarHBondContact O-N 2.88Å; V312-L317 VanDerWaalsContact O-N 3.1Å; C315-L317 PolarHBondContact O-N 3.14Å; L317-E319 VanDerWaalsContact C-N 3.3Å; L317-E319 PolarHBondContact O-N 3.2Å; L317-K320 PolarHBondContact O-N 3.1Å; L317-L321 HydrophobicContact CD1-CG 4.29Å; L317-L321 HydrophobicContact CG-CD1 4.41Å; L317-L321 HydrophobicContact CG-CG 4.48Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 3.41Å |
| 318 | L | 96.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | 176.1 | -174.8 | 67.4 | 0 | 0 | 0 | 112.3 | V312 Y313 G316 L321 C322 L342 I346 N352 Y355 | V312-L318 HydrophobicContact CG1-CB 4.21Å; V312-L318 PolarHBondContact O-N 2.98Å; V312-L318 VanDerWaalsContact O-N 3.11Å; Y313-L318 HydrophobicContact CD2-CD2 3.86Å; G316-L318 VanDerWaalsContact C-N 3.3Å; G316-L318 PolarHBondContact O-N 3.46Å; L318-L321 PolarHBondContact O-N 2.59Å; L318-C322 PolarHBondContact O-N 3.45Å; L318-C322 PolarHBondContact O-SG 3.14Å; L318-L342 HydrophobicContact CD1-CD1 3.56Å; L318-I346 HydrophobicContact CD1-CG2 3.88Å; L318-N352 HydrophobicContact CD2-CB 3.7Å; L318-Y355 HydrophobicContact CD2-CD1 3.69Å; L318-Y355 HydrophobicContact CD2-CE1 4.42Å; L318-Y355 HydrophobicContact CD2-CG 3.99Å; L318-Y355 HydrophobicContact CG-CD1 4.05Å; L318-Y355 HydrophobicContact CG-CE1 4.38Å |
| 319 | E | 94.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.2 | 176.3 | 173.1 | 173 | 0 | 0 | 111.3 | G316 L317 L321 C322 N323 Y355 | G316-E319 WeakPolarHBondContact O-CB 3.21Å; G316-E319 PolarHBondContact O-N 3.27Å; L317-E319 VanDerWaalsContact C-N 3.3Å; L317-E319 PolarHBondContact O-N 3.2Å; E319-L321 PolarHBondContact O-N 3.01Å; E319-C322 WeakPolarHBondContact O-CB 3.47Å; E319-C322 PolarHBondContact O-N 3.22Å; E319-N323 VanDerWaalsContact O-CG 3.26Å; E319-N323 PolarHBondContact O-N 3.39Å; E319-N323 PolarHBondContact O-ND2 3.25Å; E319-Y355 WeakPolarHBondContact CB-OH 3.42Å; E319-Y355 VanDerWaalsContact CG-OH 3.25Å; E319-Y355 WeakPolarHBondContact CG-OH 3.32Å |
| 320 | K | 94.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.9 | -63 | -177.3 | -175.4 | -163.7 | 0 | 112.2 | S261 F264 D265 G316 L317 C322 N323 I324 | S261-K320 WeakPolarHBondContact O-CD 3.46Å; S261-K320 WeakPolarHBondContact O-CE 3.2Å; S261-K320 PolarHBondContact O-NZ 3.43Å; S261-K320 VanDerWaalsContact OG-CE 3.26Å; S261-K320 WeakPolarHBondContact OG-CE 3.4Å; S261-K320 PolarHBondContact OG-NZ 3.33Å; F264-K320 HydrophobicContact CB-CB 3.82Å; F264-K320 HydrophobicContact CB-CD 4.12Å; D265-K320 VanDerWaalsContact OD1-CD 3.29Å; D265-K320 WeakPolarHBondContact OD1-CD 3.28Å; D265-K320 WeakPolarHBondContact OD1-CE 3.28Å; D265-K320 IonicContact OD1-NZ 2.89Å; D265-K320 PolarHBondContact OD1-NZ 3.32Å; D265-K320 IonicContact OD2-NZ 3.96Å; D265-K320 PolarHBondContact OD2-NZ 3.18Å; G316-K320 PolarHBondContact O-N 2.75Å; L317-K320 PolarHBondContact O-N 3.1Å; K320-C322 VanDerWaalsContact C-N 3.35Å; K320-C322 PolarHBondContact O-N 3.3Å; K320-N323 PolarHBondContact O-N 3.38Å; K320-I324 VanDerWaalsContact O-CG1 3.32Å; K320-I324 WeakPolarHBondContact O-CG1 3.42Å; K320-I324 PolarHBondContact O-N 2.97Å |
| 321 | L | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 174 | -66.6 | 177.8 | 0 | 0 | 0 | 111.5 | F264 M289 V292 L317 L318 E319 I324 V325 A341 L342 | F264-L321 HydrophobicContact CD1-CD2 4.15Å; F264-L321 HydrophobicContact CE1-CD2 4.32Å; M289-L321 HydrophobicContact CE-CD2 3.63Å; M289-L321 HydrophobicContact SD-CD2 3.32Å; M289-L321 WeakPolarHBondContact SD-CD2 3.46Å; V292-L321 HydrophobicContact CG1-CD1 4.44Å; L317-L321 HydrophobicContact CD1-CG 4.29Å; L317-L321 HydrophobicContact CG-CD1 4.41Å; L317-L321 HydrophobicContact CG-CG 4.48Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 3.41Å; L318-L321 PolarHBondContact O-N 2.59Å; E319-L321 PolarHBondContact O-N 3.01Å; L321-I324 PolarHBondContact O-N 2.86Å; L321-V325 WeakPolarHBondContact O-CG2 3.19Å; L321-V325 PolarHBondContact O-N 3.5Å; L321-V325 VanDerWaalsContact O-N 3.15Å; L321-A341 HydrophobicContact CD1-CB 4.27Å; L321-A341 HydrophobicContact CD2-CB 4.19Å; L321-L342 HydrophobicContact CB-CB 4.43Å |
| 322 | C | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 174.3 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | L318 E319 K320 I324 V325 M326 L342 L359 | L318-C322 PolarHBondContact O-N 3.45Å; L318-C322 PolarHBondContact O-SG 3.14Å; E319-C322 WeakPolarHBondContact O-CB 3.47Å; E319-C322 PolarHBondContact O-N 3.22Å; K320-C322 VanDerWaalsContact C-N 3.35Å; K320-C322 PolarHBondContact O-N 3.3Å; C322-I324 VanDerWaalsContact C-N 3.33Å; C322-I324 PolarHBondContact O-N 3.47Å; C322-V325 PolarHBondContact O-N 3.19Å; C322-V325 VanDerWaalsContact O-N 3.16Å; C322-M326 VanDerWaalsContact O-CG 3.26Å; C322-M326 WeakPolarHBondContact O-CG 3.49Å; C322-M326 PolarHBondContact O-N 3.49Å; C322-L342 VanDerWaalsContact SG-CD1 3.6Å; C322-L359 HydrophobicContact CB-CD2 3.58Å |
| 323 | N | 90.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 40.8 Ų | 40.8 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 179.1 | -70.3 | -20.6 | 0 | 0 | 0 | 111.7 | E319 K320 V325 M326 V327 | E319-N323 VanDerWaalsContact O-CG 3.26Å; E319-N323 PolarHBondContact O-N 3.39Å; E319-N323 PolarHBondContact O-ND2 3.25Å; K320-N323 PolarHBondContact O-N 3.38Å; N323-V325 VanDerWaalsContact C-N 3.33Å; N323-V325 PolarHBondContact O-N 2.94Å; N323-M326 PolarHBondContact O-N 3.38Å; N323-V327 WeakPolarHBondContact O-CB 3.47Å; N323-V327 WeakPolarHBondContact O-CG2 3.37Å; N323-V327 PolarHBondContact O-N 3.38Å |
| 324 | I | 91.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.3 | -64.6 | 162.1 | 0 | 0 | 0 | 111.2 | F264 L266 Y267 M289 K320 L321 C322 M326 V330 S338 | F264-I324 HydrophobicContact CB-CD1 3.99Å; F264-I324 HydrophobicContact CD1-CD1 4.12Å; L266-I324 HydrophobicContact CD1-CD1 3.57Å; L266-I324 HydrophobicContact CD1-CG1 4.08Å; L266-I324 HydrophobicContact CG-CD1 4.24Å; Y267-I324 HydrophobicContact CE2-CG1 4.47Å; M289-I324 HydrophobicContact CE-CD1 3.58Å; K320-I324 VanDerWaalsContact O-CG1 3.32Å; K320-I324 WeakPolarHBondContact O-CG1 3.42Å; K320-I324 PolarHBondContact O-N 2.97Å; L321-I324 PolarHBondContact O-N 2.86Å; C322-I324 VanDerWaalsContact C-N 3.33Å; C322-I324 PolarHBondContact O-N 3.47Å; I324-M326 VanDerWaalsContact C-N 3.29Å; I324-M326 PolarHBondContact O-N 2.96Å; I324-V330 HydrophobicContact CG2-CG1 4.21Å; I324-V330 HydrophobicContact CG2-CG2 4.3Å; I324-V330 WeakPolarHBondContact O-CG2 3.01Å; I324-S338 VanDerWaalsContact CG2-OG 3.24Å; I324-S338 WeakPolarHBondContact CG2-OG 3.32Å |
| 325 | V | 91.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -28.9 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | L321 C322 N323 L335 I339 L342 | L321-V325 WeakPolarHBondContact O-CG2 3.19Å; L321-V325 PolarHBondContact O-N 3.5Å; L321-V325 VanDerWaalsContact O-N 3.15Å; C322-V325 PolarHBondContact O-N 3.19Å; C322-V325 VanDerWaalsContact O-N 3.16Å; N323-V325 VanDerWaalsContact C-N 3.33Å; N323-V325 PolarHBondContact O-N 2.94Å; V325-L335 HydrophobicContact CG1-CD1 4.45Å; V325-I339 HydrophobicContact CG1-CG1 3.92Å; V325-I339 HydrophobicContact CG2-CG1 3.82Å; V325-L342 HydrophobicContact CG2-CD2 4.13Å |
| 326 | M | 85.5 | Confident | 91.5 | Very high | 35 Ų | 35 | 32 Ų | 32 | 17% | 0.172 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -93.1 | -17 | -175.7 | -61 | -55.6 | 170.8 | 0 | 0 | 114.5 | C322 N323 I324 L359 T361 A369 V372 | C322-M326 VanDerWaalsContact O-CG 3.26Å; C322-M326 WeakPolarHBondContact O-CG 3.49Å; C322-M326 PolarHBondContact O-N 3.49Å; N323-M326 PolarHBondContact O-N 3.38Å; I324-M326 VanDerWaalsContact C-N 3.29Å; I324-M326 PolarHBondContact O-N 2.96Å; M326-L359 HydrophobicContact CE-CD2 4.16Å; M326-L359 HydrophobicContact CG-CD2 4.43Å; M326-T361 HydrophobicContact CB-CG2 4.26Å; M326-T361 HydrophobicContact CE-CG2 4.25Å; M326-T361 HydrophobicContact CG-CG2 3.86Å; M326-T361 HydrophobicContact SD-CG2 3.29Å; M326-T361 WeakPolarHBondContact SD-CG2 3.08Å; M326-A369 HydrophobicContact CE-CB 3.27Å; M326-V372 HydrophobicContact SD-CB 4.31Å; M326-V372 HydrophobicContact SD-CG1 4Å |
| 327 | V | 83.5 | Confident | 91.4 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -82.9 | 141 | -177.1 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | Y267 N323 V330 | Y267-V327 HydrophobicContact CD1-CG1 4.21Å; Y267-V327 HydrophobicContact CD2-CG1 4.33Å; Y267-V327 HydrophobicContact CE1-CG1 3.74Å; Y267-V327 HydrophobicContact CE2-CB 4.08Å; Y267-V327 HydrophobicContact CE2-CG1 3.85Å; Y267-V327 HydrophobicContact CG-CG1 4.5Å; N323-V327 WeakPolarHBondContact O-CB 3.47Å; N323-V327 WeakPolarHBondContact O-CG2 3.37Å; N323-V327 PolarHBondContact O-N 3.38Å; V327-V330 WeakPolarHBondContact O-CG2 3.21Å |
| 328 | S | 81.5 | Confident | 91.4 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 142.9 | 173.3 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | F923 | S328-F923 VanDerWaalsContact CB-CB 3.46Š|
| 329 | G | 84.2 | Confident | 91.4 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 61% | 0.608 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | 4.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 330 | V | 88.8 | Confident | 91.5 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | trans | -68.1 | 129.7 | 169.7 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | Y267 I324 V327 V334 L335 | Y267-V330 WeakPolarHBondContact OH-CG2 3.44Å; I324-V330 HydrophobicContact CG2-CG1 4.21Å; I324-V330 HydrophobicContact CG2-CG2 4.3Å; I324-V330 WeakPolarHBondContact O-CG2 3.01Å; V327-V330 WeakPolarHBondContact O-CG2 3.21Å; V330-V334 HydrophobicContact CG1-CB 3.78Å; V330-V334 HydrophobicContact CG1-CG1 3.75Å; V330-L335 HydrophobicContact CB-CB 4.3Å; V330-L335 HydrophobicContact CG1-CB 3.95Å | ||
| 331 | P | 91.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 22% | 0.221 | 18% | 0.177 | C | C | . | . | trans | -56.1 | 145.2 | 170.2 | -26 | 35.9 | 0 | 0 | 0 | 111.7 | W277 V282 D333 V334 L335 | W277-P331 HydrophobicContact CB-CG 3.93Å; W277-P331 HydrophobicContact CD2-CG 3.78Å; W277-P331 HydrophobicContact CE3-CG 4.22Å; W277-P331 HydrophobicContact CG-CG 3.63Å; V282-P331 HydrophobicContact CG2-CB 4.33Å; V282-P331 HydrophobicContact CG2-CG 3.97Å; P331-D333 PolarHBondContact O-N 3.09Å; P331-V334 HydrophobicContact CB-CG2 4.24Å; P331-V334 HydrophobicContact CG-CG2 4.39Å; P331-V334 PolarHBondContact O-N 3.29Å; P331-L335 WeakPolarHBondContact O-CB 3.26Å; P331-L335 PolarHBondContact O-N 2.97Å | ||
| 332 | A | 89.9 | Confident | 91.7 | Very high | 45 Ų | 45 | 28.3 Ų | 28.3 | 37% | 0.372 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.5 | -35.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L335 T336 | A332-L335 PolarHBondContact O-N 3.36Å; A332-T336 WeakPolarHBondContact O-CB 3.29Å; A332-T336 PolarHBondContact O-N 3.39Å; A332-T336 PolarHBondContact O-OG1 2.94Å |
| 333 | D | 91.6 | Very high | 91.9 | Very high | 95 Ų | 95 | 28.3 Ų | 28.3 | 51% | 0.508 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.5 | -46.1 | -179.5 | -51.1 | -50.8 | 0 | 0 | 0 | 111.5 | E286 P331 L335 T336 K337 | E286-D333 WeakPolarHBondContact OE1-CB 3.36Å; P331-D333 PolarHBondContact O-N 3.09Å; D333-L335 PolarHBondContact O-N 3.16Å; D333-T336 WeakPolarHBondContact O-CB 3.48Å; D333-T336 PolarHBondContact O-N 3.02Å; D333-K337 WeakPolarHBondContact O-CG 3.13Å; D333-K337 PolarHBondContact O-N 3.48Å |
| 334 | V | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | W277 V282 A285 E286 V330 P331 T336 K337 S338 | W277-V334 HydrophobicContact CE3-CG2 4.32Å; W277-V334 HydrophobicContact CH2-CG1 4.02Å; W277-V334 HydrophobicContact CZ3-CG1 4.13Å; W277-V334 HydrophobicContact CZ3-CG2 3.98Å; V282-V334 HydrophobicContact CB-CG2 4.18Å; V282-V334 HydrophobicContact CG1-CG2 3.8Å; V282-V334 HydrophobicContact CG2-CG2 4.12Å; A285-V334 HydrophobicContact CB-CG1 4.26Å; A285-V334 HydrophobicContact CB-CG2 4.5Å; E286-V334 HydrophobicContact CG-CG2 4.45Å; V330-V334 HydrophobicContact CG1-CB 3.78Å; V330-V334 HydrophobicContact CG1-CG1 3.75Å; P331-V334 HydrophobicContact CB-CG2 4.24Å; P331-V334 HydrophobicContact CG-CG2 4.39Å; P331-V334 PolarHBondContact O-N 3.29Å; V334-T336 VanDerWaalsContact C-N 3.33Å; V334-T336 PolarHBondContact O-N 3.17Å; V334-K337 PolarHBondContact O-N 3.45Å; V334-S338 WeakPolarHBondContact O-CB 3.48Å; V334-S338 PolarHBondContact O-N 2.7Å; V334-S338 PolarHBondContact O-OG 2.98Å |
| 335 | L | 93.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 177.8 | 178.3 | 61.5 | 0 | 0 | 0 | 110.8 | V325 V330 P331 A332 D333 K337 S338 I339 V386 F923 | V325-L335 HydrophobicContact CG1-CD1 4.45Å; V330-L335 HydrophobicContact CB-CB 4.3Å; V330-L335 HydrophobicContact CG1-CB 3.95Å; P331-L335 WeakPolarHBondContact O-CB 3.26Å; P331-L335 PolarHBondContact O-N 2.97Å; A332-L335 PolarHBondContact O-N 3.36Å; D333-L335 PolarHBondContact O-N 3.16Å; L335-K337 PolarHBondContact O-N 3.47Å; L335-S338 WeakPolarHBondContact O-CB 3.48Å; L335-S338 PolarHBondContact O-N 3.42Å; L335-I339 HydrophobicContact CD1-CD1 4.1Å; L335-I339 HydrophobicContact CD1-CG1 4.28Å; L335-I339 HydrophobicContact CG-CD1 4Å; L335-I339 VanDerWaalsContact O-CG1 3.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.36Å; L335-I339 PolarHBondContact O-N 3.2Å; L335-V386 HydrophobicContact CD2-CG1 4.29Å; L335-V386 HydrophobicContact CD2-CG2 4.38Å; L335-F923 HydrophobicContact CD2-CE2 4.41Å |
| 336 | T | 94.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | A332 D333 V334 S338 I339 Y340 V385 V386 A389 | A332-T336 WeakPolarHBondContact O-CB 3.29Å; A332-T336 PolarHBondContact O-N 3.39Å; A332-T336 PolarHBondContact O-OG1 2.94Å; D333-T336 WeakPolarHBondContact O-CB 3.48Å; D333-T336 PolarHBondContact O-N 3.02Å; V334-T336 VanDerWaalsContact C-N 3.33Å; V334-T336 PolarHBondContact O-N 3.17Å; T336-S338 VanDerWaalsContact C-N 3.32Å; T336-S338 PolarHBondContact O-N 3.1Å; T336-I339 PolarHBondContact O-N 3.49Å; T336-Y340 HydrophobicContact CG2-CD2 3.96Å; T336-Y340 HydrophobicContact CG2-CE2 3.58Å; T336-Y340 WeakPolarHBondContact O-CD2 3.49Å; T336-Y340 PolarHBondContact O-N 3.14Å; T336-Y340 VanDerWaalsContact O-N 3.14Å; T336-V385 HydrophobicContact CG2-CB 4.27Å; T336-V386 VanDerWaalsContact OG1-CG2 3.23Å; T336-V386 WeakPolarHBondContact OG1-CG2 3.34Å; T336-A389 HydrophobicContact CG2-CB 4.16Å |
| 337 | K | 95.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 27.1 Ų | 27.1 | 27% | 0.27 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.3 | -34.6 | 177.9 | -64 | -63.8 | -178.1 | 170.6 | 0 | 112.8 | E286 M289 D333 V334 L335 Y340 A341 | E286-K337 HydrophobicContact CB-CG 4.2Å; E286-K337 HydrophobicContact CG-CG 3.88Å; M289-K337 HydrophobicContact CB-CB 3.95Å; M289-K337 HydrophobicContact CG-CB 4.2Å; D333-K337 WeakPolarHBondContact O-CG 3.13Å; D333-K337 PolarHBondContact O-N 3.48Å; V334-K337 PolarHBondContact O-N 3.45Å; L335-K337 PolarHBondContact O-N 3.47Å; K337-Y340 PolarHBondContact O-N 3.41Å; K337-A341 WeakPolarHBondContact O-CB 3.39Å; K337-A341 PolarHBondContact O-N 3.17Å |
| 338 | S | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | M289 I324 V334 L335 T336 Y340 A341 L342 | M289-S338 WeakPolarHBondContact CE-OG 3.4Å; I324-S338 VanDerWaalsContact CG2-OG 3.24Å; I324-S338 WeakPolarHBondContact CG2-OG 3.32Å; V334-S338 WeakPolarHBondContact O-CB 3.48Å; V334-S338 PolarHBondContact O-N 2.7Å; V334-S338 PolarHBondContact O-OG 2.98Å; L335-S338 WeakPolarHBondContact O-CB 3.48Å; L335-S338 PolarHBondContact O-N 3.42Å; T336-S338 VanDerWaalsContact C-N 3.32Å; T336-S338 PolarHBondContact O-N 3.1Å; S338-Y340 VanDerWaalsContact C-N 3.34Å; S338-Y340 PolarHBondContact O-N 2.86Å; S338-A341 PolarHBondContact O-N 2.88Å; S338-L342 WeakPolarHBondContact O-CB 3.5Å; S338-L342 PolarHBondContact O-N 3.2Å |
| 339 | I | 96.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.8 | -65.6 | 167 | 0 | 0 | 0 | 110.5 | V325 L335 T336 L342 A343 V386 A389 C393 | V325-I339 HydrophobicContact CG1-CG1 3.92Å; V325-I339 HydrophobicContact CG2-CG1 3.82Å; L335-I339 HydrophobicContact CD1-CD1 4.1Å; L335-I339 HydrophobicContact CD1-CG1 4.28Å; L335-I339 HydrophobicContact CG-CD1 4Å; L335-I339 VanDerWaalsContact O-CG1 3.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.36Å; L335-I339 PolarHBondContact O-N 3.2Å; T336-I339 PolarHBondContact O-N 3.49Å; I339-L342 PolarHBondContact O-N 2.94Å; I339-A343 VanDerWaalsContact O-CB 3.26Å; I339-A343 WeakPolarHBondContact O-CB 3.3Å; I339-A343 PolarHBondContact O-N 3.29Å; I339-V386 HydrophobicContact CD1-CG1 4.09Å; I339-A389 HydrophobicContact CB-CB 3.95Å; I339-A389 HydrophobicContact CD1-CB 4.42Å; I339-A389 HydrophobicContact CG2-CB 3.73Å; I339-A389 WeakPolarHBondContact CG2-O 3.49Å; I339-C393 HydrophobicContact CG2-CB 3.68Å |
| 340 | Y | 97 | Very high | 95.2 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 6% | 0.059 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 175.3 | -74.1 | -58.4 | 0 | 0 | 0 | 112.7 | T336 K337 S338 L342 A343 D344 A389 Y392 Q617 I618 | T336-Y340 HydrophobicContact CG2-CD2 3.96Å; T336-Y340 HydrophobicContact CG2-CE2 3.58Å; T336-Y340 WeakPolarHBondContact O-CD2 3.49Å; T336-Y340 PolarHBondContact O-N 3.14Å; T336-Y340 VanDerWaalsContact O-N 3.14Å; K337-Y340 PolarHBondContact O-N 3.41Å; S338-Y340 VanDerWaalsContact C-N 3.34Å; S338-Y340 PolarHBondContact O-N 2.86Å; Y340-L342 VanDerWaalsContact C-N 3.32Å; Y340-L342 PolarHBondContact O-N 2.92Å; Y340-A343 WeakPolarHBondContact O-CB 3.4Å; Y340-A343 PolarHBondContact O-N 2.85Å; Y340-A343 VanDerWaalsContact O-N 3.17Å; Y340-D344 PolarHBondContact O-N 3.32Å; Y340-A389 HydrophobicContact CD1-CB 4.41Å; Y340-A389 HydrophobicContact CD2-CB 4.17Å; Y340-A389 HydrophobicContact CE1-CB 4.01Å; Y340-A389 HydrophobicContact CE2-CB 3.8Å; Y340-A389 HydrophobicContact CG-CB 4.47Å; Y340-Y392 AromaticContact CD1-CD1 3.51Å; Y340-Y392 HydrophobicContact CD1-CD1 3.51Å; Y340-Y392 HydrophobicContact CD1-CE1 4.09Å; Y340-Y392 HydrophobicContact CD1-CG 4.28Å; Y340-Y392 AromaticContact CE1-CD1 3.84Å; Y340-Y392 HydrophobicContact CE1-CD1 3.84Å; Y340-Y392 HydrophobicContact CE1-CG 4.15Å; Y340-Q617 HydrophobicContact CD1-CG 3.86Å; Y340-Q617 HydrophobicContact CE1-CG 3.39Å; Y340-Q617 VanDerWaalsContact CG-NE2 3.33Å; Y340-Q617 VanDerWaalsContact CZ-NE2 3.31Å; Y340-I618 PolarHBondContact OH-O 3.03Å |
| 341 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | M289 Q293 L321 K337 S338 S345 | M289-A341 HydrophobicContact CB-CB 4.28Å; M289-A341 HydrophobicContact SD-CB 3.71Å; Q293-A341 HydrophobicContact CG-CB 4.03Å; L321-A341 HydrophobicContact CD1-CB 4.27Å; L321-A341 HydrophobicContact CD2-CB 4.19Å; K337-A341 WeakPolarHBondContact O-CB 3.39Å; K337-A341 PolarHBondContact O-N 3.17Å; S338-A341 PolarHBondContact O-N 2.88Å; A341-S345 VanDerWaalsContact O-CB 3.28Å; A341-S345 WeakPolarHBondContact O-CB 3.38Å; A341-S345 PolarHBondContact O-N 3.1Å; A341-S345 VanDerWaalsContact O-N 3.1Å; A341-S345 PolarHBondContact O-OG 3.36Å |
| 342 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 172.7 | 176.2 | 59.2 | 0 | 0 | 0 | 111.2 | L318 L321 C322 V325 S338 I339 Y340 D344 S345 I346 L356 | L318-L342 HydrophobicContact CD1-CD1 3.56Å; L321-L342 HydrophobicContact CB-CB 4.43Å; C322-L342 VanDerWaalsContact SG-CD1 3.6Å; V325-L342 HydrophobicContact CG2-CD2 4.13Å; S338-L342 WeakPolarHBondContact O-CB 3.5Å; S338-L342 PolarHBondContact O-N 3.2Å; I339-L342 PolarHBondContact O-N 2.94Å; Y340-L342 VanDerWaalsContact C-N 3.32Å; Y340-L342 PolarHBondContact O-N 2.92Å; L342-D344 PolarHBondContact O-N 3.14Å; L342-S345 PolarHBondContact O-N 3.39Å; L342-I346 HydrophobicContact CD1-CG2 4.05Å; L342-I346 WeakPolarHBondContact O-CG2 3.34Å; L342-I346 PolarHBondContact O-N 3.17Å; L342-I346 VanDerWaalsContact O-N 3.09Å; L342-L356 HydrophobicContact CD2-CD1 4.28Å |
| 343 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I339 Y340 S345 I346 R347 Y392 C393 C396 | I339-A343 VanDerWaalsContact O-CB 3.26Å; I339-A343 WeakPolarHBondContact O-CB 3.3Å; I339-A343 PolarHBondContact O-N 3.29Å; Y340-A343 WeakPolarHBondContact O-CB 3.4Å; Y340-A343 PolarHBondContact O-N 2.85Å; Y340-A343 VanDerWaalsContact O-N 3.17Å; A343-S345 VanDerWaalsContact C-N 3.3Å; A343-S345 PolarHBondContact O-N 3.35Å; A343-I346 VanDerWaalsContact O-CG1 3.27Å; A343-I346 WeakPolarHBondContact O-CG1 3.5Å; A343-I346 PolarHBondContact O-N 3.4Å; A343-R347 WeakPolarHBondContact O-CB 3.46Å; A343-R347 PolarHBondContact O-N 3.11Å; A343-Y392 HydrophobicContact CB-CD1 3.48Å; A343-Y392 VanDerWaalsContact CB-CD1 3.48Å; A343-Y392 HydrophobicContact CB-CE1 3.64Å; A343-C393 HydrophobicContact CB-CB 3.92Å; A343-C396 HydrophobicContact CB-CB 4.11Å; A343-C396 WeakPolarHBondContact O-CB 3.44Å |
| 344 | D | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.2 | -32.1 | 179.2 | -68.7 | -27 | 0 | 0 | 0 | 112 | V296 Q309 Y340 L342 I346 R347 Y392 | V296-D344 HydrophobicContact CB-CB 4.47Å; V296-D344 HydrophobicContact CG2-CB 3.6Å; Q309-D344 PolarHBondContact NE2-O 3.14Å; Y340-D344 PolarHBondContact O-N 3.32Å; L342-D344 PolarHBondContact O-N 3.14Å; D344-I346 VanDerWaalsContact C-N 3.31Å; D344-I346 PolarHBondContact O-N 2.97Å; D344-R347 PolarHBondContact O-N 2.81Å; D344-Y392 VanDerWaalsContact OD1-CE1 3.29Å; D344-Y392 WeakPolarHBondContact OD1-CE1 3.38Å; D344-Y392 PolarHBondContact OD1-OH 3.02Å |
| 345 | S | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.2 | -27.2 | 177.4 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | Q309 A341 L342 A343 N352 | Q309-S345 WeakPolarHBondContact CG-O 3.32Å; A341-S345 VanDerWaalsContact O-CB 3.28Å; A341-S345 WeakPolarHBondContact O-CB 3.38Å; A341-S345 PolarHBondContact O-N 3.1Å; A341-S345 VanDerWaalsContact O-N 3.1Å; A341-S345 PolarHBondContact O-OG 3.36Å; L342-S345 PolarHBondContact O-N 3.39Å; A343-S345 VanDerWaalsContact C-N 3.3Å; A343-S345 PolarHBondContact O-N 3.35Å; S345-N352 PolarHBondContact O-ND2 3.33Å |
| 346 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -97 | -21.1 | 177.5 | 69.6 | 178.7 | 0 | 0 | 0 | 113.3 | L318 L342 A343 D344 G348 C349 N352 Q353 L356 C396 | L318-I346 HydrophobicContact CD1-CG2 3.88Å; L342-I346 HydrophobicContact CD1-CG2 4.05Å; L342-I346 WeakPolarHBondContact O-CG2 3.34Å; L342-I346 PolarHBondContact O-N 3.17Å; L342-I346 VanDerWaalsContact O-N 3.09Å; A343-I346 VanDerWaalsContact O-CG1 3.27Å; A343-I346 WeakPolarHBondContact O-CG1 3.5Å; A343-I346 PolarHBondContact O-N 3.4Å; D344-I346 VanDerWaalsContact C-N 3.31Å; D344-I346 PolarHBondContact O-N 2.97Å; I346-G348 PolarHBondContact O-N 2.85Å; I346-G348 VanDerWaalsContact O-N 3.14Å; I346-C349 WeakPolarHBondContact O-CB 3.39Å; I346-C349 PolarHBondContact O-N 2.73Å; I346-N352 HydrophobicContact CB-CB 4.27Å; I346-N352 HydrophobicContact CG2-CB 4Å; I346-Q353 HydrophobicContact CB-CG 4.17Å; I346-Q353 WeakPolarHBondContact O-CG 3.25Å; I346-L356 HydrophobicContact CD1-CD2 3.48Å; I346-L356 VanDerWaalsContact CD1-CD2 3.48Å; I346-C396 HydrophobicContact CD1-CB 4.43Å; I346-C396 HydrophobicContact CG1-CB 4.07Å |
| 347 | R | 96.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 27.8 Ų | 27.8 | 33% | 0.328 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 118.3 | -169.2 | -170.5 | 179.8 | -174.3 | -84.2 | -3.4 | 112.8 | Q309 A343 D344 C349 C396 A399 | Q309-R347 PolarHBondContact NE2-O 3.28Å; A343-R347 WeakPolarHBondContact O-CB 3.46Å; A343-R347 PolarHBondContact O-N 3.11Å; D344-R347 PolarHBondContact O-N 2.81Å; R347-C349 PolarHBondContact O-N 3.24Å; R347-C396 HydrophobicContact CB-CB 3.87Å; R347-C396 HydrophobicContact CG-CB 4.09Å; R347-A399 HydrophobicContact CG-CB 4.1Å |
| 348 | G | 94.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 33% | 0.33 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 17.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I346 P350 | I346-G348 PolarHBondContact O-N 2.85Å; I346-G348 VanDerWaalsContact O-N 3.14Å; G348-P350 WeakPolarHBondContact O-CD 3.45Å |
| 349 | C | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -113.4 | 95.6 | -178.5 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | R306 Q309 I346 R347 R351 N352 Q353 | R306-C349 VanDerWaalsContact NH1-CB 3.3Å; R306-C349 PolarHBondContact NH1-SG 3.04Å; Q309-C349 HydrophobicContact CB-CB 4.49Å; I346-C349 WeakPolarHBondContact O-CB 3.39Å; I346-C349 PolarHBondContact O-N 2.73Å; R347-C349 PolarHBondContact O-N 3.24Å; C349-R351 VanDerWaalsContact C-N 3.31Å; C349-R351 PolarHBondContact O-N 3.29Å; C349-N352 HydrophobicContact CB-CB 4.08Å; C349-N352 PolarHBondContact O-N 2.86Å; C349-N352 WeakPolarHBondContact SG-CB 3.01Å; C349-N352 PolarHBondContact SG-ND2 3.01Å; C349-N352 VanDerWaalsContact SG-ND2 3.36Å; C349-N352 PolarHBondContact SG-OD1 3.45Å; C349-N352 VanDerWaalsContact SG-OD1 3.33Å; C349-Q353 WeakPolarHBondContact O-CG 3.44Å; C349-Q353 PolarHBondContact O-N 3.3Å | ||
| 350 | P | 95.7 | Very high | 96 | Very high | 70 Ų | 70 | 36 Ų | 36 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -53.8 | -43.6 | -173.9 | -30.7 | 35.6 | 0 | 0 | 0 | 114.2 | G348 N352 Q353 E354 | G348-P350 WeakPolarHBondContact O-CD 3.45Å; P350-N352 PolarHBondContact O-N 3.25Å; P350-Q353 PolarHBondContact O-N 3.26Å; P350-E354 VanDerWaalsContact O-CB 3.3Å; P350-E354 WeakPolarHBondContact O-CB 3.43Å; P350-E354 PolarHBondContact O-N 3.34Å |
| 351 | R | 96.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 35.9 Ų | 35.9 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.7 | -45 | 177.8 | -175.1 | -176.8 | -176.3 | -166.6 | 0.3 | 112.6 | Y313 D314 C349 Y355 | Y313-R351 HydrophobicContact CD2-CG 4.05Å; Y313-R351 VanDerWaalsContact CE1-NE 3.3Å; Y313-R351 HydrophobicContact CE2-CG 3.89Å; Y313-R351 HydrophobicContact CG-CG 4.47Å; D314-R351 IonicContact OD1-CZ 3.28Å; D314-R351 IonicContact OD1-NH1 3.03Å; D314-R351 PolarHBondContact OD1-NH1 3.15Å; D314-R351 IonicContact OD1-NH2 3.85Å; D314-R351 PolarHBondContact OD1-NH2 3.32Å; D314-R351 IonicContact OD2-NH1 2.62Å; C349-R351 VanDerWaalsContact C-N 3.31Å; C349-R351 PolarHBondContact O-N 3.29Å; R351-Y355 PolarHBondContact O-N 3.07Å; R351-Y355 VanDerWaalsContact O-N 3.14Å |
| 352 | N | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.8 | -33.2 | -177.4 | -62.1 | 8.8 | 0 | 0 | 0 | 111.1 | Q309 Y313 L318 S345 I346 C349 P350 Y355 L356 | Q309-N352 PolarHBondContact O-ND2 2.74Å; Y313-N352 WeakPolarHBondContact CB-OD1 3.48Å; Y313-N352 WeakPolarHBondContact CD2-OD1 3.33Å; L318-N352 HydrophobicContact CD2-CB 3.7Å; S345-N352 PolarHBondContact O-ND2 3.33Å; I346-N352 HydrophobicContact CB-CB 4.27Å; I346-N352 HydrophobicContact CG2-CB 4Å; C349-N352 HydrophobicContact CB-CB 4.08Å; C349-N352 PolarHBondContact O-N 2.86Å; C349-N352 WeakPolarHBondContact SG-CB 3.01Å; C349-N352 PolarHBondContact SG-ND2 3.01Å; C349-N352 VanDerWaalsContact SG-ND2 3.36Å; C349-N352 PolarHBondContact SG-OD1 3.45Å; C349-N352 VanDerWaalsContact SG-OD1 3.33Å; P350-N352 PolarHBondContact O-N 3.25Å; N352-Y355 WeakPolarHBondContact O-CB 3.45Å; N352-Y355 PolarHBondContact O-N 2.6Å; N352-L356 PolarHBondContact O-N 3.41Å; N352-L356 VanDerWaalsContact O-N 3.16Å |
| 353 | Q | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 172.2 | -69.5 | 167.1 | -30.1 | 0 | 0 | 111.4 | I346 C349 P350 L356 A357 C396 Y397 A399 N401 | I346-Q353 HydrophobicContact CB-CG 4.17Å; I346-Q353 WeakPolarHBondContact O-CG 3.25Å; C349-Q353 WeakPolarHBondContact O-CG 3.44Å; C349-Q353 PolarHBondContact O-N 3.3Å; P350-Q353 PolarHBondContact O-N 3.26Å; Q353-L356 PolarHBondContact O-N 3.36Å; Q353-A357 PolarHBondContact O-N 3Å; Q353-C396 PolarHBondContact NE2-O 3.22Å; Q353-Y397 HydrophobicContact CB-CD2 4.22Å; Q353-Y397 PolarHBondContact NE2-O 2.94Å; Q353-Y397 VanDerWaalsContact NE2-O 3.12Å; Q353-A399 PolarHBondContact NE2-O 3.22Å; Q353-N401 VanDerWaalsContact OE1-CB 3.32Å; Q353-N401 PolarHBondContact OE1-ND2 2.75Å |
| 354 | E | 96.3 | Very high | 92.4 | Very high | 122 Ų | 122 | 52.9 Ų | 52.9 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 175.1 | -178 | 176 | -166.4 | 0 | 0 | 111.7 | P350 L356 A357 N358 | P350-E354 VanDerWaalsContact O-CB 3.3Å; P350-E354 WeakPolarHBondContact O-CB 3.43Å; P350-E354 PolarHBondContact O-N 3.34Å; E354-L356 PolarHBondContact O-N 3.17Å; E354-A357 WeakPolarHBondContact O-CB 3.26Å; E354-A357 PolarHBondContact O-N 3Å; E354-N358 PolarHBondContact O-N 3.07Å; E354-N358 PolarHBondContact O-ND2 3.21Å |
| 355 | Y | 96.6 | Very high | 91.6 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 173.5 | -176.9 | -91.5 | 0 | 0 | 0 | 112.1 | Y313 L318 E319 R351 N352 A357 N358 L359 | Y313-Y355 AromaticContact CE2-CD2 3.98Å; Y313-Y355 HydrophobicContact CE2-CD2 3.98Å; Y313-Y355 HydrophobicContact CE2-CG 4.2Å; L318-Y355 HydrophobicContact CD2-CD1 3.69Å; L318-Y355 HydrophobicContact CD2-CE1 4.42Å; L318-Y355 HydrophobicContact CD2-CG 3.99Å; L318-Y355 HydrophobicContact CG-CD1 4.05Å; L318-Y355 HydrophobicContact CG-CE1 4.38Å; E319-Y355 WeakPolarHBondContact CB-OH 3.42Å; E319-Y355 VanDerWaalsContact CG-OH 3.25Å; E319-Y355 WeakPolarHBondContact CG-OH 3.32Å; R351-Y355 PolarHBondContact O-N 3.07Å; R351-Y355 VanDerWaalsContact O-N 3.14Å; N352-Y355 WeakPolarHBondContact O-CB 3.45Å; N352-Y355 PolarHBondContact O-N 2.6Å; Y355-A357 VanDerWaalsContact C-N 3.32Å; Y355-A357 PolarHBondContact O-N 3.34Å; Y355-N358 PolarHBondContact O-N 2.95Å; Y355-L359 PolarHBondContact O-N 2.78Å |
| 356 | L | 95.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.4 | -175.5 | 67.3 | 0 | 0 | 0 | 112 | L342 I346 N352 Q353 E354 N358 L359 A369 L373 Y397 | L342-L356 HydrophobicContact CD2-CD1 4.28Å; I346-L356 HydrophobicContact CD1-CD2 3.48Å; I346-L356 VanDerWaalsContact CD1-CD2 3.48Å; N352-L356 PolarHBondContact O-N 3.41Å; N352-L356 VanDerWaalsContact O-N 3.16Å; Q353-L356 PolarHBondContact O-N 3.36Å; E354-L356 PolarHBondContact O-N 3.17Å; L356-N358 VanDerWaalsContact C-N 3.29Å; L356-N358 PolarHBondContact O-N 3.44Å; L356-L359 PolarHBondContact O-N 3.05Å; L356-A369 HydrophobicContact CD1-CB 3.69Å; L356-A369 HydrophobicContact CG-CB 4.34Å; L356-L373 HydrophobicContact CD2-CD1 4.11Å; L356-Y397 HydrophobicContact CD2-CD2 4.3Å |
| 357 | A | 93.8 | Very high | 90.2 | Very high | 34 Ų | 34 | 61 Ų | 61 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q353 E354 Y355 Y397 | Q353-A357 PolarHBondContact O-N 3Å; E354-A357 WeakPolarHBondContact O-CB 3.26Å; E354-A357 PolarHBondContact O-N 3Å; Y355-A357 VanDerWaalsContact C-N 3.32Å; Y355-A357 PolarHBondContact O-N 3.34Å; A357-Y397 HydrophobicContact CB-CE2 3.96Å |
| 358 | N | 93.7 | Very high | 89.9 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -86.5 | -10.2 | -177.2 | -69.3 | -33 | 0 | 0 | 0 | 113.6 | E354 Y355 L356 V360 | E354-N358 PolarHBondContact O-N 3.07Å; E354-N358 PolarHBondContact O-ND2 3.21Å; Y355-N358 PolarHBondContact O-N 2.95Å; L356-N358 VanDerWaalsContact C-N 3.29Å; L356-N358 PolarHBondContact O-N 3.44Å; N358-V360 PolarHBondContact O-N 2.98Å |
| 359 | L | 92.6 | Very high | 89.8 | Confident | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | trans | -72.9 | 125.6 | 179.4 | -174.9 | 67 | 0 | 0 | 0 | 110.8 | C322 M326 Y355 L356 A369 | C322-L359 HydrophobicContact CB-CD2 3.58Å; M326-L359 HydrophobicContact CE-CD2 4.16Å; M326-L359 HydrophobicContact CG-CD2 4.43Å; Y355-L359 PolarHBondContact O-N 2.78Å; L356-L359 PolarHBondContact O-N 3.05Å; L359-A369 HydrophobicContact CB-CB 3.92Å; L359-A369 HydrophobicContact CD2-CB 4.03Å; L359-A369 HydrophobicContact CG-CB 4.19Å; L359-A369 PolarHBondContact O-N 3.33Å | ||
| 360 | V | 88.7 | Confident | 89.7 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.8 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 109 | N358 P366 | N358-V360 PolarHBondContact O-N 2.98Å; V360-P366 HydrophobicContact CG1-CB 3.55Å |
| 361 | T | 80.8 | Confident | 89.5 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 145.4 | 177.8 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | M326 S363 Q367 V372 | M326-T361 HydrophobicContact CB-CG2 4.26Å; M326-T361 HydrophobicContact CE-CG2 4.25Å; M326-T361 HydrophobicContact CG-CG2 3.86Å; M326-T361 HydrophobicContact SD-CG2 3.29Å; M326-T361 WeakPolarHBondContact SD-CG2 3.08Å; T361-S363 PolarHBondContact O-N 3.04Å; T361-S363 PolarHBondContact OG1-OG 3.41Å; T361-Q367 PolarHBondContact N-O 3.16Å; T361-Q367 PolarHBondContact OG1-O 3.29Å; T361-V372 HydrophobicContact CG2-CG2 3.81Å |
| 362 | P | 78 | Confident | 89.2 | Confident | 136 Ų | 136 | 51.7 Ų | 51.7 | 88% | 0.883 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -77.1 | 39.2 | 178.2 | 34.9 | -37.2 | 0 | 0 | 0 | 112.1 | ||
| 363 | S | 77.8 | Confident | 89 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | trans | -80.4 | 159.4 | 171.9 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | T361 P365 P366 Q367 | T361-S363 PolarHBondContact O-N 3.04Å; T361-S363 PolarHBondContact OG1-OG 3.41Å; S363-P365 VanDerWaalsContact C-C 3.46Å; S363-P365 CarbonylContact C-O 3.37Å; S363-P365 VanDerWaalsContact C-O 3.26Å; S363-P365 WeakPolarHBondContact CB-O 3.43Å; S363-P365 CarbonylContact O-C 3.59Å; S363-P365 VanDerWaalsContact O-O 3.09Å; S363-P365 PolarHBondContact OG-O 2.87Å; S363-P366 WeakPolarHBondContact O-CA 3.32Å; S363-Q367 PolarHBondContact OG-N 3.44Å | ||
| 364 | E | 77.3 | Confident | 88.9 | Confident | 181 Ų | 181 | 51.9 Ų | 51.9 | 85% | 0.846 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -109.1 | 112.1 | 167.3 | -69.7 | -167.2 | 168.6 | 0 | 0 | 109.6 | ||
| 365 | P | 81.3 | Confident | 88.7 | Confident | 43 Ų | 43 | 48 Ų | 48 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | S | Bend | cis | -70.5 | 159.6 | -5.8 | 31.8 | -36 | 0 | 0 | 0 | 112.7 | S363 Q367 | S363-P365 VanDerWaalsContact C-C 3.46Å; S363-P365 CarbonylContact C-O 3.37Å; S363-P365 VanDerWaalsContact C-O 3.26Å; S363-P365 WeakPolarHBondContact CB-O 3.43Å; S363-P365 CarbonylContact O-C 3.59Å; S363-P365 VanDerWaalsContact O-O 3.09Å; S363-P365 PolarHBondContact OG-O 2.87Å; P365-Q367 PolarHBondContact O-N 3.31Å |
| 366 | P | 82.3 | Confident | 88.6 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | trans | -61.2 | 130.1 | 177.1 | -23.5 | 33.3 | 0 | 0 | 0 | 111.3 | V360 S363 | V360-P366 HydrophobicContact CG1-CB 3.55Å; S363-P366 WeakPolarHBondContact O-CA 3.32Å | ||
| 367 | Q | 84.3 | Confident | 88.6 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.5 | -179.2 | -64.1 | -179.4 | 20.6 | 0 | 0 | 110.7 | T361 S363 P365 V372 | T361-Q367 PolarHBondContact N-O 3.16Å; T361-Q367 PolarHBondContact OG1-O 3.29Å; S363-Q367 PolarHBondContact OG-N 3.44Å; P365-Q367 PolarHBondContact O-N 3.31Å; Q367-V372 HydrophobicContact CB-CG2 3.96Å |
| 368 | S | 90.3 | Very high | 88.6 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 147.8 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 110.3 | V370 N371 V372 | S368-V370 PolarHBondContact O-N 3.17Å; S368-N371 WeakPolarHBondContact O-CB 3.47Å; S368-N371 PolarHBondContact O-N 3.36Å; S368-N371 WeakPolarHBondContact OG-CB 3.35Å; S368-N371 VanDerWaalsContact OG-CG 3.28Å; S368-N371 PolarHBondContact OG-N 2.83Å; S368-N371 PolarHBondContact OG-OD1 2.92Å; S368-V372 PolarHBondContact O-N 3.46Å |
| 369 | A | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.8 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M326 L356 L359 N371 V372 L373 | M326-A369 HydrophobicContact CE-CB 3.27Å; L356-A369 HydrophobicContact CD1-CB 3.69Å; L356-A369 HydrophobicContact CG-CB 4.34Å; L359-A369 HydrophobicContact CB-CB 3.92Å; L359-A369 HydrophobicContact CD2-CB 4.03Å; L359-A369 HydrophobicContact CG-CB 4.19Å; L359-A369 PolarHBondContact O-N 3.33Å; A369-N371 PolarHBondContact O-N 3.3Å; A369-V372 PolarHBondContact O-N 3.43Å; A369-L373 WeakPolarHBondContact O-CG 3.34Å; A369-L373 PolarHBondContact O-N 3.44Å |
| 370 | V | 93.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | S368 L373 L374 F394 Y397 I408 | S368-V370 PolarHBondContact O-N 3.17Å; V370-L373 PolarHBondContact O-N 3.4Å; V370-L374 WeakPolarHBondContact O-CG 3.27Å; V370-L374 PolarHBondContact O-N 3.38Å; V370-F394 HydrophobicContact CG1-CD2 4.06Å; V370-F394 HydrophobicContact CG1-CE2 3.82Å; V370-Y397 HydrophobicContact CG1-CD1 4.33Å; V370-Y397 HydrophobicContact CG1-CE1 4.1Å; V370-Y397 HydrophobicContact CG2-CD1 4.33Å; V370-Y397 HydrophobicContact CG2-CE1 3.99Å; V370-Y397 HydrophobicContact CG2-CE2 4.24Å; V370-I408 HydrophobicContact CG1-CD1 3.91Å |
| 371 | N | 91.9 | Very high | 88.6 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.2 | -76.4 | 2.9 | 0 | 0 | 0 | 111.6 | S368 A369 L373 L374 V375 V424 A426 L429 | S368-N371 WeakPolarHBondContact O-CB 3.47Å; S368-N371 PolarHBondContact O-N 3.36Å; S368-N371 WeakPolarHBondContact OG-CB 3.35Å; S368-N371 VanDerWaalsContact OG-CG 3.28Å; S368-N371 PolarHBondContact OG-N 2.83Å; S368-N371 PolarHBondContact OG-OD1 2.92Å; A369-N371 PolarHBondContact O-N 3.3Å; N371-L373 VanDerWaalsContact C-N 3.33Å; N371-L373 PolarHBondContact O-N 3.16Å; N371-L374 PolarHBondContact O-N 3.27Å; N371-V375 WeakPolarHBondContact O-CG2 3.43Å; N371-V375 PolarHBondContact O-N 2.9Å; N371-V424 PolarHBondContact ND2-O 3.25Å; N371-A426 PolarHBondContact OD1-N 3.07Å; N371-L429 HydrophobicContact CB-CD1 4.43Å |
| 372 | V | 91.3 | Very high | 89.1 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 176.6 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | M326 T361 Q367 S368 A369 V375 S376 | M326-V372 HydrophobicContact SD-CB 4.31Å; M326-V372 HydrophobicContact SD-CG1 4Å; T361-V372 HydrophobicContact CG2-CG2 3.81Å; Q367-V372 HydrophobicContact CB-CG2 3.96Å; S368-V372 PolarHBondContact O-N 3.46Å; A369-V372 PolarHBondContact O-N 3.43Å; V372-V375 PolarHBondContact O-N 3.05Å; V372-S376 WeakPolarHBondContact O-CB 3.19Å; V372-S376 PolarHBondContact O-N 3.33Å; V372-S376 PolarHBondContact O-OG 2.93Å |
| 373 | L | 93.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 172 | -70.9 | 172.3 | 0 | 0 | 0 | 111.6 | L356 A369 V370 N371 S376 M377 C393 | L356-L373 HydrophobicContact CD2-CD1 4.11Å; A369-L373 WeakPolarHBondContact O-CG 3.34Å; A369-L373 PolarHBondContact O-N 3.44Å; V370-L373 PolarHBondContact O-N 3.4Å; N371-L373 VanDerWaalsContact C-N 3.33Å; N371-L373 PolarHBondContact O-N 3.16Å; L373-S376 PolarHBondContact O-N 3.44Å; L373-M377 VanDerWaalsContact O-CB 3.32Å; L373-M377 WeakPolarHBondContact O-CB 3.39Å; L373-M377 PolarHBondContact O-N 3.28Å; L373-C393 HydrophobicContact CD1-CB 4.22Å; L373-C393 HydrophobicContact CD2-CB 4.23Å |
| 374 | L | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.8 | -71 | 175.2 | 0 | 0 | 0 | 112.5 | V370 N371 S376 M377 L378 F394 A426 L429 L430 | V370-L374 WeakPolarHBondContact O-CG 3.27Å; V370-L374 PolarHBondContact O-N 3.38Å; N371-L374 PolarHBondContact O-N 3.27Å; L374-S376 VanDerWaalsContact C-N 3.33Å; L374-M377 HydrophobicContact CD2-CE 3.68Å; L374-M377 HydrophobicContact CD2-SD 4.5Å; L374-M377 PolarHBondContact O-N 3.42Å; L374-L378 WeakPolarHBondContact O-CB 3.47Å; L374-L378 VanDerWaalsContact O-CG 3.26Å; L374-L378 WeakPolarHBondContact O-CG 3.39Å; L374-L378 PolarHBondContact O-N 2.86Å; L374-F394 HydrophobicContact CD1-CE2 4.14Å; L374-F394 HydrophobicContact CD2-CD1 4.39Å; L374-F394 HydrophobicContact CD2-CD2 3.86Å; L374-F394 HydrophobicContact CD2-CE1 4.36Å; L374-F394 HydrophobicContact CD2-CE2 3.83Å; L374-F394 HydrophobicContact CD2-CG 4.14Å; L374-F394 HydrophobicContact CD2-CZ 4.09Å; L374-F394 HydrophobicContact CG-CD2 4.21Å; L374-F394 HydrophobicContact CG-CE2 4.13Å; L374-A426 HydrophobicContact CD1-CB 3.57Å; L374-L429 HydrophobicContact CB-CB 4.45Å; L374-L429 HydrophobicContact CB-CD1 3.8Å; L374-L429 HydrophobicContact CD1-CD1 4.48Å; L374-L430 HydrophobicContact CD1-CG 4.45Å; L374-L430 HydrophobicContact CD2-CD2 3.83Å; L374-L430 HydrophobicContact CD2-CG 4.37Å |
| 375 | V | 93.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 41 Ų | 41 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | N371 V372 M377 L378 N379 L429 | N371-V375 WeakPolarHBondContact O-CG2 3.43Å; N371-V375 PolarHBondContact O-N 2.9Å; V372-V375 PolarHBondContact O-N 3.05Å; V375-M377 PolarHBondContact O-N 3.23Å; V375-L378 PolarHBondContact O-N 3.24Å; V375-N379 VanDerWaalsContact O-CB 3.29Å; V375-N379 WeakPolarHBondContact O-CB 3.35Å; V375-N379 PolarHBondContact O-N 3.29Å; V375-L429 HydrophobicContact CG2-CD1 3.77Å; V375-L429 HydrophobicContact CG2-CD2 3.93Å |
| 376 | S | 92.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 39 Ų | 39 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 178 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | V372 L373 L374 | V372-S376 WeakPolarHBondContact O-CB 3.19Å; V372-S376 PolarHBondContact O-N 3.33Å; V372-S376 PolarHBondContact O-OG 2.93Å; L373-S376 PolarHBondContact O-N 3.44Å; L374-S376 VanDerWaalsContact C-N 3.33Å |
| 377 | M | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 176.2 | -176.7 | -173.6 | 76.2 | 0 | 0 | 112.4 | L373 L374 V375 R387 A390 L391 L430 F443 A447 | L373-M377 VanDerWaalsContact O-CB 3.32Å; L373-M377 WeakPolarHBondContact O-CB 3.39Å; L373-M377 PolarHBondContact O-N 3.28Å; L374-M377 HydrophobicContact CD2-CE 3.68Å; L374-M377 HydrophobicContact CD2-SD 4.5Å; L374-M377 PolarHBondContact O-N 3.42Å; V375-M377 PolarHBondContact O-N 3.23Å; M377-R387 PolarHBondContact O-NE 3.24Å; M377-R387 PolarHBondContact O-NH2 3.03Å; M377-R387 VanDerWaalsContact O-NH2 3.11Å; M377-A390 HydrophobicContact CB-CB 3.99Å; M377-L391 HydrophobicContact CG-CB 4.15Å; M377-L391 HydrophobicContact SD-CB 3.82Å; M377-L391 HydrophobicContact SD-CD1 3.65Å; M377-L391 HydrophobicContact SD-CG 4.32Å; M377-L430 HydrophobicContact CE-CD2 4.18Å; M377-F443 HydrophobicContact CE-CB 4.23Å; M377-F443 HydrophobicContact CG-CB 4.01Å; M377-F443 HydrophobicContact CG-CD1 3.6Å; M377-F443 HydrophobicContact CG-CE1 4.36Å; M377-F443 HydrophobicContact CG-CG 4.02Å; M377-F443 HydrophobicContact SD-CB 4.21Å; M377-F443 HydrophobicContact SD-CD1 4.18Å; M377-A447 HydrophobicContact CE-CB 3.97Å; M377-A447 HydrophobicContact SD-CB 4.41Å |
| 378 | L | 95.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.131 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -96.1 | -6.4 | -173.1 | -62.4 | 174.6 | 0 | 0 | 0 | 113.9 | L374 V375 K380 L429 S440 F443 S444 | L374-L378 WeakPolarHBondContact O-CB 3.47Å; L374-L378 VanDerWaalsContact O-CG 3.26Å; L374-L378 WeakPolarHBondContact O-CG 3.39Å; L374-L378 PolarHBondContact O-N 2.86Å; V375-L378 PolarHBondContact O-N 3.24Å; L378-K380 PolarHBondContact O-N 3Å; L378-L429 HydrophobicContact CD1-CB 4.01Å; L378-L429 WeakPolarHBondContact CD1-O 3.25Å; L378-S440 PolarHBondContact O-OG 3.4Å; L378-F443 HydrophobicContact CD2-CB 4.14Å; L378-S444 WeakPolarHBondContact CD2-OG 3.22Å |
| 379 | N | 92.8 | Very high | 93.4 | Very high | 62 Ų | 62 | 31.3 Ų | 31.3 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | trans | -74.9 | 107.1 | 174.9 | -176.6 | 2.1 | 0 | 0 | 0 | 110.9 | V375 H381 Q382 R387 | V375-N379 VanDerWaalsContact O-CB 3.29Å; V375-N379 WeakPolarHBondContact O-CB 3.35Å; V375-N379 PolarHBondContact O-N 3.29Å; N379-H381 PolarHBondContact O-N 3.49Å; N379-H381 VanDerWaalsContact O-N 3.12Å; N379-H381 WeakPolarHBondContact OD1-CB 3.44Å; N379-H381 PolarHBondContact OD1-N 3.08Å; N379-Q382 HydrophobicContact CB-CB 4.17Å; N379-Q382 VanDerWaalsContact O-CB 3.24Å; N379-Q382 WeakPolarHBondContact O-CB 3.38Å; N379-Q382 PolarHBondContact O-N 3.49Å; N379-R387 WeakPolarHBondContact O-CD 3.49Å | ||
| 380 | K | 90.8 | Very high | 93.6 | Very high | 131 Ų | 131 | 31.4 Ų | 31.4 | 57% | 0.57 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.9 | 178 | 69.2 | -178.2 | -179.6 | 179.7 | 0 | 115.2 | L378 D438 | L378-K380 PolarHBondContact O-N 3Å; K380-D438 WeakPolarHBondContact CB-OD2 2.86Å; K380-D438 WeakPolarHBondContact CD-OD2 3.46Å |
| 381 | H | 91 | Very high | 93.8 | Very high | 158 Ų | 158 | 31.1 Ų | 31.1 | 73% | 0.731 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -10.3 | 177 | -61.1 | -69.3 | 0 | 0 | 0 | 112.8 | N379 | N379-H381 PolarHBondContact O-N 3.49Å; N379-H381 VanDerWaalsContact O-N 3.12Å; N379-H381 WeakPolarHBondContact OD1-CB 3.44Å; N379-H381 PolarHBondContact OD1-N 3.08Å |
| 382 | Q | 90.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -75.5 | 141.2 | 175.1 | -169.5 | 64.4 | 45.1 | 0 | 0 | 110 | N379 V384 V386 R387 | N379-Q382 HydrophobicContact CB-CB 4.17Å; N379-Q382 VanDerWaalsContact O-CB 3.24Å; N379-Q382 WeakPolarHBondContact O-CB 3.38Å; N379-Q382 PolarHBondContact O-N 3.49Å; Q382-V384 PolarHBondContact O-N 3.2Å; Q382-V386 HydrophobicContact CG-CB 3.81Å; Q382-V386 HydrophobicContact CG-CG1 3.66Å; Q382-R387 HydrophobicContact CB-CG 3.84Å; Q382-R387 HydrophobicContact CG-CG 4.06Å; Q382-R387 WeakPolarHBondContact O-CD 3.49Å |
| 383 | S | 92.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 33% | 0.329 | 15% | 0.151 | S | C | . | . | trans | -52.3 | 137.8 | 173.5 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | V385 V386 R387 | S383-V385 PolarHBondContact O-N 3.3Å; S383-V386 PolarHBondContact O-N 2.93Å; S383-V386 WeakPolarHBondContact OG-CB 2.92Å; S383-V386 WeakPolarHBondContact OG-CG2 3.37Å; S383-R387 PolarHBondContact O-N 2.95Å; S383-R387 VanDerWaalsContact O-N 3.13Å | ||
| 384 | V | 93.5 | Very high | 94.6 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 20% | 0.2 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.3 | -42.6 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | Q382 V386 R387 V388 V620 T623 | Q382-V384 PolarHBondContact O-N 3.2Å; V384-V386 VanDerWaalsContact C-N 3.33Å; V384-V386 PolarHBondContact O-N 3.43Å; V384-R387 WeakPolarHBondContact O-CB 3.49Å; V384-R387 PolarHBondContact O-N 3.44Å; V384-R387 VanDerWaalsContact O-N 3.11Å; V384-V388 HydrophobicContact CG1-CG2 4.19Å; V384-V388 WeakPolarHBondContact O-CG2 3.24Å; V384-V388 PolarHBondContact O-N 3.39Å; V384-V620 HydrophobicContact CG1-CG2 4.27Å; V384-T623 HydrophobicContact CB-CG2 4.46Å; V384-T623 HydrophobicContact CG1-CG2 3.9Å; V384-T623 HydrophobicContact CG2-CG2 3.74Å |
| 385 | V | 94.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 22% | 0.218 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | 179.5 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | T336 S383 A389 | T336-V385 HydrophobicContact CG2-CB 4.27Å; S383-V385 PolarHBondContact O-N 3.3Å; V385-A389 WeakPolarHBondContact O-CB 3.4Å; V385-A389 PolarHBondContact O-N 3.17Å |
| 386 | V | 94 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.1 | -39.9 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 111 | L335 T336 I339 Q382 S383 V384 V388 A389 A390 | L335-V386 HydrophobicContact CD2-CG1 4.29Å; L335-V386 HydrophobicContact CD2-CG2 4.38Å; T336-V386 VanDerWaalsContact OG1-CG2 3.23Å; T336-V386 WeakPolarHBondContact OG1-CG2 3.34Å; I339-V386 HydrophobicContact CD1-CG1 4.09Å; Q382-V386 HydrophobicContact CG-CB 3.81Å; Q382-V386 HydrophobicContact CG-CG1 3.66Å; S383-V386 PolarHBondContact O-N 2.93Å; S383-V386 WeakPolarHBondContact OG-CB 2.92Å; S383-V386 WeakPolarHBondContact OG-CG2 3.37Å; V384-V386 VanDerWaalsContact C-N 3.33Å; V384-V386 PolarHBondContact O-N 3.43Å; V386-V388 VanDerWaalsContact C-N 3.31Å; V386-V388 PolarHBondContact O-N 2.64Å; V386-A389 PolarHBondContact O-N 2.83Å; V386-A390 WeakPolarHBondContact O-CB 3.1Å; V386-A390 PolarHBondContact O-N 3.06Å |
| 387 | R | 95.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.1 | -62 | -179.6 | 67 | -174.1 | 3.4 | 111.3 | M377 N379 Q382 S383 V384 A390 L391 S439 S440 F443 | M377-R387 PolarHBondContact O-NE 3.24Å; M377-R387 PolarHBondContact O-NH2 3.03Å; M377-R387 VanDerWaalsContact O-NH2 3.11Å; N379-R387 WeakPolarHBondContact O-CD 3.49Å; Q382-R387 HydrophobicContact CB-CG 3.84Å; Q382-R387 HydrophobicContact CG-CG 4.06Å; Q382-R387 WeakPolarHBondContact O-CD 3.49Å; S383-R387 PolarHBondContact O-N 2.95Å; S383-R387 VanDerWaalsContact O-N 3.13Å; V384-R387 WeakPolarHBondContact O-CB 3.49Å; V384-R387 PolarHBondContact O-N 3.44Å; V384-R387 VanDerWaalsContact O-N 3.11Å; R387-A390 PolarHBondContact O-N 3.1Å; R387-L391 PolarHBondContact O-N 3.31Å; R387-S439 PolarHBondContact NH1-OG 3.32Å; R387-S439 VanDerWaalsContact NH1-OG 3.11Å; R387-S440 PolarHBondContact NH2-OG 2.88Å; R387-F443 HydrophobicContact CB-CE1 4.09Å; R387-F443 HydrophobicContact CB-CE2 4.29Å; R387-F443 HydrophobicContact CB-CZ 3.74Å |
| 388 | V | 96.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | V384 V386 L391 Y392 F443 I618 V620 L626 | V384-V388 HydrophobicContact CG1-CG2 4.19Å; V384-V388 WeakPolarHBondContact O-CG2 3.24Å; V384-V388 PolarHBondContact O-N 3.39Å; V386-V388 VanDerWaalsContact C-N 3.31Å; V386-V388 PolarHBondContact O-N 2.64Å; V388-L391 PolarHBondContact O-N 3.22Å; V388-Y392 PolarHBondContact O-N 3.44Å; V388-F443 HydrophobicContact CG2-CE1 4.17Å; V388-F443 HydrophobicContact CG2-CZ 3.97Å; V388-I618 HydrophobicContact CG1-CB 3.63Å; V388-I618 HydrophobicContact CG1-CG2 3.95Å; V388-I618 VanDerWaalsContact CG1-O 3.28Å; V388-I618 WeakPolarHBondContact CG1-O 3.47Å; V388-V620 HydrophobicContact CG2-CG2 3.91Å; V388-L626 HydrophobicContact CG2-CD1 4.3Å; V388-L626 HydrophobicContact CG2-CD2 4.07Å |
| 389 | A | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T336 I339 Y340 V385 V386 Y392 C393 | T336-A389 HydrophobicContact CG2-CB 4.16Å; I339-A389 HydrophobicContact CB-CB 3.95Å; I339-A389 HydrophobicContact CD1-CB 4.42Å; I339-A389 HydrophobicContact CG2-CB 3.73Å; I339-A389 WeakPolarHBondContact CG2-O 3.49Å; Y340-A389 HydrophobicContact CD1-CB 4.41Å; Y340-A389 HydrophobicContact CD2-CB 4.17Å; Y340-A389 HydrophobicContact CE1-CB 4.01Å; Y340-A389 HydrophobicContact CE2-CB 3.8Å; Y340-A389 HydrophobicContact CG-CB 4.47Å; V385-A389 WeakPolarHBondContact O-CB 3.4Å; V385-A389 PolarHBondContact O-N 3.17Å; V386-A389 PolarHBondContact O-N 2.83Å; A389-Y392 PolarHBondContact O-N 3.34Å; A389-C393 PolarHBondContact O-N 3.46Å |
| 390 | A | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | M377 V386 R387 C393 F394 | M377-A390 HydrophobicContact CB-CB 3.99Å; V386-A390 WeakPolarHBondContact O-CB 3.1Å; V386-A390 PolarHBondContact O-N 3.06Å; R387-A390 PolarHBondContact O-N 3.1Å; A390-C393 PolarHBondContact O-N 3.07Å; A390-F394 PolarHBondContact O-N 3.07Å |
| 391 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 171.2 | 174.8 | 63.1 | 0 | 0 | 0 | 111 | M377 R387 V388 C393 F394 Q395 W442 F443 V446 A447 | M377-L391 HydrophobicContact CG-CB 4.15Å; M377-L391 HydrophobicContact SD-CB 3.82Å; M377-L391 HydrophobicContact SD-CD1 3.65Å; M377-L391 HydrophobicContact SD-CG 4.32Å; R387-L391 PolarHBondContact O-N 3.31Å; V388-L391 PolarHBondContact O-N 3.22Å; L391-C393 VanDerWaalsContact C-N 3.31Å; L391-C393 PolarHBondContact O-N 3.08Å; L391-F394 WeakPolarHBondContact O-CB 3.5Å; L391-F394 PolarHBondContact O-N 3.24Å; L391-F394 VanDerWaalsContact O-N 3.13Å; L391-Q395 HydrophobicContact CD1-CG 4.2Å; L391-Q395 HydrophobicContact CG-CG 4.35Å; L391-Q395 VanDerWaalsContact O-CG 3.27Å; L391-Q395 WeakPolarHBondContact O-CG 3.32Å; L391-Q395 PolarHBondContact O-N 3.49Å; L391-W442 HydrophobicContact CD2-CH2 4.22Å; L391-W442 HydrophobicContact CD2-CZ3 3.63Å; L391-F443 HydrophobicContact CB-CD1 3.93Å; L391-F443 HydrophobicContact CB-CE1 4.08Å; L391-F443 HydrophobicContact CD2-CD1 3.76Å; L391-F443 HydrophobicContact CD2-CE1 4.02Å; L391-F443 HydrophobicContact CG-CD1 4.31Å; L391-V446 HydrophobicContact CD1-CG1 4.21Å; L391-V446 HydrophobicContact CD2-CB 4.49Å; L391-V446 HydrophobicContact CD2-CG1 4.13Å; L391-A447 HydrophobicContact CD1-CB 4.27Å |
| 392 | Y | 97.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 179.6 | -178.5 | -111.4 | 0 | 0 | 0 | 112.2 | Y340 A343 D344 V388 A389 F394 Q395 C396 P616 Q617 | Y340-Y392 AromaticContact CD1-CD1 3.51Å; Y340-Y392 HydrophobicContact CD1-CD1 3.51Å; Y340-Y392 HydrophobicContact CD1-CE1 4.09Å; Y340-Y392 HydrophobicContact CD1-CG 4.28Å; Y340-Y392 AromaticContact CE1-CD1 3.84Å; Y340-Y392 HydrophobicContact CE1-CD1 3.84Å; Y340-Y392 HydrophobicContact CE1-CG 4.15Å; A343-Y392 HydrophobicContact CB-CD1 3.48Å; A343-Y392 VanDerWaalsContact CB-CD1 3.48Å; A343-Y392 HydrophobicContact CB-CE1 3.64Å; D344-Y392 VanDerWaalsContact OD1-CE1 3.29Å; D344-Y392 WeakPolarHBondContact OD1-CE1 3.38Å; D344-Y392 PolarHBondContact OD1-OH 3.02Å; V388-Y392 PolarHBondContact O-N 3.44Å; A389-Y392 PolarHBondContact O-N 3.34Å; Y392-F394 PolarHBondContact O-N 3.41Å; Y392-Q395 WeakPolarHBondContact O-CB 3.34Å; Y392-Q395 PolarHBondContact O-N 2.74Å; Y392-C396 VanDerWaalsContact CZ-SG 3.54Å; Y392-C396 WeakPolarHBondContact O-CB 3.43Å; Y392-C396 PolarHBondContact O-N 3.1Å; Y392-C396 PolarHBondContact O-SG 2.96Å; Y392-C396 VanDerWaalsContact O-SG 3.35Å; Y392-P616 HydrophobicContact CE2-CB 3.83Å; Y392-Q617 HydrophobicContact CE2-CB 4.47Å |
| 393 | C | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 174 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | I339 A343 L373 A389 A390 L391 C396 Y397 | I339-C393 HydrophobicContact CG2-CB 3.68Å; A343-C393 HydrophobicContact CB-CB 3.92Å; L373-C393 HydrophobicContact CD1-CB 4.22Å; L373-C393 HydrophobicContact CD2-CB 4.23Å; A389-C393 PolarHBondContact O-N 3.46Å; A390-C393 PolarHBondContact O-N 3.07Å; L391-C393 VanDerWaalsContact C-N 3.31Å; L391-C393 PolarHBondContact O-N 3.08Å; C393-C396 PolarHBondContact O-N 3.49Å; C393-Y397 WeakPolarHBondContact O-CB 3.48Å; C393-Y397 PolarHBondContact O-N 3.37Å |
| 394 | F | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63 | -41 | 174.6 | -174 | -102.9 | 0 | 0 | 0 | 112.4 | V370 L374 A390 L391 Y392 Y397 L398 I408 A447 | V370-F394 HydrophobicContact CG1-CD2 4.06Å; V370-F394 HydrophobicContact CG1-CE2 3.82Å; L374-F394 HydrophobicContact CD1-CE2 4.14Å; L374-F394 HydrophobicContact CD2-CD1 4.39Å; L374-F394 HydrophobicContact CD2-CD2 3.86Å; L374-F394 HydrophobicContact CD2-CE1 4.36Å; L374-F394 HydrophobicContact CD2-CE2 3.83Å; L374-F394 HydrophobicContact CD2-CG 4.14Å; L374-F394 HydrophobicContact CD2-CZ 4.09Å; L374-F394 HydrophobicContact CG-CD2 4.21Å; L374-F394 HydrophobicContact CG-CE2 4.13Å; A390-F394 PolarHBondContact O-N 3.07Å; L391-F394 WeakPolarHBondContact O-CB 3.5Å; L391-F394 PolarHBondContact O-N 3.24Å; L391-F394 VanDerWaalsContact O-N 3.13Å; Y392-F394 PolarHBondContact O-N 3.41Å; F394-Y397 HydrophobicContact CD2-CD1 4.41Å; F394-Y397 HydrophobicContact CE2-CD1 4.41Å; F394-Y397 WeakPolarHBondContact O-CB 3.32Å; F394-Y397 PolarHBondContact O-N 3.09Å; F394-L398 HydrophobicContact CD1-CD1 3.95Å; F394-L398 HydrophobicContact CE1-CD1 3.39Å; F394-L398 HydrophobicContact CE1-CG 4.28Å; F394-L398 HydrophobicContact CZ-CD1 3.73Å; F394-L398 HydrophobicContact CZ-CG 4.34Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 2.94Å; F394-L398 VanDerWaalsContact O-N 3.12Å; F394-I408 HydrophobicContact CE2-CD1 4.28Å; F394-I408 HydrophobicContact CE2-CG1 4.31Å; F394-I408 HydrophobicContact CZ-CG1 4.24Å; F394-I408 HydrophobicContact CZ-CG2 4.27Å; F394-A447 HydrophobicContact CD1-CB 3.89Å; F394-A447 HydrophobicContact CE1-CB 3.73Å |
| 395 | Q | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.3 | -66.9 | 173.3 | -17.3 | 0 | 0 | 111.3 | L391 Y392 Y397 L398 A399 H450 D629 | L391-Q395 HydrophobicContact CD1-CG 4.2Å; L391-Q395 HydrophobicContact CG-CG 4.35Å; L391-Q395 VanDerWaalsContact O-CG 3.27Å; L391-Q395 WeakPolarHBondContact O-CG 3.32Å; L391-Q395 PolarHBondContact O-N 3.49Å; Y392-Q395 WeakPolarHBondContact O-CB 3.34Å; Y392-Q395 PolarHBondContact O-N 2.74Å; Q395-Y397 VanDerWaalsContact C-N 3.34Å; Q395-Y397 PolarHBondContact O-N 3.46Å; Q395-L398 CarbonylContact O-C 3.42Å; Q395-L398 PolarHBondContact O-N 3.42Å; Q395-A399 WeakPolarHBondContact O-CB 3.29Å; Q395-A399 PolarHBondContact O-N 2.99Å; Q395-H450 PolarHBondContact NE2-NE2 3.4Å; Q395-H450 VanDerWaalsContact NE2-NE2 3.18Å; Q395-D629 PolarHBondContact NE2-OD1 3.32Å |
| 396 | C | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.1 | -32.6 | 177.1 | -72.4 | 0 | 0 | 0 | 0 | 113.2 | A343 I346 R347 Q353 Y392 C393 L398 A399 | A343-C396 HydrophobicContact CB-CB 4.11Å; A343-C396 WeakPolarHBondContact O-CB 3.44Å; I346-C396 HydrophobicContact CD1-CB 4.43Å; I346-C396 HydrophobicContact CG1-CB 4.07Å; R347-C396 HydrophobicContact CB-CB 3.87Å; R347-C396 HydrophobicContact CG-CB 4.09Å; Q353-C396 PolarHBondContact NE2-O 3.22Å; Y392-C396 VanDerWaalsContact CZ-SG 3.54Å; Y392-C396 WeakPolarHBondContact O-CB 3.43Å; Y392-C396 PolarHBondContact O-N 3.1Å; Y392-C396 PolarHBondContact O-SG 2.96Å; Y392-C396 VanDerWaalsContact O-SG 3.35Å; C393-C396 PolarHBondContact O-N 3.49Å; C396-L398 VanDerWaalsContact C-N 3.32Å; C396-A399 PolarHBondContact O-N 3.48Å |
| 397 | Y | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 170.8 | 168.5 | -112.7 | 0 | 0 | 0 | 111.9 | Q353 L356 A357 V370 C393 F394 Q395 A404 I408 | Q353-Y397 HydrophobicContact CB-CD2 4.22Å; Q353-Y397 PolarHBondContact NE2-O 2.94Å; Q353-Y397 VanDerWaalsContact NE2-O 3.12Å; L356-Y397 HydrophobicContact CD2-CD2 4.3Å; A357-Y397 HydrophobicContact CB-CE2 3.96Å; V370-Y397 HydrophobicContact CG1-CD1 4.33Å; V370-Y397 HydrophobicContact CG1-CE1 4.1Å; V370-Y397 HydrophobicContact CG2-CD1 4.33Å; V370-Y397 HydrophobicContact CG2-CE1 3.99Å; V370-Y397 HydrophobicContact CG2-CE2 4.24Å; C393-Y397 WeakPolarHBondContact O-CB 3.48Å; C393-Y397 PolarHBondContact O-N 3.37Å; F394-Y397 HydrophobicContact CD2-CD1 4.41Å; F394-Y397 HydrophobicContact CE2-CD1 4.41Å; F394-Y397 WeakPolarHBondContact O-CB 3.32Å; F394-Y397 PolarHBondContact O-N 3.09Å; Q395-Y397 VanDerWaalsContact C-N 3.34Å; Q395-Y397 PolarHBondContact O-N 3.46Å; Y397-A404 HydrophobicContact CD1-CB 4.4Å; Y397-A404 HydrophobicContact CE1-CB 3.78Å; Y397-A404 HydrophobicContact CE2-CB 3.93Å; Y397-I408 HydrophobicContact CE1-CD1 4.35Å; Y397-I408 HydrophobicContact CE1-CG1 4.3Å |
| 398 | L | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84.6 | -20 | 179.3 | -62.4 | -179.6 | 0 | 0 | 0 | 114.1 | F394 Q395 C396 S400 N401 A404 Q405 I408 H450 C451 | F394-L398 HydrophobicContact CD1-CD1 3.95Å; F394-L398 HydrophobicContact CE1-CD1 3.39Å; F394-L398 HydrophobicContact CE1-CG 4.28Å; F394-L398 HydrophobicContact CZ-CD1 3.73Å; F394-L398 HydrophobicContact CZ-CG 4.34Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 2.94Å; F394-L398 VanDerWaalsContact O-N 3.12Å; Q395-L398 CarbonylContact O-C 3.42Å; Q395-L398 PolarHBondContact O-N 3.42Å; C396-L398 VanDerWaalsContact C-N 3.32Å; L398-S400 PolarHBondContact O-N 3.48Å; L398-S400 VanDerWaalsContact O-N 3.14Å; L398-N401 PolarHBondContact O-N 3.42Å; L398-A404 HydrophobicContact CD2-CB 4.01Å; L398-Q405 HydrophobicContact CB-CG 4.31Å; L398-Q405 HydrophobicContact CD2-CG 4.13Å; L398-I408 HydrophobicContact CD2-CG1 4.25Å; L398-H450 HydrophobicContact CD1-CB 4.06Å; L398-C451 HydrophobicContact CD1-CB 4.46Å |
| 399 | A | 95 | Very high | 96.3 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 118.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R347 Q353 Q395 C396 N401 | R347-A399 HydrophobicContact CG-CB 4.1Å; Q353-A399 PolarHBondContact NE2-O 3.22Å; Q395-A399 WeakPolarHBondContact O-CB 3.29Å; Q395-A399 PolarHBondContact O-N 2.99Å; C396-A399 PolarHBondContact O-N 3.48Å; A399-N401 PolarHBondContact O-N 3.49Å; A399-N401 VanDerWaalsContact O-N 3.14Å |
| 400 | S | 92.8 | Very high | 96.1 | Very high | 114 Ų | 114 | 31.7 Ų | 31.7 | 80% | 0.797 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 25.3 | -178 | -56.9 | 0 | 0 | 0 | 0 | 114.4 | L398 | L398-S400 PolarHBondContact O-N 3.48Å; L398-S400 VanDerWaalsContact O-N 3.14Å |
| 401 | N | 95.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | trans | -124.7 | 88.9 | -178.1 | -169.8 | -22 | 0 | 0 | 0 | 111.8 | Q353 L398 A399 Q403 A404 Q405 | Q353-N401 VanDerWaalsContact OE1-CB 3.32Å; Q353-N401 PolarHBondContact OE1-ND2 2.75Å; L398-N401 PolarHBondContact O-N 3.42Å; A399-N401 PolarHBondContact O-N 3.49Å; A399-N401 VanDerWaalsContact O-N 3.14Å; N401-Q403 PolarHBondContact O-N 2.7Å; N401-Q403 PolarHBondContact OD1-N 3.28Å; N401-Q403 VanDerWaalsContact OD1-N 3.16Å; N401-A404 HydrophobicContact CB-CB 3.99Å; N401-A404 VanDerWaalsContact CG-CB 3.47Å; N401-A404 PolarHBondContact O-N 2.95Å; N401-A404 PolarHBondContact OD1-N 3.41Å; N401-Q405 WeakPolarHBondContact O-CG 3.27Å; N401-Q405 PolarHBondContact O-N 2.85Å | ||
| 402 | H | 95.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 34.3 Ų | 34.3 | 50% | 0.495 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -25.6 | 179.8 | -63 | 178.8 | 0 | 0 | 0 | 113.2 | Q405 N406 | H402-Q405 PolarHBondContact CD2-OE1 2.91Å; H402-N406 VanDerWaalsContact O-CB 3.25Å; H402-N406 WeakPolarHBondContact O-CB 3.43Å; H402-N406 PolarHBondContact O-N 3.32Å |
| 403 | Q | 95.4 | Very high | 95.2 | Very high | 164 Ų | 164 | 34.9 Ų | 34.9 | 77% | 0.766 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -70.7 | -44.9 | 176.8 | -67.6 | 179.5 | -14.6 | 0 | 0 | 110.9 | N401 N406 A407 | N401-Q403 PolarHBondContact O-N 2.7Å; N401-Q403 PolarHBondContact OD1-N 3.28Å; N401-Q403 VanDerWaalsContact OD1-N 3.16Å; Q403-N406 PolarHBondContact O-N 3.43Å; Q403-A407 WeakPolarHBondContact O-CB 3.5Å; Q403-A407 PolarHBondContact O-N 2.9Å |
| 404 | A | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y397 L398 N401 N406 A407 I408 | Y397-A404 HydrophobicContact CD1-CB 4.4Å; Y397-A404 HydrophobicContact CE1-CB 3.78Å; Y397-A404 HydrophobicContact CE2-CB 3.93Å; L398-A404 HydrophobicContact CD2-CB 4.01Å; N401-A404 HydrophobicContact CB-CB 3.99Å; N401-A404 VanDerWaalsContact CG-CB 3.47Å; N401-A404 PolarHBondContact O-N 2.95Å; N401-A404 PolarHBondContact OD1-N 3.41Å; A404-N406 VanDerWaalsContact C-N 3.32Å; A404-N406 PolarHBondContact O-N 2.98Å; A404-A407 PolarHBondContact O-N 2.78Å; A404-I408 WeakPolarHBondContact O-CG1 3.39Å; A404-I408 PolarHBondContact O-N 2.88Å; A404-I408 VanDerWaalsContact O-N 3.11Å |
| 405 | Q | 96.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.3 | -48.9 | 172.6 | -73.4 | -179.7 | -29.4 | 0 | 0 | 111.7 | L398 N401 H402 I408 V409 H450 C451 H453 N455 L458 | L398-Q405 HydrophobicContact CB-CG 4.31Å; L398-Q405 HydrophobicContact CD2-CG 4.13Å; N401-Q405 WeakPolarHBondContact O-CG 3.27Å; N401-Q405 PolarHBondContact O-N 2.85Å; H402-Q405 PolarHBondContact CD2-OE1 2.91Å; Q405-I408 PolarHBondContact O-N 3.19Å; Q405-V409 WeakPolarHBondContact O-CG2 3.37Å; Q405-V409 PolarHBondContact O-N 2.79Å; Q405-H450 PolarHBondContact NE2-O 3.33Å; Q405-C451 WeakPolarHBondContact CB-O 3.49Å; Q405-C451 WeakPolarHBondContact CG-O 3.44Å; Q405-H453 PolarHBondContact NE2-O 3.38Å; Q405-H453 VanDerWaalsContact NE2-O 3.11Å; Q405-N455 PolarHBondContact OE1-ND2 3.15Å; Q405-N455 VanDerWaalsContact OE1-ND2 3.08Å; Q405-L458 HydrophobicContact CB-CD1 3.52Å |
| 406 | N | 96.2 | Very high | 91.1 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 178.6 | -177.6 | -76.8 | 0 | 0 | 0 | 111.3 | H402 Q403 A404 I408 V409 M410 L458 | H402-N406 VanDerWaalsContact O-CB 3.25Å; H402-N406 WeakPolarHBondContact O-CB 3.43Å; H402-N406 PolarHBondContact O-N 3.32Å; Q403-N406 PolarHBondContact O-N 3.43Å; A404-N406 VanDerWaalsContact C-N 3.32Å; A404-N406 PolarHBondContact O-N 2.98Å; N406-I408 VanDerWaalsContact C-N 3.27Å; N406-I408 PolarHBondContact O-N 3.38Å; N406-V409 PolarHBondContact O-N 3.12Å; N406-M410 WeakPolarHBondContact O-CB 3.49Å; N406-M410 WeakPolarHBondContact O-CG 3.11Å; N406-M410 PolarHBondContact O-N 3.02Å; N406-M410 WeakPolarHBondContact OD1-CG 3.37Å; N406-L458 HydrophobicContact CB-CD1 4.3Å; N406-L458 HydrophobicContact CB-CD2 4.13Å |
| 407 | A | 94.3 | Very high | 89.3 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.7 | -41.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q403 A404 T411 | Q403-A407 WeakPolarHBondContact O-CB 3.5Å; Q403-A407 PolarHBondContact O-N 2.9Å; A404-A407 PolarHBondContact O-N 2.78Å; A407-T411 VanDerWaalsContact O-CG2 3.31Å; A407-T411 WeakPolarHBondContact O-CG2 3.5Å |
| 408 | I | 95.7 | Very high | 87.3 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.8 | -50.3 | 176.3 | -58.4 | -58.6 | 0 | 0 | 0 | 111.6 | V370 F394 Y397 L398 A404 Q405 N406 M410 T411 A426 L430 | V370-I408 HydrophobicContact CG1-CD1 3.91Å; F394-I408 HydrophobicContact CE2-CD1 4.28Å; F394-I408 HydrophobicContact CE2-CG1 4.31Å; F394-I408 HydrophobicContact CZ-CG1 4.24Å; F394-I408 HydrophobicContact CZ-CG2 4.27Å; Y397-I408 HydrophobicContact CE1-CD1 4.35Å; Y397-I408 HydrophobicContact CE1-CG1 4.3Å; L398-I408 HydrophobicContact CD2-CG1 4.25Å; A404-I408 WeakPolarHBondContact O-CG1 3.39Å; A404-I408 PolarHBondContact O-N 2.88Å; A404-I408 VanDerWaalsContact O-N 3.11Å; Q405-I408 PolarHBondContact O-N 3.19Å; N406-I408 VanDerWaalsContact C-N 3.27Å; N406-I408 PolarHBondContact O-N 3.38Å; I408-M410 VanDerWaalsContact C-N 3.28Å; I408-M410 PolarHBondContact O-N 2.76Å; I408-T411 WeakPolarHBondContact O-CB 3.43Å; I408-T411 PolarHBondContact O-N 3.24Å; I408-T411 PolarHBondContact O-OG1 3.08Å; I408-A426 HydrophobicContact CD1-CB 3.83Å; I408-A426 HydrophobicContact CG2-CB 4.29Å; I408-L430 HydrophobicContact CG2-CD1 3.86Å |
| 409 | V | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | -177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | Q405 N406 T411 L412 C451 I452 L458 L462 | Q405-V409 WeakPolarHBondContact O-CG2 3.37Å; Q405-V409 PolarHBondContact O-N 2.79Å; N406-V409 PolarHBondContact O-N 3.12Å; V409-T411 PolarHBondContact O-N 2.98Å; V409-T411 VanDerWaalsContact O-N 3.15Å; V409-L412 WeakPolarHBondContact O-CB 3.32Å; V409-L412 PolarHBondContact O-N 3.43Å; V409-C451 HydrophobicContact CG2-CB 3.95Å; V409-I452 HydrophobicContact CG2-CG2 4.44Å; V409-L458 HydrophobicContact CB-CD2 4.1Å; V409-L458 HydrophobicContact CG1-CD2 4.12Å; V409-L458 HydrophobicContact CG2-CB 4.4Å; V409-L458 HydrophobicContact CG2-CD1 4.11Å; V409-L458 HydrophobicContact CG2-CD2 4.48Å; V409-L462 HydrophobicContact CG1-CD1 4.35Å |
| 410 | M | 93.4 | Very high | 83.3 | Confident | 60 Ų | 60 | 71 Ų | 71 | 30% | 0.296 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.9 | 176.6 | -67.4 | -62.2 | 141.5 | 0 | 0 | 113.4 | N406 I408 L412 L413 L458 E461 | N406-M410 WeakPolarHBondContact O-CB 3.49Å; N406-M410 WeakPolarHBondContact O-CG 3.11Å; N406-M410 PolarHBondContact O-N 3.02Å; N406-M410 WeakPolarHBondContact OD1-CG 3.37Å; I408-M410 VanDerWaalsContact C-N 3.28Å; I408-M410 PolarHBondContact O-N 2.76Å; M410-L412 VanDerWaalsContact C-N 3.27Å; M410-L413 HydrophobicContact CE-CD1 4.07Å; M410-L413 HydrophobicContact SD-CD1 3.82Å; M410-L458 HydrophobicContact CE-CD2 4.17Å; M410-E461 HydrophobicContact CE-CB 4.3Å; M410-E461 HydrophobicContact CE-CG 4Å |
| 411 | T | 93 | Very high | 81.7 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.5 | 171.6 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | A407 I408 V409 G427 | A407-T411 VanDerWaalsContact O-CG2 3.31Å; A407-T411 WeakPolarHBondContact O-CG2 3.5Å; I408-T411 WeakPolarHBondContact O-CB 3.43Å; I408-T411 PolarHBondContact O-N 3.24Å; I408-T411 PolarHBondContact O-OG1 3.08Å; V409-T411 PolarHBondContact O-N 2.98Å; V409-T411 VanDerWaalsContact O-N 3.15Å; T411-G427 VanDerWaalsContact OG1-CA 3.3Å; T411-G427 WeakPolarHBondContact OG1-CA 3.34Å; T411-G427 PolarHBondContact OG1-N 3.13Å |
| 412 | L | 91.6 | Very high | 80.1 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.084 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -88.2 | -17.3 | 174.6 | -66 | 165.3 | 0 | 0 | 0 | 112.7 | V409 M410 G427 C431 L448 L462 V465 | V409-L412 WeakPolarHBondContact O-CB 3.32Å; V409-L412 PolarHBondContact O-N 3.43Å; M410-L412 VanDerWaalsContact C-N 3.27Å; L412-G427 VanDerWaalsContact CD2-O 3.29Å; L412-G427 WeakPolarHBondContact CD2-O 3.33Å; L412-C431 WeakPolarHBondContact CD2-SG 3.49Å; L412-L448 HydrophobicContact CD1-CD2 3.99Å; L412-L462 HydrophobicContact CD1-CD1 3.52Å; L412-V465 HydrophobicContact CB-CG1 4.24Å; L412-V465 HydrophobicContact CB-CG2 3.73Å |
| 413 | L | 87.9 | Confident | 79 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -95.1 | 142 | -178.3 | -67.3 | 170.7 | 0 | 0 | 0 | 110.7 | M410 K415 E461 R464 V465 | M410-L413 HydrophobicContact CE-CD1 4.07Å; M410-L413 HydrophobicContact SD-CD1 3.82Å; L413-K415 PolarHBondContact O-N 3.44Å; L413-E461 HydrophobicContact CD1-CB 4.3Å; L413-R464 HydrophobicContact CD2-CB 3.87Å; L413-V465 HydrophobicContact CD2-CG2 3.65Å; L413-V465 HydrophobicContact CG-CG2 4.2Å |
| 414 | P | 72.4 | Confident | 78.5 | Confident | 100 Ų | 100 | 70.4 Ų | 70.4 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 131.2 | 176.9 | 24.7 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 415 | K | 71.7 | Confident | 78.2 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 141.3 | 176.4 | -66.7 | -175.6 | -176.8 | -179.5 | 0 | 109.2 | L413 N417 | L413-K415 PolarHBondContact O-N 3.44Å; K415-N417 PolarHBondContact O-N 3Å; K415-N417 VanDerWaalsContact O-N 3.07Å |
| 416 | P | 63 | Low | 78.1 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 85% | 0.851 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -63.9 | -16.3 | -177.1 | 20.6 | -30.1 | 0 | 0 | 0 | 114.4 | ||
| 417 | N | 59.8 | Low | 77.9 | Confident | 139 Ų | 139 | 67.3 Ų | 67.3 | 74% | 0.743 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -131.4 | 80.1 | -179.5 | -65.5 | -29.6 | 0 | 0 | 0 | 109.6 | K415 V419 | K415-N417 PolarHBondContact O-N 3Å; K415-N417 VanDerWaalsContact O-N 3.07Å; N417-V419 VanDerWaalsContact C-N 3.32Å; N417-V419 PolarHBondContact O-N 3.33Å |
| 418 | D | 54.6 | Low | 77.8 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | trans | -71.3 | 86.5 | 177.4 | -83.3 | -22.6 | 0 | 0 | 0 | 110.8 | ||||
| 419 | V | 52.9 | Low | 77.7 | Confident | 114 Ų | 114 | 69.9 Ų | 69.9 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | trans | -70.3 | 122.7 | 150.7 | -175.8 | 0 | 0 | 0 | 0 | 105.6 | N417 Q421 | N417-V419 VanDerWaalsContact C-N 3.32Å; N417-V419 PolarHBondContact O-N 3.33Å; V419-Q421 PolarHBondContact O-N 3.46Å | ||
| 420 | P | 56.2 | Low | 77.8 | Confident | 110 Ų | 110 | 69.9 Ų | 69.9 | 71% | 0.714 | 40% | 0.398 | S | S | * | . | trans | -55.8 | 109.8 | 176.1 | 20.1 | -29.9 | 0 | 0 | 0 | 108.9 | L422 | P420-L422 PolarHBondContact O-N 3.08Š| ||
| 421 | Q | 59.9 | Low | 77.8 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | trans | -70.2 | 123.1 | 175.4 | -71.9 | 171.2 | 22 | 0 | 0 | 107.3 | V419 G423 | V419-Q421 PolarHBondContact O-N 3.46Å; Q421-G423 PolarHBondContact O-N 3.29Å | ||
| 422 | L | 61.7 | Low | 77.8 | Confident | 154 Ų | 154 | 67.7 Ų | 67.7 | 81% | 0.806 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -71 | 79 | 170 | -100.2 | 83.8 | 0 | 0 | 0 | 108.7 | P420 | P420-L422 PolarHBondContact O-N 3.08Š|
| 423 | G | 72.4 | Confident | 78 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 156.6 | 160.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q421 | Q421-G423 PolarHBondContact O-N 3.29Š|
| 424 | V | 84.1 | Confident | 78.3 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | trans | -80.6 | 129.5 | 174.3 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | N371 Q428 L429 | N371-V424 PolarHBondContact ND2-O 3.25Å; V424-Q428 HydrophobicContact CG1-CB 3.65Å; V424-L429 HydrophobicContact CB-CD2 4.38Å; V424-L429 HydrophobicContact CB-CG 4.43Å; V424-L429 HydrophobicContact CG1-CD2 3.77Å; V424-L429 HydrophobicContact CG1-CG 3.73Å | ||
| 425 | S | 90.4 | Very high | 79.3 | Confident | 15 Ų | 15 | 63 Ų | 63 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | trans | -76.8 | 158.1 | 177 | 81 | 0 | 0 | 0 | 0 | 111.9 | G427 Q428 L429 | S425-G427 PolarHBondContact O-N 3.17Å; S425-Q428 PolarHBondContact O-N 3.02Å; S425-Q428 VanDerWaalsContact O-N 3.13Å; S425-Q428 WeakPolarHBondContact OG-CG 3.49Å; S425-Q428 PolarHBondContact OG-N 2.91Å; S425-Q428 VanDerWaalsContact OG-N 3.12Å; S425-L429 PolarHBondContact O-N 3.3Å | ||
| 426 | A | 93.1 | Very high | 80.3 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -53.3 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | N371 L374 I408 L429 L430 | N371-A426 PolarHBondContact OD1-N 3.07Å; L374-A426 HydrophobicContact CD1-CB 3.57Å; I408-A426 HydrophobicContact CD1-CB 3.83Å; I408-A426 HydrophobicContact CG2-CB 4.29Å; A426-L429 PolarHBondContact O-N 3.24Å; A426-L430 WeakPolarHBondContact O-CG 3.36Å; A426-L430 PolarHBondContact O-N 3.41Å |
| 427 | G | 93.1 | Very high | 81.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | T411 L412 S425 L430 C431 | T411-G427 VanDerWaalsContact OG1-CA 3.3Å; T411-G427 WeakPolarHBondContact OG1-CA 3.34Å; T411-G427 PolarHBondContact OG1-N 3.13Å; L412-G427 VanDerWaalsContact CD2-O 3.29Å; L412-G427 WeakPolarHBondContact CD2-O 3.33Å; S425-G427 PolarHBondContact O-N 3.17Å; G427-L430 PolarHBondContact O-N 2.89Å; G427-C431 WeakPolarHBondContact O-CB 3.47Å; G427-C431 PolarHBondContact O-N 3.4Å |
| 428 | Q | 91.9 | Very high | 83 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.4 | -75.4 | 172.5 | -29.5 | 0 | 0 | 112.1 | V424 S425 G432 F941 | V424-Q428 HydrophobicContact CG1-CB 3.65Å; S425-Q428 PolarHBondContact O-N 3.02Å; S425-Q428 VanDerWaalsContact O-N 3.13Å; S425-Q428 WeakPolarHBondContact OG-CG 3.49Å; S425-Q428 PolarHBondContact OG-N 2.91Å; S425-Q428 VanDerWaalsContact OG-N 3.12Å; Q428-G432 PolarHBondContact O-N 3.12Å; Q428-F941 HydrophobicContact CG-CE1 4.19Å |
| 429 | L | 94.5 | Very high | 84.9 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -50 | 174.6 | -70.2 | 171.2 | 0 | 0 | 0 | 111 | N371 L374 V375 L378 V424 S425 A426 C431 G432 G433 | N371-L429 HydrophobicContact CB-CD1 4.43Å; L374-L429 HydrophobicContact CB-CB 4.45Å; L374-L429 HydrophobicContact CB-CD1 3.8Å; L374-L429 HydrophobicContact CD1-CD1 4.48Å; V375-L429 HydrophobicContact CG2-CD1 3.77Å; V375-L429 HydrophobicContact CG2-CD2 3.93Å; L378-L429 HydrophobicContact CD1-CB 4.01Å; L378-L429 WeakPolarHBondContact CD1-O 3.25Å; V424-L429 HydrophobicContact CB-CD2 4.38Å; V424-L429 HydrophobicContact CB-CG 4.43Å; V424-L429 HydrophobicContact CG1-CD2 3.77Å; V424-L429 HydrophobicContact CG1-CG 3.73Å; S425-L429 PolarHBondContact O-N 3.3Å; A426-L429 PolarHBondContact O-N 3.24Å; L429-C431 PolarHBondContact O-N 3.41Å; L429-G432 PolarHBondContact O-N 3.17Å; L429-G433 PolarHBondContact O-N 2.97Å |
| 430 | L | 96.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 179.9 | -71.3 | 173.2 | 0 | 0 | 0 | 111.8 | L374 M377 I408 A426 G427 G433 L434 S444 A447 L448 | L374-L430 HydrophobicContact CD1-CG 4.45Å; L374-L430 HydrophobicContact CD2-CD2 3.83Å; L374-L430 HydrophobicContact CD2-CG 4.37Å; M377-L430 HydrophobicContact CE-CD2 4.18Å; I408-L430 HydrophobicContact CG2-CD1 3.86Å; A426-L430 WeakPolarHBondContact O-CG 3.36Å; A426-L430 PolarHBondContact O-N 3.41Å; G427-L430 PolarHBondContact O-N 2.89Å; L430-G433 PolarHBondContact O-N 2.94Å; L430-L434 VanDerWaalsContact O-CB 3.3Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 PolarHBondContact O-N 3.17Å; L430-S444 VanDerWaalsContact O-CB 3.27Å; L430-S444 WeakPolarHBondContact O-CB 3.17Å; L430-S444 PolarHBondContact O-OG 3.26Å; L430-A447 HydrophobicContact CD2-CB 3.53Å; L430-L448 HydrophobicContact CB-CD2 4.39Å; L430-L448 HydrophobicContact CB-CG 4.36Å; L430-L448 HydrophobicContact CD1-CD2 3.91Å; L430-L448 HydrophobicContact CD1-CG 4.31Å |
| 431 | C | 94 | Very high | 88.8 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 175.4 | -77.3 | 0 | 0 | 0 | 0 | 112.8 | L412 G427 L429 G433 L434 F435 F941 | L412-C431 WeakPolarHBondContact CD2-SG 3.49Å; G427-C431 WeakPolarHBondContact O-CB 3.47Å; G427-C431 PolarHBondContact O-N 3.4Å; L429-C431 PolarHBondContact O-N 3.41Å; C431-G433 VanDerWaalsContact C-N 3.35Å; C431-L434 PolarHBondContact O-N 2.86Å; C431-F435 VanDerWaalsContact O-CD2 3.31Å; C431-F435 WeakPolarHBondContact O-CD2 3.47Å; C431-F435 PolarHBondContact O-N 3.05Å; C431-F941 HydrophobicContact CB-CD1 4.38Å; C431-F941 HydrophobicContact CB-CE1 3.99Å |
| 432 | G | 92.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q428 L429 S436 | Q428-G432 PolarHBondContact O-N 3.12Å; L429-G432 PolarHBondContact O-N 3.17Å; G432-S436 PolarHBondContact O-N 3.38Å |
| 433 | G | 95 | Very high | 92.3 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L429 L430 C431 F435 S436 S440 A441 S444 | L429-G433 PolarHBondContact O-N 2.97Å; L430-G433 PolarHBondContact O-N 2.94Å; C431-G433 VanDerWaalsContact C-N 3.35Å; G433-F435 PolarHBondContact O-N 3.32Å; G433-S436 WeakPolarHBondContact O-CB 3.43Å; G433-S436 PolarHBondContact O-N 3.11Å; G433-S440 CarbonylContact O-C 3.54Å; G433-A441 WeakPolarHBondContact O-CA 3.47Å; G433-A441 PolarHBondContact O-N 3.48Å; G433-A441 VanDerWaalsContact O-N 3.16Å; G433-S444 VanDerWaalsContact CA-OG 3.28Å; G433-S444 WeakPolarHBondContact CA-OG 3.33Å |
| 434 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -33.7 | -174.6 | -169.2 | 65.1 | 0 | 0 | 0 | 113.2 | L430 C431 S444 S445 L448 L478 L498 L501 | L430-L434 VanDerWaalsContact O-CB 3.3Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 PolarHBondContact O-N 3.17Å; C431-L434 PolarHBondContact O-N 2.86Å; L434-S444 VanDerWaalsContact N-CB 3.3Å; L434-S444 PolarHBondContact N-OG 3.11Å; L434-S445 VanDerWaalsContact CD1-OG 3.24Å; L434-S445 WeakPolarHBondContact CD1-OG 3.49Å; L434-L448 HydrophobicContact CD1-CD1 4.22Å; L434-L448 HydrophobicContact CD2-CD1 3.72Å; L434-L448 HydrophobicContact CG-CD1 4.49Å; L434-L478 HydrophobicContact CD2-CD1 3.89Å; L434-L498 HydrophobicContact CD1-CD2 3.74Å; L434-L498 HydrophobicContact CG-CD2 4.22Å; L434-L501 HydrophobicContact CD1-CD2 4.32Å |
| 435 | F | 92.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 18.6 Ų | 18.6 | 15% | 0.149 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 17.9 | 178.6 | -52.2 | -61 | 0 | 0 | 0 | 112.8 | C431 G433 L467 L478 Q481 W485 | C431-F435 VanDerWaalsContact O-CD2 3.31Å; C431-F435 WeakPolarHBondContact O-CD2 3.47Å; C431-F435 PolarHBondContact O-N 3.05Å; G433-F435 PolarHBondContact O-N 3.32Å; F435-L467 HydrophobicContact CE2-CD1 3.5Å; F435-L467 VanDerWaalsContact CE2-CD1 3.5Å; F435-L467 HydrophobicContact CZ-CD1 3.82Å; F435-L478 HydrophobicContact CE2-CD1 4.1Å; F435-L478 HydrophobicContact CZ-CD1 3.87Å; F435-Q481 HydrophobicContact CD1-CG 4.18Å; F435-Q481 HydrophobicContact CE1-CB 4.24Å; F435-Q481 HydrophobicContact CE1-CG 3.49Å; F435-Q481 VanDerWaalsContact CE1-CG 3.49Å; F435-Q481 HydrophobicContact CE2-CG 4.14Å; F435-Q481 HydrophobicContact CZ-CB 3.95Å; F435-Q481 HydrophobicContact CZ-CG 3.46Å; F435-Q481 VanDerWaalsContact CZ-CG 3.46Å; F435-W485 HydrophobicContact CD1-CB 4.22Å; F435-W485 AromaticContact CD1-CD1 3.8Å; F435-W485 HydrophobicContact CD1-CD2 4.41Å; F435-W485 AromaticContact CD1-CG 3.92Å; F435-W485 HydrophobicContact CD1-CG 3.92Å; F435-W485 HydrophobicContact CE1-CB 4.24Å; F435-W485 HydrophobicContact CE1-CG 4.41Å |
| 436 | S | 92.1 | Very high | 94.5 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | trans | -66.7 | 154.5 | 169.7 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | G432 G433 D438 | G432-S436 PolarHBondContact O-N 3.38Å; G433-S436 WeakPolarHBondContact O-CB 3.43Å; G433-S436 PolarHBondContact O-N 3.11Å; S436-D438 VanDerWaalsContact C-N 3.28Å; S436-D438 WeakPolarHBondContact CB-OD1 3.32Å; S436-D438 PolarHBondContact OG-N 3.18Å; S436-D438 PolarHBondContact OG-OD1 3.45Å | ||
| 437 | S | 89.2 | Confident | 94.7 | Very high | 88 Ų | 88 | 17.8 Ų | 17.8 | 62% | 0.615 | 11% | 0.114 | S | C | * | . | S | Bend | trans | -85.6 | 3 | 174.7 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 438 | D | 91.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 17.8 Ų | 17.8 | 19% | 0.193 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -120.1 | -173.8 | -178.5 | 65.1 | 19.3 | 0 | 0 | 0 | 112.3 | K380 S436 S440 A441 | K380-D438 WeakPolarHBondContact CB-OD2 2.86Å; K380-D438 WeakPolarHBondContact CD-OD2 3.46Å; S436-D438 VanDerWaalsContact C-N 3.28Å; S436-D438 WeakPolarHBondContact CB-OD1 3.32Å; S436-D438 PolarHBondContact OG-N 3.18Å; S436-D438 PolarHBondContact OG-OD1 3.45Å; D438-S440 PolarHBondContact O-N 3.35Å; D438-S440 WeakPolarHBondContact OD1-CB 3.47Å; D438-S440 PolarHBondContact OD1-N 3.4Å; D438-S440 PolarHBondContact OD1-OG 2.92Å; D438-A441 PolarHBondContact O-N 2.97Å; D438-A441 VanDerWaalsContact O-N 3.12Å |
| 439 | S | 93.2 | Very high | 95.2 | Very high | 11 Ų | 11 | 13.9 Ų | 13.9 | 8% | 0.077 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -14.8 | 179.7 | 56 | 0 | 0 | 0 | 0 | 114.5 | R387 A441 W442 F443 Q493 T623 | R387-S439 PolarHBondContact NH1-OG 3.32Å; R387-S439 VanDerWaalsContact NH1-OG 3.11Å; S439-A441 PolarHBondContact O-N 2.91Å; S439-W442 WeakPolarHBondContact O-CB 3.45Å; S439-W442 PolarHBondContact O-N 3.34Å; S439-F443 WeakPolarHBondContact O-CD2 3.35Å; S439-F443 PolarHBondContact O-N 3.24Å; S439-Q493 VanDerWaalsContact CB-OE1 3.23Å; S439-T623 WeakPolarHBondContact OG-CG2 3.44Å |
| 440 | S | 95.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -25.7 | 175 | -46 | 0 | 0 | 0 | 0 | 112.5 | L378 R387 G433 D438 W442 F443 S444 | L378-S440 PolarHBondContact O-OG 3.4Å; R387-S440 PolarHBondContact NH2-OG 2.88Å; G433-S440 CarbonylContact O-C 3.54Å; D438-S440 PolarHBondContact O-N 3.35Å; D438-S440 WeakPolarHBondContact OD1-CB 3.47Å; D438-S440 PolarHBondContact OD1-N 3.4Å; D438-S440 PolarHBondContact OD1-OG 2.92Å; S440-W442 VanDerWaalsContact C-N 3.31Å; S440-W442 PolarHBondContact O-N 2.91Å; S440-F443 PolarHBondContact O-N 3.43Å; S440-S444 WeakPolarHBondContact O-CB 3.24Å; S440-S444 PolarHBondContact O-N 2.84Å |
| 441 | A | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | G433 D438 S439 S445 T494 | G433-A441 WeakPolarHBondContact O-CA 3.47Å; G433-A441 PolarHBondContact O-N 3.48Å; G433-A441 VanDerWaalsContact O-N 3.16Å; D438-A441 PolarHBondContact O-N 2.97Å; D438-A441 VanDerWaalsContact O-N 3.12Å; S439-A441 PolarHBondContact O-N 2.91Å; A441-S445 VanDerWaalsContact O-CB 3.31Å; A441-S445 WeakPolarHBondContact O-CB 3.33Å; A441-S445 PolarHBondContact O-N 3.21Å; A441-S445 PolarHBondContact O-OG 3.38Å; A441-T494 HydrophobicContact CB-CG2 3.62Å |
| 442 | W | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69 | -46.7 | 174.9 | -174.7 | 96.4 | 0 | 0 | 0 | 111.4 | L391 S439 S440 S444 S445 V446 Q493 I618 L626 I627 | L391-W442 HydrophobicContact CD2-CH2 4.22Å; L391-W442 HydrophobicContact CD2-CZ3 3.63Å; S439-W442 WeakPolarHBondContact O-CB 3.45Å; S439-W442 PolarHBondContact O-N 3.34Å; S440-W442 VanDerWaalsContact C-N 3.31Å; S440-W442 PolarHBondContact O-N 2.91Å; W442-S444 PolarHBondContact O-N 2.79Å; W442-S445 PolarHBondContact O-N 2.97Å; W442-S445 VanDerWaalsContact O-N 3.16Å; W442-V446 HydrophobicContact CD2-CG2 3.94Å; W442-V446 HydrophobicContact CE3-CG2 4.11Å; W442-V446 HydrophobicContact CH2-CG2 3.88Å; W442-V446 HydrophobicContact CZ2-CG2 3.73Å; W442-V446 HydrophobicContact CZ3-CG2 4.08Å; W442-V446 WeakPolarHBondContact O-CG2 3.35Å; W442-V446 PolarHBondContact O-N 3.42Å; W442-Q493 HydrophobicContact CB-CG 3.74Å; W442-Q493 HydrophobicContact CG-CG 3.88Å; W442-I618 HydrophobicContact CH2-CD1 3.8Å; W442-I618 HydrophobicContact CZ3-CD1 4.49Å; W442-L626 HydrophobicContact CD2-CB 4.15Å; W442-L626 HydrophobicContact CE3-CB 4.12Å; W442-L626 HydrophobicContact CE3-CD1 4.22Å; W442-L626 HydrophobicContact CH2-CB 4.25Å; W442-L626 HydrophobicContact CH2-CD2 4.12Å; W442-L626 HydrophobicContact CZ2-CB 4.23Å; W442-L626 HydrophobicContact CZ3-CB 4.18Å; W442-L626 HydrophobicContact CZ3-CD1 4.24Å; W442-L626 HydrophobicContact CZ3-CD2 4.09Å; W442-L626 HydrophobicContact CZ3-CG 4.42Å; W442-L626 PolarHBondContact NE1-O 2.83Å; W442-I627 PolarHBondContact NE1-O 3.15Å |
| 443 | F | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.8 | -49.2 | 176 | -79 | -77.8 | 0 | 0 | 0 | 112.2 | M377 L378 R387 V388 L391 S439 S440 S445 V446 A447 L626 | M377-F443 HydrophobicContact CE-CB 4.23Å; M377-F443 HydrophobicContact CG-CB 4.01Å; M377-F443 HydrophobicContact CG-CD1 3.6Å; M377-F443 HydrophobicContact CG-CE1 4.36Å; M377-F443 HydrophobicContact CG-CG 4.02Å; M377-F443 HydrophobicContact SD-CB 4.21Å; M377-F443 HydrophobicContact SD-CD1 4.18Å; L378-F443 HydrophobicContact CD2-CB 4.14Å; R387-F443 HydrophobicContact CB-CE1 4.09Å; R387-F443 HydrophobicContact CB-CE2 4.29Å; R387-F443 HydrophobicContact CB-CZ 3.74Å; V388-F443 HydrophobicContact CG2-CE1 4.17Å; V388-F443 HydrophobicContact CG2-CZ 3.97Å; L391-F443 HydrophobicContact CB-CD1 3.93Å; L391-F443 HydrophobicContact CB-CE1 4.08Å; L391-F443 HydrophobicContact CD2-CD1 3.76Å; L391-F443 HydrophobicContact CD2-CE1 4.02Å; L391-F443 HydrophobicContact CG-CD1 4.31Å; S439-F443 WeakPolarHBondContact O-CD2 3.35Å; S439-F443 PolarHBondContact O-N 3.24Å; S440-F443 PolarHBondContact O-N 3.43Å; F443-S445 PolarHBondContact O-N 3.46Å; F443-V446 PolarHBondContact O-N 3.5Å; F443-A447 VanDerWaalsContact O-CB 3.28Å; F443-A447 WeakPolarHBondContact O-CB 3.47Å; F443-A447 PolarHBondContact O-N 3.36Å; F443-L626 HydrophobicContact CE1-CD1 4.39Å; F443-L626 HydrophobicContact CE2-CD1 3.74Å; F443-L626 HydrophobicContact CZ-CD1 3.54Å |
| 444 | S | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.9 | -83 | 0 | 0 | 0 | 0 | 112.9 | L378 L430 G433 L434 S440 W442 A447 L448 | L378-S444 WeakPolarHBondContact CD2-OG 3.22Å; L430-S444 VanDerWaalsContact O-CB 3.27Å; L430-S444 WeakPolarHBondContact O-CB 3.17Å; L430-S444 PolarHBondContact O-OG 3.26Å; G433-S444 VanDerWaalsContact CA-OG 3.28Å; G433-S444 WeakPolarHBondContact CA-OG 3.33Å; L434-S444 VanDerWaalsContact N-CB 3.3Å; L434-S444 PolarHBondContact N-OG 3.11Å; S440-S444 WeakPolarHBondContact O-CB 3.24Å; S440-S444 PolarHBondContact O-N 2.84Å; W442-S444 PolarHBondContact O-N 2.79Å; S444-A447 PolarHBondContact O-N 2.9Å; S444-L448 WeakPolarHBondContact O-CB 3.33Å; S444-L448 WeakPolarHBondContact O-CG 3.29Å; S444-L448 PolarHBondContact O-N 3.07Å |
| 445 | S | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | L434 A441 W442 F443 L449 G497 | L434-S445 VanDerWaalsContact CD1-OG 3.24Å; L434-S445 WeakPolarHBondContact CD1-OG 3.49Å; A441-S445 VanDerWaalsContact O-CB 3.31Å; A441-S445 WeakPolarHBondContact O-CB 3.33Å; A441-S445 PolarHBondContact O-N 3.21Å; A441-S445 PolarHBondContact O-OG 3.38Å; W442-S445 PolarHBondContact O-N 2.97Å; W442-S445 VanDerWaalsContact O-N 3.16Å; F443-S445 PolarHBondContact O-N 3.46Å; S445-L449 WeakPolarHBondContact O-CB 3.41Å; S445-L449 PolarHBondContact O-N 3.06Å; S445-G497 VanDerWaalsContact CB-O 3.28Å; S445-G497 WeakPolarHBondContact CB-O 3.25Å |
| 446 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 177 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L391 W442 F443 L448 L449 H450 D629 | L391-V446 HydrophobicContact CD1-CG1 4.21Å; L391-V446 HydrophobicContact CD2-CB 4.49Å; L391-V446 HydrophobicContact CD2-CG1 4.13Å; W442-V446 HydrophobicContact CD2-CG2 3.94Å; W442-V446 HydrophobicContact CE3-CG2 4.11Å; W442-V446 HydrophobicContact CH2-CG2 3.88Å; W442-V446 HydrophobicContact CZ2-CG2 3.73Å; W442-V446 HydrophobicContact CZ3-CG2 4.08Å; W442-V446 WeakPolarHBondContact O-CG2 3.35Å; W442-V446 PolarHBondContact O-N 3.42Å; F443-V446 PolarHBondContact O-N 3.5Å; V446-L448 PolarHBondContact O-N 3.29Å; V446-L449 VanDerWaalsContact O-CB 3.3Å; V446-L449 WeakPolarHBondContact O-CB 3.32Å; V446-L449 PolarHBondContact O-N 3.04Å; V446-H450 PolarHBondContact O-CD2 2.93Å; V446-H450 VanDerWaalsContact O-CD2 3.24Å; V446-H450 PolarHBondContact O-N 3.29Å; V446-D629 HydrophobicContact CG1-CB 3.89Å; V446-D629 WeakPolarHBondContact CG1-OD1 3.31Å; V446-D629 HydrophobicContact CG2-CB 4.13Å |
| 447 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M377 L391 F394 L430 F443 S444 L449 H450 C451 | M377-A447 HydrophobicContact CE-CB 3.97Å; M377-A447 HydrophobicContact SD-CB 4.41Å; L391-A447 HydrophobicContact CD1-CB 4.27Å; F394-A447 HydrophobicContact CD1-CB 3.89Å; F394-A447 HydrophobicContact CE1-CB 3.73Å; L430-A447 HydrophobicContact CD2-CB 3.53Å; F443-A447 VanDerWaalsContact O-CB 3.28Å; F443-A447 WeakPolarHBondContact O-CB 3.47Å; F443-A447 PolarHBondContact O-N 3.36Å; S444-A447 PolarHBondContact O-N 2.9Å; A447-L449 VanDerWaalsContact C-N 3.32Å; A447-L449 PolarHBondContact O-N 2.71Å; A447-H450 PolarHBondContact O-N 3.46Å; A447-C451 PolarHBondContact O-N 3.05Å; A447-C451 VanDerWaalsContact O-N 3.08Å; A447-C451 PolarHBondContact O-SG 2.9Å |
| 448 | L | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.7 | -35.5 | 174.7 | -77.3 | 172.2 | 0 | 0 | 0 | 112.6 | L412 L430 L434 S444 V446 H450 C451 I452 L501 | L412-L448 HydrophobicContact CD1-CD2 3.99Å; L430-L448 HydrophobicContact CB-CD2 4.39Å; L430-L448 HydrophobicContact CB-CG 4.36Å; L430-L448 HydrophobicContact CD1-CD2 3.91Å; L430-L448 HydrophobicContact CD1-CG 4.31Å; L434-L448 HydrophobicContact CD1-CD1 4.22Å; L434-L448 HydrophobicContact CD2-CD1 3.72Å; L434-L448 HydrophobicContact CG-CD1 4.49Å; S444-L448 WeakPolarHBondContact O-CB 3.33Å; S444-L448 WeakPolarHBondContact O-CG 3.29Å; S444-L448 PolarHBondContact O-N 3.07Å; V446-L448 PolarHBondContact O-N 3.29Å; L448-H450 VanDerWaalsContact C-N 3.31Å; L448-H450 PolarHBondContact O-N 2.91Å; L448-C451 WeakPolarHBondContact O-CB 3.44Å; L448-C451 PolarHBondContact O-N 3.26Å; L448-C451 VanDerWaalsContact O-N 3.12Å; L448-I452 PolarHBondContact O-N 3.36Å; L448-L501 HydrophobicContact CB-CD1 3.9Å; L448-L501 HydrophobicContact CB-CD2 4.21Å; L448-L501 HydrophobicContact CD1-CD2 4.35Å |
| 449 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56 | -48.6 | 173.8 | -179 | 163.2 | 0 | 0 | 0 | 109.9 | S445 V446 A447 C451 I452 H453 Q500 L501 T504 F632 | S445-L449 WeakPolarHBondContact O-CB 3.41Å; S445-L449 PolarHBondContact O-N 3.06Å; V446-L449 VanDerWaalsContact O-CB 3.3Å; V446-L449 WeakPolarHBondContact O-CB 3.32Å; V446-L449 PolarHBondContact O-N 3.04Å; A447-L449 VanDerWaalsContact C-N 3.32Å; A447-L449 PolarHBondContact O-N 2.71Å; L449-C451 VanDerWaalsContact C-N 3.31Å; L449-C451 PolarHBondContact O-N 3.12Å; L449-I452 PolarHBondContact O-N 3Å; L449-H453 HydrophobicContact CD2-CB 4.5Å; L449-H453 WeakPolarHBondContact O-CB 3.32Å; L449-H453 PolarHBondContact O-N 2.92Å; L449-Q500 HydrophobicContact CD1-CB 3.89Å; L449-L501 HydrophobicContact CB-CD1 4.23Å; L449-T504 WeakPolarHBondContact CD1-OG1 3.46Å; L449-T504 HydrophobicContact CD2-CG2 4.2Å; L449-T504 HydrophobicContact CG-CG2 3.93Å; L449-T504 WeakPolarHBondContact CG-OG1 3.37Å; L449-F632 HydrophobicContact CD1-CB 4.12Å; L449-F632 HydrophobicContact CD1-CD2 4.16Å |
| 450 | H | 97.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 8% | 0.079 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.8 | -25.5 | 177.8 | -77.7 | -108.6 | 0 | 0 | 0 | 113.3 | Q395 L398 Q405 V446 A447 L448 I452 D629 T631 | Q395-H450 PolarHBondContact NE2-NE2 3.4Å; Q395-H450 VanDerWaalsContact NE2-NE2 3.18Å; L398-H450 HydrophobicContact CD1-CB 4.06Å; Q405-H450 PolarHBondContact NE2-O 3.33Å; V446-H450 PolarHBondContact O-CD2 2.93Å; V446-H450 VanDerWaalsContact O-CD2 3.24Å; V446-H450 PolarHBondContact O-N 3.29Å; A447-H450 PolarHBondContact O-N 3.46Å; L448-H450 VanDerWaalsContact C-N 3.31Å; L448-H450 PolarHBondContact O-N 2.91Å; H450-I452 VanDerWaalsContact C-N 3.33Å; H450-D629 IonicContact CD2-OD1 2.62Å; H450-D629 IonicContact CE1-OD1 2.93Å; H450-D629 IonicContact NE2-OD1 3.66Å; H450-D629 PolarHBondContact NE2-OD1 2.93Å; H450-D629 IonicContact NE2-OD2 3.74Å; H450-D629 PolarHBondContact NE2-OD2 3.05Å; H450-D629 VanDerWaalsContact NE2-OD2 3.17Å; H450-T631 PolarHBondContact CE1-OG1 2.93Å |
| 451 | C | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.1 | -32.3 | 172.2 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | L398 Q405 V409 A447 L448 L449 | L398-C451 HydrophobicContact CD1-CB 4.46Å; Q405-C451 WeakPolarHBondContact CB-O 3.49Å; Q405-C451 WeakPolarHBondContact CG-O 3.44Å; V409-C451 HydrophobicContact CG2-CB 3.95Å; A447-C451 PolarHBondContact O-N 3.05Å; A447-C451 VanDerWaalsContact O-N 3.08Å; A447-C451 PolarHBondContact O-SG 2.9Å; L448-C451 WeakPolarHBondContact O-CB 3.44Å; L448-C451 PolarHBondContact O-N 3.26Å; L448-C451 VanDerWaalsContact O-N 3.12Å; L449-C451 VanDerWaalsContact C-N 3.31Å; L449-C451 PolarHBondContact O-N 3.12Å |
| 452 | I | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -110.7 | -5.5 | -176.4 | 67.7 | 179.8 | 0 | 0 | 0 | 113.9 | V409 L448 L449 H450 D454 N455 L458 K459 L462 L501 W505 | V409-I452 HydrophobicContact CG2-CG2 4.44Å; L448-I452 PolarHBondContact O-N 3.36Å; L449-I452 PolarHBondContact O-N 3Å; H450-I452 VanDerWaalsContact C-N 3.33Å; I452-D454 PolarHBondContact O-N 3.42Å; I452-N455 PolarHBondContact O-N 2.97Å; I452-L458 HydrophobicContact CG2-CB 4.43Å; I452-K459 HydrophobicContact CB-CG 3.9Å; I452-K459 HydrophobicContact CD1-CG 4.38Å; I452-K459 HydrophobicContact CG1-CG 4.38Å; I452-K459 WeakPolarHBondContact O-CE 3.47Å; I452-L462 HydrophobicContact CD1-CD2 4.16Å; I452-L462 HydrophobicContact CG2-CD2 3.77Å; I452-L501 HydrophobicContact CD1-CD1 3.84Å; I452-W505 HydrophobicContact CD1-CB 3.75Å; I452-W505 HydrophobicContact CD1-CD2 4.02Å; I452-W505 HydrophobicContact CD1-CE3 4.46Å; I452-W505 HydrophobicContact CD1-CG 3.69Å |
| 453 | H | 95.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 18% | 0.176 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 131.7 | 179.3 | -174.6 | 73.9 | 0 | 0 | 0 | 110.8 | Q405 L449 N455 T631 | Q405-H453 PolarHBondContact NE2-O 3.38Å; Q405-H453 VanDerWaalsContact NE2-O 3.11Å; L449-H453 HydrophobicContact CD2-CB 4.5Å; L449-H453 WeakPolarHBondContact O-CB 3.32Å; L449-H453 PolarHBondContact O-N 2.92Å; H453-N455 PolarHBondContact O-N 2.89Å; H453-T631 WeakPolarHBondContact CE1-CG2 3.44Å; H453-T631 WeakPolarHBondContact NE2-CG2 3.41Å |
| 454 | D | 93.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 32.2 Ų | 32.2 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 23.1 | -176.1 | -70.7 | -16.4 | 0 | 0 | 0 | 116 | I452 | I452-D454 PolarHBondContact O-N 3.42Š|
| 455 | N | 95.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | trans | -127.9 | 87.3 | 179.5 | -164.5 | -31.2 | 0 | 0 | 0 | 112 | Q405 I452 H453 Q457 L458 K459 | Q405-N455 PolarHBondContact OE1-ND2 3.15Å; Q405-N455 VanDerWaalsContact OE1-ND2 3.08Å; I452-N455 PolarHBondContact O-N 2.97Å; H453-N455 PolarHBondContact O-N 2.89Å; N455-Q457 VanDerWaalsContact C-N 3.3Å; N455-Q457 PolarHBondContact O-N 2.76Å; N455-L458 HydrophobicContact CB-CB 4.26Å; N455-L458 HydrophobicContact CB-CD1 4.31Å; N455-L458 HydrophobicContact CB-CG 4.4Å; N455-L458 WeakPolarHBondContact ND2-CD1 3.4Å; N455-L458 PolarHBondContact O-N 3.37Å; N455-L458 PolarHBondContact OD1-N 3.04Å; N455-K459 WeakPolarHBondContact O-CG 3.41Å; N455-K459 PolarHBondContact O-N 3.27Å; N455-K459 VanDerWaalsContact O-N 3.09Å | ||
| 456 | V | 96 | Very high | 95.5 | Very high | 58 Ų | 58 | 37 Ų | 37 | 35% | 0.352 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.7 | -37.6 | -176.5 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | L458 K459 E460 N508 | V456-L458 VanDerWaalsContact C-N 3.35Å; V456-L458 PolarHBondContact O-N 2.99Å; V456-K459 WeakPolarHBondContact O-CB 3.4Å; V456-K459 PolarHBondContact O-N 3.31Å; V456-E460 PolarHBondContact O-N 2.96Å; V456-E460 VanDerWaalsContact O-N 3.08Å; V456-N508 HydrophobicContact CG2-CB 4.27Å |
| 457 | Q | 96 | Very high | 95 | Very high | 150 Ų | 150 | 37.4 Ų | 37.4 | 70% | 0.701 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -60.1 | -45.5 | 177.7 | -66.7 | 177.2 | -15.9 | 0 | 0 | 111.3 | N455 K459 E460 E461 | N455-Q457 VanDerWaalsContact C-N 3.3Å; N455-Q457 PolarHBondContact O-N 2.76Å; Q457-K459 VanDerWaalsContact C-N 3.35Å; Q457-E460 PolarHBondContact O-N 3.01Å; Q457-E461 WeakPolarHBondContact O-CG 3.46Å; Q457-E461 PolarHBondContact O-N 3.45Å |
| 458 | L | 96.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -30 | 178.4 | -66 | -177.1 | 0 | 0 | 0 | 113.2 | Q405 N406 V409 M410 I452 N455 V456 E460 E461 L462 | Q405-L458 HydrophobicContact CB-CD1 3.52Å; N406-L458 HydrophobicContact CB-CD1 4.3Å; N406-L458 HydrophobicContact CB-CD2 4.13Å; V409-L458 HydrophobicContact CB-CD2 4.1Å; V409-L458 HydrophobicContact CG1-CD2 4.12Å; V409-L458 HydrophobicContact CG2-CB 4.4Å; V409-L458 HydrophobicContact CG2-CD1 4.11Å; V409-L458 HydrophobicContact CG2-CD2 4.48Å; M410-L458 HydrophobicContact CE-CD2 4.17Å; I452-L458 HydrophobicContact CG2-CB 4.43Å; N455-L458 HydrophobicContact CB-CB 4.26Å; N455-L458 HydrophobicContact CB-CD1 4.31Å; N455-L458 HydrophobicContact CB-CG 4.4Å; N455-L458 WeakPolarHBondContact ND2-CD1 3.4Å; N455-L458 PolarHBondContact O-N 3.37Å; N455-L458 PolarHBondContact OD1-N 3.04Å; V456-L458 VanDerWaalsContact C-N 3.35Å; V456-L458 PolarHBondContact O-N 2.99Å; L458-E460 VanDerWaalsContact C-N 3.3Å; L458-E460 PolarHBondContact O-N 3.29Å; L458-E461 PolarHBondContact O-N 3.18Å; L458-L462 VanDerWaalsContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CB 2.96Å; L458-L462 PolarHBondContact O-N 3.49Å |
| 459 | K | 96.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 170.6 | -67.9 | 174.7 | -170.9 | -161.4 | 0 | 111.1 | I452 N455 V456 Q457 L463 T504 W505 T507 C509 | I452-K459 HydrophobicContact CB-CG 3.9Å; I452-K459 HydrophobicContact CD1-CG 4.38Å; I452-K459 HydrophobicContact CG1-CG 4.38Å; I452-K459 WeakPolarHBondContact O-CE 3.47Å; N455-K459 WeakPolarHBondContact O-CG 3.41Å; N455-K459 PolarHBondContact O-N 3.27Å; N455-K459 VanDerWaalsContact O-N 3.09Å; V456-K459 WeakPolarHBondContact O-CB 3.4Å; V456-K459 PolarHBondContact O-N 3.31Å; Q457-K459 VanDerWaalsContact C-N 3.35Å; K459-L463 WeakPolarHBondContact O-CG 3.32Å; K459-T504 WeakPolarHBondContact CE-O 3.47Å; K459-T504 PolarHBondContact NZ-O 3.18Å; K459-W505 WeakPolarHBondContact CD-O 3.36Å; K459-W505 PolarHBondContact O-NE1 3.01Å; K459-T507 PolarHBondContact NZ-O 3.42Å; K459-C509 HydrophobicContact CB-CB 4.15Å; K459-C509 HydrophobicContact CD-CB 3.95Å |
| 460 | E | 95.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.8 | -43.8 | 176.4 | -68.8 | 177.8 | -170.6 | 0 | 0 | 112 | V456 Q457 L458 L462 L463 E511 | V456-E460 PolarHBondContact O-N 2.96Å; V456-E460 VanDerWaalsContact O-N 3.08Å; Q457-E460 PolarHBondContact O-N 3.01Å; L458-E460 VanDerWaalsContact C-N 3.3Å; L458-E460 PolarHBondContact O-N 3.29Å; E460-L462 VanDerWaalsContact C-N 3.32Å; E460-L462 PolarHBondContact O-N 3.1Å; E460-L463 WeakPolarHBondContact O-CB 3.42Å; E460-L463 PolarHBondContact O-N 3.31Å; E460-L463 VanDerWaalsContact O-N 3.17Å; E460-E511 HydrophobicContact CG-CB 4.12Å; E460-E511 HydrophobicContact CG-CG 4.3Å |
| 461 | E | 94.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 177.1 | -73.6 | -61.9 | 153.7 | 0 | 0 | 112.4 | M410 L413 Q457 L458 L463 R464 | M410-E461 HydrophobicContact CE-CB 4.3Å; M410-E461 HydrophobicContact CE-CG 4Å; L413-E461 HydrophobicContact CD1-CB 4.3Å; Q457-E461 WeakPolarHBondContact O-CG 3.46Å; Q457-E461 PolarHBondContact O-N 3.45Å; L458-E461 PolarHBondContact O-N 3.18Å; E461-L463 PolarHBondContact O-N 2.85Å; E461-R464 VanDerWaalsContact CD-NH1 3.3Å; E461-R464 VanDerWaalsContact O-CB 3.3Å; E461-R464 WeakPolarHBondContact O-CB 3.47Å; E461-R464 PolarHBondContact O-N 3.18Å; E461-R464 IonicContact OE1-NH1 2.69Å; E461-R464 PolarHBondContact OE1-NH1 2.91Å; E461-R464 VanDerWaalsContact OE1-NH1 3.09Å; E461-R464 VanDerWaalsContact OE2-CD 3.31Å; E461-R464 WeakPolarHBondContact OE2-CD 3.45Å; E461-R464 IonicContact OE2-CZ 3.48Å; E461-R464 IonicContact OE2-NE 3.72Å; E461-R464 IonicContact OE2-NH1 3.34Å; E461-R464 PolarHBondContact OE2-NH1 3.21Å |
| 462 | L | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -24.8 | 179.3 | -165.8 | 68.5 | 0 | 0 | 0 | 112.4 | V409 L412 I452 L458 E460 R464 V465 L478 W505 | V409-L462 HydrophobicContact CG1-CD1 4.35Å; L412-L462 HydrophobicContact CD1-CD1 3.52Å; I452-L462 HydrophobicContact CD1-CD2 4.16Å; I452-L462 HydrophobicContact CG2-CD2 3.77Å; L458-L462 VanDerWaalsContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CB 2.96Å; L458-L462 PolarHBondContact O-N 3.49Å; E460-L462 VanDerWaalsContact C-N 3.32Å; E460-L462 PolarHBondContact O-N 3.1Å; L462-R464 PolarHBondContact O-N 3.35Å; L462-V465 HydrophobicContact CD1-CG2 4.04Å; L462-V465 PolarHBondContact O-N 2.95Å; L462-L478 HydrophobicContact CD1-CD2 3.74Å; L462-L478 HydrophobicContact CG-CD2 4.05Å; L462-W505 HydrophobicContact CB-CH2 4.16Å; L462-W505 HydrophobicContact CB-CZ2 3.5Å; L462-W505 HydrophobicContact CD2-CD2 4.03Å; L462-W505 HydrophobicContact CD2-CE3 4Å; L462-W505 HydrophobicContact CD2-CH2 3.41Å; L462-W505 VanDerWaalsContact CD2-CH2 3.41Å; L462-W505 HydrophobicContact CD2-CZ2 3.42Å; L462-W505 VanDerWaalsContact CD2-CZ2 3.42Å; L462-W505 HydrophobicContact CD2-CZ3 3.7Å; L462-W505 HydrophobicContact CG-CH2 3.45Å; L462-W505 VanDerWaalsContact CG-CH2 3.45Å; L462-W505 HydrophobicContact CG-CZ2 3.33Å; L462-W505 HydrophobicContact CG-CZ3 4.24Å |
| 463 | L | 92.9 | Very high | 89.9 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.8 | 175.1 | -61.6 | 170.8 | 0 | 0 | 0 | 112.5 | K459 E460 E461 V465 F479 W505 E511 A512 | K459-L463 WeakPolarHBondContact O-CG 3.32Å; E460-L463 WeakPolarHBondContact O-CB 3.42Å; E460-L463 PolarHBondContact O-N 3.31Å; E460-L463 VanDerWaalsContact O-N 3.17Å; E461-L463 PolarHBondContact O-N 2.85Å; L463-V465 VanDerWaalsContact C-N 3.35Å; L463-F479 HydrophobicContact CD2-CB 4.2Å; L463-F479 HydrophobicContact CD2-CD2 4.34Å; L463-F479 HydrophobicContact CD2-CG 4.13Å; L463-W505 HydrophobicContact CD2-CZ2 3.86Å; L463-W505 HydrophobicContact CG-CZ2 4.37Å; L463-E511 HydrophobicContact CD1-CG 4.03Å; L463-A512 HydrophobicContact CD1-CB 4.13Å; L463-A512 HydrophobicContact CD2-CB 4.11Å |
| 464 | R | 92.1 | Very high | 89.4 | Confident | 147 Ų | 147 | 60.1 Ų | 60.1 | 56% | 0.555 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.4 | -178.7 | -56.9 | 167 | 60.7 | -176.4 | 0 | 113 | L413 E461 L462 H466 | L413-R464 HydrophobicContact CD2-CB 3.87Å; E461-R464 VanDerWaalsContact CD-NH1 3.3Å; E461-R464 VanDerWaalsContact O-CB 3.3Å; E461-R464 WeakPolarHBondContact O-CB 3.47Å; E461-R464 PolarHBondContact O-N 3.18Å; E461-R464 IonicContact OE1-NH1 2.69Å; E461-R464 PolarHBondContact OE1-NH1 2.91Å; E461-R464 VanDerWaalsContact OE1-NH1 3.09Å; E461-R464 VanDerWaalsContact OE2-CD 3.31Å; E461-R464 WeakPolarHBondContact OE2-CD 3.45Å; E461-R464 IonicContact OE2-CZ 3.48Å; E461-R464 IonicContact OE2-NE 3.72Å; E461-R464 IonicContact OE2-NH1 3.34Å; E461-R464 PolarHBondContact OE2-NH1 3.21Å; L462-R464 PolarHBondContact O-N 3.35Å; R464-H466 PolarHBondContact O-CE1 3Å; R464-H466 PolarHBondContact O-N 2.88Å; R464-H466 PolarHBondContact O-ND1 3.36Å |
| 465 | V | 92.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | trans | -70.8 | 124.6 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | L412 L413 L462 L463 L467 T477 L478 | L412-V465 HydrophobicContact CB-CG1 4.24Å; L412-V465 HydrophobicContact CB-CG2 3.73Å; L413-V465 HydrophobicContact CD2-CG2 3.65Å; L413-V465 HydrophobicContact CG-CG2 4.2Å; L462-V465 HydrophobicContact CD1-CG2 4.04Å; L462-V465 PolarHBondContact O-N 2.95Å; L463-V465 VanDerWaalsContact C-N 3.35Å; V465-L467 HydrophobicContact CG1-CD2 4.4Å; V465-T477 CarbonylContact O-C 3.44Å; V465-T477 WeakPolarHBondContact O-CA 3.27Å; V465-L478 HydrophobicContact CB-CB 3.89Å; V465-L478 HydrophobicContact CB-CD2 4.21Å; V465-L478 HydrophobicContact CG1-CB 3.86Å; V465-L478 HydrophobicContact CG1-CD2 4.12Å; V465-L478 PolarHBondContact O-N 3.39Å | ||
| 466 | H | 89.9 | Confident | 88.7 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.3 | 175.3 | -66.7 | 74.8 | 0 | 0 | 0 | 109.8 | R464 P475 V476 | R464-H466 PolarHBondContact O-CE1 3Å; R464-H466 PolarHBondContact O-N 2.88Å; R464-H466 PolarHBondContact O-ND1 3.36Å; H466-P475 HydrophobicContact CB-CB 4.07Å; H466-V476 CarbonylContact C-O 2.93Å; H466-V476 WeakPolarHBondContact CA-O 3.29Å |
| 467 | L | 88.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.3 | 175.3 | -52.8 | 175.8 | 0 | 0 | 0 | 108.6 | F435 V465 P469 P475 V476 L478 Q481 F941 | F435-L467 HydrophobicContact CE2-CD1 3.5Å; F435-L467 VanDerWaalsContact CE2-CD1 3.5Å; F435-L467 HydrophobicContact CZ-CD1 3.82Å; V465-L467 HydrophobicContact CG1-CD2 4.4Å; L467-P469 WeakPolarHBondContact O-CD 3.42Å; L467-P475 WeakPolarHBondContact O-CA 3.44Å; L467-V476 HydrophobicContact CB-CG2 4.2Å; L467-V476 PolarHBondContact N-O 2.86Å; L467-V476 PolarHBondContact O-N 3.18Å; L467-L478 HydrophobicContact CD1-CB 4.43Å; L467-L478 HydrophobicContact CD1-CD1 3.86Å; L467-L478 HydrophobicContact CD2-CD1 4.49Å; L467-L478 HydrophobicContact CG-CB 4.41Å; L467-L478 HydrophobicContact CG-CD1 4.48Å; L467-Q481 HydrophobicContact CD1-CB 3.86Å; L467-Q481 HydrophobicContact CD1-CG 3.97Å; L467-F941 HydrophobicContact CB-CD2 4.2Å; L467-F941 HydrophobicContact CD2-CD2 3.58Å; L467-F941 HydrophobicContact CD2-CE2 3.42Å; L467-F941 VanDerWaalsContact CD2-CE2 3.42Å; L467-F941 HydrophobicContact CD2-CG 4.29Å; L467-F941 HydrophobicContact CD2-CZ 4.03Å |
| 468 | S | 85.4 | Confident | 88.4 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -103.8 | 99.7 | 170.7 | -45.4 | 0 | 0 | 0 | 0 | 107.7 | K470 V939 | S468-K470 PolarHBondContact O-N 2.89Å; S468-V939 WeakPolarHBondContact CB-O 3.36Å; S468-V939 PolarHBondContact OG-O 3.39Å |
| 469 | P | 75.1 | Confident | 88.2 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | trans | -72.6 | -30.2 | -166.7 | 25.6 | -31.3 | 0 | 0 | 0 | 113.1 | L467 A473 V476 | L467-P469 WeakPolarHBondContact O-CD 3.42Å; P469-A473 HydrophobicContact CG-CB 3.96Å; P469-V476 HydrophobicContact CB-CG2 4.5Å; P469-V476 HydrophobicContact CG-CG1 4.38Å; P469-V476 HydrophobicContact CG-CG2 4.09Å | ||
| 470 | K | 78.5 | Confident | 87.8 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -143.7 | 154.9 | 172.6 | -61.5 | -171 | -175.6 | -170.5 | 0 | 108.7 | S468 G472 A473 N946 | S468-K470 PolarHBondContact O-N 2.89Å; K470-G472 PolarHBondContact O-N 2.91Å; K470-A473 HydrophobicContact CB-CB 4.1Å; K470-A473 WeakPolarHBondContact O-CB 3.34Å; K470-A473 PolarHBondContact O-N 3.39Å; K470-N946 PolarHBondContact NZ-OD1 3.34Å |
| 471 | E | 77.3 | Confident | 87.6 | Confident | 149 Ų | 149 | 50.7 Ų | 50.7 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 122.1 | 172.4 | -164.7 | 176 | -175.7 | 0 | 0 | 109.7 | A473 | E471-A473 PolarHBondContact O-N 2.92Š|
| 472 | G | 80.6 | Confident | 87.6 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 87% | 0.866 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -6.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.6 | K470 | K470-G472 PolarHBondContact O-N 2.91Š|
| 473 | A | 82.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -75.3 | 147.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P469 K470 E471 | P469-A473 HydrophobicContact CG-CB 3.96Å; K470-A473 HydrophobicContact CB-CB 4.1Å; K470-A473 WeakPolarHBondContact O-CB 3.34Å; K470-A473 PolarHBondContact O-N 3.39Å; E471-A473 PolarHBondContact O-N 2.92Å |
| 474 | P | 84.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 143.6 | 176 | 25.8 | -33.8 | 0 | 0 | 0 | 110.7 | V476 | P474-V476 PolarHBondContact O-N 3.02Š|
| 475 | P | 86 | Confident | 87.2 | Confident | 85 Ų | 85 | 45 Ų | 45 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 132.2 | 176.4 | -22.3 | 32.2 | 0 | 0 | 0 | 111.3 | H466 L467 | H466-P475 HydrophobicContact CB-CB 4.07Å; L467-P475 WeakPolarHBondContact O-CA 3.44Å |
| 476 | V | 89.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.7 | 174.3 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | H466 L467 P469 P474 Q481 | H466-V476 CarbonylContact C-O 2.93Å; H466-V476 WeakPolarHBondContact CA-O 3.29Å; L467-V476 HydrophobicContact CB-CG2 4.2Å; L467-V476 PolarHBondContact N-O 2.86Å; L467-V476 PolarHBondContact O-N 3.18Å; P469-V476 HydrophobicContact CB-CG2 4.5Å; P469-V476 HydrophobicContact CG-CG1 4.38Å; P469-V476 HydrophobicContact CG-CG2 4.09Å; P474-V476 PolarHBondContact O-N 3.02Å; V476-Q481 HydrophobicContact CG2-CB 4.32Å |
| 477 | T | 91.4 | Very high | 87.2 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 145.1 | 175.6 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | V465 F479 H480 Q481 | V465-T477 CarbonylContact O-C 3.44Å; V465-T477 WeakPolarHBondContact O-CA 3.27Å; T477-F479 PolarHBondContact O-N 2.98Å; T477-H480 PolarHBondContact O-N 3.29Å; T477-H480 VanDerWaalsContact OG1-CB 3.25Å; T477-H480 WeakPolarHBondContact OG1-CB 3.24Å; T477-H480 PolarHBondContact OG1-N 3.18Å; T477-H480 VanDerWaalsContact OG1-N 3.15Å; T477-Q481 PolarHBondContact O-N 3.32Å |
| 478 | L | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -51.6 | -44.1 | 173.4 | 172.5 | 62.8 | 0 | 0 | 0 | 110.4 | L434 F435 L462 V465 L467 H480 Q481 C482 W505 | L434-L478 HydrophobicContact CD2-CD1 3.89Å; F435-L478 HydrophobicContact CE2-CD1 4.1Å; F435-L478 HydrophobicContact CZ-CD1 3.87Å; L462-L478 HydrophobicContact CD1-CD2 3.74Å; L462-L478 HydrophobicContact CG-CD2 4.05Å; V465-L478 HydrophobicContact CB-CB 3.89Å; V465-L478 HydrophobicContact CB-CD2 4.21Å; V465-L478 HydrophobicContact CG1-CB 3.86Å; V465-L478 HydrophobicContact CG1-CD2 4.12Å; V465-L478 PolarHBondContact O-N 3.39Å; L467-L478 HydrophobicContact CD1-CB 4.43Å; L467-L478 HydrophobicContact CD1-CD1 3.86Å; L467-L478 HydrophobicContact CD2-CD1 4.49Å; L467-L478 HydrophobicContact CG-CB 4.41Å; L467-L478 HydrophobicContact CG-CD1 4.48Å; L478-H480 PolarHBondContact O-N 3.3Å; L478-Q481 PolarHBondContact O-N 3.46Å; L478-C482 PolarHBondContact O-N 3.15Å; L478-C482 PolarHBondContact O-SG 2.99Å; L478-W505 HydrophobicContact CD2-CH2 4.3Å; L478-W505 HydrophobicContact CG-CH2 4.31Å |
| 479 | F | 91.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.8 | -51 | 174.8 | 174.1 | -103.9 | 0 | 0 | 0 | 113 | L463 T477 Q481 C482 F483 L502 W505 F506 F516 | L463-F479 HydrophobicContact CD2-CB 4.2Å; L463-F479 HydrophobicContact CD2-CD2 4.34Å; L463-F479 HydrophobicContact CD2-CG 4.13Å; T477-F479 PolarHBondContact O-N 2.98Å; F479-Q481 VanDerWaalsContact C-N 3.35Å; F479-Q481 PolarHBondContact O-N 3.19Å; F479-C482 PolarHBondContact O-N 3.45Å; F479-F483 PolarHBondContact O-N 3.28Å; F479-L502 HydrophobicContact CD2-CD2 4.29Å; F479-L502 HydrophobicContact CE2-CD2 3.87Å; F479-W505 HydrophobicContact CB-CH2 3.92Å; F479-W505 HydrophobicContact CB-CZ2 4.28Å; F479-W505 HydrophobicContact CB-CZ3 4.45Å; F479-W505 HydrophobicContact CD2-CE3 4.41Å; F479-W505 HydrophobicContact CD2-CH2 4.41Å; F479-W505 HydrophobicContact CD2-CZ3 4.34Å; F479-F506 HydrophobicContact CD2-CE1 4.27Å; F479-F506 HydrophobicContact CE2-CD1 4.43Å; F479-F506 AromaticContact CE2-CE1 3.26Å; F479-F506 HydrophobicContact CE2-CE1 3.26Å; F479-F506 AromaticContact CE2-CZ 3.59Å; F479-F506 HydrophobicContact CE2-CZ 3.59Å; F479-F506 AromaticContact CZ-CE1 3.62Å; F479-F506 HydrophobicContact CZ-CE1 3.62Å; F479-F506 AromaticContact CZ-CZ 3.53Å; F479-F506 HydrophobicContact CZ-CZ 3.53Å; F479-F516 HydrophobicContact CE1-CB 4.02Å; F479-F516 AromaticContact CE1-CD2 3.92Å; F479-F516 HydrophobicContact CE1-CD2 3.92Å; F479-F516 HydrophobicContact CE1-CG 4.47Å; F479-F516 HydrophobicContact CZ-CB 3.75Å; F479-F516 AromaticContact CZ-CD2 3.52Å; F479-F516 HydrophobicContact CZ-CD2 3.52Å; F479-F516 HydrophobicContact CZ-CE2 4.48Å; F479-F516 HydrophobicContact CZ-CG 4.01Å |
| 480 | H | 89.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 178.4 | 172.3 | 38.5 | 0 | 0 | 0 | 111.5 | T477 L478 F483 M484 Y536 | T477-H480 PolarHBondContact O-N 3.29Å; T477-H480 VanDerWaalsContact OG1-CB 3.25Å; T477-H480 WeakPolarHBondContact OG1-CB 3.24Å; T477-H480 PolarHBondContact OG1-N 3.18Å; T477-H480 VanDerWaalsContact OG1-N 3.15Å; L478-H480 PolarHBondContact O-N 3.3Å; H480-F483 PolarHBondContact O-N 3.04Å; H480-M484 WeakPolarHBondContact CE1-CG 3.49Å; H480-M484 WeakPolarHBondContact O-CG 3.49Å; H480-M484 PolarHBondContact O-N 3.23Å; H480-Y536 AromaticContact CE1-CZ 3.72Å; H480-Y536 PolarHBondContact CE1-OH 3.04Å; H480-Y536 AromaticContact ND1-CE2 3.75Å; H480-Y536 AromaticContact ND1-CZ 3.61Å; H480-Y536 PolarHBondContact ND1-OH 3Å |
| 481 | Q | 91.1 | Very high | 88.4 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 179.3 | -171 | 63.2 | 29.6 | 0 | 0 | 112 | F435 L467 V476 T477 L478 F479 F483 M484 W485 | F435-Q481 HydrophobicContact CD1-CG 4.18Å; F435-Q481 HydrophobicContact CE1-CB 4.24Å; F435-Q481 HydrophobicContact CE1-CG 3.49Å; F435-Q481 VanDerWaalsContact CE1-CG 3.49Å; F435-Q481 HydrophobicContact CE2-CG 4.14Å; F435-Q481 HydrophobicContact CZ-CB 3.95Å; F435-Q481 HydrophobicContact CZ-CG 3.46Å; F435-Q481 VanDerWaalsContact CZ-CG 3.46Å; L467-Q481 HydrophobicContact CD1-CB 3.86Å; L467-Q481 HydrophobicContact CD1-CG 3.97Å; V476-Q481 HydrophobicContact CG2-CB 4.32Å; T477-Q481 PolarHBondContact O-N 3.32Å; L478-Q481 PolarHBondContact O-N 3.46Å; F479-Q481 VanDerWaalsContact C-N 3.35Å; F479-Q481 PolarHBondContact O-N 3.19Å; Q481-F483 VanDerWaalsContact C-N 3.32Å; Q481-F483 PolarHBondContact O-N 3.41Å; Q481-M484 PolarHBondContact O-N 3.38Å; Q481-W485 VanDerWaalsContact O-CB 3.24Å; Q481-W485 WeakPolarHBondContact O-CB 3.26Å; Q481-W485 PolarHBondContact O-N 2.93Å |
| 482 | C | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 174.9 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | L478 F479 W485 Q486 L498 L502 | L478-C482 PolarHBondContact O-N 3.15Å; L478-C482 PolarHBondContact O-SG 2.99Å; F479-C482 PolarHBondContact O-N 3.45Å; C482-W485 PolarHBondContact O-N 3.46Å; C482-Q486 WeakPolarHBondContact O-CB 3.42Å; C482-Q486 PolarHBondContact O-N 3.17Å; C482-L498 HydrophobicContact CB-CD2 4.39Å; C482-L502 HydrophobicContact CB-CD2 4.43Å |
| 483 | F | 91.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -50.7 | 176.8 | 178.6 | -91.6 | 0 | 0 | 0 | 111.7 | F479 H480 Q481 W485 Q486 Q487 F516 Y536 L540 | F479-F483 PolarHBondContact O-N 3.28Å; H480-F483 PolarHBondContact O-N 3.04Å; Q481-F483 VanDerWaalsContact C-N 3.32Å; Q481-F483 PolarHBondContact O-N 3.41Å; F483-W485 VanDerWaalsContact C-N 3.29Å; F483-W485 PolarHBondContact O-N 3.03Å; F483-Q486 PolarHBondContact O-N 3.41Å; F483-Q487 HydrophobicContact CD1-CG 4.46Å; F483-Q487 HydrophobicContact CE1-CG 3.89Å; F483-Q487 HydrophobicContact CE2-CG 4.48Å; F483-Q487 HydrophobicContact CZ-CG 3.89Å; F483-Q487 WeakPolarHBondContact O-CG 3.13Å; F483-Q487 PolarHBondContact O-N 2.82Å; F483-Q487 VanDerWaalsContact O-N 3.17Å; F483-F516 AromaticContact CD2-CE2 3.75Å; F483-F516 HydrophobicContact CD2-CE2 3.75Å; F483-F516 HydrophobicContact CD2-CZ 4.41Å; F483-F516 AromaticContact CE2-CE2 3.72Å; F483-F516 HydrophobicContact CE2-CE2 3.72Å; F483-F516 AromaticContact CE2-CZ 4Å; F483-F516 HydrophobicContact CE2-CZ 4Å; F483-F516 HydrophobicContact CG-CE2 4.38Å; F483-F516 HydrophobicContact CZ-CE2 4.37Å; F483-Y536 AromaticContact CD1-CD1 3.87Å; F483-Y536 HydrophobicContact CD1-CD1 3.87Å; F483-Y536 AromaticContact CD1-CD2 3.75Å; F483-Y536 HydrophobicContact CD1-CD2 3.75Å; F483-Y536 HydrophobicContact CD1-CE1 4.14Å; F483-Y536 HydrophobicContact CD1-CE2 4.02Å; F483-Y536 AromaticContact CD1-CG 3.69Å; F483-Y536 HydrophobicContact CD1-CG 3.69Å; F483-Y536 AromaticContact CE1-CD1 3.26Å; F483-Y536 HydrophobicContact CE1-CD1 3.26Å; F483-Y536 AromaticContact CE1-CD2 3.84Å; F483-Y536 HydrophobicContact CE1-CD2 3.84Å; F483-Y536 AromaticContact CE1-CE1 3.9Å; F483-Y536 HydrophobicContact CE1-CE1 3.9Å; F483-Y536 HydrophobicContact CE1-CE2 4.38Å; F483-Y536 AromaticContact CE1-CG 3.25Å; F483-Y536 HydrophobicContact CE1-CG 3.25Å; F483-Y536 HydrophobicContact CE2-CG 4.44Å; F483-Y536 HydrophobicContact CG-CD2 4.3Å; F483-Y536 HydrophobicContact CG-CG 4.47Å; F483-Y536 HydrophobicContact CZ-CD1 4.01Å; F483-Y536 HydrophobicContact CZ-CD2 4.41Å; F483-Y536 AromaticContact CZ-CG 3.7Å; F483-Y536 HydrophobicContact CZ-CG 3.7Å; F483-L540 HydrophobicContact CE2-CD1 3.85Å; F483-L540 HydrophobicContact CE2-CD2 3.74Å; F483-L540 HydrophobicContact CE2-CG 3.68Å; F483-L540 HydrophobicContact CZ-CD2 4.31Å; F483-L540 HydrophobicContact CZ-CG 4.14Å |
| 484 | M | 89.9 | Confident | 90.4 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 179.5 | -69.4 | -58.6 | -60.9 | 0 | 0 | 111.8 | H480 Q481 Q487 Q488 Y536 | H480-M484 WeakPolarHBondContact CE1-CG 3.49Å; H480-M484 WeakPolarHBondContact O-CG 3.49Å; H480-M484 PolarHBondContact O-N 3.23Å; Q481-M484 PolarHBondContact O-N 3.38Å; M484-Q487 PolarHBondContact O-N 3.25Å; M484-Q488 VanDerWaalsContact CE-NE2 3.34Å; M484-Q488 WeakPolarHBondContact O-CB 3.42Å; M484-Q488 VanDerWaalsContact O-CG 3.28Å; M484-Q488 WeakPolarHBondContact O-CG 3.24Å; M484-Q488 PolarHBondContact O-N 3.43Å; M484-Y536 HydrophobicContact SD-CE1 4.02Å |
| 485 | W | 90.8 | Very high | 90.9 | Very high | 48 Ų | 48 | 38 Ų | 38 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 179.1 | -164 | -125 | 0 | 0 | 0 | 111.9 | F435 Q481 C482 F483 Q487 Q488 C489 L498 | F435-W485 HydrophobicContact CD1-CB 4.22Å; F435-W485 AromaticContact CD1-CD1 3.8Å; F435-W485 HydrophobicContact CD1-CD2 4.41Å; F435-W485 AromaticContact CD1-CG 3.92Å; F435-W485 HydrophobicContact CD1-CG 3.92Å; F435-W485 HydrophobicContact CE1-CB 4.24Å; F435-W485 HydrophobicContact CE1-CG 4.41Å; Q481-W485 VanDerWaalsContact O-CB 3.24Å; Q481-W485 WeakPolarHBondContact O-CB 3.26Å; Q481-W485 PolarHBondContact O-N 2.93Å; C482-W485 PolarHBondContact O-N 3.46Å; F483-W485 VanDerWaalsContact C-N 3.29Å; F483-W485 PolarHBondContact O-N 3.03Å; W485-Q487 VanDerWaalsContact C-N 3.27Å; W485-Q487 PolarHBondContact O-N 3.34Å; W485-Q488 PolarHBondContact O-N 2.89Å; W485-C489 WeakPolarHBondContact O-CB 3.48Å; W485-C489 PolarHBondContact O-N 2.87Å; W485-L498 HydrophobicContact CB-CD1 4.26Å; W485-L498 HydrophobicContact CG-CD1 4.27Å |
| 486 | Q | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -34.8 | 173.5 | 177.8 | -80.9 | -32.2 | 0 | 0 | 112.4 | C482 F483 R495 L498 L499 E543 | C482-Q486 WeakPolarHBondContact O-CB 3.42Å; C482-Q486 PolarHBondContact O-N 3.17Å; F483-Q486 PolarHBondContact O-N 3.41Å; Q486-R495 PolarHBondContact O-NE 2.71Å; Q486-L498 HydrophobicContact CB-CB 4.01Å; Q486-L498 HydrophobicContact CB-CD1 3.96Å; Q486-L498 HydrophobicContact CG-CB 4.35Å; Q486-L499 HydrophobicContact CG-CD2 3.93Å; Q486-L499 HydrophobicContact CG-CG 3.83Å; Q486-E543 PolarHBondContact NE2-OE1 3.01Å |
| 487 | Q | 89.9 | Confident | 91.8 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -79.6 | -34.5 | 178.8 | -69.7 | -65.4 | -41.5 | 0 | 0 | 113.6 | F483 M484 W485 T539 E543 | F483-Q487 HydrophobicContact CD1-CG 4.46Å; F483-Q487 HydrophobicContact CE1-CG 3.89Å; F483-Q487 HydrophobicContact CE2-CG 4.48Å; F483-Q487 HydrophobicContact CZ-CG 3.89Å; F483-Q487 WeakPolarHBondContact O-CG 3.13Å; F483-Q487 PolarHBondContact O-N 2.82Å; F483-Q487 VanDerWaalsContact O-N 3.17Å; M484-Q487 PolarHBondContact O-N 3.25Å; W485-Q487 VanDerWaalsContact C-N 3.27Å; W485-Q487 PolarHBondContact O-N 3.34Å; Q487-T539 VanDerWaalsContact OE1-CG2 3.31Å; Q487-E543 PolarHBondContact NE2-OE2 2.94Å |
| 488 | Q | 88.7 | Confident | 92 | Very high | 99 Ų | 99 | 31.8 Ų | 31.8 | 46% | 0.463 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -90 | -25.9 | -174.9 | -69.6 | 175.8 | -4.8 | 0 | 0 | 113.6 | M484 W485 | M484-Q488 VanDerWaalsContact CE-NE2 3.34Å; M484-Q488 WeakPolarHBondContact O-CB 3.42Å; M484-Q488 VanDerWaalsContact O-CG 3.28Å; M484-Q488 WeakPolarHBondContact O-CG 3.24Å; M484-Q488 PolarHBondContact O-N 3.43Å; W485-Q488 PolarHBondContact O-N 2.89Å |
| 489 | C | 87.5 | Confident | 92.3 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | trans | -80.5 | 125.6 | -176.7 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | W485 H491 T494 R495 | W485-C489 WeakPolarHBondContact O-CB 3.48Å; W485-C489 PolarHBondContact O-N 2.87Å; C489-H491 VanDerWaalsContact C-N 3.31Å; C489-H491 PolarHBondContact SG-N 3.48Å; C489-T494 HydrophobicContact CB-CG2 4.47Å; C489-R495 WeakPolarHBondContact O-CD 3.41Å; C489-R495 WeakPolarHBondContact O-CG 3.3Å | ||
| 490 | N | 86 | Confident | 92.6 | Very high | 154 Ų | 154 | 31.6 Ų | 31.6 | 82% | 0.824 | 15% | 0.151 | S | C | * | . | trans | -83.4 | -7.5 | 175.7 | -66.6 | -23.5 | 0 | 0 | 0 | 113.1 | F492 | N490-F492 PolarHBondContact O-N 3.5Š| ||
| 491 | H | 91 | Very high | 93 | Very high | 80 Ų | 80 | 30.5 Ų | 30.5 | 37% | 0.37 | 15% | 0.145 | S | C | . | . | trans | -77.7 | 109.2 | -176.4 | -165.4 | -95.4 | 0 | 0 | 0 | 110.6 | C489 Q493 T494 R495 | C489-H491 VanDerWaalsContact C-N 3.31Å; C489-H491 PolarHBondContact SG-N 3.48Å; H491-Q493 PolarHBondContact O-N 3.44Å; H491-T494 PolarHBondContact ND1-OG1 2.88Å; H491-T494 WeakPolarHBondContact O-CB 3.26Å; H491-T494 PolarHBondContact O-N 3.49Å; H491-R495 PolarHBondContact O-N 3.27Å; H491-R495 VanDerWaalsContact O-N 3.12Å | ||
| 492 | F | 93.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 18% | 0.18 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -46.8 | -54.4 | -176.5 | 165 | -112.7 | 0 | 0 | 0 | 112.9 | N490 T494 R495 M496 N552 L555 V556 I627 | N490-F492 PolarHBondContact O-N 3.5Å; F492-T494 VanDerWaalsContact C-N 3.28Å; F492-T494 PolarHBondContact O-N 3.19Å; F492-R495 WeakPolarHBondContact O-CB 3.29Å; F492-R495 PolarHBondContact O-N 3.25Å; F492-R495 VanDerWaalsContact O-N 3.14Å; F492-M496 HydrophobicContact CD2-CG 3.81Å; F492-M496 HydrophobicContact CD2-SD 4.42Å; F492-M496 HydrophobicContact CE1-CG 4.21Å; F492-M496 HydrophobicContact CE2-CG 3.33Å; F492-M496 HydrophobicContact CE2-SD 3.67Å; F492-M496 HydrophobicContact CG-CG 4.42Å; F492-M496 HydrophobicContact CZ-CG 3.57Å; F492-M496 HydrophobicContact CZ-SD 4.16Å; F492-M496 WeakPolarHBondContact O-CG 3.28Å; F492-M496 PolarHBondContact O-N 2.84Å; F492-N552 HydrophobicContact CD1-CB 4.23Å; F492-N552 HydrophobicContact CD2-CB 3.57Å; F492-N552 HydrophobicContact CE1-CB 4.3Å; F492-N552 WeakPolarHBondContact CE1-OD1 3.3Å; F492-N552 HydrophobicContact CE2-CB 3.65Å; F492-N552 WeakPolarHBondContact CE2-O 3.41Å; F492-N552 HydrophobicContact CG-CB 3.87Å; F492-N552 HydrophobicContact CZ-CB 4.02Å; F492-N552 WeakPolarHBondContact CZ-OD1 3.44Å; F492-L555 HydrophobicContact CE2-CB 4.26Å; F492-L555 HydrophobicContact CZ-CD1 4.04Å; F492-V556 HydrophobicContact CD2-CG2 3.73Å; F492-V556 HydrophobicContact CE2-CG2 3.94Å; F492-I627 HydrophobicContact CE1-CD1 3.85Å; F492-I627 HydrophobicContact CE1-CG1 3.99Å; F492-I627 HydrophobicContact CE1-CG2 4.33Å; F492-I627 HydrophobicContact CZ-CD1 4.22Å; F492-I627 HydrophobicContact CZ-CG1 4.47Å; F492-I627 HydrophobicContact CZ-CG2 4.02Å |
| 493 | Q | 93.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.3 | -39.4 | -178.5 | 177.3 | -177.8 | 49.2 | 0 | 0 | 112.6 | S439 W442 H491 M496 G497 T623 L626 | S439-Q493 VanDerWaalsContact CB-OE1 3.23Å; W442-Q493 HydrophobicContact CB-CG 3.74Å; W442-Q493 HydrophobicContact CG-CG 3.88Å; H491-Q493 PolarHBondContact O-N 3.44Å; Q493-M496 PolarHBondContact O-N 2.92Å; Q493-G497 PolarHBondContact O-N 3.09Å; Q493-T623 PolarHBondContact NE2-O 3.32Å; Q493-L626 PolarHBondContact NE2-O 3.12Å; Q493-L626 VanDerWaalsContact NE2-O 3.11Å |
| 494 | T | 94.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 179.7 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | A441 C489 H491 F492 M496 G497 L498 | A441-T494 HydrophobicContact CB-CG2 3.62Å; C489-T494 HydrophobicContact CB-CG2 4.47Å; H491-T494 PolarHBondContact ND1-OG1 2.88Å; H491-T494 WeakPolarHBondContact O-CB 3.26Å; H491-T494 PolarHBondContact O-N 3.49Å; F492-T494 VanDerWaalsContact C-N 3.28Å; F492-T494 PolarHBondContact O-N 3.19Å; T494-M496 VanDerWaalsContact C-N 3.34Å; T494-M496 PolarHBondContact O-N 2.7Å; T494-G497 PolarHBondContact O-N 2.66Å; T494-L498 HydrophobicContact CG2-CD1 3.94Å; T494-L498 WeakPolarHBondContact O-CG 3.43Å; T494-L498 PolarHBondContact O-N 3.07Å |
| 495 | R | 95.2 | Very high | 94.1 | Very high | 41 Ų | 41 | 26 Ų | 26 | 16% | 0.155 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.1 | -61.9 | 175.8 | 79.8 | -173.4 | 0.4 | 111.1 | Q486 C489 H491 F492 G497 L498 L499 E543 V556 | Q486-R495 PolarHBondContact O-NE 2.71Å; C489-R495 WeakPolarHBondContact O-CD 3.41Å; C489-R495 WeakPolarHBondContact O-CG 3.3Å; H491-R495 PolarHBondContact O-N 3.27Å; H491-R495 VanDerWaalsContact O-N 3.12Å; F492-R495 WeakPolarHBondContact O-CB 3.29Å; F492-R495 PolarHBondContact O-N 3.25Å; F492-R495 VanDerWaalsContact O-N 3.14Å; R495-G497 PolarHBondContact O-N 2.62Å; R495-L498 PolarHBondContact O-N 2.81Å; R495-L499 WeakPolarHBondContact O-CB 3.4Å; R495-L499 VanDerWaalsContact O-CG 3.29Å; R495-L499 WeakPolarHBondContact O-CG 3.46Å; R495-L499 PolarHBondContact O-N 2.73Å; R495-E543 IonicContact CZ-OE1 3.7Å; R495-E543 IonicContact NH2-OE1 2.89Å; R495-E543 PolarHBondContact NH2-OE1 3.37Å; R495-V556 HydrophobicContact CB-CG2 4.41Å |
| 496 | M | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.3 | -69.1 | -57.8 | -71.7 | 0 | 0 | 112.3 | F492 Q493 T494 Q500 L555 V556 L559 I627 F628 | F492-M496 HydrophobicContact CD2-CG 3.81Å; F492-M496 HydrophobicContact CD2-SD 4.42Å; F492-M496 HydrophobicContact CE1-CG 4.21Å; F492-M496 HydrophobicContact CE2-CG 3.33Å; F492-M496 HydrophobicContact CE2-SD 3.67Å; F492-M496 HydrophobicContact CG-CG 4.42Å; F492-M496 HydrophobicContact CZ-CG 3.57Å; F492-M496 HydrophobicContact CZ-SD 4.16Å; F492-M496 WeakPolarHBondContact O-CG 3.28Å; F492-M496 PolarHBondContact O-N 2.84Å; Q493-M496 PolarHBondContact O-N 2.92Å; T494-M496 VanDerWaalsContact C-N 3.34Å; T494-M496 PolarHBondContact O-N 2.7Å; M496-Q500 VanDerWaalsContact O-CG 3.24Å; M496-Q500 WeakPolarHBondContact O-CG 3.47Å; M496-Q500 PolarHBondContact O-N 3.33Å; M496-Q500 VanDerWaalsContact O-N 3.12Å; M496-Q500 PolarHBondContact O-NE2 3.44Å; M496-L555 HydrophobicContact CE-CB 3.98Å; M496-L555 HydrophobicContact SD-CB 4.17Å; M496-V556 HydrophobicContact CG-CG2 4.46Å; M496-V556 HydrophobicContact SD-CG2 3.84Å; M496-L559 HydrophobicContact CE-CD1 3.41Å; M496-L559 VanDerWaalsContact CE-CD1 3.41Å; M496-L559 HydrophobicContact CE-CG 4.24Å; M496-L559 HydrophobicContact SD-CD1 3.82Å; M496-I627 HydrophobicContact CE-CG2 3.77Å; M496-I627 HydrophobicContact CG-CG2 4.32Å; M496-F628 HydrophobicContact CE-CD1 4.4Å; M496-F628 HydrophobicContact CE-CE1 3.62Å; M496-F628 HydrophobicContact CE-CE2 4.1Å; M496-F628 HydrophobicContact CE-CZ 3.44Å; M496-F628 VanDerWaalsContact CE-CZ 3.44Å |
| 497 | G | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S445 Q493 T494 R495 Q500 L501 | S445-G497 VanDerWaalsContact CB-O 3.28Å; S445-G497 WeakPolarHBondContact CB-O 3.25Å; Q493-G497 PolarHBondContact O-N 3.09Å; T494-G497 PolarHBondContact O-N 2.66Å; R495-G497 PolarHBondContact O-N 2.62Å; G497-Q500 PolarHBondContact O-N 3.28Å; G497-L501 PolarHBondContact O-N 2.92Å |
| 498 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | -178.9 | -67.9 | 166 | 0 | 0 | 0 | 112.6 | L434 C482 W485 Q486 T494 R495 L501 L502 | L434-L498 HydrophobicContact CD1-CD2 3.74Å; L434-L498 HydrophobicContact CG-CD2 4.22Å; C482-L498 HydrophobicContact CB-CD2 4.39Å; W485-L498 HydrophobicContact CB-CD1 4.26Å; W485-L498 HydrophobicContact CG-CD1 4.27Å; Q486-L498 HydrophobicContact CB-CB 4.01Å; Q486-L498 HydrophobicContact CB-CD1 3.96Å; Q486-L498 HydrophobicContact CG-CB 4.35Å; T494-L498 HydrophobicContact CG2-CD1 3.94Å; T494-L498 WeakPolarHBondContact O-CG 3.43Å; T494-L498 PolarHBondContact O-N 3.07Å; R495-L498 PolarHBondContact O-N 2.81Å; L498-L501 WeakPolarHBondContact O-CB 3.27Å; L498-L501 PolarHBondContact O-N 3.23Å; L498-L502 WeakPolarHBondContact O-CB 3.41Å; L498-L502 VanDerWaalsContact O-CG 3.27Å; L498-L502 WeakPolarHBondContact O-CG 3.45Å; L498-L502 PolarHBondContact O-N 3.48Å |
| 499 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 176.7 | -76.4 | 169.5 | 0 | 0 | 0 | 111.5 | Q486 R495 L501 L502 C503 V556 L559 L563 | Q486-L499 HydrophobicContact CG-CD2 3.93Å; Q486-L499 HydrophobicContact CG-CG 3.83Å; R495-L499 WeakPolarHBondContact O-CB 3.4Å; R495-L499 VanDerWaalsContact O-CG 3.29Å; R495-L499 WeakPolarHBondContact O-CG 3.46Å; R495-L499 PolarHBondContact O-N 2.73Å; L499-L501 VanDerWaalsContact C-N 3.34Å; L499-L501 PolarHBondContact O-N 3.34Å; L499-L502 PolarHBondContact O-N 3.29Å; L499-C503 WeakPolarHBondContact O-CB 3.43Å; L499-C503 PolarHBondContact O-N 3.01Å; L499-C503 PolarHBondContact O-SG 3.18Å; L499-C503 VanDerWaalsContact O-SG 3.35Å; L499-V556 HydrophobicContact CD1-CG1 3.96Å; L499-L559 HydrophobicContact CB-CB 4.03Å; L499-L559 HydrophobicContact CB-CD1 3.92Å; L499-L559 HydrophobicContact CD1-CB 3.94Å; L499-L559 HydrophobicContact CG-CB 4.46Å; L499-L563 HydrophobicContact CD2-CD2 4.21Å |
| 500 | Q | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.3 | -71.9 | 175.5 | 86.3 | 0 | 0 | 112 | L449 M496 G497 T504 L559 I627 F632 | L449-Q500 HydrophobicContact CD1-CB 3.89Å; M496-Q500 VanDerWaalsContact O-CG 3.24Å; M496-Q500 WeakPolarHBondContact O-CG 3.47Å; M496-Q500 PolarHBondContact O-N 3.33Å; M496-Q500 VanDerWaalsContact O-N 3.12Å; M496-Q500 PolarHBondContact O-NE2 3.44Å; G497-Q500 PolarHBondContact O-N 3.28Å; Q500-T504 WeakPolarHBondContact O-CB 3.04Å; Q500-T504 PolarHBondContact O-N 3.46Å; Q500-T504 PolarHBondContact O-OG1 3.36Å; Q500-L559 HydrophobicContact CG-CD1 4.11Å; Q500-I627 PolarHBondContact NE2-O 3.27Å; Q500-F632 HydrophobicContact CB-CD1 4.36Å; Q500-F632 HydrophobicContact CB-CD2 3.73Å; Q500-F632 HydrophobicContact CB-CE2 4.02Å; Q500-F632 HydrophobicContact CB-CG 3.91Å; Q500-F632 HydrophobicContact CB-CZ 4.45Å; Q500-F632 HydrophobicContact CG-CB 4.39Å; Q500-F632 HydrophobicContact CG-CD1 3.56Å; Q500-F632 HydrophobicContact CG-CD2 3.83Å; Q500-F632 HydrophobicContact CG-CE1 3.72Å; Q500-F632 HydrophobicContact CG-CE2 3.98Å; Q500-F632 HydrophobicContact CG-CG 3.61Å; Q500-F632 HydrophobicContact CG-CZ 3.92Å |
| 501 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 174.3 | 174.2 | 61.7 | 0 | 0 | 0 | 111.2 | L434 L448 L449 I452 G497 L498 L499 T504 W505 | L434-L501 HydrophobicContact CD1-CD2 4.32Å; L448-L501 HydrophobicContact CB-CD1 3.9Å; L448-L501 HydrophobicContact CB-CD2 4.21Å; L448-L501 HydrophobicContact CD1-CD2 4.35Å; L449-L501 HydrophobicContact CB-CD1 4.23Å; I452-L501 HydrophobicContact CD1-CD1 3.84Å; G497-L501 PolarHBondContact O-N 2.92Å; L498-L501 WeakPolarHBondContact O-CB 3.27Å; L498-L501 PolarHBondContact O-N 3.23Å; L499-L501 VanDerWaalsContact C-N 3.34Å; L499-L501 PolarHBondContact O-N 3.34Å; L501-T504 PolarHBondContact O-N 3.45Å; L501-W505 HydrophobicContact CG-CE3 4.44Å; L501-W505 WeakPolarHBondContact O-CB 3.35Å; L501-W505 PolarHBondContact O-N 2.84Å |
| 502 | L | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | -178.9 | -71.8 | 169.6 | 0 | 0 | 0 | 112.4 | F479 C482 L498 L499 T504 W505 F506 L563 | F479-L502 HydrophobicContact CD2-CD2 4.29Å; F479-L502 HydrophobicContact CE2-CD2 3.87Å; C482-L502 HydrophobicContact CB-CD2 4.43Å; L498-L502 WeakPolarHBondContact O-CB 3.41Å; L498-L502 VanDerWaalsContact O-CG 3.27Å; L498-L502 WeakPolarHBondContact O-CG 3.45Å; L498-L502 PolarHBondContact O-N 3.48Å; L499-L502 PolarHBondContact O-N 3.29Å; L502-T504 VanDerWaalsContact C-N 3.3Å; L502-T504 PolarHBondContact O-N 2.94Å; L502-W505 PolarHBondContact O-N 3.17Å; L502-F506 PolarHBondContact O-N 2.82Å; L502-L563 HydrophobicContact CB-CD1 4.05Å; L502-L563 HydrophobicContact CB-CD2 4.11Å; L502-L563 HydrophobicContact CD1-CD2 4.28Å |
| 503 | C | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.6 | -75.8 | 0 | 0 | 0 | 0 | 111.3 | L499 T507 I566 F632 | L499-C503 WeakPolarHBondContact O-CB 3.43Å; L499-C503 PolarHBondContact O-N 3.01Å; L499-C503 PolarHBondContact O-SG 3.18Å; L499-C503 VanDerWaalsContact O-SG 3.35Å; C503-T507 PolarHBondContact O-N 3.12Å; C503-T507 VanDerWaalsContact O-N 3.15Å; C503-T507 PolarHBondContact O-OG1 3.37Å; C503-I566 HydrophobicContact CB-CD1 3.84Å; C503-F632 HydrophobicContact CB-CE2 3.79Å; C503-F632 HydrophobicContact CB-CZ 4.31Å |
| 504 | T | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | L449 K459 Q500 L501 L502 L635 | L449-T504 WeakPolarHBondContact CD1-OG1 3.46Å; L449-T504 HydrophobicContact CD2-CG2 4.2Å; L449-T504 HydrophobicContact CG-CG2 3.93Å; L449-T504 WeakPolarHBondContact CG-OG1 3.37Å; K459-T504 WeakPolarHBondContact CE-O 3.47Å; K459-T504 PolarHBondContact NZ-O 3.18Å; Q500-T504 WeakPolarHBondContact O-CB 3.04Å; Q500-T504 PolarHBondContact O-N 3.46Å; Q500-T504 PolarHBondContact O-OG1 3.36Å; L501-T504 PolarHBondContact O-N 3.45Å; L502-T504 VanDerWaalsContact C-N 3.3Å; L502-T504 PolarHBondContact O-N 2.94Å; T504-L635 HydrophobicContact CG2-CD2 4.1Å; T504-L635 WeakPolarHBondContact OG1-CD2 3.4Å |
| 505 | W | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | -179.9 | -157.9 | -19.8 | 0 | 0 | 0 | 111.8 | I452 K459 L462 L463 L478 F479 L501 L502 C509 | I452-W505 HydrophobicContact CD1-CB 3.75Å; I452-W505 HydrophobicContact CD1-CD2 4.02Å; I452-W505 HydrophobicContact CD1-CE3 4.46Å; I452-W505 HydrophobicContact CD1-CG 3.69Å; K459-W505 WeakPolarHBondContact CD-O 3.36Å; K459-W505 PolarHBondContact O-NE1 3.01Å; L462-W505 HydrophobicContact CB-CH2 4.16Å; L462-W505 HydrophobicContact CB-CZ2 3.5Å; L462-W505 HydrophobicContact CD2-CD2 4.03Å; L462-W505 HydrophobicContact CD2-CE3 4Å; L462-W505 HydrophobicContact CD2-CH2 3.41Å; L462-W505 VanDerWaalsContact CD2-CH2 3.41Å; L462-W505 HydrophobicContact CD2-CZ2 3.42Å; L462-W505 VanDerWaalsContact CD2-CZ2 3.42Å; L462-W505 HydrophobicContact CD2-CZ3 3.7Å; L462-W505 HydrophobicContact CG-CH2 3.45Å; L462-W505 VanDerWaalsContact CG-CH2 3.45Å; L462-W505 HydrophobicContact CG-CZ2 3.33Å; L462-W505 HydrophobicContact CG-CZ3 4.24Å; L463-W505 HydrophobicContact CD2-CZ2 3.86Å; L463-W505 HydrophobicContact CG-CZ2 4.37Å; L478-W505 HydrophobicContact CD2-CH2 4.3Å; L478-W505 HydrophobicContact CG-CH2 4.31Å; F479-W505 HydrophobicContact CB-CH2 3.92Å; F479-W505 HydrophobicContact CB-CZ2 4.28Å; F479-W505 HydrophobicContact CB-CZ3 4.45Å; F479-W505 HydrophobicContact CD2-CE3 4.41Å; F479-W505 HydrophobicContact CD2-CH2 4.41Å; F479-W505 HydrophobicContact CD2-CZ3 4.34Å; L501-W505 HydrophobicContact CG-CE3 4.44Å; L501-W505 WeakPolarHBondContact O-CB 3.35Å; L501-W505 PolarHBondContact O-N 2.84Å; L502-W505 PolarHBondContact O-N 3.17Å; W505-C509 VanDerWaalsContact O-CB 3.32Å; W505-C509 WeakPolarHBondContact O-CB 3.36Å |
| 506 | F | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -77.2 | -29.9 | -179.3 | -76.3 | 8.1 | 0 | 0 | 0 | 113.9 | F479 L502 N508 C509 A512 V513 F516 L563 I566 C567 | F479-F506 HydrophobicContact CD2-CE1 4.27Å; F479-F506 HydrophobicContact CE2-CD1 4.43Å; F479-F506 AromaticContact CE2-CE1 3.26Å; F479-F506 HydrophobicContact CE2-CE1 3.26Å; F479-F506 AromaticContact CE2-CZ 3.59Å; F479-F506 HydrophobicContact CE2-CZ 3.59Å; F479-F506 AromaticContact CZ-CE1 3.62Å; F479-F506 HydrophobicContact CZ-CE1 3.62Å; F479-F506 AromaticContact CZ-CZ 3.53Å; F479-F506 HydrophobicContact CZ-CZ 3.53Å; L502-F506 PolarHBondContact O-N 2.82Å; F506-N508 PolarHBondContact O-N 3.13Å; F506-C509 PolarHBondContact O-N 3.34Å; F506-C509 VanDerWaalsContact O-N 3.09Å; F506-A512 HydrophobicContact CD1-CB 3.87Å; F506-A512 HydrophobicContact CE1-CB 4.18Å; F506-V513 HydrophobicContact CB-CG2 4.14Å; F506-V513 HydrophobicContact CD2-CG2 4.34Å; F506-V513 HydrophobicContact CG-CG2 4.2Å; F506-F516 HydrophobicContact CE1-CB 4.27Å; F506-F516 HydrophobicContact CE2-CB 4.18Å; F506-F516 AromaticContact CE2-CD1 3.82Å; F506-F516 HydrophobicContact CE2-CD1 3.82Å; F506-F516 HydrophobicContact CE2-CD2 4.48Å; F506-F516 HydrophobicContact CE2-CE1 4.31Å; F506-F516 AromaticContact CE2-CG 3.91Å; F506-F516 HydrophobicContact CE2-CG 3.91Å; F506-F516 HydrophobicContact CZ-CB 3.55Å; F506-F516 AromaticContact CZ-CD1 3.97Å; F506-F516 HydrophobicContact CZ-CD1 3.97Å; F506-F516 AromaticContact CZ-CD2 3.95Å; F506-F516 HydrophobicContact CZ-CD2 3.95Å; F506-F516 AromaticContact CZ-CG 3.55Å; F506-F516 HydrophobicContact CZ-CG 3.55Å; F506-L563 HydrophobicContact CD2-CD1 3.43Å; F506-L563 VanDerWaalsContact CD2-CD1 3.43Å; F506-L563 HydrophobicContact CD2-CG 4.38Å; F506-L563 HydrophobicContact CE2-CD1 3.76Å; F506-L563 HydrophobicContact CE2-CG 4.39Å; F506-L563 HydrophobicContact CG-CD1 4.1Å; F506-I566 HydrophobicContact CB-CG2 3.48Å; F506-I566 VanDerWaalsContact CB-CG2 3.48Å; F506-C567 VanDerWaalsContact CE2-SG 3.54Å |
| 507 | T | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 128.4 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | K459 C503 C509 Y570 L635 L639 | K459-T507 PolarHBondContact NZ-O 3.42Å; C503-T507 PolarHBondContact O-N 3.12Å; C503-T507 VanDerWaalsContact O-N 3.15Å; C503-T507 PolarHBondContact O-OG1 3.37Å; T507-C509 PolarHBondContact O-N 2.82Å; T507-C509 VanDerWaalsContact O-N 3.13Å; T507-Y570 HydrophobicContact CG2-CE2 4.04Å; T507-L635 HydrophobicContact CG2-CD1 4Å; T507-L639 HydrophobicContact CG2-CD2 3.97Å |
| 508 | N | 94.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 15.9 Ų | 15.9 | 39% | 0.385 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 16.5 | -177.7 | -62 | -33.9 | 0 | 0 | 0 | 115 | V456 F506 Y570 | V456-N508 HydrophobicContact CG2-CB 4.27Å; F506-N508 PolarHBondContact O-N 3.13Å; N508-Y570 HydrophobicContact CB-CE1 4.48Å; N508-Y570 WeakPolarHBondContact OD1-CE1 3.11Å; N508-Y570 PolarHBondContact OD1-OH 3.1Å |
| 509 | C | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | trans | -125.6 | 85.3 | 178.4 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | K459 W505 F506 T507 E511 A512 V513 | K459-C509 HydrophobicContact CB-CB 4.15Å; K459-C509 HydrophobicContact CD-CB 3.95Å; W505-C509 VanDerWaalsContact O-CB 3.32Å; W505-C509 WeakPolarHBondContact O-CB 3.36Å; F506-C509 PolarHBondContact O-N 3.34Å; F506-C509 VanDerWaalsContact O-N 3.09Å; T507-C509 PolarHBondContact O-N 2.82Å; T507-C509 VanDerWaalsContact O-N 3.13Å; C509-E511 PolarHBondContact O-N 3.34Å; C509-A512 HydrophobicContact CB-CB 4Å; C509-A512 PolarHBondContact O-N 3.02Å; C509-A512 VanDerWaalsContact SG-CB 3.57Å; C509-A512 PolarHBondContact SG-N 3.46Å; C509-V513 PolarHBondContact O-N 2.93Å | ||
| 510 | S | 93.5 | Very high | 90.1 | Very high | 59 Ų | 59 | 21.4 Ų | 21.4 | 41% | 0.413 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.5 | -30 | 179 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | V513 R514 Y570 | S510-V513 PolarHBondContact O-N 3.32Å; S510-R514 WeakPolarHBondContact O-CB 3.37Å; S510-R514 PolarHBondContact O-N 3.37Å; S510-Y570 WeakPolarHBondContact CA-O 3.35Å |
| 511 | E | 92.5 | Very high | 87.5 | Confident | 56 Ų | 56 | 24.8 Ų | 24.8 | 26% | 0.262 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -69 | -39.2 | 177.4 | -176.9 | 52.3 | -148 | 0 | 0 | 112.7 | E460 L463 C509 R514 C515 | E460-E511 HydrophobicContact CG-CB 4.12Å; E460-E511 HydrophobicContact CG-CG 4.3Å; L463-E511 HydrophobicContact CD1-CG 4.03Å; C509-E511 PolarHBondContact O-N 3.34Å; E511-R514 WeakPolarHBondContact O-CB 3.28Å; E511-R514 PolarHBondContact O-N 2.95Å; E511-R514 IonicContact OE1-CZ 3.5Å; E511-R514 VanDerWaalsContact OE1-CZ 3.31Å; E511-R514 IonicContact OE1-NE 2.76Å; E511-R514 PolarHBondContact OE1-NE 3.14Å; E511-R514 IonicContact OE1-NH2 2.59Å; E511-R514 PolarHBondContact OE1-NH2 3.3Å; E511-R514 IonicContact OE2-CZ 2.61Å; E511-R514 IonicContact OE2-NE 3.31Å; E511-R514 PolarHBondContact OE2-NE 3.31Å; E511-R514 IonicContact OE2-NH2 3.42Å; E511-R514 PolarHBondContact OE2-NH2 2.89Å; E511-C515 WeakPolarHBondContact O-CB 3.07Å; E511-C515 PolarHBondContact O-N 3.35Å; E511-C515 PolarHBondContact O-SG 3.29Å; E511-C515 PolarHBondContact OE1-SG 2.89Å; E511-C515 VanDerWaalsContact OE1-SG 3.38Å |
| 512 | A | 92.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L463 F506 C509 R514 C515 F516 | L463-A512 HydrophobicContact CD1-CB 4.13Å; L463-A512 HydrophobicContact CD2-CB 4.11Å; F506-A512 HydrophobicContact CD1-CB 3.87Å; F506-A512 HydrophobicContact CE1-CB 4.18Å; C509-A512 HydrophobicContact CB-CB 4Å; C509-A512 PolarHBondContact O-N 3.02Å; C509-A512 VanDerWaalsContact SG-CB 3.57Å; C509-A512 PolarHBondContact SG-N 3.46Å; A512-R514 PolarHBondContact O-N 3.04Å; A512-C515 PolarHBondContact O-N 3.28Å; A512-F516 WeakPolarHBondContact O-CB 3.46Å; A512-F516 PolarHBondContact O-N 3.02Å |
| 513 | V | 92.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | F506 C509 S510 C515 F516 L517 C567 | F506-V513 HydrophobicContact CB-CG2 4.14Å; F506-V513 HydrophobicContact CD2-CG2 4.34Å; F506-V513 HydrophobicContact CG-CG2 4.2Å; C509-V513 PolarHBondContact O-N 2.93Å; S510-V513 PolarHBondContact O-N 3.32Å; V513-C515 PolarHBondContact O-N 3.12Å; V513-F516 PolarHBondContact O-N 3.17Å; V513-L517 HydrophobicContact CG1-CD1 3.73Å; V513-L517 HydrophobicContact CG1-CG 4.25Å; V513-L517 WeakPolarHBondContact O-CB 3.44Å; V513-L517 VanDerWaalsContact O-CG 3.28Å; V513-L517 WeakPolarHBondContact O-CG 3.24Å; V513-L517 PolarHBondContact O-N 2.67Å; V513-C567 HydrophobicContact CG1-CB 4.41Å |
| 514 | R | 90.3 | Very high | 78.6 | Confident | 72 Ų | 72 | 38.6 Ų | 38.6 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 175.4 | -164.4 | -172.3 | 66.5 | 76.7 | -2.8 | 111.7 | S510 E511 A512 F516 L517 N518 P572 V575 | S510-R514 WeakPolarHBondContact O-CB 3.37Å; S510-R514 PolarHBondContact O-N 3.37Å; E511-R514 WeakPolarHBondContact O-CB 3.28Å; E511-R514 PolarHBondContact O-N 2.95Å; E511-R514 IonicContact OE1-CZ 3.5Å; E511-R514 VanDerWaalsContact OE1-CZ 3.31Å; E511-R514 IonicContact OE1-NE 2.76Å; E511-R514 PolarHBondContact OE1-NE 3.14Å; E511-R514 IonicContact OE1-NH2 2.59Å; E511-R514 PolarHBondContact OE1-NH2 3.3Å; E511-R514 IonicContact OE2-CZ 2.61Å; E511-R514 IonicContact OE2-NE 3.31Å; E511-R514 PolarHBondContact OE2-NE 3.31Å; E511-R514 IonicContact OE2-NH2 3.42Å; E511-R514 PolarHBondContact OE2-NH2 2.89Å; A512-R514 PolarHBondContact O-N 3.04Å; R514-F516 VanDerWaalsContact C-N 3.27Å; R514-F516 PolarHBondContact O-N 3.09Å; R514-L517 PolarHBondContact O-N 3.3Å; R514-N518 VanDerWaalsContact O-CB 3.23Å; R514-N518 WeakPolarHBondContact O-CB 3.39Å; R514-N518 PolarHBondContact O-N 2.96Å; R514-P572 HydrophobicContact CB-CG 4.03Å; R514-P572 HydrophobicContact CG-CG 4.24Å; R514-V575 HydrophobicContact CG-CG2 3.79Å |
| 515 | C | 87.5 | Confident | 75.6 | Confident | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 179.2 | -82.4 | 0 | 0 | 0 | 0 | 112.8 | E511 A512 V513 R533 | E511-C515 WeakPolarHBondContact O-CB 3.07Å; E511-C515 PolarHBondContact O-N 3.35Å; E511-C515 PolarHBondContact O-SG 3.29Å; E511-C515 PolarHBondContact OE1-SG 2.89Å; E511-C515 VanDerWaalsContact OE1-SG 3.38Å; A512-C515 PolarHBondContact O-N 3.28Å; V513-C515 PolarHBondContact O-N 3.12Å; C515-R533 WeakPolarHBondContact O-CD 3.42Å; C515-R533 PolarHBondContact O-NH1 3.5Å |
| 516 | F | 88.6 | Confident | 72.7 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.3 | -47 | 174.3 | 179 | -114.7 | 0 | 0 | 0 | 112.6 | F479 F483 F506 A512 V513 R514 Y536 L537 L540 | F479-F516 HydrophobicContact CE1-CB 4.02Å; F479-F516 AromaticContact CE1-CD2 3.92Å; F479-F516 HydrophobicContact CE1-CD2 3.92Å; F479-F516 HydrophobicContact CE1-CG 4.47Å; F479-F516 HydrophobicContact CZ-CB 3.75Å; F479-F516 AromaticContact CZ-CD2 3.52Å; F479-F516 HydrophobicContact CZ-CD2 3.52Å; F479-F516 HydrophobicContact CZ-CE2 4.48Å; F479-F516 HydrophobicContact CZ-CG 4.01Å; F483-F516 AromaticContact CD2-CE2 3.75Å; F483-F516 HydrophobicContact CD2-CE2 3.75Å; F483-F516 HydrophobicContact CD2-CZ 4.41Å; F483-F516 AromaticContact CE2-CE2 3.72Å; F483-F516 HydrophobicContact CE2-CE2 3.72Å; F483-F516 AromaticContact CE2-CZ 4Å; F483-F516 HydrophobicContact CE2-CZ 4Å; F483-F516 HydrophobicContact CG-CE2 4.38Å; F483-F516 HydrophobicContact CZ-CE2 4.37Å; F506-F516 HydrophobicContact CE1-CB 4.27Å; F506-F516 HydrophobicContact CE2-CB 4.18Å; F506-F516 AromaticContact CE2-CD1 3.82Å; F506-F516 HydrophobicContact CE2-CD1 3.82Å; F506-F516 HydrophobicContact CE2-CD2 4.48Å; F506-F516 HydrophobicContact CE2-CE1 4.31Å; F506-F516 AromaticContact CE2-CG 3.91Å; F506-F516 HydrophobicContact CE2-CG 3.91Å; F506-F516 HydrophobicContact CZ-CB 3.55Å; F506-F516 AromaticContact CZ-CD1 3.97Å; F506-F516 HydrophobicContact CZ-CD1 3.97Å; F506-F516 AromaticContact CZ-CD2 3.95Å; F506-F516 HydrophobicContact CZ-CD2 3.95Å; F506-F516 AromaticContact CZ-CG 3.55Å; F506-F516 HydrophobicContact CZ-CG 3.55Å; A512-F516 WeakPolarHBondContact O-CB 3.46Å; A512-F516 PolarHBondContact O-N 3.02Å; V513-F516 PolarHBondContact O-N 3.17Å; R514-F516 VanDerWaalsContact C-N 3.27Å; R514-F516 PolarHBondContact O-N 3.09Å; F516-Y536 HydrophobicContact CD2-CD2 4.22Å; F516-Y536 VanDerWaalsContact CE2-CB 3.45Å; F516-Y536 AromaticContact CE2-CD2 3.92Å; F516-Y536 HydrophobicContact CE2-CD2 3.92Å; F516-Y536 HydrophobicContact CE2-CG 4.17Å; F516-L537 HydrophobicContact CE1-CB 4.19Å; F516-L537 HydrophobicContact CE1-CD1 4.21Å; F516-L540 HydrophobicContact CE1-CD1 4.15Å; F516-L540 HydrophobicContact CE2-CD1 4.49Å; F516-L540 HydrophobicContact CZ-CD1 3.57Å; F516-L540 HydrophobicContact CZ-CG 4.49Å |
| 517 | L | 86.7 | Confident | 69.6 | Low | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.4 | -23.4 | -176.7 | -64.7 | 176.5 | 0 | 0 | 0 | 113.6 | V513 R514 P519 L537 N571 V575 F578 L583 | V513-L517 HydrophobicContact CG1-CD1 3.73Å; V513-L517 HydrophobicContact CG1-CG 4.25Å; V513-L517 WeakPolarHBondContact O-CB 3.44Å; V513-L517 VanDerWaalsContact O-CG 3.28Å; V513-L517 WeakPolarHBondContact O-CG 3.24Å; V513-L517 PolarHBondContact O-N 2.67Å; R514-L517 PolarHBondContact O-N 3.3Å; L517-P519 VanDerWaalsContact O-CD 3.26Å; L517-P519 WeakPolarHBondContact O-CD 3.4Å; L517-L537 HydrophobicContact CD2-CB 4.42Å; L517-L537 HydrophobicContact CD2-CD1 4.46Å; L517-L537 HydrophobicContact CD2-CD2 3.83Å; L517-L537 HydrophobicContact CD2-CG 4.47Å; L517-N571 WeakPolarHBondContact CD1-ND2 3.41Å; L517-V575 HydrophobicContact CB-CB 4.47Å; L517-V575 HydrophobicContact CB-CG1 4.1Å; L517-V575 HydrophobicContact CB-CG2 4.32Å; L517-F578 HydrophobicContact CB-CB 4.47Å; L517-F578 HydrophobicContact CD1-CB 4.34Å; L517-L583 HydrophobicContact CD1-CD1 4.07Å; L517-L583 HydrophobicContact CD2-CD1 4.41Å |
| 518 | N | 80.8 | Confident | 66.9 | Low | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | trans | -71.4 | 117.9 | -172.7 | -169.2 | 5.6 | 0 | 0 | 0 | 112.3 | R514 S520 | R514-N518 VanDerWaalsContact O-CB 3.23Å; R514-N518 WeakPolarHBondContact O-CB 3.39Å; R514-N518 PolarHBondContact O-N 2.96Å; N518-S520 VanDerWaalsContact C-N 3.25Å; N518-S520 PolarHBondContact O-N 3.07Å | ||
| 519 | P | 60.4 | Low | 64.4 | Low | 46 Ų | 46 | 75 Ų | 75 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -68.2 | -11.5 | -175.3 | 22.4 | -31.8 | 0 | 0 | 0 | 115.9 | L517 | L517-P519 VanDerWaalsContact O-CD 3.26Å; L517-P519 WeakPolarHBondContact O-CD 3.4Å |
| 520 | S | 55.8 | Low | 61.9 | Low | 69 Ų | 69 | 79.5 Ų | 79.5 | 48% | 0.483 | 45% | 0.45 | S | S | . | . | trans | -154.7 | 111.7 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | N518 | N518-S520 VanDerWaalsContact C-N 3.25Å; N518-S520 PolarHBondContact O-N 3.07Å | ||
| 521 | S | 44.5 | Very low | 60 | Low | 72 Ų | 72 | 79.6 Ų | 79.6 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | trans | -99.1 | 74 | 164.1 | 63.5 | 0 | 0 | 0 | 0 | 109.5 | R533 | S521-R533 PolarHBondContact OG-NH2 3.31Š| ||
| 522 | S | 36.9 | Very low | 58.3 | Low | 78 Ų | 78 | 81.1 Ų | 81.1 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | trans | -137.5 | 73 | 173.4 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | G524 | S522-G524 VanDerWaalsContact C-N 3.32Å; S522-G524 PolarHBondContact O-N 3.27Å | ||
| 523 | T | 34.8 | Very low | 56.8 | Low | 157 Ų | 157 | 82.3 Ų | 82.3 | 96% | 0.963 | 46% | 0.462 | S | S | * | . | trans | -75.5 | 90.3 | 156.5 | 42.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 524 | G | 34.5 | Very low | 55.3 | Low | 57 Ų | 57 | 83.4 Ų | 83.4 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 133.7 | 107.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | S522 D526 | S522-G524 VanDerWaalsContact C-N 3.32Å; S522-G524 PolarHBondContact O-N 3.27Å; G524-D526 PolarHBondContact O-N 3.27Å |
| 525 | N | 34.4 | Very low | 54.6 | Low | 175 Ų | 175 | 82.2 Ų | 82.2 | 94% | 0.936 | 47% | 0.473 | S | S | * | . | trans | 8.7 | 3.9 | 158.9 | -74 | -8.2 | 0 | 0 | 0 | 125.1 | ||||
| 526 | D | 36.6 | Very low | 54.4 | Low | 135 Ų | 135 | 81.9 Ų | 81.9 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | trans | -93.9 | 121.9 | 177 | -105.1 | -28.4 | 0 | 0 | 0 | 112.3 | G524 T528 | G524-D526 PolarHBondContact O-N 3.27Å; D526-T528 PolarHBondContact O-N 3.1Å | ||
| 527 | R | 31.9 | Very low | 54.3 | Low | 251 Ų | 251 | 82 Ų | 82 | 95% | 0.947 | 47% | 0.469 | S | S | * | . | trans | -76.5 | 29.4 | -173.6 | -71.6 | -178.8 | 169.7 | 177 | -2.8 | 114.3 | E529 | R527-E529 PolarHBondContact O-N 3.1Š| ||
| 528 | T | 39.9 | Very low | 54.2 | Low | 98 Ų | 98 | 86 Ų | 86 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -88.4 | 111 | 177.8 | 30.8 | 0 | 0 | 0 | 0 | 110.3 | D526 | D526-T528 PolarHBondContact O-N 3.1Š|
| 529 | E | 41.3 | Very low | 54.7 | Low | 180 Ų | 180 | 86.8 Ų | 86.8 | 84% | 0.841 | 49% | 0.49 | S | S | * | . | trans | 16.2 | 103.7 | 171.6 | -66.8 | -175.1 | 162.7 | 0 | 0 | 116.6 | R527 V531 | R527-E529 PolarHBondContact O-N 3.1Å; E529-V531 PolarHBondContact O-N 3.01Å | ||
| 530 | S | 44.2 | Very low | 56.2 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 67% | 0.671 | 48% | 0.476 | S | S | * | . | trans | -62.2 | 101.2 | 170.2 | 64.4 | 0 | 0 | 0 | 0 | 109.8 | N532 | S530-N532 PolarHBondContact O-N 3.41Š| ||
| 531 | V | 53.1 | Low | 57.8 | Low | 60 Ų | 60 | 81.4 Ų | 81.4 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | trans | -61.9 | 103.8 | 170.5 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | E529 R533 Y536 | E529-V531 PolarHBondContact O-N 3.01Å; V531-R533 HydrophobicContact CG1-CG 3.95Å; V531-R533 PolarHBondContact O-N 3.31Å; V531-Y536 WeakPolarHBondContact CG1-OH 3.48Å | ||
| 532 | N | 56.9 | Low | 60.1 | Low | 89 Ų | 89 | 81 Ų | 81 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | trans | -78 | 73.5 | -176.9 | -164.1 | 3.3 | 0 | 0 | 0 | 110.1 | S530 S534 S535 | S530-N532 PolarHBondContact O-N 3.41Å; N532-S534 PolarHBondContact O-N 2.82Å; N532-S534 PolarHBondContact OD1-OG 2.87Å; N532-S535 WeakPolarHBondContact O-CB 3.49Å; N532-S535 PolarHBondContact O-N 3.34Å; N532-S535 PolarHBondContact O-OG 3.43Å | ||
| 533 | R | 60.9 | Low | 62.8 | Low | 25 Ų | 25 | 78.1 Ų | 78.1 | 9% | 0.094 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.8 | -177.2 | -59.5 | -174 | -173.4 | 165.2 | 4.6 | 113.4 | C515 S521 V531 S535 Y536 | C515-R533 WeakPolarHBondContact O-CD 3.42Å; C515-R533 PolarHBondContact O-NH1 3.5Å; S521-R533 PolarHBondContact OG-NH2 3.31Å; V531-R533 HydrophobicContact CG1-CG 3.95Å; V531-R533 PolarHBondContact O-N 3.31Å; R533-S535 PolarHBondContact O-N 3.43Å; R533-S535 VanDerWaalsContact O-N 3.13Å; R533-Y536 HydrophobicContact CB-CD2 3.95Å; R533-Y536 HydrophobicContact CB-CE2 3.95Å; R533-Y536 HydrophobicContact CG-CD2 4.25Å; R533-Y536 HydrophobicContact CG-CE2 3.76Å; R533-Y536 WeakPolarHBondContact O-CB 3.38Å; R533-Y536 PolarHBondContact O-N 3.48Å |
| 534 | S | 60.8 | Low | 65.5 | Low | 22 Ų | 22 | 70.7 Ų | 70.7 | 15% | 0.154 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.8 | -29.6 | 171.9 | 73.4 | 0 | 0 | 0 | 0 | 113 | N532 Y536 | N532-S534 PolarHBondContact O-N 2.82Å; N532-S534 PolarHBondContact OD1-OG 2.87Å; S534-Y536 VanDerWaalsContact C-N 3.26Å; S534-Y536 PolarHBondContact O-N 3.14Å |
| 535 | S | 75.9 | Confident | 68.2 | Low | 48 Ų | 48 | 70.8 Ų | 70.8 | 34% | 0.336 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.3 | -23.6 | 175.6 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | N532 R533 W538 T539 | N532-S535 WeakPolarHBondContact O-CB 3.49Å; N532-S535 PolarHBondContact O-N 3.34Å; N532-S535 PolarHBondContact O-OG 3.43Å; R533-S535 PolarHBondContact O-N 3.43Å; R533-S535 VanDerWaalsContact O-N 3.13Å; S535-W538 PolarHBondContact O-N 3.03Å; S535-T539 WeakPolarHBondContact O-CB 3.3Å; S535-T539 PolarHBondContact O-N 3.03Å; S535-T539 PolarHBondContact O-OG1 3.04Å |
| 536 | Y | 83.8 | Confident | 70.9 | Confident | 17 Ų | 17 | 64 Ų | 64 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.7 | -47.4 | -176.9 | -63.2 | -12.5 | 0 | 0 | 0 | 111.8 | H480 F483 M484 F516 V531 R533 S534 W538 T539 L540 | H480-Y536 AromaticContact CE1-CZ 3.72Å; H480-Y536 PolarHBondContact CE1-OH 3.04Å; H480-Y536 AromaticContact ND1-CE2 3.75Å; H480-Y536 AromaticContact ND1-CZ 3.61Å; H480-Y536 PolarHBondContact ND1-OH 3Å; F483-Y536 AromaticContact CD1-CD1 3.87Å; F483-Y536 HydrophobicContact CD1-CD1 3.87Å; F483-Y536 AromaticContact CD1-CD2 3.75Å; F483-Y536 HydrophobicContact CD1-CD2 3.75Å; F483-Y536 HydrophobicContact CD1-CE1 4.14Å; F483-Y536 HydrophobicContact CD1-CE2 4.02Å; F483-Y536 AromaticContact CD1-CG 3.69Å; F483-Y536 HydrophobicContact CD1-CG 3.69Å; F483-Y536 AromaticContact CE1-CD1 3.26Å; F483-Y536 HydrophobicContact CE1-CD1 3.26Å; F483-Y536 AromaticContact CE1-CD2 3.84Å; F483-Y536 HydrophobicContact CE1-CD2 3.84Å; F483-Y536 AromaticContact CE1-CE1 3.9Å; F483-Y536 HydrophobicContact CE1-CE1 3.9Å; F483-Y536 HydrophobicContact CE1-CE2 4.38Å; F483-Y536 AromaticContact CE1-CG 3.25Å; F483-Y536 HydrophobicContact CE1-CG 3.25Å; F483-Y536 HydrophobicContact CE2-CG 4.44Å; F483-Y536 HydrophobicContact CG-CD2 4.3Å; F483-Y536 HydrophobicContact CG-CG 4.47Å; F483-Y536 HydrophobicContact CZ-CD1 4.01Å; F483-Y536 HydrophobicContact CZ-CD2 4.41Å; F483-Y536 AromaticContact CZ-CG 3.7Å; F483-Y536 HydrophobicContact CZ-CG 3.7Å; M484-Y536 HydrophobicContact SD-CE1 4.02Å; F516-Y536 HydrophobicContact CD2-CD2 4.22Å; F516-Y536 VanDerWaalsContact CE2-CB 3.45Å; F516-Y536 AromaticContact CE2-CD2 3.92Å; F516-Y536 HydrophobicContact CE2-CD2 3.92Å; F516-Y536 HydrophobicContact CE2-CG 4.17Å; V531-Y536 WeakPolarHBondContact CG1-OH 3.48Å; R533-Y536 HydrophobicContact CB-CD2 3.95Å; R533-Y536 HydrophobicContact CB-CE2 3.95Å; R533-Y536 HydrophobicContact CG-CD2 4.25Å; R533-Y536 HydrophobicContact CG-CE2 3.76Å; R533-Y536 WeakPolarHBondContact O-CB 3.38Å; R533-Y536 PolarHBondContact O-N 3.48Å; S534-Y536 VanDerWaalsContact C-N 3.26Å; S534-Y536 PolarHBondContact O-N 3.14Å; Y536-W538 VanDerWaalsContact C-N 3.29Å; Y536-W538 PolarHBondContact O-N 3.12Å; Y536-T539 WeakPolarHBondContact O-CB 3.33Å; Y536-T539 PolarHBondContact O-N 3.36Å; Y536-T539 VanDerWaalsContact O-N 3.17Å; Y536-L540 WeakPolarHBondContact O-CG 3.44Å; Y536-L540 PolarHBondContact O-N 3.3Å |
| 537 | L | 85.7 | Confident | 73.3 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.9 | -178.8 | 69.3 | 0 | 0 | 0 | 111.1 | F516 L517 T539 L540 I541 V564 C567 F578 L583 | F516-L537 HydrophobicContact CE1-CB 4.19Å; F516-L537 HydrophobicContact CE1-CD1 4.21Å; L517-L537 HydrophobicContact CD2-CB 4.42Å; L517-L537 HydrophobicContact CD2-CD1 4.46Å; L517-L537 HydrophobicContact CD2-CD2 3.83Å; L517-L537 HydrophobicContact CD2-CG 4.47Å; L537-T539 VanDerWaalsContact C-N 3.31Å; L537-T539 PolarHBondContact O-N 2.96Å; L537-L540 PolarHBondContact O-N 3.46Å; L537-I541 HydrophobicContact CD1-CD1 4.37Å; L537-I541 HydrophobicContact CD2-CD1 4.43Å; L537-I541 HydrophobicContact CG-CD1 3.94Å; L537-I541 VanDerWaalsContact O-CG1 3.28Å; L537-I541 WeakPolarHBondContact O-CG1 3.07Å; L537-I541 PolarHBondContact O-N 2.91Å; L537-V564 HydrophobicContact CD1-CG1 4.21Å; L537-V564 HydrophobicContact CD1-CG2 4.41Å; L537-C567 HydrophobicContact CD1-CB 4.48Å; L537-F578 HydrophobicContact CD2-CD1 3.95Å; L537-F578 HydrophobicContact CD2-CE1 3.88Å; L537-L583 HydrophobicContact CD2-CD2 3.35Å |
| 538 | W | 86.4 | Confident | 75.9 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 178.5 | -63.7 | 118.4 | 0 | 0 | 0 | 113 | S535 Y536 I541 A542 F578 A586 R590 | S535-W538 PolarHBondContact O-N 3.03Å; Y536-W538 VanDerWaalsContact C-N 3.29Å; Y536-W538 PolarHBondContact O-N 3.12Å; W538-I541 HydrophobicContact CE3-CD1 3.74Å; W538-I541 HydrophobicContact CZ3-CD1 3.85Å; W538-A542 WeakPolarHBondContact O-CB 3.36Å; W538-A542 PolarHBondContact O-N 3.4Å; W538-F578 HydrophobicContact CZ2-CE1 4.35Å; W538-A586 HydrophobicContact CH2-CB 4.08Å; W538-A586 HydrophobicContact CZ3-CB 4.25Å; W538-R590 VanDerWaalsContact CE3-NH1 3.28Å |
| 539 | T | 89.3 | Confident | 77.9 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 36% | 0.362 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 173.8 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | Q487 S535 Y536 L537 I541 A542 E543 | Q487-T539 VanDerWaalsContact OE1-CG2 3.31Å; S535-T539 WeakPolarHBondContact O-CB 3.3Å; S535-T539 PolarHBondContact O-N 3.03Å; S535-T539 PolarHBondContact O-OG1 3.04Å; Y536-T539 WeakPolarHBondContact O-CB 3.33Å; Y536-T539 PolarHBondContact O-N 3.36Å; Y536-T539 VanDerWaalsContact O-N 3.17Å; L537-T539 VanDerWaalsContact C-N 3.31Å; L537-T539 PolarHBondContact O-N 2.96Å; T539-I541 PolarHBondContact O-N 3.28Å; T539-A542 WeakPolarHBondContact O-CB 3.4Å; T539-A542 PolarHBondContact O-N 3.38Å; T539-A542 VanDerWaalsContact O-N 3.16Å; T539-E543 PolarHBondContact O-N 2.71Å |
| 540 | L | 92.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.8 | -68.8 | 179.2 | 0 | 0 | 0 | 112.3 | F483 F516 Y536 L537 A542 E543 A544 T560 L563 V564 | F483-L540 HydrophobicContact CE2-CD1 3.85Å; F483-L540 HydrophobicContact CE2-CD2 3.74Å; F483-L540 HydrophobicContact CE2-CG 3.68Å; F483-L540 HydrophobicContact CZ-CD2 4.31Å; F483-L540 HydrophobicContact CZ-CG 4.14Å; F516-L540 HydrophobicContact CE1-CD1 4.15Å; F516-L540 HydrophobicContact CE2-CD1 4.49Å; F516-L540 HydrophobicContact CZ-CD1 3.57Å; F516-L540 HydrophobicContact CZ-CG 4.49Å; Y536-L540 WeakPolarHBondContact O-CG 3.44Å; Y536-L540 PolarHBondContact O-N 3.3Å; L537-L540 PolarHBondContact O-N 3.46Å; L540-A542 VanDerWaalsContact C-N 3.31Å; L540-A542 PolarHBondContact O-N 2.71Å; L540-E543 PolarHBondContact O-N 3.44Å; L540-A544 WeakPolarHBondContact O-CB 3.48Å; L540-A544 PolarHBondContact O-N 3.06Å; L540-T560 HydrophobicContact CB-CG2 3.98Å; L540-T560 HydrophobicContact CD2-CG2 3.74Å; L540-T560 HydrophobicContact CG-CG2 4.45Å; L540-T560 VanDerWaalsContact O-CG2 3.24Å; L540-T560 WeakPolarHBondContact O-CG2 3.22Å; L540-L563 HydrophobicContact CD1-CD2 3.79Å; L540-L563 HydrophobicContact CD1-CG 4.2Å; L540-L563 HydrophobicContact CD2-CD2 4.35Å; L540-V564 HydrophobicContact CB-CG2 3.47Å; L540-V564 VanDerWaalsContact CB-CG2 3.47Å; L540-V564 HydrophobicContact CD1-CG2 4.07Å; L540-V564 HydrophobicContact CG-CG2 4.43Å |
| 541 | I | 90.8 | Very high | 82.6 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.1 | -69.7 | 165.7 | 0 | 0 | 0 | 110.3 | L537 W538 T539 A544 C545 V564 L587 R590 I591 | L537-I541 HydrophobicContact CD1-CD1 4.37Å; L537-I541 HydrophobicContact CD2-CD1 4.43Å; L537-I541 HydrophobicContact CG-CD1 3.94Å; L537-I541 VanDerWaalsContact O-CG1 3.28Å; L537-I541 WeakPolarHBondContact O-CG1 3.07Å; L537-I541 PolarHBondContact O-N 2.91Å; W538-I541 HydrophobicContact CE3-CD1 3.74Å; W538-I541 HydrophobicContact CZ3-CD1 3.85Å; T539-I541 PolarHBondContact O-N 3.28Å; I541-A544 PolarHBondContact O-N 3.26Å; I541-C545 WeakPolarHBondContact O-CB 3.44Å; I541-C545 PolarHBondContact O-N 3.14Å; I541-C545 PolarHBondContact O-SG 3.35Å; I541-V564 HydrophobicContact CG1-CG1 3.84Å; I541-V564 HydrophobicContact CG1-CG2 4.38Å; I541-L587 HydrophobicContact CD1-CD2 3.71Å; I541-L587 HydrophobicContact CG1-CD2 3.73Å; I541-R590 HydrophobicContact CG2-CB 3.99Å; I541-I591 HydrophobicContact CG2-CD1 4.44Å; I541-I591 HydrophobicContact CG2-CG1 4.26Å |
| 542 | A | 91.9 | Very high | 84.5 | Confident | 62 Ų | 62 | 54 Ų | 54 | 51% | 0.512 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W538 T539 L540 C545 A546 | W538-A542 WeakPolarHBondContact O-CB 3.36Å; W538-A542 PolarHBondContact O-N 3.4Å; T539-A542 WeakPolarHBondContact O-CB 3.4Å; T539-A542 PolarHBondContact O-N 3.38Å; T539-A542 VanDerWaalsContact O-N 3.16Å; L540-A542 VanDerWaalsContact C-N 3.31Å; L540-A542 PolarHBondContact O-N 2.71Å; A542-C545 CarbonylContact O-C 3.56Å; A542-C545 PolarHBondContact O-N 3.45Å; A542-A546 PolarHBondContact O-N 2.96Å; A542-A546 VanDerWaalsContact O-N 3.16Å |
| 543 | E | 92.8 | Very high | 86.2 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.8 | -177.8 | -176.3 | 176.4 | 0 | 0 | 111.8 | Q486 Q487 R495 T539 L540 C545 A546 V556 H557 T560 | Q486-E543 PolarHBondContact NE2-OE1 3.01Å; Q487-E543 PolarHBondContact NE2-OE2 2.94Å; R495-E543 IonicContact CZ-OE1 3.7Å; R495-E543 IonicContact NH2-OE1 2.89Å; R495-E543 PolarHBondContact NH2-OE1 3.37Å; T539-E543 PolarHBondContact O-N 2.71Å; L540-E543 PolarHBondContact O-N 3.44Å; E543-C545 PolarHBondContact O-N 3.43Å; E543-A546 VanDerWaalsContact O-CB 3.26Å; E543-A546 WeakPolarHBondContact O-CB 3.35Å; E543-A546 PolarHBondContact O-N 2.93Å; E543-V556 WeakPolarHBondContact OE1-CG1 3.26Å; E543-H557 PolarHBondContact O-CD2 2.82Å; E543-T560 HydrophobicContact CB-CG2 4.06Å; E543-T560 HydrophobicContact CG-CG2 4.08Å; E543-T560 PolarHBondContact OE1-OG1 3.39Å |
| 544 | A | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -32.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L540 I541 T560 T561 I591 | L540-A544 WeakPolarHBondContact O-CB 3.48Å; L540-A544 PolarHBondContact O-N 3.06Å; I541-A544 PolarHBondContact O-N 3.26Å; A544-T560 HydrophobicContact CB-CG2 4.27Å; A544-T561 WeakPolarHBondContact CB-OG1 3.33Å; A544-I591 HydrophobicContact CB-CD1 4.02Å |
| 545 | C | 91.4 | Very high | 89.5 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.6 | 175.6 | -69.4 | 0 | 0 | 0 | 0 | 114.1 | I541 A542 E543 R590 I591 | I541-C545 WeakPolarHBondContact O-CB 3.44Å; I541-C545 PolarHBondContact O-N 3.14Å; I541-C545 PolarHBondContact O-SG 3.35Å; A542-C545 CarbonylContact O-C 3.56Å; A542-C545 PolarHBondContact O-N 3.45Å; E543-C545 PolarHBondContact O-N 3.43Å; C545-R590 PolarHBondContact SG-O 3.12Å; C545-I591 VanDerWaalsContact SG-CG1 3.59Å |
| 546 | A | 91.6 | Very high | 90.4 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.5 | 155 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A542 E543 R599 | A542-A546 PolarHBondContact O-N 2.96Å; A542-A546 VanDerWaalsContact O-N 3.16Å; E543-A546 VanDerWaalsContact O-CB 3.26Å; E543-A546 WeakPolarHBondContact O-CB 3.35Å; E543-A546 PolarHBondContact O-N 2.93Å; A546-R599 PolarHBondContact O-NH2 3.28Å |
| 547 | V | 87.1 | Confident | 91 | Very high | 114 Ų | 114 | 49 Ų | 49 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 134.4 | 174.4 | -179 | 0 | 0 | 0 | 0 | 108 | ||
| 548 | D | 85.6 | Confident | 91.5 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 123.3 | 174.3 | -35.3 | -59.1 | 0 | 0 | 0 | 109 | A554 H557 R599 | D548-A554 HydrophobicContact CB-CB 3.95Å; D548-A554 WeakPolarHBondContact OD1-CA 3.5Å; D548-H557 IonicContact OD1-CE1 2.84Å; D548-H557 IonicContact OD1-CG 2.75Å; D548-H557 IonicContact OD1-ND1 3.7Å; D548-H557 PolarHBondContact OD1-ND1 3.46Å; D548-R599 VanDerWaalsContact CG-NH2 3.29Å; D548-R599 IonicContact OD1-CZ 3.49Å; D548-R599 IonicContact OD1-NH1 2.68Å; D548-R599 PolarHBondContact OD1-NH1 2.89Å; D548-R599 IonicContact OD1-NH2 3.09Å; D548-R599 PolarHBondContact OD1-NH2 3.05Å; D548-R599 IonicContact OD2-CZ 2.69Å; D548-R599 VanDerWaalsContact OD2-CZ 3.28Å; D548-R599 IonicContact OD2-NH1 2.88Å; D548-R599 PolarHBondContact OD2-NH1 3.06Å; D548-R599 IonicContact OD2-NH2 3.57Å; D548-R599 PolarHBondContact OD2-NH2 3.08Å |
| 549 | N | 83.1 | Confident | 92 | Very high | 130 Ų | 130 | 44.7 Ų | 44.7 | 70% | 0.695 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -88.6 | -24.4 | 172.4 | -54.6 | -64.2 | 0 | 0 | 0 | 111.4 | E553 | N549-E553 WeakPolarHBondContact CB-OE2 3.35Å; N549-E553 PolarHBondContact N-OE2 3.15Å; N549-E553 PolarHBondContact ND2-OE2 3.34Å |
| 550 | D | 91.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 41.9 Ų | 41.9 | 43% | 0.428 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -149.3 | 175 | 177.6 | 67 | 36.4 | 0 | 0 | 0 | 112.3 | N552 E553 A554 | D550-N552 VanDerWaalsContact C-N 3.28Å; D550-N552 PolarHBondContact O-N 2.98Å; D550-N552 WeakPolarHBondContact OD1-CA 3.5Å; D550-N552 VanDerWaalsContact OD1-CB 3.32Å; D550-N552 WeakPolarHBondContact OD1-CB 3.45Å; D550-N552 PolarHBondContact OD1-N 3.32Å; D550-E553 PolarHBondContact O-N 3.22Å; D550-E553 PolarHBondContact OD1-N 3.47Å; D550-A554 PolarHBondContact O-N 3.44Å; D550-A554 VanDerWaalsContact O-N 3.12Å |
| 551 | E | 91.1 | Very high | 92.5 | Very high | 168 Ų | 168 | 42 Ų | 42 | 79% | 0.785 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.4 | -30.9 | 179.8 | -64.4 | -175.8 | 171.9 | 0 | 0 | 112.9 | A554 L555 | E551-A554 PolarHBondContact O-N 2.97Å; E551-L555 WeakPolarHBondContact O-CG 3.44Å; E551-L555 PolarHBondContact O-N 3.06Å; E551-L555 VanDerWaalsContact O-N 3.11Å |
| 552 | N | 92.8 | Very high | 92.8 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.5 | -44.1 | -179.5 | -72.7 | -27.1 | 0 | 0 | 0 | 110.9 | F492 D550 A554 L555 V556 | F492-N552 HydrophobicContact CD1-CB 4.23Å; F492-N552 HydrophobicContact CD2-CB 3.57Å; F492-N552 HydrophobicContact CE1-CB 4.3Å; F492-N552 WeakPolarHBondContact CE1-OD1 3.3Å; F492-N552 HydrophobicContact CE2-CB 3.65Å; F492-N552 WeakPolarHBondContact CE2-O 3.41Å; F492-N552 HydrophobicContact CG-CB 3.87Å; F492-N552 HydrophobicContact CZ-CB 4.02Å; F492-N552 WeakPolarHBondContact CZ-OD1 3.44Å; D550-N552 VanDerWaalsContact C-N 3.28Å; D550-N552 PolarHBondContact O-N 2.98Å; D550-N552 WeakPolarHBondContact OD1-CA 3.5Å; D550-N552 VanDerWaalsContact OD1-CB 3.32Å; D550-N552 WeakPolarHBondContact OD1-CB 3.45Å; D550-N552 PolarHBondContact OD1-N 3.32Å; N552-A554 VanDerWaalsContact C-N 3.33Å; N552-L555 PolarHBondContact O-N 3.1Å; N552-V556 WeakPolarHBondContact O-CG2 3.23Å; N552-V556 PolarHBondContact O-N 3.41Å; N552-V556 VanDerWaalsContact O-N 3.11Å |
| 553 | E | 92.9 | Very high | 93 | Very high | 57 Ų | 57 | 39 Ų | 39 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 173 | -71.9 | -173.1 | 162.7 | 0 | 0 | 111.2 | N549 D550 L555 V556 H557 | N549-E553 WeakPolarHBondContact CB-OE2 3.35Å; N549-E553 PolarHBondContact N-OE2 3.15Å; N549-E553 PolarHBondContact ND2-OE2 3.34Å; D550-E553 PolarHBondContact O-N 3.22Å; D550-E553 PolarHBondContact OD1-N 3.47Å; E553-L555 VanDerWaalsContact C-N 3.3Å; E553-L555 PolarHBondContact O-N 3.18Å; E553-V556 WeakPolarHBondContact O-CB 3.28Å; E553-V556 PolarHBondContact O-N 3.27Å; E553-V556 VanDerWaalsContact O-N 3.14Å; E553-H557 PolarHBondContact O-N 2.89Å; E553-H557 PolarHBondContact O-ND1 2.99Å |
| 554 | A | 94.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.8 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D548 D550 E551 N552 H557 G558 | D548-A554 HydrophobicContact CB-CB 3.95Å; D548-A554 WeakPolarHBondContact OD1-CA 3.5Å; D550-A554 PolarHBondContact O-N 3.44Å; D550-A554 VanDerWaalsContact O-N 3.12Å; E551-A554 PolarHBondContact O-N 2.97Å; N552-A554 VanDerWaalsContact C-N 3.33Å; A554-H557 PolarHBondContact O-N 3.46Å; A554-G558 PolarHBondContact O-N 2.89Å |
| 555 | L | 96.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.8 | -69.2 | 178.2 | 0 | 0 | 0 | 112.7 | F492 M496 E551 N552 E553 G558 L559 I603 A606 I627 F628 | F492-L555 HydrophobicContact CE2-CB 4.26Å; F492-L555 HydrophobicContact CZ-CD1 4.04Å; M496-L555 HydrophobicContact CE-CB 3.98Å; M496-L555 HydrophobicContact SD-CB 4.17Å; E551-L555 WeakPolarHBondContact O-CG 3.44Å; E551-L555 PolarHBondContact O-N 3.06Å; E551-L555 VanDerWaalsContact O-N 3.11Å; N552-L555 PolarHBondContact O-N 3.1Å; E553-L555 VanDerWaalsContact C-N 3.3Å; E553-L555 PolarHBondContact O-N 3.18Å; L555-G558 PolarHBondContact O-N 3.16Å; L555-L559 PolarHBondContact O-N 3.48Å; L555-I603 HydrophobicContact CD2-CG1 4.07Å; L555-A606 HydrophobicContact CD2-CB 3.77Å; L555-I627 HydrophobicContact CD1-CG2 4.44Å; L555-F628 HydrophobicContact CD1-CE2 4.25Å; L555-F628 HydrophobicContact CD2-CE2 4.24Å; L555-F628 HydrophobicContact CD2-CZ 4.17Å |
| 556 | V | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | F492 R495 M496 L499 E543 N552 E553 G558 L559 T560 | F492-V556 HydrophobicContact CD2-CG2 3.73Å; F492-V556 HydrophobicContact CE2-CG2 3.94Å; R495-V556 HydrophobicContact CB-CG2 4.41Å; M496-V556 HydrophobicContact CG-CG2 4.46Å; M496-V556 HydrophobicContact SD-CG2 3.84Å; L499-V556 HydrophobicContact CD1-CG1 3.96Å; E543-V556 WeakPolarHBondContact OE1-CG1 3.26Å; N552-V556 WeakPolarHBondContact O-CG2 3.23Å; N552-V556 PolarHBondContact O-N 3.41Å; N552-V556 VanDerWaalsContact O-N 3.11Å; E553-V556 WeakPolarHBondContact O-CB 3.28Å; E553-V556 PolarHBondContact O-N 3.27Å; E553-V556 VanDerWaalsContact O-N 3.14Å; V556-G558 VanDerWaalsContact C-N 3.3Å; V556-G558 PolarHBondContact O-N 3.29Å; V556-L559 PolarHBondContact O-N 3.47Å; V556-T560 WeakPolarHBondContact O-CB 3.45Å; V556-T560 PolarHBondContact O-N 2.99Å; V556-T560 PolarHBondContact O-OG1 3.44Å; V556-T560 VanDerWaalsContact O-OG1 3.14Å |
| 557 | H | 95.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 177.7 | -61.3 | 156.4 | 0 | 0 | 0 | 111.7 | E543 D548 E553 A554 T560 T561 | E543-H557 PolarHBondContact O-CD2 2.82Å; D548-H557 IonicContact OD1-CE1 2.84Å; D548-H557 IonicContact OD1-CG 2.75Å; D548-H557 IonicContact OD1-ND1 3.7Å; D548-H557 PolarHBondContact OD1-ND1 3.46Å; E553-H557 PolarHBondContact O-N 2.89Å; E553-H557 PolarHBondContact O-ND1 2.99Å; A554-H557 PolarHBondContact O-N 3.46Å; H557-T560 PolarHBondContact O-N 3.25Å; H557-T561 WeakPolarHBondContact O-CB 3.12Å; H557-T561 PolarHBondContact O-N 3.12Å; H557-T561 PolarHBondContact O-OG1 2.8Å |
| 558 | G | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A554 L555 V556 T561 L562 | A554-G558 PolarHBondContact O-N 2.89Å; L555-G558 PolarHBondContact O-N 3.16Å; V556-G558 VanDerWaalsContact C-N 3.3Å; V556-G558 PolarHBondContact O-N 3.29Å; G558-T561 WeakPolarHBondContact O-CB 3.24Å; G558-T561 PolarHBondContact O-N 2.89Å; G558-L562 PolarHBondContact O-N 3.03Å |
| 559 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.6 | -35 | 179.5 | -77.5 | -173.1 | 0 | 0 | 0 | 112 | M496 L499 Q500 L555 V556 T561 L562 L563 I603 F628 F632 F636 | M496-L559 HydrophobicContact CE-CD1 3.41Å; M496-L559 VanDerWaalsContact CE-CD1 3.41Å; M496-L559 HydrophobicContact CE-CG 4.24Å; M496-L559 HydrophobicContact SD-CD1 3.82Å; L499-L559 HydrophobicContact CB-CB 4.03Å; L499-L559 HydrophobicContact CB-CD1 3.92Å; L499-L559 HydrophobicContact CD1-CB 3.94Å; L499-L559 HydrophobicContact CG-CB 4.46Å; Q500-L559 HydrophobicContact CG-CD1 4.11Å; L555-L559 PolarHBondContact O-N 3.48Å; V556-L559 PolarHBondContact O-N 3.47Å; L559-T561 VanDerWaalsContact C-N 3.34Å; L559-L562 HydrophobicContact CD2-CD2 4.39Å; L559-L562 WeakPolarHBondContact O-CB 3.47Å; L559-L562 PolarHBondContact O-N 3.33Å; L559-L563 WeakPolarHBondContact O-CB 3.28Å; L559-L563 PolarHBondContact O-N 3.33Å; L559-I603 HydrophobicContact CD2-CD1 3.81Å; L559-I603 HydrophobicContact CG-CD1 3.93Å; L559-F628 HydrophobicContact CD1-CE1 4.15Å; L559-F628 HydrophobicContact CD2-CE1 4.42Å; L559-F632 HydrophobicContact CD2-CE1 3.67Å; L559-F632 HydrophobicContact CD2-CZ 3.54Å; L559-F636 HydrophobicContact CD2-CD2 4.32Å; L559-F636 HydrophobicContact CD2-CE2 4.47Å |
| 560 | T | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 171.6 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | L540 E543 A544 V556 H557 L563 V564 | L540-T560 HydrophobicContact CB-CG2 3.98Å; L540-T560 HydrophobicContact CD2-CG2 3.74Å; L540-T560 HydrophobicContact CG-CG2 4.45Å; L540-T560 VanDerWaalsContact O-CG2 3.24Å; L540-T560 WeakPolarHBondContact O-CG2 3.22Å; E543-T560 HydrophobicContact CB-CG2 4.06Å; E543-T560 HydrophobicContact CG-CG2 4.08Å; E543-T560 PolarHBondContact OE1-OG1 3.39Å; A544-T560 HydrophobicContact CB-CG2 4.27Å; V556-T560 WeakPolarHBondContact O-CB 3.45Å; V556-T560 PolarHBondContact O-N 2.99Å; V556-T560 PolarHBondContact O-OG1 3.44Å; V556-T560 VanDerWaalsContact O-OG1 3.14Å; H557-T560 PolarHBondContact O-N 3.25Å; T560-L563 PolarHBondContact O-N 2.95Å; T560-V564 WeakPolarHBondContact O-CG2 3.45Å; T560-V564 PolarHBondContact O-N 3.44Å |
| 561 | T | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 173 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | A544 H557 G558 L559 L563 V564 C565 I596 R599 | A544-T561 WeakPolarHBondContact CB-OG1 3.33Å; H557-T561 WeakPolarHBondContact O-CB 3.12Å; H557-T561 PolarHBondContact O-N 3.12Å; H557-T561 PolarHBondContact O-OG1 2.8Å; G558-T561 WeakPolarHBondContact O-CB 3.24Å; G558-T561 PolarHBondContact O-N 2.89Å; L559-T561 VanDerWaalsContact C-N 3.34Å; T561-L563 PolarHBondContact O-N 2.64Å; T561-V564 PolarHBondContact O-N 2.89Å; T561-C565 PolarHBondContact O-N 2.99Å; T561-C565 PolarHBondContact O-SG 3.17Å; T561-C565 VanDerWaalsContact O-SG 3.37Å; T561-I596 HydrophobicContact CG2-CB 4.24Å; T561-I596 HydrophobicContact CG2-CG1 4.04Å; T561-I596 HydrophobicContact CG2-CG2 4.05Å; T561-R599 HydrophobicContact CG2-CB 4.11Å; T561-R599 HydrophobicContact CG2-CG 4.5Å |
| 562 | L | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 175.2 | -179.5 | 62.6 | 0 | 0 | 0 | 111.8 | G558 L559 V564 C565 I566 L600 F632 F636 L639 V643 | G558-L562 PolarHBondContact O-N 3.03Å; L559-L562 HydrophobicContact CD2-CD2 4.39Å; L559-L562 WeakPolarHBondContact O-CB 3.47Å; L559-L562 PolarHBondContact O-N 3.33Å; L562-V564 VanDerWaalsContact C-N 3.26Å; L562-V564 PolarHBondContact O-N 3.06Å; L562-C565 WeakPolarHBondContact O-CB 3.37Å; L562-C565 PolarHBondContact O-N 2.94Å; L562-C565 VanDerWaalsContact O-N 3.1Å; L562-I566 HydrophobicContact CD1-CD1 4.39Å; L562-I566 HydrophobicContact CD1-CG1 4.31Å; L562-I566 HydrophobicContact CG-CD1 3.95Å; L562-I566 HydrophobicContact CG-CG1 4.33Å; L562-I566 VanDerWaalsContact O-CG1 3.26Å; L562-I566 WeakPolarHBondContact O-CG1 3.25Å; L562-I566 PolarHBondContact O-N 3.39Å; L562-L600 HydrophobicContact CB-CD2 3.73Å; L562-L600 HydrophobicContact CD1-CD2 4Å; L562-L600 HydrophobicContact CG-CD2 4.38Å; L562-F632 HydrophobicContact CD2-CZ 4.33Å; L562-F636 HydrophobicContact CD2-CD2 3.52Å; L562-F636 HydrophobicContact CD2-CE2 3.8Å; L562-L639 HydrophobicContact CD1-CB 3.94Å; L562-L639 HydrophobicContact CD1-CD1 4.47Å; L562-L639 HydrophobicContact CD2-CD1 4.25Å; L562-V643 HydrophobicContact CD1-CG2 4.27Å |
| 563 | L | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.2 | -41.2 | -179.6 | -176.7 | 60.2 | 0 | 0 | 0 | 112 | L499 L502 F506 L540 L559 T560 T561 I566 C567 | L499-L563 HydrophobicContact CD2-CD2 4.21Å; L502-L563 HydrophobicContact CB-CD1 4.05Å; L502-L563 HydrophobicContact CB-CD2 4.11Å; L502-L563 HydrophobicContact CD1-CD2 4.28Å; F506-L563 HydrophobicContact CD2-CD1 3.43Å; F506-L563 VanDerWaalsContact CD2-CD1 3.43Å; F506-L563 HydrophobicContact CD2-CG 4.38Å; F506-L563 HydrophobicContact CE2-CD1 3.76Å; F506-L563 HydrophobicContact CE2-CG 4.39Å; F506-L563 HydrophobicContact CG-CD1 4.1Å; L540-L563 HydrophobicContact CD1-CD2 3.79Å; L540-L563 HydrophobicContact CD1-CG 4.2Å; L540-L563 HydrophobicContact CD2-CD2 4.35Å; L559-L563 WeakPolarHBondContact O-CB 3.28Å; L559-L563 PolarHBondContact O-N 3.33Å; T560-L563 PolarHBondContact O-N 2.95Å; T561-L563 PolarHBondContact O-N 2.64Å; L563-I566 PolarHBondContact O-N 2.89Å; L563-C567 PolarHBondContact O-N 2.96Å; L563-C567 VanDerWaalsContact O-N 3.13Å; L563-C567 PolarHBondContact O-SG 3.44Å |
| 564 | V | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | L537 L540 I541 T560 T561 L562 I566 C567 V568 L587 | L537-V564 HydrophobicContact CD1-CG1 4.21Å; L537-V564 HydrophobicContact CD1-CG2 4.41Å; L540-V564 HydrophobicContact CB-CG2 3.47Å; L540-V564 VanDerWaalsContact CB-CG2 3.47Å; L540-V564 HydrophobicContact CD1-CG2 4.07Å; L540-V564 HydrophobicContact CG-CG2 4.43Å; I541-V564 HydrophobicContact CG1-CG1 3.84Å; I541-V564 HydrophobicContact CG1-CG2 4.38Å; T560-V564 WeakPolarHBondContact O-CG2 3.45Å; T560-V564 PolarHBondContact O-N 3.44Å; T561-V564 PolarHBondContact O-N 2.89Å; L562-V564 VanDerWaalsContact C-N 3.26Å; L562-V564 PolarHBondContact O-N 3.06Å; V564-I566 PolarHBondContact O-N 2.93Å; V564-C567 WeakPolarHBondContact O-CB 3.13Å; V564-C567 PolarHBondContact O-N 3.38Å; V564-V568 PolarHBondContact O-N 3.39Å; V564-L587 HydrophobicContact CG1-CD1 3.73Å; V564-L587 HydrophobicContact CG1-CD2 3.19Å; V564-L587 HydrophobicContact CG1-CG 4.08Å |
| 565 | C | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 173.1 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | T561 L562 C567 V568 M569 V643 F647 | T561-C565 PolarHBondContact O-N 2.99Å; T561-C565 PolarHBondContact O-SG 3.17Å; T561-C565 VanDerWaalsContact O-SG 3.37Å; L562-C565 WeakPolarHBondContact O-CB 3.37Å; L562-C565 PolarHBondContact O-N 2.94Å; L562-C565 VanDerWaalsContact O-N 3.1Å; C565-C567 VanDerWaalsContact C-N 3.26Å; C565-C567 PolarHBondContact O-N 3.24Å; C565-V568 WeakPolarHBondContact O-CB 3.31Å; C565-V568 PolarHBondContact O-N 2.92Å; C565-M569 WeakPolarHBondContact O-CG 3.02Å; C565-M569 PolarHBondContact O-N 3.22Å; C565-V643 HydrophobicContact CB-CG1 4.35Å; C565-V643 HydrophobicContact CB-CG2 3.78Å; C565-F647 HydrophobicContact CB-CE2 4.16Å; C565-F647 HydrophobicContact CB-CZ 4.38Å |
| 566 | I | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 175.1 | -66.1 | 168.6 | 0 | 0 | 0 | 110.6 | C503 F506 L562 L563 V564 V568 M569 Y570 L639 | C503-I566 HydrophobicContact CB-CD1 3.84Å; F506-I566 HydrophobicContact CB-CG2 3.48Å; F506-I566 VanDerWaalsContact CB-CG2 3.48Å; L562-I566 HydrophobicContact CD1-CD1 4.39Å; L562-I566 HydrophobicContact CD1-CG1 4.31Å; L562-I566 HydrophobicContact CG-CD1 3.95Å; L562-I566 HydrophobicContact CG-CG1 4.33Å; L562-I566 VanDerWaalsContact O-CG1 3.26Å; L562-I566 WeakPolarHBondContact O-CG1 3.25Å; L562-I566 PolarHBondContact O-N 3.39Å; L563-I566 PolarHBondContact O-N 2.89Å; V564-I566 PolarHBondContact O-N 2.93Å; I566-V568 PolarHBondContact O-N 3.07Å; I566-M569 PolarHBondContact O-N 3.12Å; I566-Y570 HydrophobicContact CB-CD2 4.49Å; I566-Y570 HydrophobicContact CG2-CD2 3.63Å; I566-Y570 HydrophobicContact CG2-CE2 4.15Å; I566-Y570 PolarHBondContact O-N 3.06Å; I566-L639 HydrophobicContact CD1-CD1 3.84Å; I566-L639 HydrophobicContact CG1-CD1 4.35Å; I566-L639 HydrophobicContact CG1-CD2 4.39Å |
| 567 | C | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -27.4 | 175.6 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | F506 V513 L537 L563 V564 C565 N571 | F506-C567 VanDerWaalsContact CE2-SG 3.54Å; V513-C567 HydrophobicContact CG1-CB 4.41Å; L537-C567 HydrophobicContact CD1-CB 4.48Å; L563-C567 PolarHBondContact O-N 2.96Å; L563-C567 VanDerWaalsContact O-N 3.13Å; L563-C567 PolarHBondContact O-SG 3.44Å; V564-C567 WeakPolarHBondContact O-CB 3.13Å; V564-C567 PolarHBondContact O-N 3.38Å; C565-C567 VanDerWaalsContact C-N 3.26Å; C565-C567 PolarHBondContact O-N 3.24Å; C567-N571 VanDerWaalsContact O-CB 3.29Å; C567-N571 WeakPolarHBondContact O-CB 3.39Å |
| 568 | V | 92.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -82.8 | -44.8 | 174.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | V564 C565 I566 N571 K580 L583 Y584 L587 | V564-V568 PolarHBondContact O-N 3.39Å; C565-V568 WeakPolarHBondContact O-CB 3.31Å; C565-V568 PolarHBondContact O-N 2.92Å; I566-V568 PolarHBondContact O-N 3.07Å; V568-N571 PolarHBondContact O-N 3.34Å; V568-K580 HydrophobicContact CG1-CG 4.07Å; V568-K580 WeakPolarHBondContact O-CD 3.49Å; V568-K580 VanDerWaalsContact O-CE 3.25Å; V568-K580 WeakPolarHBondContact O-CE 3.46Å; V568-L583 HydrophobicContact CG2-CB 3.74Å; V568-L583 HydrophobicContact CG2-CD1 4.33Å; V568-Y584 HydrophobicContact CG1-CD2 4.44Å; V568-L587 HydrophobicContact CG2-CD1 3.48Å; V568-L587 VanDerWaalsContact CG2-CD1 3.48Å; V568-L587 HydrophobicContact CG2-CG 4.29Å |
| 569 | M | 92.5 | Very high | 90.2 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 11% | 0.108 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | -175.9 | -70 | 167.6 | 57.9 | 0 | 0 | 111.9 | C565 I566 K580 L639 E642 V643 T646 | C565-M569 WeakPolarHBondContact O-CG 3.02Å; C565-M569 PolarHBondContact O-N 3.22Å; I566-M569 PolarHBondContact O-N 3.12Å; M569-K580 PolarHBondContact O-NZ 2.95Å; M569-L639 HydrophobicContact CE-CD2 4.33Å; M569-E642 HydrophobicContact CE-CB 3.37Å; M569-E642 HydrophobicContact CE-CG 4.28Å; M569-E642 WeakPolarHBondContact CE-OE2 3.4Å; M569-V643 HydrophobicContact SD-CB 4.49Å; M569-V643 HydrophobicContact SD-CG2 3.43Å; M569-V643 WeakPolarHBondContact SD-CG2 3.45Å; M569-T646 HydrophobicContact CG-CG2 4.41Å |
| 570 | Y | 93.1 | Very high | 89.8 | Confident | 39 Ų | 39 | 31 Ų | 31 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 19.6 | -175.9 | -58.7 | -76.9 | 0 | 0 | 0 | 113.3 | T507 N508 S510 I566 L639 E642 | T507-Y570 HydrophobicContact CG2-CE2 4.04Å; N508-Y570 HydrophobicContact CB-CE1 4.48Å; N508-Y570 WeakPolarHBondContact OD1-CE1 3.11Å; N508-Y570 PolarHBondContact OD1-OH 3.1Å; S510-Y570 WeakPolarHBondContact CA-O 3.35Å; I566-Y570 HydrophobicContact CB-CD2 4.49Å; I566-Y570 HydrophobicContact CG2-CD2 3.63Å; I566-Y570 HydrophobicContact CG2-CE2 4.15Å; I566-Y570 PolarHBondContact O-N 3.06Å; Y570-L639 HydrophobicContact CE2-CD2 4.09Å; Y570-E642 PolarHBondContact OH-OE2 3.16Å |
| 571 | N | 91.5 | Very high | 89.3 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | trans | -66.2 | 127 | 175.4 | -164 | -40.2 | 0 | 0 | 0 | 111 | L517 C567 V568 G573 F578 K580 L583 | L517-N571 WeakPolarHBondContact CD1-ND2 3.41Å; C567-N571 VanDerWaalsContact O-CB 3.29Å; C567-N571 WeakPolarHBondContact O-CB 3.39Å; V568-N571 PolarHBondContact O-N 3.34Å; N571-G573 PolarHBondContact O-N 3Å; N571-G573 WeakPolarHBondContact OD1-CA 3.36Å; N571-G573 PolarHBondContact OD1-N 3.25Å; N571-F578 PolarHBondContact ND2-O 3.31Å; N571-K580 HydrophobicContact CB-CB 4.45Å; N571-L583 WeakPolarHBondContact ND2-CD1 3.34Å | ||
| 572 | P | 88.5 | Confident | 88.8 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | trans | -68.6 | -13.6 | 174.3 | 27.7 | -35.7 | 0 | 0 | 0 | 114.5 | R514 N574 | R514-P572 HydrophobicContact CB-CG 4.03Å; R514-P572 HydrophobicContact CG-CG 4.24Å; P572-N574 VanDerWaalsContact C-N 3.31Å; P572-N574 VanDerWaalsContact CG-OD1 3.23Å; P572-N574 WeakPolarHBondContact CG-OD1 3.42Å; P572-N574 PolarHBondContact O-N 2.88Å | ||
| 573 | G | 84.4 | Confident | 88.4 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 79.5 | 5.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N571 | N571-G573 PolarHBondContact O-N 3Å; N571-G573 WeakPolarHBondContact OD1-CA 3.36Å; N571-G573 PolarHBondContact OD1-N 3.25Å |
| 574 | N | 82.9 | Confident | 88.1 | Confident | 105 Ų | 105 | 37.7 Ų | 37.7 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | trans | -112.9 | 19.7 | -172.4 | 66.4 | -1.7 | 0 | 0 | 0 | 114.2 | P572 | P572-N574 VanDerWaalsContact C-N 3.31Å; P572-N574 VanDerWaalsContact CG-OD1 3.23Å; P572-N574 WeakPolarHBondContact CG-OD1 3.42Å; P572-N574 PolarHBondContact O-N 2.88Å | ||
| 575 | V | 82.5 | Confident | 87.8 | Confident | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -105.3 | 110.1 | 174.8 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | R514 L517 G577 F578 | R514-V575 HydrophobicContact CG-CG2 3.79Å; L517-V575 HydrophobicContact CB-CB 4.47Å; L517-V575 HydrophobicContact CB-CG1 4.1Å; L517-V575 HydrophobicContact CB-CG2 4.32Å; V575-G577 PolarHBondContact O-N 3.35Å; V575-F578 HydrophobicContact CB-CB 4.32Å; V575-F578 HydrophobicContact CG1-CB 4.22Å; V575-F578 HydrophobicContact CG1-CD2 4.06Å; V575-F578 CarbonylContact O-C 3.57Å; V575-F578 PolarHBondContact O-N 3.25Å |
| 576 | N | 77.8 | Confident | 87.4 | Confident | 147 Ų | 147 | 40.8 Ų | 40.8 | 79% | 0.786 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126.6 | -176.8 | -68 | -18.9 | 0 | 0 | 0 | 111.7 | F578 | N576-F578 VanDerWaalsContact C-N 3.26Å; N576-F578 PolarHBondContact O-N 3.25Å |
| 577 | G | 79.2 | Confident | 87.2 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -5.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V575 E579 | V575-G577 PolarHBondContact O-N 3.35Å; G577-E579 PolarHBondContact N-OE1 3.28Å |
| 578 | F | 84.5 | Confident | 87 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -127 | 39.2 | 176.6 | -65.3 | -65.5 | 0 | 0 | 0 | 110.9 | L517 L537 W538 N571 V575 N576 L583 | L517-F578 HydrophobicContact CB-CB 4.47Å; L517-F578 HydrophobicContact CD1-CB 4.34Å; L537-F578 HydrophobicContact CD2-CD1 3.95Å; L537-F578 HydrophobicContact CD2-CE1 3.88Å; W538-F578 HydrophobicContact CZ2-CE1 4.35Å; N571-F578 PolarHBondContact ND2-O 3.31Å; V575-F578 HydrophobicContact CB-CB 4.32Å; V575-F578 HydrophobicContact CG1-CB 4.22Å; V575-F578 HydrophobicContact CG1-CD2 4.06Å; V575-F578 CarbonylContact O-C 3.57Å; V575-F578 PolarHBondContact O-N 3.25Å; N576-F578 VanDerWaalsContact C-N 3.26Å; N576-F578 PolarHBondContact O-N 3.25Å; F578-L583 HydrophobicContact CB-CD2 4.28Å; F578-L583 HydrophobicContact CB-CG 4.42Å; F578-L583 HydrophobicContact CD1-CD2 3.58Å; F578-L583 HydrophobicContact CE1-CD2 4.41Å; F578-L583 HydrophobicContact CG-CD2 4.41Å | ||
| 579 | E | 85.7 | Confident | 86.9 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | trans | -62.7 | 151.4 | 173.2 | -52.3 | 80.4 | -169.2 | 0 | 0 | 110.2 | G577 S581 T582 L583 | G577-E579 PolarHBondContact N-OE1 3.28Å; E579-S581 VanDerWaalsContact C-N 3.28Å; E579-S581 PolarHBondContact O-N 3.47Å; E579-T582 WeakPolarHBondContact O-CA 3.38Å; E579-T582 WeakPolarHBondContact O-CB 3.32Å; E579-T582 PolarHBondContact O-N 3.32Å; E579-T582 PolarHBondContact OE2-OG1 3.44Å; E579-L583 PolarHBondContact O-N 3.5Å | ||
| 580 | K | 87.2 | Confident | 86.8 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54 | -42.4 | -175.5 | -174.5 | 168.6 | -180 | 165.5 | 0 | 113 | V568 M569 N571 Y584 | V568-K580 HydrophobicContact CG1-CG 4.07Å; V568-K580 WeakPolarHBondContact O-CD 3.49Å; V568-K580 VanDerWaalsContact O-CE 3.25Å; V568-K580 WeakPolarHBondContact O-CE 3.46Å; M569-K580 PolarHBondContact O-NZ 2.95Å; N571-K580 HydrophobicContact CB-CB 4.45Å; K580-Y584 VanDerWaalsContact O-CB 3.27Å; K580-Y584 WeakPolarHBondContact O-CB 3.25Å; K580-Y584 PolarHBondContact O-N 3.45Å |
| 581 | S | 85.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 176.9 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | E579 N585 | E579-S581 VanDerWaalsContact C-N 3.28Å; E579-S581 PolarHBondContact O-N 3.47Å; S581-N585 WeakPolarHBondContact O-CB 3.3Å; S581-N585 VanDerWaalsContact O-CG 3.24Å; S581-N585 PolarHBondContact O-N 2.82Å; S581-N585 PolarHBondContact O-ND2 3.2Å |
| 582 | T | 86.8 | Confident | 86.7 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | E579 A586 | E579-T582 WeakPolarHBondContact O-CA 3.38Å; E579-T582 WeakPolarHBondContact O-CB 3.32Å; E579-T582 PolarHBondContact O-N 3.32Å; E579-T582 PolarHBondContact OE2-OG1 3.44Å; T582-A586 WeakPolarHBondContact O-CB 3.46Å; T582-A586 PolarHBondContact O-N 3.35Å |
| 583 | L | 88 | Confident | 86.8 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 176.8 | -68.5 | -172.3 | 0 | 0 | 0 | 112.3 | L517 L537 V568 N571 F578 E579 N585 A586 L587 | L517-L583 HydrophobicContact CD1-CD1 4.07Å; L517-L583 HydrophobicContact CD2-CD1 4.41Å; L537-L583 HydrophobicContact CD2-CD2 3.35Å; V568-L583 HydrophobicContact CG2-CB 3.74Å; V568-L583 HydrophobicContact CG2-CD1 4.33Å; N571-L583 WeakPolarHBondContact ND2-CD1 3.34Å; F578-L583 HydrophobicContact CB-CD2 4.28Å; F578-L583 HydrophobicContact CB-CG 4.42Å; F578-L583 HydrophobicContact CD1-CD2 3.58Å; F578-L583 HydrophobicContact CE1-CD2 4.41Å; F578-L583 HydrophobicContact CG-CD2 4.41Å; E579-L583 PolarHBondContact O-N 3.5Å; L583-N585 VanDerWaalsContact C-N 3.33Å; L583-N585 PolarHBondContact O-N 3.07Å; L583-A586 WeakPolarHBondContact O-CA 3.46Å; L583-A586 WeakPolarHBondContact O-CB 3.39Å; L583-A586 PolarHBondContact O-N 3.07Å; L583-L587 WeakPolarHBondContact O-CG 3.18Å; L583-L587 PolarHBondContact O-N 2.88Å |
| 584 | Y | 89.3 | Confident | 87.2 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 9% | 0.09 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -52.9 | -52.6 | 177.1 | -178.2 | -84.6 | 0 | 0 | 0 | 111.2 | V568 K580 A586 L587 E588 F647 | V568-Y584 HydrophobicContact CG1-CD2 4.44Å; K580-Y584 VanDerWaalsContact O-CB 3.27Å; K580-Y584 WeakPolarHBondContact O-CB 3.25Å; K580-Y584 PolarHBondContact O-N 3.45Å; Y584-A586 PolarHBondContact O-N 2.68Å; Y584-L587 PolarHBondContact O-N 2.98Å; Y584-L587 VanDerWaalsContact O-N 3.13Å; Y584-E588 WeakPolarHBondContact O-CB 3.45Å; Y584-E588 PolarHBondContact O-N 3.3Å; Y584-F647 HydrophobicContact CD2-CD1 4Å; Y584-F647 AromaticContact CD2-CE1 3.81Å; Y584-F647 HydrophobicContact CD2-CE1 3.81Å; Y584-F647 HydrophobicContact CD2-CZ 4.36Å; Y584-F647 HydrophobicContact CE2-CB 4.46Å; Y584-F647 AromaticContact CE2-CD1 3.45Å; Y584-F647 HydrophobicContact CE2-CD1 3.45Å; Y584-F647 VanDerWaalsContact CE2-CD1 3.45Å; Y584-F647 AromaticContact CE2-CE1 3.77Å; Y584-F647 HydrophobicContact CE2-CE1 3.77Å; Y584-F647 AromaticContact CE2-CG 3.95Å; Y584-F647 HydrophobicContact CE2-CG 3.95Å; Y584-F647 PolarHBondContact OH-O 2.85Å |
| 585 | N | 88.5 | Confident | 87.6 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | 177.7 | -74.5 | -49.3 | 0 | 0 | 0 | 112.5 | S581 L583 K589 | S581-N585 WeakPolarHBondContact O-CB 3.3Å; S581-N585 VanDerWaalsContact O-CG 3.24Å; S581-N585 PolarHBondContact O-N 2.82Å; S581-N585 PolarHBondContact O-ND2 3.2Å; L583-N585 VanDerWaalsContact C-N 3.33Å; L583-N585 PolarHBondContact O-N 3.07Å; N585-K589 VanDerWaalsContact O-CB 3.3Å; N585-K589 WeakPolarHBondContact O-CB 3.31Å; N585-K589 VanDerWaalsContact O-CG 3.23Å; N585-K589 WeakPolarHBondContact O-CG 3.4Å; N585-K589 PolarHBondContact O-N 3.02Å; N585-K589 VanDerWaalsContact O-N 3.08Å |
| 586 | A | 87.3 | Confident | 88.2 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W538 T582 L583 Y584 R590 | W538-A586 HydrophobicContact CH2-CB 4.08Å; W538-A586 HydrophobicContact CZ3-CB 4.25Å; T582-A586 WeakPolarHBondContact O-CB 3.46Å; T582-A586 PolarHBondContact O-N 3.35Å; L583-A586 WeakPolarHBondContact O-CA 3.46Å; L583-A586 WeakPolarHBondContact O-CB 3.39Å; L583-A586 PolarHBondContact O-N 3.07Å; Y584-A586 PolarHBondContact O-N 2.68Å; A586-R590 VanDerWaalsContact O-CB 3.25Å; A586-R590 WeakPolarHBondContact O-CB 3.47Å; A586-R590 WeakPolarHBondContact O-CG 3.47Å; A586-R590 PolarHBondContact O-N 3.36Å |
| 587 | L | 90.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 175.5 | -60.5 | -170.1 | 0 | 0 | 0 | 111.7 | I541 V564 V568 L583 Y584 K589 R590 I591 G592 I596 F647 | I541-L587 HydrophobicContact CD1-CD2 3.71Å; I541-L587 HydrophobicContact CG1-CD2 3.73Å; V564-L587 HydrophobicContact CG1-CD1 3.73Å; V564-L587 HydrophobicContact CG1-CD2 3.19Å; V564-L587 HydrophobicContact CG1-CG 4.08Å; V568-L587 HydrophobicContact CG2-CD1 3.48Å; V568-L587 VanDerWaalsContact CG2-CD1 3.48Å; V568-L587 HydrophobicContact CG2-CG 4.29Å; L583-L587 WeakPolarHBondContact O-CG 3.18Å; L583-L587 PolarHBondContact O-N 2.88Å; Y584-L587 PolarHBondContact O-N 2.98Å; Y584-L587 VanDerWaalsContact O-N 3.13Å; L587-K589 VanDerWaalsContact C-N 3.3Å; L587-K589 PolarHBondContact O-N 3.37Å; L587-R590 PolarHBondContact O-N 3.33Å; L587-I591 HydrophobicContact CD2-CD1 3.99Å; L587-I591 WeakPolarHBondContact O-CB 3.42Å; L587-I591 PolarHBondContact O-N 3.15Å; L587-G592 PolarHBondContact O-N 3.3Å; L587-G592 VanDerWaalsContact O-N 3.16Å; L587-I596 HydrophobicContact CB-CD1 4.28Å; L587-F647 HydrophobicContact CB-CE1 4.39Å; L587-F647 HydrophobicContact CD1-CE1 4.16Å; L587-F647 HydrophobicContact CD1-CZ 3.96Å |
| 588 | E | 89.2 | Confident | 89.6 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 176.3 | -175 | -175.2 | 174.9 | 0 | 0 | 111.3 | Y584 G592 I593 | Y584-E588 WeakPolarHBondContact O-CB 3.45Å; Y584-E588 PolarHBondContact O-N 3.3Å; E588-G592 WeakPolarHBondContact O-CA 3.38Å; E588-G592 PolarHBondContact O-N 3.38Å; E588-I593 HydrophobicContact CG-CD1 4Å; E588-I593 HydrophobicContact CG-CG1 4.19Å |
| 589 | K | 90 | Very high | 90.1 | Very high | 177 Ų | 177 | 57.3 Ų | 57.3 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -76.2 | -33 | -179.7 | -74.4 | 178.5 | -179.3 | -179.7 | 0 | 114.9 | N585 L587 | N585-K589 VanDerWaalsContact O-CB 3.3Å; N585-K589 WeakPolarHBondContact O-CB 3.31Å; N585-K589 VanDerWaalsContact O-CG 3.23Å; N585-K589 WeakPolarHBondContact O-CG 3.4Å; N585-K589 PolarHBondContact O-N 3.02Å; N585-K589 VanDerWaalsContact O-N 3.08Å; L587-K589 VanDerWaalsContact C-N 3.3Å; L587-K589 PolarHBondContact O-N 3.37Å |
| 590 | R | 91 | Very high | 90.6 | Very high | 143 Ų | 143 | 54 Ų | 54 | 54% | 0.54 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -94.6 | -40.7 | -173.2 | -70.5 | -168 | 176.5 | -156.3 | 4.9 | 113.4 | W538 I541 C545 A586 L587 | W538-R590 VanDerWaalsContact CE3-NH1 3.28Å; I541-R590 HydrophobicContact CG2-CB 3.99Å; C545-R590 PolarHBondContact SG-O 3.12Å; A586-R590 VanDerWaalsContact O-CB 3.25Å; A586-R590 WeakPolarHBondContact O-CB 3.47Å; A586-R590 WeakPolarHBondContact O-CG 3.47Å; A586-R590 PolarHBondContact O-N 3.36Å; L587-R590 PolarHBondContact O-N 3.33Å |
| 591 | I | 91.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -47.2 | -178.5 | -52.7 | 172.8 | 0 | 0 | 0 | 109.4 | I541 A544 C545 L587 M595 I596 | I541-I591 HydrophobicContact CG2-CD1 4.44Å; I541-I591 HydrophobicContact CG2-CG1 4.26Å; A544-I591 HydrophobicContact CB-CD1 4.02Å; C545-I591 VanDerWaalsContact SG-CG1 3.59Å; L587-I591 HydrophobicContact CD2-CD1 3.99Å; L587-I591 WeakPolarHBondContact O-CB 3.42Å; L587-I591 PolarHBondContact O-N 3.15Å; I591-M595 HydrophobicContact CG2-CB 4.14Å; I591-M595 HydrophobicContact CG2-CG 3.91Å; I591-M595 VanDerWaalsContact O-CB 3.3Å; I591-M595 WeakPolarHBondContact O-CB 3.09Å; I591-I596 HydrophobicContact CB-CD1 4.41Å; I591-I596 HydrophobicContact CB-CG1 4.11Å; I591-I596 HydrophobicContact CD1-CG1 4.49Å; I591-I596 HydrophobicContact CG2-CD1 4.46Å; I591-I596 HydrophobicContact CG2-CG1 3.63Å |
| 592 | G | 90.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | 89.6 | 139.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L587 E588 M595 I596 | L587-G592 PolarHBondContact O-N 3.3Å; L587-G592 VanDerWaalsContact O-N 3.16Å; E588-G592 WeakPolarHBondContact O-CA 3.38Å; E588-G592 PolarHBondContact O-N 3.38Å; G592-M595 PolarHBondContact O-N 2.9Å; G592-I596 WeakPolarHBondContact O-CG1 3.44Å; G592-I596 PolarHBondContact O-N 3.38Å | ||
| 593 | I | 91.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | -175.9 | -64.2 | 165 | 0 | 0 | 0 | 110.7 | E588 M595 I596 L597 F647 | E588-I593 HydrophobicContact CG-CD1 4Å; E588-I593 HydrophobicContact CG-CG1 4.19Å; I593-M595 VanDerWaalsContact C-N 3.31Å; I593-M595 PolarHBondContact O-N 2.69Å; I593-I596 WeakPolarHBondContact O-CB 3.37Å; I593-I596 PolarHBondContact O-N 2.89Å; I593-I596 VanDerWaalsContact O-N 3.13Å; I593-L597 HydrophobicContact CG2-CD1 4.21Å; I593-L597 HydrophobicContact CG2-CG 4.44Å; I593-L597 WeakPolarHBondContact O-CG 3.21Å; I593-L597 PolarHBondContact O-N 2.9Å; I593-F647 HydrophobicContact CG1-CD1 4.41Å; I593-F647 HydrophobicContact CG2-CB 4.08Å |
| 594 | D | 91.7 | Very high | 92.2 | Very high | 135 Ų | 135 | 49.8 Ų | 49.8 | 72% | 0.722 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.7 | -42.4 | 179.4 | -58.6 | -42.8 | 0 | 0 | 0 | 111.7 | L597 E598 | D594-L597 PolarHBondContact O-N 3.37Å; D594-E598 WeakPolarHBondContact O-CB 3.24Å; D594-E598 PolarHBondContact O-N 3.01Å |
| 595 | M | 92.7 | Very high | 92.6 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 175.5 | -177.5 | 60.6 | 66.9 | 0 | 0 | 111.5 | I591 G592 I593 L597 E598 R599 | I591-M595 HydrophobicContact CG2-CB 4.14Å; I591-M595 HydrophobicContact CG2-CG 3.91Å; I591-M595 VanDerWaalsContact O-CB 3.3Å; I591-M595 WeakPolarHBondContact O-CB 3.09Å; G592-M595 PolarHBondContact O-N 2.9Å; I593-M595 VanDerWaalsContact C-N 3.31Å; I593-M595 PolarHBondContact O-N 2.69Å; M595-L597 VanDerWaalsContact C-N 3.29Å; M595-L597 PolarHBondContact O-N 3.01Å; M595-E598 PolarHBondContact O-N 2.87Å; M595-R599 HydrophobicContact CG-CG 4.32Å; M595-R599 WeakPolarHBondContact O-CB 2.98Å; M595-R599 WeakPolarHBondContact O-CG 3.38Å; M595-R599 PolarHBondContact O-N 2.87Å; M595-R599 HydrophobicContact SD-CG 4.23Å |
| 596 | I | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 173.6 | -70.3 | 168 | 0 | 0 | 0 | 110.3 | T561 L587 I591 G592 I593 R599 L600 V643 F647 | T561-I596 HydrophobicContact CG2-CB 4.24Å; T561-I596 HydrophobicContact CG2-CG1 4.04Å; T561-I596 HydrophobicContact CG2-CG2 4.05Å; L587-I596 HydrophobicContact CB-CD1 4.28Å; I591-I596 HydrophobicContact CB-CD1 4.41Å; I591-I596 HydrophobicContact CB-CG1 4.11Å; I591-I596 HydrophobicContact CD1-CG1 4.49Å; I591-I596 HydrophobicContact CG2-CD1 4.46Å; I591-I596 HydrophobicContact CG2-CG1 3.63Å; G592-I596 WeakPolarHBondContact O-CG1 3.44Å; G592-I596 PolarHBondContact O-N 3.38Å; I593-I596 WeakPolarHBondContact O-CB 3.37Å; I593-I596 PolarHBondContact O-N 2.89Å; I593-I596 VanDerWaalsContact O-N 3.13Å; I596-R599 PolarHBondContact O-N 3.24Å; I596-L600 HydrophobicContact CG2-CD1 4.35Å; I596-L600 WeakPolarHBondContact O-CG 3.29Å; I596-L600 PolarHBondContact O-N 2.99Å; I596-L600 VanDerWaalsContact O-N 3.12Å; I596-V643 HydrophobicContact CG2-CG1 4.04Å; I596-F647 HydrophobicContact CD1-CD1 4.26Å; I596-F647 HydrophobicContact CD1-CE1 4.06Å |
| 597 | L | 94 | Very high | 93.3 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68 | -39.5 | -179.3 | -63.6 | 180 | 0 | 0 | 0 | 112.2 | I593 D594 M595 L600 S601 M644 Q648 | I593-L597 HydrophobicContact CG2-CD1 4.21Å; I593-L597 HydrophobicContact CG2-CG 4.44Å; I593-L597 WeakPolarHBondContact O-CG 3.21Å; I593-L597 PolarHBondContact O-N 2.9Å; D594-L597 PolarHBondContact O-N 3.37Å; M595-L597 VanDerWaalsContact C-N 3.29Å; M595-L597 PolarHBondContact O-N 3.01Å; L597-L600 PolarHBondContact O-N 3.3Å; L597-S601 WeakPolarHBondContact O-CB 3.38Å; L597-S601 PolarHBondContact O-N 3.05Å; L597-M644 HydrophobicContact CD2-CB 4.48Å; L597-M644 HydrophobicContact CD2-CG 3.69Å; L597-Q648 HydrophobicContact CD1-CG 4.28Å; L597-Q648 VanDerWaalsContact CD1-NE2 3.26Å |
| 598 | E | 93.5 | Very high | 93.4 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.6 | -176 | 174.6 | -173.9 | 0 | 0 | 111.3 | D594 M595 L600 S601 Q602 | D594-E598 WeakPolarHBondContact O-CB 3.24Å; D594-E598 PolarHBondContact O-N 3.01Å; M595-E598 PolarHBondContact O-N 2.87Å; E598-L600 PolarHBondContact O-N 3.48Å; E598-S601 WeakPolarHBondContact O-CB 3.49Å; E598-S601 PolarHBondContact O-N 3.07Å; E598-S601 VanDerWaalsContact O-N 3.13Å; E598-Q602 WeakPolarHBondContact O-CG 3.28Å; E598-Q602 PolarHBondContact O-N 3.07Å |
| 599 | R | 93.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 176.7 | -73.6 | -70.2 | 179 | -144.3 | 9.9 | 113 | A546 D548 T561 M595 I596 | A546-R599 PolarHBondContact O-NH2 3.28Å; D548-R599 VanDerWaalsContact CG-NH2 3.29Å; D548-R599 IonicContact OD1-CZ 3.49Å; D548-R599 IonicContact OD1-NH1 2.68Å; D548-R599 PolarHBondContact OD1-NH1 2.89Å; D548-R599 IonicContact OD1-NH2 3.09Å; D548-R599 PolarHBondContact OD1-NH2 3.05Å; D548-R599 IonicContact OD2-CZ 2.69Å; D548-R599 VanDerWaalsContact OD2-CZ 3.28Å; D548-R599 IonicContact OD2-NH1 2.88Å; D548-R599 PolarHBondContact OD2-NH1 3.06Å; D548-R599 IonicContact OD2-NH2 3.57Å; D548-R599 PolarHBondContact OD2-NH2 3.08Å; T561-R599 HydrophobicContact CG2-CB 4.11Å; T561-R599 HydrophobicContact CG2-CG 4.5Å; M595-R599 HydrophobicContact CG-CG 4.32Å; M595-R599 WeakPolarHBondContact O-CB 2.98Å; M595-R599 WeakPolarHBondContact O-CG 3.38Å; M595-R599 PolarHBondContact O-N 2.87Å; M595-R599 HydrophobicContact SD-CG 4.23Å; I596-R599 PolarHBondContact O-N 3.24Å |
| 600 | L | 96 | Very high | 94 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69 | -40 | 175.9 | -64.3 | 179.6 | 0 | 0 | 0 | 111.3 | L562 I596 L597 E598 Q602 I603 S604 F636 E640 V643 | L562-L600 HydrophobicContact CB-CD2 3.73Å; L562-L600 HydrophobicContact CD1-CD2 4Å; L562-L600 HydrophobicContact CG-CD2 4.38Å; I596-L600 HydrophobicContact CG2-CD1 4.35Å; I596-L600 WeakPolarHBondContact O-CG 3.29Å; I596-L600 PolarHBondContact O-N 2.99Å; I596-L600 VanDerWaalsContact O-N 3.12Å; L597-L600 PolarHBondContact O-N 3.3Å; E598-L600 PolarHBondContact O-N 3.48Å; L600-Q602 VanDerWaalsContact C-N 3.29Å; L600-Q602 PolarHBondContact O-N 3.2Å; L600-I603 WeakPolarHBondContact O-CB 3.45Å; L600-I603 PolarHBondContact O-N 3.4Å; L600-I603 VanDerWaalsContact O-N 3.13Å; L600-S604 PolarHBondContact O-N 2.83Å; L600-S604 PolarHBondContact O-OG 3.32Å; L600-F636 HydrophobicContact CB-CZ 4.28Å; L600-F636 HydrophobicContact CD2-CE2 4.06Å; L600-F636 HydrophobicContact CD2-CZ 4.11Å; L600-F636 WeakPolarHBondContact O-CZ 3.5Å; L600-E640 HydrophobicContact CB-CG 4.34Å; L600-V643 HydrophobicContact CD1-CB 3.97Å; L600-V643 HydrophobicContact CD1-CG1 3.66Å; L600-V643 HydrophobicContact CD1-CG2 4.33Å |
| 601 | S | 94.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -34.4 | 177.1 | -170 | 0 | 0 | 0 | 0 | 112.9 | L597 E598 I603 S604 K605 | L597-S601 WeakPolarHBondContact O-CB 3.38Å; L597-S601 PolarHBondContact O-N 3.05Å; E598-S601 WeakPolarHBondContact O-CB 3.49Å; E598-S601 PolarHBondContact O-N 3.07Å; E598-S601 VanDerWaalsContact O-N 3.13Å; S601-I603 VanDerWaalsContact C-N 3.3Å; S601-I603 PolarHBondContact O-N 3.07Å; S601-S604 WeakPolarHBondContact CA-OG 3.43Å; S601-S604 PolarHBondContact O-N 3.14Å; S601-S604 PolarHBondContact O-OG 2.76Å; S601-K605 WeakPolarHBondContact O-CB 3.22Å; S601-K605 WeakPolarHBondContact O-CD 3.5Å; S601-K605 VanDerWaalsContact O-CG 3.29Å; S601-K605 WeakPolarHBondContact O-CG 3.36Å; S601-K605 PolarHBondContact O-N 2.83Å; S601-K605 VanDerWaalsContact OG-CE 3.25Å; S601-K605 WeakPolarHBondContact OG-CE 3.4Å; S601-K605 PolarHBondContact OG-NZ 2.94Å |
| 602 | Q | 94.9 | Very high | 94.3 | Very high | 57 Ų | 57 | 51 Ų | 51 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 174.7 | -74.2 | 170.3 | -10.9 | 0 | 0 | 111.7 | E598 L600 A606 | E598-Q602 WeakPolarHBondContact O-CG 3.28Å; E598-Q602 PolarHBondContact O-N 3.07Å; L600-Q602 VanDerWaalsContact C-N 3.29Å; L600-Q602 PolarHBondContact O-N 3.2Å; Q602-A606 PolarHBondContact O-N 3.4Å |
| 603 | I | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -49.5 | 175.7 | -66.6 | 168.3 | 0 | 0 | 0 | 110.8 | L555 L559 L600 S601 K605 A606 F609 F628 F636 | L555-I603 HydrophobicContact CD2-CG1 4.07Å; L559-I603 HydrophobicContact CD2-CD1 3.81Å; L559-I603 HydrophobicContact CG-CD1 3.93Å; L600-I603 WeakPolarHBondContact O-CB 3.45Å; L600-I603 PolarHBondContact O-N 3.4Å; L600-I603 VanDerWaalsContact O-N 3.13Å; S601-I603 VanDerWaalsContact C-N 3.3Å; S601-I603 PolarHBondContact O-N 3.07Å; I603-K605 PolarHBondContact O-N 2.78Å; I603-A606 WeakPolarHBondContact O-CB 3.44Å; I603-A606 PolarHBondContact O-N 2.9Å; I603-A606 VanDerWaalsContact O-N 3.13Å; I603-F609 HydrophobicContact CG2-CD2 3.63Å; I603-F609 HydrophobicContact CG2-CE2 3.95Å; I603-F609 HydrophobicContact CG2-CG 4.19Å; I603-F609 WeakPolarHBondContact O-CB 3.32Å; I603-F609 WeakPolarHBondContact O-CG 3.32Å; I603-F628 HydrophobicContact CG2-CE1 4.11Å; I603-F628 HydrophobicContact CG2-CZ 3.79Å; I603-F636 HydrophobicContact CB-CE1 4.22Å; I603-F636 HydrophobicContact CB-CE2 3.9Å; I603-F636 HydrophobicContact CB-CZ 3.58Å; I603-F636 HydrophobicContact CD1-CE2 3.57Å; I603-F636 HydrophobicContact CD1-CZ 4.01Å; I603-F636 HydrophobicContact CG1-CE2 4.35Å; I603-F636 HydrophobicContact CG1-CZ 4.39Å; I603-F636 HydrophobicContact CG2-CD1 4.34Å; I603-F636 HydrophobicContact CG2-CD2 4.06Å; I603-F636 HydrophobicContact CG2-CE1 3.94Å; I603-F636 HydrophobicContact CG2-CE2 3.64Å; I603-F636 HydrophobicContact CG2-CG 4.42Å; I603-F636 HydrophobicContact CG2-CZ 3.58Å |
| 604 | S | 95.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -23.2 | -176.3 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | L600 S601 E640 | L600-S604 PolarHBondContact O-N 2.83Å; L600-S604 PolarHBondContact O-OG 3.32Å; S601-S604 WeakPolarHBondContact CA-OG 3.43Å; S601-S604 PolarHBondContact O-N 3.14Å; S601-S604 PolarHBondContact O-OG 2.76Å; S604-E640 WeakPolarHBondContact CB-OE1 3.33Å; S604-E640 PolarHBondContact OG-OE1 3Å |
| 605 | K | 96 | Very high | 94.4 | Very high | 152 Ų | 152 | 55.4 Ų | 55.4 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -88.6 | -14.5 | 175.6 | -71.3 | 169.3 | 177.3 | 157.2 | 0 | 114.9 | S601 I603 | S601-K605 WeakPolarHBondContact O-CB 3.22Å; S601-K605 WeakPolarHBondContact O-CD 3.5Å; S601-K605 VanDerWaalsContact O-CG 3.29Å; S601-K605 WeakPolarHBondContact O-CG 3.36Å; S601-K605 PolarHBondContact O-N 2.83Å; S601-K605 VanDerWaalsContact OG-CE 3.25Å; S601-K605 WeakPolarHBondContact OG-CE 3.4Å; S601-K605 PolarHBondContact OG-NZ 2.94Å; I603-K605 PolarHBondContact O-N 2.78Å |
| 606 | A | 95.7 | Very high | 94.3 | Very high | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | trans | -65.2 | 137.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L555 Q602 I603 S608 F609 I610 | L555-A606 HydrophobicContact CD2-CB 3.77Å; Q602-A606 PolarHBondContact O-N 3.4Å; I603-A606 WeakPolarHBondContact O-CB 3.44Å; I603-A606 PolarHBondContact O-N 2.9Å; I603-A606 VanDerWaalsContact O-N 3.13Å; A606-S608 VanDerWaalsContact C-N 3.28Å; A606-S608 PolarHBondContact O-N 3.4Å; A606-F609 HydrophobicContact CB-CB 4.18Å; A606-F609 WeakPolarHBondContact O-CB 3.48Å; A606-F609 PolarHBondContact O-N 2.86Å; A606-I610 WeakPolarHBondContact O-CG1 3.17Å; A606-I610 PolarHBondContact O-N 3.1Å | ||
| 607 | E | 94.8 | Very high | 94.1 | Very high | 162 Ų | 162 | 55.4 Ų | 55.4 | 76% | 0.757 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.4 | -40.2 | -178.9 | -177.6 | 177.3 | -177.6 | 0 | 0 | 112 | F609 I610 T611 | E607-F609 VanDerWaalsContact C-N 3.3Å; E607-F609 PolarHBondContact O-N 2.94Å; E607-I610 PolarHBondContact O-N 3.03Å; E607-T611 VanDerWaalsContact O-CB 3.3Å; E607-T611 WeakPolarHBondContact O-CB 3.41Å; E607-T611 PolarHBondContact O-N 3.42Å; E607-T611 PolarHBondContact O-OG1 2.9Å |
| 608 | S | 93.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.4 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | A606 A612 | A606-S608 VanDerWaalsContact C-N 3.28Å; A606-S608 PolarHBondContact O-N 3.4Å; S608-A612 VanDerWaalsContact O-CB 3.32Å; S608-A612 WeakPolarHBondContact O-CB 3.42Å; S608-A612 PolarHBondContact O-N 2.88Å; S608-A612 VanDerWaalsContact O-N 3.08Å |
| 609 | F | 96.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.4 | -49.1 | 175.3 | -175.4 | -91.4 | 0 | 0 | 0 | 111.5 | I603 A606 E607 T611 A612 T613 F628 T633 F636 K637 | I603-F609 HydrophobicContact CG2-CD2 3.63Å; I603-F609 HydrophobicContact CG2-CE2 3.95Å; I603-F609 HydrophobicContact CG2-CG 4.19Å; I603-F609 WeakPolarHBondContact O-CB 3.32Å; I603-F609 WeakPolarHBondContact O-CG 3.32Å; A606-F609 HydrophobicContact CB-CB 4.18Å; A606-F609 WeakPolarHBondContact O-CB 3.48Å; A606-F609 PolarHBondContact O-N 2.86Å; E607-F609 VanDerWaalsContact C-N 3.3Å; E607-F609 PolarHBondContact O-N 2.94Å; F609-T611 VanDerWaalsContact C-N 3.28Å; F609-T611 PolarHBondContact O-N 3Å; F609-A612 PolarHBondContact O-N 3.44Å; F609-T613 HydrophobicContact CD1-CG2 4.04Å; F609-T613 HydrophobicContact CE1-CG2 3.75Å; F609-T613 HydrophobicContact CZ-CG2 4.22Å; F609-T613 VanDerWaalsContact O-CG2 3.3Å; F609-T613 WeakPolarHBondContact O-CG2 3.44Å; F609-T613 PolarHBondContact O-N 3.11Å; F609-F628 HydrophobicContact CB-CD2 3.88Å; F609-F628 HydrophobicContact CB-CE2 3.89Å; F609-F628 HydrophobicContact CD2-CD1 4.08Å; F609-F628 HydrophobicContact CD2-CD2 4.19Å; F609-F628 HydrophobicContact CD2-CE1 4.13Å; F609-F628 HydrophobicContact CD2-CE2 4.25Å; F609-F628 HydrophobicContact CD2-CG 4.1Å; F609-F628 HydrophobicContact CD2-CZ 4.22Å; F609-T633 HydrophobicContact CD2-CG2 3.86Å; F609-T633 HydrophobicContact CE2-CG2 3.74Å; F609-T633 HydrophobicContact CG-CG2 4.49Å; F609-T633 HydrophobicContact CZ-CG2 4.26Å; F609-F636 HydrophobicContact CE1-CD1 4.39Å; F609-F636 HydrophobicContact CE2-CB 3.89Å; F609-F636 AromaticContact CE2-CD1 3.68Å; F609-F636 HydrophobicContact CE2-CD1 3.68Å; F609-F636 HydrophobicContact CE2-CE1 4.44Å; F609-F636 AromaticContact CE2-CG 3.78Å; F609-F636 HydrophobicContact CE2-CG 3.78Å; F609-F636 HydrophobicContact CZ-CB 4.08Å; F609-F636 AromaticContact CZ-CD1 3.45Å; F609-F636 HydrophobicContact CZ-CD1 3.45Å; F609-F636 VanDerWaalsContact CZ-CD1 3.45Å; F609-F636 HydrophobicContact CZ-CE1 4.23Å; F609-F636 AromaticContact CZ-CG 3.97Å; F609-F636 HydrophobicContact CZ-CG 3.97Å; F609-K637 HydrophobicContact CE1-CG 4.4Å; F609-K637 HydrophobicContact CZ-CG 4.19Å |
| 610 | I | 95.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 178.9 | -66.4 | 169.4 | 0 | 0 | 0 | 110.1 | A606 E607 T613 | A606-I610 WeakPolarHBondContact O-CG1 3.17Å; A606-I610 PolarHBondContact O-N 3.1Å; E607-I610 PolarHBondContact O-N 3.03Å; I610-T613 PolarHBondContact O-N 2.62Å; I610-T613 PolarHBondContact O-OG1 2.75Å |
| 611 | T | 94 | Very high | 92.6 | Very high | 73 Ų | 73 | 62.4 Ų | 62.4 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | E607 F609 T613 K614 | E607-T611 VanDerWaalsContact O-CB 3.3Å; E607-T611 WeakPolarHBondContact O-CB 3.41Å; E607-T611 PolarHBondContact O-N 3.42Å; E607-T611 PolarHBondContact O-OG1 2.9Å; F609-T611 VanDerWaalsContact C-N 3.28Å; F609-T611 PolarHBondContact O-N 3Å; T611-T613 PolarHBondContact O-N 3.36Å; T611-K614 PolarHBondContact O-N 2.93Å |
| 612 | A | 94.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -22.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S608 F609 F628 Y630 T633 | S608-A612 VanDerWaalsContact O-CB 3.32Å; S608-A612 WeakPolarHBondContact O-CB 3.42Å; S608-A612 PolarHBondContact O-N 2.88Å; S608-A612 VanDerWaalsContact O-N 3.08Å; F609-A612 PolarHBondContact O-N 3.44Å; A612-F628 HydrophobicContact CB-CB 3.7Å; A612-Y630 VanDerWaalsContact O-CD2 3.32Å; A612-Y630 WeakPolarHBondContact O-CD2 3.3Å; A612-T633 HydrophobicContact CB-CG2 3.71Å |
| 613 | T | 94 | Very high | 92.3 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.7 | 176.6 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | F609 I610 T611 Y630 T633 | F609-T613 HydrophobicContact CD1-CG2 4.04Å; F609-T613 HydrophobicContact CE1-CG2 3.75Å; F609-T613 HydrophobicContact CZ-CG2 4.22Å; F609-T613 VanDerWaalsContact O-CG2 3.3Å; F609-T613 WeakPolarHBondContact O-CG2 3.44Å; F609-T613 PolarHBondContact O-N 3.11Å; I610-T613 PolarHBondContact O-N 2.62Å; I610-T613 PolarHBondContact O-OG1 2.75Å; T611-T613 PolarHBondContact O-N 3.36Å; T613-Y630 WeakPolarHBondContact O-CE2 3.41Å; T613-T633 HydrophobicContact CG2-CG2 4.03Å; T613-T633 WeakPolarHBondContact CG2-OG1 3.48Å |
| 614 | K | 91.7 | Very high | 92 | Very high | 154 Ų | 154 | 67 Ų | 67 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -42.9 | -170.1 | -68.4 | 177.5 | -178.1 | 171.7 | 0 | 113.5 | T611 | T611-K614 PolarHBondContact O-N 2.93Š|
| 615 | K | 89.4 | Confident | 91.7 | Very high | 96 Ų | 96 | 70.2 Ų | 70.2 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | trans | -152.6 | 149.5 | -175.8 | 56.3 | 176.2 | -178.3 | 175.6 | 0 | 111.7 | Q617 S619 Y630 | K615-Q617 VanDerWaalsContact C-N 3.29Å; K615-Q617 VanDerWaalsContact CE-O 3.25Å; K615-Q617 WeakPolarHBondContact CE-O 3.43Å; K615-Q617 WeakPolarHBondContact CG-O 3.47Å; K615-Q617 PolarHBondContact O-N 3.46Å; K615-S619 PolarHBondContact NZ-OG 3.41Å; K615-Y630 VanDerWaalsContact C-CD2 3.46Å; K615-Y630 WeakPolarHBondContact O-CD2 3.21Å | ||
| 616 | P | 89.6 | Confident | 91.6 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 16% | 0.156 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -61.6 | -33.6 | 175.1 | -23.7 | 33.5 | 0 | 0 | 0 | 114.3 | Y392 I618 Y630 | Y392-P616 HydrophobicContact CE2-CB 3.83Å; P616-I618 PolarHBondContact O-N 3.26Å; P616-Y630 HydrophobicContact CB-CD1 4.01Å; P616-Y630 HydrophobicContact CB-CE1 4.31Å; P616-Y630 HydrophobicContact CB-CG 4.27Å; P616-Y630 HydrophobicContact CG-CD1 3.91Å; P616-Y630 HydrophobicContact CG-CE1 3.71Å; P616-Y630 HydrophobicContact CG-CE2 4.36Å; P616-Y630 HydrophobicContact CG-CG 4.32Å |
| 617 | Q | 90.8 | Very high | 91.6 | Very high | 50 Ų | 50 | 63.3 Ų | 63.3 | 23% | 0.234 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -78.7 | 115.3 | -178.1 | -171.1 | -173.5 | 8.9 | 0 | 0 | 110.9 | Y340 Y392 K615 | Y340-Q617 HydrophobicContact CD1-CG 3.86Å; Y340-Q617 HydrophobicContact CE1-CG 3.39Å; Y340-Q617 VanDerWaalsContact CG-NE2 3.33Å; Y340-Q617 VanDerWaalsContact CZ-NE2 3.31Å; Y392-Q617 HydrophobicContact CE2-CB 4.47Å; K615-Q617 VanDerWaalsContact C-N 3.29Å; K615-Q617 VanDerWaalsContact CE-O 3.25Å; K615-Q617 WeakPolarHBondContact CE-O 3.43Å; K615-Q617 WeakPolarHBondContact CG-O 3.47Å; K615-Q617 PolarHBondContact O-N 3.46Å |
| 618 | I | 88.3 | Confident | 91.7 | Very high | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | trans | -77.3 | 129.4 | 175.3 | -57.4 | 169.2 | 0 | 0 | 0 | 109.1 | Y340 V388 W442 P616 V620 L626 | Y340-I618 PolarHBondContact OH-O 3.03Å; V388-I618 HydrophobicContact CG1-CB 3.63Å; V388-I618 HydrophobicContact CG1-CG2 3.95Å; V388-I618 VanDerWaalsContact CG1-O 3.28Å; V388-I618 WeakPolarHBondContact CG1-O 3.47Å; W442-I618 HydrophobicContact CH2-CD1 3.8Å; W442-I618 HydrophobicContact CZ3-CD1 4.49Å; P616-I618 PolarHBondContact O-N 3.26Å; I618-V620 HydrophobicContact CG2-CB 4.46Å; I618-V620 HydrophobicContact CG2-CG1 3.77Å; I618-V620 HydrophobicContact CG2-CG2 4.01Å; I618-L626 HydrophobicContact CD1-CD2 4.43Å; I618-L626 HydrophobicContact CG2-CD2 3.66Å | ||
| 619 | S | 84.6 | Confident | 91.9 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | trans | -121.9 | 93.6 | 175.6 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | K615 | K615-S619 PolarHBondContact NZ-OG 3.41Š| ||
| 620 | V | 87 | Confident | 91.8 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | trans | -132.9 | 154.7 | -179.4 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | V384 V388 I618 D625 L626 | V384-V620 HydrophobicContact CG1-CG2 4.27Å; V388-V620 HydrophobicContact CG2-CG2 3.91Å; I618-V620 HydrophobicContact CG2-CB 4.46Å; I618-V620 HydrophobicContact CG2-CG1 3.77Å; I618-V620 HydrophobicContact CG2-CG2 4.01Å; V620-D625 HydrophobicContact CB-CB 4.08Å; V620-D625 HydrophobicContact CG1-CB 3.68Å; V620-L626 HydrophobicContact CG1-CD2 4.33Å; V620-L626 HydrophobicContact CG2-CD2 3.53Å; V620-L626 HydrophobicContact CG2-CG 3.97Å | ||
| 621 | Q | 86.3 | Confident | 91.9 | Very high | 158 Ų | 158 | 54.2 Ų | 54.2 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -107 | -32.1 | 176.4 | -62.4 | -63.3 | -18.4 | 0 | 0 | 112 | ||
| 622 | S | 91.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -103 | 152.5 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | D624 | S622-D624 PolarHBondContact O-N 3.5Å; S622-D624 PolarHBondContact OG-N 2.87Å; S622-D624 PolarHBondContact OG-OD2 3.43Å |
| 623 | T | 90.9 | Very high | 92.2 | Very high | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -69 | -21 | 167.8 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | V384 S439 Q493 D625 L626 | V384-T623 HydrophobicContact CB-CG2 4.46Å; V384-T623 HydrophobicContact CG1-CG2 3.9Å; V384-T623 HydrophobicContact CG2-CG2 3.74Å; S439-T623 WeakPolarHBondContact OG-CG2 3.44Å; Q493-T623 PolarHBondContact NE2-O 3.32Å; T623-D625 PolarHBondContact O-N 2.92Å; T623-L626 HydrophobicContact CG2-CD1 4.42Å; T623-L626 WeakPolarHBondContact O-CB 3.46Å; T623-L626 PolarHBondContact O-N 2.89Å |
| 624 | D | 90.1 | Very high | 92.3 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.1 | -176.5 | -54.5 | -35.1 | 0 | 0 | 0 | 112.4 | S622 L626 | S622-D624 PolarHBondContact O-N 3.5Å; S622-D624 PolarHBondContact OG-N 2.87Å; S622-D624 PolarHBondContact OG-OD2 3.43Å; D624-L626 VanDerWaalsContact C-N 3.26Å; D624-L626 PolarHBondContact O-N 3.15Å |
| 625 | D | 91.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 49.3 Ų | 49.3 | 52% | 0.524 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.6 | 178.2 | -55.8 | -39.6 | 0 | 0 | 0 | 112.8 | V620 T623 I627 | V620-D625 HydrophobicContact CB-CB 4.08Å; V620-D625 HydrophobicContact CG1-CB 3.68Å; T623-D625 PolarHBondContact O-N 2.92Å; D625-I627 PolarHBondContact O-N 3.4Å; D625-I627 VanDerWaalsContact O-N 3.11Å |
| 626 | L | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -82.3 | 89.5 | -178.7 | -63.1 | 172.9 | 0 | 0 | 0 | 110.4 | V388 W442 F443 Q493 I618 V620 T623 D624 | V388-L626 HydrophobicContact CG2-CD1 4.3Å; V388-L626 HydrophobicContact CG2-CD2 4.07Å; W442-L626 HydrophobicContact CD2-CB 4.15Å; W442-L626 HydrophobicContact CE3-CB 4.12Å; W442-L626 HydrophobicContact CE3-CD1 4.22Å; W442-L626 HydrophobicContact CH2-CB 4.25Å; W442-L626 HydrophobicContact CH2-CD2 4.12Å; W442-L626 HydrophobicContact CZ2-CB 4.23Å; W442-L626 HydrophobicContact CZ3-CB 4.18Å; W442-L626 HydrophobicContact CZ3-CD1 4.24Å; W442-L626 HydrophobicContact CZ3-CD2 4.09Å; W442-L626 HydrophobicContact CZ3-CG 4.42Å; W442-L626 PolarHBondContact NE1-O 2.83Å; F443-L626 HydrophobicContact CE1-CD1 4.39Å; F443-L626 HydrophobicContact CE2-CD1 3.74Å; F443-L626 HydrophobicContact CZ-CD1 3.54Å; Q493-L626 PolarHBondContact NE2-O 3.12Å; Q493-L626 VanDerWaalsContact NE2-O 3.11Å; I618-L626 HydrophobicContact CD1-CD2 4.43Å; I618-L626 HydrophobicContact CG2-CD2 3.66Å; V620-L626 HydrophobicContact CG1-CD2 4.33Å; V620-L626 HydrophobicContact CG2-CD2 3.53Å; V620-L626 HydrophobicContact CG2-CG 3.97Å; T623-L626 HydrophobicContact CG2-CD1 4.42Å; T623-L626 WeakPolarHBondContact O-CB 3.46Å; T623-L626 PolarHBondContact O-N 2.89Å; D624-L626 VanDerWaalsContact C-N 3.26Å; D624-L626 PolarHBondContact O-N 3.15Å | ||
| 627 | I | 95.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 11% | 0.108 | 25% | 0.245 | C | C | . | . | trans | -110.1 | -62.7 | -178.7 | -56.8 | 178.9 | 0 | 0 | 0 | 111.1 | W442 F492 M496 Q500 L555 D625 | W442-I627 PolarHBondContact NE1-O 3.15Å; F492-I627 HydrophobicContact CE1-CD1 3.85Å; F492-I627 HydrophobicContact CE1-CG1 3.99Å; F492-I627 HydrophobicContact CE1-CG2 4.33Å; F492-I627 HydrophobicContact CZ-CD1 4.22Å; F492-I627 HydrophobicContact CZ-CG1 4.47Å; F492-I627 HydrophobicContact CZ-CG2 4.02Å; M496-I627 HydrophobicContact CE-CG2 3.77Å; M496-I627 HydrophobicContact CG-CG2 4.32Å; Q500-I627 PolarHBondContact NE2-O 3.27Å; L555-I627 HydrophobicContact CD1-CG2 4.44Å; D625-I627 PolarHBondContact O-N 3.4Å; D625-I627 VanDerWaalsContact O-N 3.11Å | ||
| 628 | F | 96.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | trans | -109.5 | 141.3 | -174.9 | -72 | -73 | 0 | 0 | 0 | 113 | M496 L555 L559 I603 F609 A612 F632 T633 | M496-F628 HydrophobicContact CE-CD1 4.4Å; M496-F628 HydrophobicContact CE-CE1 3.62Å; M496-F628 HydrophobicContact CE-CE2 4.1Å; M496-F628 HydrophobicContact CE-CZ 3.44Å; M496-F628 VanDerWaalsContact CE-CZ 3.44Å; L555-F628 HydrophobicContact CD1-CE2 4.25Å; L555-F628 HydrophobicContact CD2-CE2 4.24Å; L555-F628 HydrophobicContact CD2-CZ 4.17Å; L559-F628 HydrophobicContact CD1-CE1 4.15Å; L559-F628 HydrophobicContact CD2-CE1 4.42Å; I603-F628 HydrophobicContact CG2-CE1 4.11Å; I603-F628 HydrophobicContact CG2-CZ 3.79Å; F609-F628 HydrophobicContact CB-CD2 3.88Å; F609-F628 HydrophobicContact CB-CE2 3.89Å; F609-F628 HydrophobicContact CD2-CD1 4.08Å; F609-F628 HydrophobicContact CD2-CD2 4.19Å; F609-F628 HydrophobicContact CD2-CE1 4.13Å; F609-F628 HydrophobicContact CD2-CE2 4.25Å; F609-F628 HydrophobicContact CD2-CG 4.1Å; F609-F628 HydrophobicContact CD2-CZ 4.22Å; A612-F628 HydrophobicContact CB-CB 3.7Å; F628-F632 HydrophobicContact CD1-CD1 4.04Å; F628-F632 HydrophobicContact CD1-CE1 4.22Å; F628-F632 HydrophobicContact CE1-CE1 4.24Å; F628-T633 HydrophobicContact CB-CG2 4Å | ||
| 629 | D | 97.3 | Very high | 94 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | trans | -88.3 | 141.7 | 169.4 | 169.5 | 77.2 | 0 | 0 | 0 | 111.6 | Q395 V446 H450 T631 F632 T633 | Q395-D629 PolarHBondContact NE2-OD1 3.32Å; V446-D629 HydrophobicContact CG1-CB 3.89Å; V446-D629 WeakPolarHBondContact CG1-OD1 3.31Å; V446-D629 HydrophobicContact CG2-CB 4.13Å; H450-D629 IonicContact CD2-OD1 2.62Å; H450-D629 IonicContact CE1-OD1 2.93Å; H450-D629 IonicContact NE2-OD1 3.66Å; H450-D629 PolarHBondContact NE2-OD1 2.93Å; H450-D629 IonicContact NE2-OD2 3.74Å; H450-D629 PolarHBondContact NE2-OD2 3.05Å; H450-D629 VanDerWaalsContact NE2-OD2 3.17Å; D629-T631 PolarHBondContact O-N 3Å; D629-T631 WeakPolarHBondContact OD2-CA 3.34Å; D629-T631 WeakPolarHBondContact OD2-CB 3.42Å; D629-T631 PolarHBondContact OD2-N 3.06Å; D629-F632 HydrophobicContact CB-CB 4.11Å; D629-F632 WeakPolarHBondContact O-CB 3.28Å; D629-F632 PolarHBondContact O-N 3.13Å; D629-F632 PolarHBondContact OD2-N 2.62Å; D629-T633 VanDerWaalsContact O-CG2 3.27Å; D629-T633 WeakPolarHBondContact O-CG2 3.27Å; D629-T633 PolarHBondContact O-N 3.26Å | ||
| 630 | Y | 96.2 | Very high | 94.5 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | -179.8 | 170.5 | -94.9 | 0 | 0 | 0 | 112.7 | A612 T613 K615 P616 F632 T633 R634 | A612-Y630 VanDerWaalsContact O-CD2 3.32Å; A612-Y630 WeakPolarHBondContact O-CD2 3.3Å; T613-Y630 WeakPolarHBondContact O-CE2 3.41Å; K615-Y630 VanDerWaalsContact C-CD2 3.46Å; K615-Y630 WeakPolarHBondContact O-CD2 3.21Å; P616-Y630 HydrophobicContact CB-CD1 4.01Å; P616-Y630 HydrophobicContact CB-CE1 4.31Å; P616-Y630 HydrophobicContact CB-CG 4.27Å; P616-Y630 HydrophobicContact CG-CD1 3.91Å; P616-Y630 HydrophobicContact CG-CE1 3.71Å; P616-Y630 HydrophobicContact CG-CE2 4.36Å; P616-Y630 HydrophobicContact CG-CG 4.32Å; Y630-F632 VanDerWaalsContact C-N 3.33Å; Y630-F632 PolarHBondContact O-N 3.18Å; Y630-T633 PolarHBondContact O-N 3.32Å; Y630-T633 PolarHBondContact O-OG1 3.26Å; Y630-R634 PolarHBondContact O-N 2.93Å |
| 631 | T | 96.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 17% | 0.172 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 179.8 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | H450 H453 D629 T633 R634 L635 | H450-T631 PolarHBondContact CE1-OG1 2.93Å; H453-T631 WeakPolarHBondContact CE1-CG2 3.44Å; H453-T631 WeakPolarHBondContact NE2-CG2 3.41Å; D629-T631 PolarHBondContact O-N 3Å; D629-T631 WeakPolarHBondContact OD2-CA 3.34Å; D629-T631 WeakPolarHBondContact OD2-CB 3.42Å; D629-T631 PolarHBondContact OD2-N 3.06Å; T631-T633 PolarHBondContact O-N 2.86Å; T631-R634 PolarHBondContact O-N 3.44Å; T631-L635 PolarHBondContact O-N 3.03Å; T631-L635 VanDerWaalsContact O-N 3.12Å |
| 632 | F | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 173 | -177.5 | -94.9 | 0 | 0 | 0 | 112.5 | L449 Q500 C503 L559 L562 F628 D629 Y630 R634 L635 F636 | L449-F632 HydrophobicContact CD1-CB 4.12Å; L449-F632 HydrophobicContact CD1-CD2 4.16Å; Q500-F632 HydrophobicContact CB-CD1 4.36Å; Q500-F632 HydrophobicContact CB-CD2 3.73Å; Q500-F632 HydrophobicContact CB-CE2 4.02Å; Q500-F632 HydrophobicContact CB-CG 3.91Å; Q500-F632 HydrophobicContact CB-CZ 4.45Å; Q500-F632 HydrophobicContact CG-CB 4.39Å; Q500-F632 HydrophobicContact CG-CD1 3.56Å; Q500-F632 HydrophobicContact CG-CD2 3.83Å; Q500-F632 HydrophobicContact CG-CE1 3.72Å; Q500-F632 HydrophobicContact CG-CE2 3.98Å; Q500-F632 HydrophobicContact CG-CG 3.61Å; Q500-F632 HydrophobicContact CG-CZ 3.92Å; C503-F632 HydrophobicContact CB-CE2 3.79Å; C503-F632 HydrophobicContact CB-CZ 4.31Å; L559-F632 HydrophobicContact CD2-CE1 3.67Å; L559-F632 HydrophobicContact CD2-CZ 3.54Å; L562-F632 HydrophobicContact CD2-CZ 4.33Å; F628-F632 HydrophobicContact CD1-CD1 4.04Å; F628-F632 HydrophobicContact CD1-CE1 4.22Å; F628-F632 HydrophobicContact CE1-CE1 4.24Å; D629-F632 HydrophobicContact CB-CB 4.11Å; D629-F632 WeakPolarHBondContact O-CB 3.28Å; D629-F632 PolarHBondContact O-N 3.13Å; D629-F632 PolarHBondContact OD2-N 2.62Å; Y630-F632 VanDerWaalsContact C-N 3.33Å; Y630-F632 PolarHBondContact O-N 3.18Å; F632-R634 VanDerWaalsContact C-N 3.26Å; F632-R634 PolarHBondContact O-N 3.11Å; F632-L635 HydrophobicContact CD2-CD2 4.27Å; F632-L635 HydrophobicContact CE2-CD2 4.46Å; F632-L635 CarbonylContact O-C 3.56Å; F632-L635 WeakPolarHBondContact O-CA 3.4Å; F632-L635 WeakPolarHBondContact O-CB 3.29Å; F632-L635 PolarHBondContact O-N 2.74Å; F632-L635 VanDerWaalsContact O-N 3.08Å; F632-F636 HydrophobicContact CD1-CB 4.48Å; F632-F636 HydrophobicContact CE1-CB 4.04Å; F632-F636 HydrophobicContact CE1-CD2 4.2Å; F632-F636 HydrophobicContact CZ-CB 4.42Å; F632-F636 HydrophobicContact CZ-CD2 4.36Å; F632-F636 WeakPolarHBondContact O-CB 3.47Å; F632-F636 PolarHBondContact O-N 2.93Å |
| 633 | T | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 179.1 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | F609 A612 T613 F628 D629 Y630 T631 K637 | F609-T633 HydrophobicContact CD2-CG2 3.86Å; F609-T633 HydrophobicContact CE2-CG2 3.74Å; F609-T633 HydrophobicContact CG-CG2 4.49Å; F609-T633 HydrophobicContact CZ-CG2 4.26Å; A612-T633 HydrophobicContact CB-CG2 3.71Å; T613-T633 HydrophobicContact CG2-CG2 4.03Å; T613-T633 WeakPolarHBondContact CG2-OG1 3.48Å; F628-T633 HydrophobicContact CB-CG2 4Å; D629-T633 VanDerWaalsContact O-CG2 3.27Å; D629-T633 WeakPolarHBondContact O-CG2 3.27Å; D629-T633 PolarHBondContact O-N 3.26Å; Y630-T633 PolarHBondContact O-N 3.32Å; Y630-T633 PolarHBondContact O-OG1 3.26Å; T631-T633 PolarHBondContact O-N 2.86Å; T633-K637 PolarHBondContact O-N 3.38Å; T633-K637 VanDerWaalsContact O-N 3.1Å |
| 634 | R | 96.3 | Very high | 95.3 | Very high | 168 Ų | 168 | 47.7 Ų | 47.7 | 63% | 0.634 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -69.4 | -41.3 | 174 | -65 | -174 | 69.5 | -159 | 2.5 | 111.7 | Y630 T631 F632 R638 | Y630-R634 PolarHBondContact O-N 2.93Å; T631-R634 PolarHBondContact O-N 3.44Å; F632-R634 VanDerWaalsContact C-N 3.26Å; F632-R634 PolarHBondContact O-N 3.11Å; R634-R638 PolarHBondContact O-N 3.34Å |
| 635 | L | 97.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 173.7 | 173.3 | 62.8 | 0 | 0 | 0 | 110.9 | T504 T507 T631 F632 K637 R638 L639 | T504-L635 HydrophobicContact CG2-CD2 4.1Å; T504-L635 WeakPolarHBondContact OG1-CD2 3.4Å; T507-L635 HydrophobicContact CG2-CD1 4Å; T631-L635 PolarHBondContact O-N 3.03Å; T631-L635 VanDerWaalsContact O-N 3.12Å; F632-L635 HydrophobicContact CD2-CD2 4.27Å; F632-L635 HydrophobicContact CE2-CD2 4.46Å; F632-L635 CarbonylContact O-C 3.56Å; F632-L635 WeakPolarHBondContact O-CA 3.4Å; F632-L635 WeakPolarHBondContact O-CB 3.29Å; F632-L635 PolarHBondContact O-N 2.74Å; F632-L635 VanDerWaalsContact O-N 3.08Å; L635-K637 PolarHBondContact O-N 2.97Å; L635-R638 VanDerWaalsContact CD1-NH2 3.25Å; L635-R638 WeakPolarHBondContact O-CB 3.47Å; L635-R638 PolarHBondContact O-N 2.85Å; L635-L639 HydrophobicContact CD1-CD1 3.81Å; L635-L639 HydrophobicContact CD1-CG 4Å; L635-L639 HydrophobicContact CD2-CD1 4.35Å; L635-L639 HydrophobicContact CG-CD1 3.72Å; L635-L639 HydrophobicContact CG-CG 4.33Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3Å |
| 636 | F | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.1 | -51.8 | 178 | -179.9 | -84.2 | 0 | 0 | 0 | 111.2 | L559 L562 L600 I603 F609 F632 R638 L639 E640 | L559-F636 HydrophobicContact CD2-CD2 4.32Å; L559-F636 HydrophobicContact CD2-CE2 4.47Å; L562-F636 HydrophobicContact CD2-CD2 3.52Å; L562-F636 HydrophobicContact CD2-CE2 3.8Å; L600-F636 HydrophobicContact CB-CZ 4.28Å; L600-F636 HydrophobicContact CD2-CE2 4.06Å; L600-F636 HydrophobicContact CD2-CZ 4.11Å; L600-F636 WeakPolarHBondContact O-CZ 3.5Å; I603-F636 HydrophobicContact CB-CE1 4.22Å; I603-F636 HydrophobicContact CB-CE2 3.9Å; I603-F636 HydrophobicContact CB-CZ 3.58Å; I603-F636 HydrophobicContact CD1-CE2 3.57Å; I603-F636 HydrophobicContact CD1-CZ 4.01Å; I603-F636 HydrophobicContact CG1-CE2 4.35Å; I603-F636 HydrophobicContact CG1-CZ 4.39Å; I603-F636 HydrophobicContact CG2-CD1 4.34Å; I603-F636 HydrophobicContact CG2-CD2 4.06Å; I603-F636 HydrophobicContact CG2-CE1 3.94Å; I603-F636 HydrophobicContact CG2-CE2 3.64Å; I603-F636 HydrophobicContact CG2-CG 4.42Å; I603-F636 HydrophobicContact CG2-CZ 3.58Å; F609-F636 HydrophobicContact CE1-CD1 4.39Å; F609-F636 HydrophobicContact CE2-CB 3.89Å; F609-F636 AromaticContact CE2-CD1 3.68Å; F609-F636 HydrophobicContact CE2-CD1 3.68Å; F609-F636 HydrophobicContact CE2-CE1 4.44Å; F609-F636 AromaticContact CE2-CG 3.78Å; F609-F636 HydrophobicContact CE2-CG 3.78Å; F609-F636 HydrophobicContact CZ-CB 4.08Å; F609-F636 AromaticContact CZ-CD1 3.45Å; F609-F636 HydrophobicContact CZ-CD1 3.45Å; F609-F636 VanDerWaalsContact CZ-CD1 3.45Å; F609-F636 HydrophobicContact CZ-CE1 4.23Å; F609-F636 AromaticContact CZ-CG 3.97Å; F609-F636 HydrophobicContact CZ-CG 3.97Å; F632-F636 HydrophobicContact CD1-CB 4.48Å; F632-F636 HydrophobicContact CE1-CB 4.04Å; F632-F636 HydrophobicContact CE1-CD2 4.2Å; F632-F636 HydrophobicContact CZ-CB 4.42Å; F632-F636 HydrophobicContact CZ-CD2 4.36Å; F632-F636 WeakPolarHBondContact O-CB 3.47Å; F632-F636 PolarHBondContact O-N 2.93Å; F636-R638 VanDerWaalsContact C-N 3.26Å; F636-R638 PolarHBondContact O-N 2.79Å; F636-L639 CarbonylContact O-C 3.59Å; F636-L639 PolarHBondContact O-N 2.94Å; F636-E640 HydrophobicContact CD1-CB 4.37Å; F636-E640 HydrophobicContact CE1-CB 4.02Å; F636-E640 HydrophobicContact CE1-CG 4.26Å; F636-E640 HydrophobicContact CZ-CB 4.5Å; F636-E640 WeakPolarHBondContact O-CB 3.49Å; F636-E640 PolarHBondContact O-N 3.18Å |
| 637 | K | 97.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 44 Ų | 44 | 46% | 0.461 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 179.5 | -73.4 | -176.2 | 178.7 | -177.8 | 0 | 112.9 | F609 T633 L635 Y641 | F609-K637 HydrophobicContact CE1-CG 4.4Å; F609-K637 HydrophobicContact CZ-CG 4.19Å; T633-K637 PolarHBondContact O-N 3.38Å; T633-K637 VanDerWaalsContact O-N 3.1Å; L635-K637 PolarHBondContact O-N 2.97Å; K637-Y641 PolarHBondContact O-N 3.42Å |
| 638 | R | 96.3 | Very high | 93.5 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.3 | -48 | 173.7 | -176.5 | 180 | 71.5 | -165 | -2.5 | 111 | R634 L635 F636 Y641 E642 | R634-R638 PolarHBondContact O-N 3.34Å; L635-R638 VanDerWaalsContact CD1-NH2 3.25Å; L635-R638 WeakPolarHBondContact O-CB 3.47Å; L635-R638 PolarHBondContact O-N 2.85Å; F636-R638 VanDerWaalsContact C-N 3.26Å; F636-R638 PolarHBondContact O-N 2.79Å; R638-Y641 WeakPolarHBondContact O-CB 3.15Å; R638-Y641 PolarHBondContact O-N 2.94Å; R638-E642 WeakPolarHBondContact CG-OE1 3.5Å; R638-E642 IonicContact NE-OE1 2.7Å; R638-E642 WeakPolarHBondContact O-CG 3.41Å; R638-E642 PolarHBondContact O-N 3.1Å |
| 639 | L | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | -178.5 | -67.6 | 169.2 | 0 | 0 | 0 | 112.6 | T507 L562 I566 M569 Y570 L635 F636 Y641 E642 V643 | T507-L639 HydrophobicContact CG2-CD2 3.97Å; L562-L639 HydrophobicContact CD1-CB 3.94Å; L562-L639 HydrophobicContact CD1-CD1 4.47Å; L562-L639 HydrophobicContact CD2-CD1 4.25Å; I566-L639 HydrophobicContact CD1-CD1 3.84Å; I566-L639 HydrophobicContact CG1-CD1 4.35Å; I566-L639 HydrophobicContact CG1-CD2 4.39Å; M569-L639 HydrophobicContact CE-CD2 4.33Å; Y570-L639 HydrophobicContact CE2-CD2 4.09Å; L635-L639 HydrophobicContact CD1-CD1 3.81Å; L635-L639 HydrophobicContact CD1-CG 4Å; L635-L639 HydrophobicContact CD2-CD1 4.35Å; L635-L639 HydrophobicContact CG-CD1 3.72Å; L635-L639 HydrophobicContact CG-CG 4.33Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3Å; F636-L639 CarbonylContact O-C 3.59Å; F636-L639 PolarHBondContact O-N 2.94Å; L639-Y641 VanDerWaalsContact C-N 3.3Å; L639-Y641 PolarHBondContact O-N 3.42Å; L639-E642 PolarHBondContact O-N 3.33Å; L639-V643 WeakPolarHBondContact O-CB 3.42Å; L639-V643 VanDerWaalsContact O-CG2 3.26Å; L639-V643 WeakPolarHBondContact O-CG2 3.4Å; L639-V643 PolarHBondContact O-N 3.04Å |
| 640 | E | 95.8 | Very high | 89.3 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.7 | -47.9 | 174.4 | -177.6 | 179.6 | -149 | 0 | 0 | 110.1 | L600 S604 F636 V643 M644 | L600-E640 HydrophobicContact CB-CG 4.34Å; S604-E640 WeakPolarHBondContact CB-OE1 3.33Å; S604-E640 PolarHBondContact OG-OE1 3Å; F636-E640 HydrophobicContact CD1-CB 4.37Å; F636-E640 HydrophobicContact CE1-CB 4.02Å; F636-E640 HydrophobicContact CE1-CG 4.26Å; F636-E640 HydrophobicContact CZ-CB 4.5Å; F636-E640 WeakPolarHBondContact O-CB 3.49Å; F636-E640 PolarHBondContact O-N 3.18Å; E640-V643 PolarHBondContact O-N 3.03Å; E640-M644 WeakPolarHBondContact O-CG 3.29Å; E640-M644 PolarHBondContact O-N 3.35Å |
| 641 | Y | 94.4 | Very high | 86.7 | Confident | 144 Ų | 144 | 61.4 Ų | 61.4 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.7 | -47.3 | 173.8 | -179.9 | -89.6 | 0 | 0 | 0 | 112.5 | K637 R638 L639 V643 M644 H645 | K637-Y641 PolarHBondContact O-N 3.42Å; R638-Y641 WeakPolarHBondContact O-CB 3.15Å; R638-Y641 PolarHBondContact O-N 2.94Å; L639-Y641 VanDerWaalsContact C-N 3.3Å; L639-Y641 PolarHBondContact O-N 3.42Å; Y641-V643 VanDerWaalsContact C-N 3.34Å; Y641-V643 PolarHBondContact O-N 3.48Å; Y641-M644 PolarHBondContact O-N 2.89Å; Y641-H645 AromaticContact CD1-CE1 3.97Å; Y641-H645 AromaticContact CD1-ND1 3.76Å; Y641-H645 AromaticContact CD2-CE1 3.63Å; Y641-H645 AromaticContact CE1-CE1 3.48Å; Y641-H645 VanDerWaalsContact CE1-CE1 3.48Å; Y641-H645 WeakPolarHBondContact CE1-CE1 3.48Å; Y641-H645 AromaticContact CE1-ND1 3.58Å; Y641-H645 AromaticContact CE1-NE2 3.97Å; Y641-H645 AromaticContact CE2-CE1 3.13Å; Y641-H645 WeakPolarHBondContact CE2-CE1 3.45Å; Y641-H645 AromaticContact CE2-ND1 3.87Å; Y641-H645 AromaticContact CE2-NE2 3.88Å; Y641-H645 AromaticContact CG-ND1 3.96Å; Y641-H645 AromaticContact CZ-CE1 3.03Å; Y641-H645 AromaticContact CZ-ND1 3.64Å; Y641-H645 AromaticContact CZ-NE2 3.44Å; Y641-H645 PolarHBondContact O-N 3.23Å; Y641-H645 VanDerWaalsContact O-N 3.14Å; Y641-H645 PolarHBondContact O-ND1 3.45Å; Y641-H645 PolarHBondContact OH-CE1 3.36Å; Y641-H645 PolarHBondContact OH-NE2 3Å |
| 642 | E | 94.1 | Very high | 84.1 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -38 | 178.8 | -71.9 | 174.8 | -163.2 | 0 | 0 | 112.5 | M569 Y570 R638 L639 H645 T646 | M569-E642 HydrophobicContact CE-CB 3.37Å; M569-E642 HydrophobicContact CE-CG 4.28Å; M569-E642 WeakPolarHBondContact CE-OE2 3.4Å; Y570-E642 PolarHBondContact OH-OE2 3.16Å; R638-E642 WeakPolarHBondContact CG-OE1 3.5Å; R638-E642 IonicContact NE-OE1 2.7Å; R638-E642 WeakPolarHBondContact O-CG 3.41Å; R638-E642 PolarHBondContact O-N 3.1Å; L639-E642 PolarHBondContact O-N 3.33Å; E642-H645 PolarHBondContact O-N 3.41Å; E642-T646 WeakPolarHBondContact O-CB 3.44Å; E642-T646 PolarHBondContact O-N 3.04Å; E642-T646 PolarHBondContact O-OG1 3.06Å |
| 643 | V | 93.3 | Very high | 82 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | L562 C565 M569 I596 L600 L639 E640 Y641 H645 T646 F647 | L562-V643 HydrophobicContact CD1-CG2 4.27Å; C565-V643 HydrophobicContact CB-CG1 4.35Å; C565-V643 HydrophobicContact CB-CG2 3.78Å; M569-V643 HydrophobicContact SD-CB 4.49Å; M569-V643 HydrophobicContact SD-CG2 3.43Å; M569-V643 WeakPolarHBondContact SD-CG2 3.45Å; I596-V643 HydrophobicContact CG2-CG1 4.04Å; L600-V643 HydrophobicContact CD1-CB 3.97Å; L600-V643 HydrophobicContact CD1-CG1 3.66Å; L600-V643 HydrophobicContact CD1-CG2 4.33Å; L639-V643 WeakPolarHBondContact O-CB 3.42Å; L639-V643 VanDerWaalsContact O-CG2 3.26Å; L639-V643 WeakPolarHBondContact O-CG2 3.4Å; L639-V643 PolarHBondContact O-N 3.04Å; E640-V643 PolarHBondContact O-N 3.03Å; Y641-V643 VanDerWaalsContact C-N 3.34Å; Y641-V643 PolarHBondContact O-N 3.48Å; V643-H645 VanDerWaalsContact C-N 3.26Å; V643-H645 PolarHBondContact O-N 3.38Å; V643-T646 PolarHBondContact O-N 3.02Å; V643-T646 VanDerWaalsContact O-N 3.1Å; V643-F647 HydrophobicContact CG1-CD2 3.7Å; V643-F647 HydrophobicContact CG1-CE2 4.02Å; V643-F647 WeakPolarHBondContact O-CD2 3.49Å; V643-F647 PolarHBondContact O-N 3.36Å |
| 644 | M | 90.4 | Very high | 79.1 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 37% | 0.365 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.6 | -46.1 | 176.7 | -73.4 | 177.9 | 75.3 | 0 | 0 | 111.6 | L597 E640 Y641 Q648 | L597-M644 HydrophobicContact CD2-CB 4.48Å; L597-M644 HydrophobicContact CD2-CG 3.69Å; E640-M644 WeakPolarHBondContact O-CG 3.29Å; E640-M644 PolarHBondContact O-N 3.35Å; Y641-M644 PolarHBondContact O-N 2.89Å; M644-Q648 WeakPolarHBondContact O-CB 3.43Å; M644-Q648 VanDerWaalsContact O-CG 3.25Å; M644-Q648 WeakPolarHBondContact O-CG 3.34Å; M644-Q648 PolarHBondContact O-N 3.13Å |
| 645 | H | 88.5 | Confident | 76.1 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 179.7 | -72.8 | 69.5 | 0 | 0 | 0 | 113 | Y641 E642 V643 S649 | Y641-H645 AromaticContact CD1-CE1 3.97Å; Y641-H645 AromaticContact CD1-ND1 3.76Å; Y641-H645 AromaticContact CD2-CE1 3.63Å; Y641-H645 AromaticContact CE1-CE1 3.48Å; Y641-H645 VanDerWaalsContact CE1-CE1 3.48Å; Y641-H645 WeakPolarHBondContact CE1-CE1 3.48Å; Y641-H645 AromaticContact CE1-ND1 3.58Å; Y641-H645 AromaticContact CE1-NE2 3.97Å; Y641-H645 AromaticContact CE2-CE1 3.13Å; Y641-H645 WeakPolarHBondContact CE2-CE1 3.45Å; Y641-H645 AromaticContact CE2-ND1 3.87Å; Y641-H645 AromaticContact CE2-NE2 3.88Å; Y641-H645 AromaticContact CG-ND1 3.96Å; Y641-H645 AromaticContact CZ-CE1 3.03Å; Y641-H645 AromaticContact CZ-ND1 3.64Å; Y641-H645 AromaticContact CZ-NE2 3.44Å; Y641-H645 PolarHBondContact O-N 3.23Å; Y641-H645 VanDerWaalsContact O-N 3.14Å; Y641-H645 PolarHBondContact O-ND1 3.45Å; Y641-H645 PolarHBondContact OH-CE1 3.36Å; Y641-H645 PolarHBondContact OH-NE2 3Å; E642-H645 PolarHBondContact O-N 3.41Å; V643-H645 VanDerWaalsContact C-N 3.26Å; V643-H645 PolarHBondContact O-N 3.38Å; H645-S649 PolarHBondContact O-OG 3.04Å |
| 646 | T | 86.4 | Confident | 72.9 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.6 | -34 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | M569 E642 V643 | M569-T646 HydrophobicContact CG-CG2 4.41Å; E642-T646 WeakPolarHBondContact O-CB 3.44Å; E642-T646 PolarHBondContact O-N 3.04Å; E642-T646 PolarHBondContact O-OG1 3.06Å; V643-T646 PolarHBondContact O-N 3.02Å; V643-T646 VanDerWaalsContact O-N 3.1Å |
| 647 | F | 82.5 | Confident | 69.7 | Low | 3 Ų | 3 | 86.5 Ų | 86.5 | 1% | 0.013 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -99.9 | -16.4 | -174.8 | -72.6 | -98.4 | 0 | 0 | 0 | 114.3 | C565 Y584 L587 I593 I596 V643 | C565-F647 HydrophobicContact CB-CE2 4.16Å; C565-F647 HydrophobicContact CB-CZ 4.38Å; Y584-F647 HydrophobicContact CD2-CD1 4Å; Y584-F647 AromaticContact CD2-CE1 3.81Å; Y584-F647 HydrophobicContact CD2-CE1 3.81Å; Y584-F647 HydrophobicContact CD2-CZ 4.36Å; Y584-F647 HydrophobicContact CE2-CB 4.46Å; Y584-F647 AromaticContact CE2-CD1 3.45Å; Y584-F647 HydrophobicContact CE2-CD1 3.45Å; Y584-F647 VanDerWaalsContact CE2-CD1 3.45Å; Y584-F647 AromaticContact CE2-CE1 3.77Å; Y584-F647 HydrophobicContact CE2-CE1 3.77Å; Y584-F647 AromaticContact CE2-CG 3.95Å; Y584-F647 HydrophobicContact CE2-CG 3.95Å; Y584-F647 PolarHBondContact OH-O 2.85Å; L587-F647 HydrophobicContact CB-CE1 4.39Å; L587-F647 HydrophobicContact CD1-CE1 4.16Å; L587-F647 HydrophobicContact CD1-CZ 3.96Å; I593-F647 HydrophobicContact CG1-CD1 4.41Å; I593-F647 HydrophobicContact CG2-CB 4.08Å; I596-F647 HydrophobicContact CD1-CD1 4.26Å; I596-F647 HydrophobicContact CD1-CE1 4.06Å; V643-F647 HydrophobicContact CG1-CD2 3.7Å; V643-F647 HydrophobicContact CG1-CE2 4.02Å; V643-F647 WeakPolarHBondContact O-CD2 3.49Å; V643-F647 PolarHBondContact O-N 3.36Å |
| 648 | Q | 74.9 | Confident | 66.7 | Low | 108 Ų | 108 | 86.3 Ų | 86.3 | 51% | 0.505 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -93.1 | -7.1 | 174.8 | -66 | 177.9 | -10.9 | 0 | 0 | 113.9 | L597 M644 D650 | L597-Q648 HydrophobicContact CD1-CG 4.28Å; L597-Q648 VanDerWaalsContact CD1-NE2 3.26Å; M644-Q648 WeakPolarHBondContact O-CB 3.43Å; M644-Q648 VanDerWaalsContact O-CG 3.25Å; M644-Q648 WeakPolarHBondContact O-CG 3.34Å; M644-Q648 PolarHBondContact O-N 3.13Å; Q648-D650 VanDerWaalsContact C-N 3.33Å; Q648-D650 PolarHBondContact O-N 3.27Å |
| 649 | S | 60.5 | Low | 63.4 | Low | 57 Ų | 57 | 87.1 Ų | 87.1 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | trans | -79.2 | 79.9 | 179.7 | 33.6 | 0 | 0 | 0 | 0 | 112.2 | H645 S651 | H645-S649 PolarHBondContact O-OG 3.04Å; S649-S651 PolarHBondContact O-N 3.28Å | ||
| 650 | D | 45.5 | Very low | 60.5 | Low | 159 Ų | 159 | 94.1 Ų | 94.1 | 85% | 0.85 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 110.2 | 163.5 | -99.6 | -28.5 | 0 | 0 | 0 | 110 | Q648 | Q648-D650 VanDerWaalsContact C-N 3.33Å; Q648-D650 PolarHBondContact O-N 3.27Å |
| 651 | S | 40.4 | Very low | 57.3 | Low | 122 Ų | 122 | 96.8 Ų | 96.8 | 85% | 0.853 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.7 | -10.7 | 149.5 | 65.3 | 0 | 0 | 0 | 0 | 118.6 | S649 | S649-S651 PolarHBondContact O-N 3.28Š|
| 652 | S | 42.4 | Very low | 54.4 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -105.3 | -17 | -175.4 | 63.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 653 | I | 53.3 | Low | 51.6 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 38% | 0.379 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -89 | -12.6 | -177 | -67.5 | 173.8 | 0 | 0 | 0 | 113 | ||
| 654 | N | 38.1 | Very low | 48.7 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | trans | -111.3 | 59 | -179.5 | -75.8 | -31.2 | 0 | 0 | 0 | 112.7 | ||||
| 655 | G | 31.9 | Very low | 46 | Very low | 66 Ų | 66 | 110.6 Ų | 110.6 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | trans | -69.7 | 125.1 | 159 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 656 | V | 29.8 | Very low | 43.6 | Very low | 133 Ų | 133 | 115.2 Ų | 115.2 | 81% | 0.806 | 67% | 0.665 | S | S | * | * | trans | 94.7 | 76.6 | 179.2 | -163.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 657 | R | 32.7 | Very low | 41.1 | Very low | 247 Ų | 247 | 121.8 Ų | 121.8 | 93% | 0.932 | 69% | 0.693 | S | S | * | * | trans | -128.8 | 92.7 | 136.5 | -77.8 | -169.5 | 179.2 | 174.9 | 3 | 110 | ||||
| 658 | S | 32.4 | Very low | 38.8 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -64.9 | 131.7 | 164.1 | -74.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 659 | C | 27.4 | Very low | 37 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | 56.6 | 111.3 | 140.9 | -53.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 660 | T | 35.3 | Very low | 35.9 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | -172 | 132.4 | 104 | 26 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 661 | S | 29.5 | Very low | 35.6 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -37.4 | 141.2 | 172 | 172.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 662 | F | 34.3 | Very low | 35.8 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | 174.5 | 121.4 | 113.8 | -90.1 | -68.8 | 0 | 0 | 0 | 112.1 | |||||
| 663 | G | 33.9 | Very low | 35.8 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 98.1 | 77.6 | 133.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 664 | N | 32.9 | Very low | 35.9 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 43 | 114.8 | 128.6 | -77.7 | -0.5 | 0 | 0 | 0 | 121.8 | |||||
| 665 | N | 34.3 | Very low | 36.6 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 135.9 | 97.2 | 116.8 | -75 | -22.1 | 0 | 0 | 0 | 113.8 | |||||
| 666 | H | 37.3 | Very low | 37.8 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | -170.7 | 121.2 | 116.7 | -102.6 | -53.3 | 0 | 0 | 0 | 111.7 | |||||
| 667 | Q | 34.1 | Very low | 39 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | -77.1 | 133.4 | 174.6 | -64.6 | 168 | 1.1 | 0 | 0 | 110.1 | ||||
| 668 | N | 33.1 | Very low | 40.4 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | 162.6 | 86.9 | 127.9 | -84.6 | -18.3 | 0 | 0 | 0 | 112.7 | |||||
| 669 | S | 38.6 | Very low | 42 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | -172.1 | 129.2 | 148.1 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 670 | K | 36 | Very low | 44 | Very low | 201 Ų | 201 | 123.8 Ų | 123.8 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -52 | 134.2 | -175 | -69.4 | 170.2 | 173.8 | 175.6 | 0 | 112.6 | ||
| 671 | P | 39.3 | Very low | 45.6 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -81 | 127.1 | 172.6 | 31.5 | -28.7 | 0 | 0 | 0 | 110.1 | ||
| 672 | V | 44.5 | Very low | 47.7 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 131.7 | 165.7 | 174.8 | 0 | 0 | 0 | 0 | 107.7 | P674 | V672-P674 WeakPolarHBondContact O-CD 3.27Š|
| 673 | D | 43.4 | Very low | 49.8 | Very low | 101 Ų | 101 | 122 Ų | 122 | 54% | 0.54 | 67% | 0.668 | S | S | . | * | trans | -60.3 | 114.1 | -173.6 | -125.4 | -28.2 | 0 | 0 | 0 | 111.7 | T675 I676 | D673-T675 PolarHBondContact O-N 3.25Å; D673-T675 VanDerWaalsContact O-N 3.08Å; D673-T675 PolarHBondContact OD1-OG1 3.48Å; D673-I676 HydrophobicContact CB-CD1 4.33Å; D673-I676 HydrophobicContact CB-CG1 4.42Å; D673-I676 PolarHBondContact O-N 3.28Å | ||
| 674 | P | 54.5 | Low | 51.7 | Low | 95 Ų | 95 | 126.4 Ų | 126.4 | 62% | 0.617 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.9 | -9 | -176.2 | 25.1 | -32.1 | 0 | 0 | 0 | 113.9 | V672 T678 | V672-P674 WeakPolarHBondContact O-CD 3.27Å; P674-T678 PolarHBondContact O-OG1 2.96Å |
| 675 | T | 54.5 | Low | 53.9 | Low | 78 Ų | 78 | 123.9 Ų | 123.9 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -77.8 | -29.3 | 176.1 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | D673 T678 L679 | D673-T675 PolarHBondContact O-N 3.25Å; D673-T675 VanDerWaalsContact O-N 3.08Å; D673-T675 PolarHBondContact OD1-OG1 3.48Å; T675-T678 WeakPolarHBondContact CA-OG1 3.33Å; T675-T678 PolarHBondContact O-OG1 3.32Å; T675-L679 WeakPolarHBondContact O-CB 3.42Å; T675-L679 WeakPolarHBondContact O-CD1 3.36Å; T675-L679 PolarHBondContact O-N 3.06Å |
| 676 | I | 56.2 | Low | 56.1 | Low | 112 Ų | 112 | 122.9 Ų | 122.9 | 57% | 0.574 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.8 | -38.8 | -180 | -61.9 | 176.6 | 0 | 0 | 0 | 110.7 | D673 S680 | D673-I676 HydrophobicContact CB-CD1 4.33Å; D673-I676 HydrophobicContact CB-CG1 4.42Å; D673-I676 PolarHBondContact O-N 3.28Å; I676-S680 WeakPolarHBondContact O-CB 3.44Å; I676-S680 PolarHBondContact O-N 3.47Å; I676-S680 PolarHBondContact O-OG 2.7Å |
| 677 | T | 54.2 | Low | 58.4 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66 | -41.4 | 179 | -48.3 | 0 | 0 | 0 | 0 | 111.9 | S680 Q681 | T677-S680 WeakPolarHBondContact O-CB 3.31Å; T677-S680 PolarHBondContact O-N 3.22Å; T677-Q681 WeakPolarHBondContact O-CB 3.3Å; T677-Q681 PolarHBondContact O-N 3.21Å |
| 678 | T | 62.3 | Low | 60.6 | Low | 78 Ų | 78 | 116 Ų | 116 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.5 | -40 | 178.6 | 31.8 | 0 | 0 | 0 | 0 | 113.1 | P674 T675 S680 Q681 Q682 | P674-T678 PolarHBondContact O-OG1 2.96Å; T675-T678 WeakPolarHBondContact CA-OG1 3.33Å; T675-T678 PolarHBondContact O-OG1 3.32Å; T678-S680 VanDerWaalsContact C-N 3.29Å; T678-S680 PolarHBondContact O-N 3.06Å; T678-Q681 PolarHBondContact O-N 3.35Å; T678-Q682 PolarHBondContact O-N 3.37Å; T678-Q682 VanDerWaalsContact O-N 3.08Å |
| 679 | L | 66.7 | Low | 63 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -30.4 | 173.4 | -94.7 | 145.8 | 0 | 0 | 0 | 112.9 | T675 K683 | T675-L679 WeakPolarHBondContact O-CB 3.42Å; T675-L679 WeakPolarHBondContact O-CD1 3.36Å; T675-L679 PolarHBondContact O-N 3.06Å; L679-K683 PolarHBondContact O-N 2.91Å |
| 680 | S | 68.5 | Low | 65.2 | Low | 51 Ų | 51 | 113.7 Ų | 113.7 | 36% | 0.357 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.2 | -46.1 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | I676 T677 T678 K683 Y684 | I676-S680 WeakPolarHBondContact O-CB 3.44Å; I676-S680 PolarHBondContact O-N 3.47Å; I676-S680 PolarHBondContact O-OG 2.7Å; T677-S680 WeakPolarHBondContact O-CB 3.31Å; T677-S680 PolarHBondContact O-N 3.22Å; T678-S680 VanDerWaalsContact C-N 3.29Å; T678-S680 PolarHBondContact O-N 3.06Å; S680-K683 WeakPolarHBondContact O-CB 3.32Å; S680-K683 PolarHBondContact O-N 3.36Å; S680-Y684 WeakPolarHBondContact O-CD2 3.46Å; S680-Y684 PolarHBondContact O-N 3.11Å; S680-Y684 VanDerWaalsContact O-N 3.13Å |
| 681 | Q | 69.6 | Low | 67.4 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 55% | 0.547 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.8 | -45.1 | -178.9 | -143.1 | 165.8 | 7 | 0 | 0 | 111.6 | T677 T678 K683 Y684 D685 | T677-Q681 WeakPolarHBondContact O-CB 3.3Å; T677-Q681 PolarHBondContact O-N 3.21Å; T678-Q681 PolarHBondContact O-N 3.35Å; Q681-K683 VanDerWaalsContact C-N 3.3Å; Q681-K683 PolarHBondContact O-N 2.9Å; Q681-Y684 PolarHBondContact O-N 2.89Å; Q681-D685 VanDerWaalsContact O-CG 3.32Å; Q681-D685 PolarHBondContact O-N 3.1Å |
| 682 | Q | 74 | Confident | 69.5 | Low | 131 Ų | 131 | 109 Ų | 109 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.1 | -37.3 | 174 | -82.8 | -174.3 | -22.7 | 0 | 0 | 113.4 | T678 E686 | T678-Q682 PolarHBondContact O-N 3.37Å; T678-Q682 VanDerWaalsContact O-N 3.08Å; Q682-E686 WeakPolarHBondContact O-CB 3.43Å; Q682-E686 PolarHBondContact O-N 3Å |
| 683 | K | 77.2 | Confident | 71.6 | Confident | 156 Ų | 156 | 107.9 Ų | 107.9 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.6 | -36.7 | 175.1 | -92.6 | -175.2 | 175 | 179.8 | 0 | 112.6 | L679 S680 Q681 K687 | L679-K683 PolarHBondContact O-N 2.91Å; S680-K683 WeakPolarHBondContact O-CB 3.32Å; S680-K683 PolarHBondContact O-N 3.36Å; Q681-K683 VanDerWaalsContact C-N 3.3Å; Q681-K683 PolarHBondContact O-N 2.9Å; K683-K687 WeakPolarHBondContact O-CB 3.26Å; K683-K687 PolarHBondContact O-N 2.88Å |
| 684 | Y | 74.2 | Confident | 73.6 | Confident | 162 Ų | 162 | 108.5 Ų | 108.5 | 64% | 0.635 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.7 | -42 | 176 | -76.7 | -66.9 | 0 | 0 | 0 | 111.6 | S680 Q681 K687 L688 | S680-Y684 WeakPolarHBondContact O-CD2 3.46Å; S680-Y684 PolarHBondContact O-N 3.11Å; S680-Y684 VanDerWaalsContact O-N 3.13Å; Q681-Y684 PolarHBondContact O-N 2.89Å; Y684-K687 PolarHBondContact O-N 3.45Å; Y684-K687 VanDerWaalsContact O-N 3.12Å; Y684-L688 PolarHBondContact O-N 3.07Å |
| 685 | D | 78.9 | Confident | 75.1 | Confident | 95 Ų | 95 | 107.9 Ų | 107.9 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177 | -65.1 | -21.7 | 0 | 0 | 0 | 111.6 | Q681 K687 L688 A689 | Q681-D685 VanDerWaalsContact O-CG 3.32Å; Q681-D685 PolarHBondContact O-N 3.1Å; D685-K687 VanDerWaalsContact C-N 3.29Å; D685-K687 PolarHBondContact O-N 3.18Å; D685-L688 PolarHBondContact O-N 2.8Å; D685-A689 WeakPolarHBondContact O-CB 3.4Å; D685-A689 PolarHBondContact O-N 3.4Å |
| 686 | E | 82.1 | Confident | 76.6 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -36.3 | 172.6 | -84.7 | -167.1 | 172.3 | 0 | 0 | 112.6 | Q682 R690 | Q682-E686 WeakPolarHBondContact O-CB 3.43Å; Q682-E686 PolarHBondContact O-N 3Å; E686-R690 VanDerWaalsContact O-CG 3.32Å; E686-R690 WeakPolarHBondContact O-CG 3.44Å; E686-R690 PolarHBondContact O-N 3.46Å; E686-R690 VanDerWaalsContact O-N 3.11Å; E686-R690 IonicContact OE2-NH2 2.63Å; E686-R690 PolarHBondContact OE2-NH2 3.39Å |
| 687 | K | 83.7 | Confident | 78 | Confident | 128 Ų | 128 | 106.6 Ų | 106.6 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.3 | -42.3 | 179.3 | -166.3 | 177.7 | -179.9 | -173.5 | 0 | 111.2 | K683 Y684 D685 R690 Q691 | K683-K687 WeakPolarHBondContact O-CB 3.26Å; K683-K687 PolarHBondContact O-N 2.88Å; Y684-K687 PolarHBondContact O-N 3.45Å; Y684-K687 VanDerWaalsContact O-N 3.12Å; D685-K687 VanDerWaalsContact C-N 3.29Å; D685-K687 PolarHBondContact O-N 3.18Å; K687-R690 PolarHBondContact O-N 2.99Å; K687-Q691 WeakPolarHBondContact O-CG 3.35Å; K687-Q691 PolarHBondContact O-N 3.45Å |
| 688 | L | 80.9 | Confident | 79.5 | Confident | 94 Ų | 94 | 107.2 Ų | 107.2 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 174 | -82 | 162.4 | 0 | 0 | 0 | 111.2 | Y684 D685 R690 Q691 E692 | Y684-L688 PolarHBondContact O-N 3.07Å; D685-L688 PolarHBondContact O-N 2.8Å; L688-R690 VanDerWaalsContact C-N 3.3Å; L688-R690 PolarHBondContact O-N 2.68Å; L688-Q691 PolarHBondContact O-N 2.89Å; L688-Q691 VanDerWaalsContact O-N 3.11Å; L688-E692 WeakPolarHBondContact O-CG 3.37Å; L688-E692 PolarHBondContact O-N 3.11Å |
| 689 | A | 83.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 112 Ų | 112 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D685 N693 | D685-A689 WeakPolarHBondContact O-CB 3.4Å; D685-A689 PolarHBondContact O-N 3.4Å; A689-N693 WeakPolarHBondContact O-CB 3.3Å; A689-N693 PolarHBondContact O-N 3.08Å |
| 690 | R | 84.9 | Confident | 81.5 | Confident | 173 Ų | 173 | 112.3 Ų | 112.3 | 65% | 0.653 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 173.6 | -75.1 | 178.4 | -166 | 166.3 | 12.3 | 112 | E686 K687 L688 N693 E694 | E686-R690 VanDerWaalsContact O-CG 3.32Å; E686-R690 WeakPolarHBondContact O-CG 3.44Å; E686-R690 PolarHBondContact O-N 3.46Å; E686-R690 VanDerWaalsContact O-N 3.11Å; E686-R690 IonicContact OE2-NH2 2.63Å; E686-R690 PolarHBondContact OE2-NH2 3.39Å; K687-R690 PolarHBondContact O-N 2.99Å; L688-R690 VanDerWaalsContact C-N 3.3Å; L688-R690 PolarHBondContact O-N 2.68Å; R690-N693 PolarHBondContact O-N 3.35Å; R690-E694 PolarHBondContact O-N 3.34Å |
| 691 | Q | 83 | Confident | 82.4 | Confident | 97 Ų | 97 | 116.9 Ų | 116.9 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.9 | -40.7 | 178.8 | -74.4 | -177.3 | -37.1 | 0 | 0 | 112.2 | K687 L688 N693 E694 I695 | K687-Q691 WeakPolarHBondContact O-CG 3.35Å; K687-Q691 PolarHBondContact O-N 3.45Å; L688-Q691 PolarHBondContact O-N 2.89Å; L688-Q691 VanDerWaalsContact O-N 3.11Å; Q691-N693 VanDerWaalsContact C-N 3.32Å; Q691-N693 PolarHBondContact O-N 3.08Å; Q691-E694 PolarHBondContact O-N 3.04Å; Q691-I695 VanDerWaalsContact O-CG1 3.32Å; Q691-I695 WeakPolarHBondContact O-CG1 3.22Å; Q691-I695 PolarHBondContact O-N 2.92Å |
| 692 | E | 83.2 | Confident | 83.1 | Confident | 135 Ų | 135 | 115.7 Ų | 115.7 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 175 | -74.8 | -177.7 | 156.4 | 0 | 0 | 112 | L688 I695 A696 | L688-E692 WeakPolarHBondContact O-CG 3.37Å; L688-E692 PolarHBondContact O-N 3.11Å; E692-I695 PolarHBondContact O-N 2.98Å; E692-A696 WeakPolarHBondContact O-CB 3.31Å; E692-A696 PolarHBondContact O-N 3.15Å |
| 693 | N | 86.9 | Confident | 83.7 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | 177.6 | -153.8 | 9 | 0 | 0 | 0 | 112 | A689 R690 Q691 A696 M697 | A689-N693 WeakPolarHBondContact O-CB 3.3Å; A689-N693 PolarHBondContact O-N 3.08Å; R690-N693 PolarHBondContact O-N 3.35Å; Q691-N693 VanDerWaalsContact C-N 3.32Å; Q691-N693 PolarHBondContact O-N 3.08Å; N693-A696 PolarHBondContact O-N 3.29Å; N693-M697 HydrophobicContact CB-CE 4.42Å; N693-M697 WeakPolarHBondContact O-CE 3.48Å; N693-M697 WeakPolarHBondContact O-CG 3.37Å; N693-M697 PolarHBondContact O-N 3.46Å |
| 694 | E | 86.7 | Confident | 84.1 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -43 | 173.4 | -169.4 | 173.5 | -175 | 0 | 0 | 111.9 | R690 Q691 A696 M697 L698 | R690-E694 PolarHBondContact O-N 3.34Å; Q691-E694 PolarHBondContact O-N 3.04Å; E694-A696 VanDerWaalsContact C-N 3.34Å; E694-A696 PolarHBondContact O-N 3.02Å; E694-M697 PolarHBondContact O-N 3.22Å; E694-L698 HydrophobicContact CG-CD1 4.25Å; E694-L698 WeakPolarHBondContact O-CB 3.49Å; E694-L698 WeakPolarHBondContact O-CG 3.28Å; E694-L698 PolarHBondContact O-N 2.98Å |
| 695 | I | 85.1 | Confident | 84.6 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.4 | -69.8 | 167.4 | 0 | 0 | 0 | 110.9 | Q691 E692 L698 R699 | Q691-I695 VanDerWaalsContact O-CG1 3.32Å; Q691-I695 WeakPolarHBondContact O-CG1 3.22Å; Q691-I695 PolarHBondContact O-N 2.92Å; E692-I695 PolarHBondContact O-N 2.98Å; I695-L698 PolarHBondContact O-N 2.96Å; I695-R699 HydrophobicContact CG2-CG 4.42Å; I695-R699 WeakPolarHBondContact O-CB 3.45Å; I695-R699 VanDerWaalsContact O-CG 3.32Å; I695-R699 WeakPolarHBondContact O-CG 3.38Å; I695-R699 PolarHBondContact O-N 2.76Å |
| 696 | A | 86.1 | Confident | 84.9 | Confident | 48 Ų | 48 | 105.4 Ų | 105.4 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E692 N693 E694 R699 N700 | E692-A696 WeakPolarHBondContact O-CB 3.31Å; E692-A696 PolarHBondContact O-N 3.15Å; N693-A696 PolarHBondContact O-N 3.29Å; E694-A696 VanDerWaalsContact C-N 3.34Å; E694-A696 PolarHBondContact O-N 3.02Å; A696-R699 PolarHBondContact O-N 3.22Å; A696-N700 PolarHBondContact O-N 3.44Å; A696-N700 VanDerWaalsContact O-N 3.08Å |
| 697 | M | 85.2 | Confident | 84.9 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 175.2 | -78.1 | -173.8 | -101.9 | 0 | 0 | 112.5 | N693 E694 N700 R701 | N693-M697 HydrophobicContact CB-CE 4.42Å; N693-M697 WeakPolarHBondContact O-CE 3.48Å; N693-M697 WeakPolarHBondContact O-CG 3.37Å; N693-M697 PolarHBondContact O-N 3.46Å; E694-M697 PolarHBondContact O-N 3.22Å; M697-N700 PolarHBondContact O-N 2.73Å; M697-R701 PolarHBondContact O-N 3.32Å |
| 698 | L | 85.9 | Confident | 84.9 | Confident | 93 Ų | 93 | 102 Ų | 102 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 177.5 | -73 | 171.1 | 0 | 0 | 0 | 112 | E694 I695 N700 R701 I702 | E694-L698 HydrophobicContact CG-CD1 4.25Å; E694-L698 WeakPolarHBondContact O-CB 3.49Å; E694-L698 WeakPolarHBondContact O-CG 3.28Å; E694-L698 PolarHBondContact O-N 2.98Å; I695-L698 PolarHBondContact O-N 2.96Å; L698-N700 PolarHBondContact O-N 3.17Å; L698-R701 PolarHBondContact O-N 3.28Å; L698-I702 WeakPolarHBondContact O-CG1 3.33Å; L698-I702 PolarHBondContact O-N 3.12Å |
| 699 | R | 85.5 | Confident | 84.8 | Confident | 179 Ų | 179 | 102.8 Ų | 102.8 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 174.7 | -76.1 | 176.2 | 174.7 | 171.4 | -0.1 | 112.1 | I695 A696 I702 S703 | I695-R699 HydrophobicContact CG2-CG 4.42Å; I695-R699 WeakPolarHBondContact O-CB 3.45Å; I695-R699 VanDerWaalsContact O-CG 3.32Å; I695-R699 WeakPolarHBondContact O-CG 3.38Å; I695-R699 PolarHBondContact O-N 2.76Å; A696-R699 PolarHBondContact O-N 3.22Å; R699-I702 PolarHBondContact O-N 3.11Å; R699-S703 PolarHBondContact O-N 3.5Å |
| 700 | N | 86.9 | Confident | 84.5 | Confident | 117 Ų | 117 | 105 Ų | 105 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 174 | -99.1 | -24.6 | 0 | 0 | 0 | 112.2 | A696 M697 L698 S703 V704 | A696-N700 PolarHBondContact O-N 3.44Å; A696-N700 VanDerWaalsContact O-N 3.08Å; M697-N700 PolarHBondContact O-N 2.73Å; L698-N700 PolarHBondContact O-N 3.17Å; N700-S703 PolarHBondContact O-N 3.19Å; N700-V704 WeakPolarHBondContact O-CG2 3.36Å; N700-V704 PolarHBondContact O-N 3.31Å; N700-V704 VanDerWaalsContact O-N 3.07Å |
| 701 | R | 86.5 | Confident | 84.3 | Confident | 148 Ų | 148 | 100.7 Ų | 100.7 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 177.5 | -172.6 | 63 | 171.1 | 160.8 | 3 | 112 | M697 L698 V704 L705 | M697-R701 PolarHBondContact O-N 3.32Å; L698-R701 PolarHBondContact O-N 3.28Å; R701-V704 PolarHBondContact O-N 3.07Å; R701-L705 HydrophobicContact CG-CD1 4.16Å; R701-L705 WeakPolarHBondContact O-CB 3.41Å; R701-L705 WeakPolarHBondContact O-CG 3.25Å; R701-L705 PolarHBondContact O-N 3.02Å |
| 702 | I | 85.4 | Confident | 83.9 | Confident | 92 Ų | 92 | 99.6 Ų | 99.6 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.9 | -69.9 | 167.4 | 0 | 0 | 0 | 110.2 | L698 R699 V704 L705 E706 | L698-I702 WeakPolarHBondContact O-CG1 3.33Å; L698-I702 PolarHBondContact O-N 3.12Å; R699-I702 PolarHBondContact O-N 3.11Å; I702-V704 VanDerWaalsContact C-N 3.33Å; I702-V704 PolarHBondContact O-N 3.35Å; I702-L705 PolarHBondContact O-N 3.37Å; I702-E706 HydrophobicContact CG2-CG 4.22Å; I702-E706 WeakPolarHBondContact O-CB 3.23Å; I702-E706 WeakPolarHBondContact O-CG 3.48Å; I702-E706 PolarHBondContact O-N 3.4Å |
| 703 | S | 85.3 | Confident | 83.5 | Confident | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 177.9 | 178.6 | 0 | 0 | 0 | 0 | 113 | R699 N700 S707 | R699-S703 PolarHBondContact O-N 3.5Å; N700-S703 PolarHBondContact O-N 3.19Å; S703-S707 PolarHBondContact O-N 3.07Å; S703-S707 VanDerWaalsContact O-N 3.1Å |
| 704 | V | 86.4 | Confident | 82.6 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | N700 R701 I702 E706 S707 E708 | N700-V704 WeakPolarHBondContact O-CG2 3.36Å; N700-V704 PolarHBondContact O-N 3.31Å; N700-V704 VanDerWaalsContact O-N 3.07Å; R701-V704 PolarHBondContact O-N 3.07Å; I702-V704 VanDerWaalsContact C-N 3.33Å; I702-V704 PolarHBondContact O-N 3.35Å; V704-E706 VanDerWaalsContact C-N 3.34Å; V704-E706 PolarHBondContact O-N 3.42Å; V704-S707 WeakPolarHBondContact O-CB 3.04Å; V704-S707 PolarHBondContact O-N 2.78Å; V704-E708 WeakPolarHBondContact O-CG 3.06Å; V704-E708 PolarHBondContact O-N 3.02Å |
| 705 | L | 84.3 | Confident | 81.7 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 40% | 0.398 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 178.6 | -73.9 | 170.1 | 0 | 0 | 0 | 112.2 | R701 I702 E708 L709 | R701-L705 HydrophobicContact CG-CD1 4.16Å; R701-L705 WeakPolarHBondContact O-CB 3.41Å; R701-L705 WeakPolarHBondContact O-CG 3.25Å; R701-L705 PolarHBondContact O-N 3.02Å; I702-L705 PolarHBondContact O-N 3.37Å; L705-E708 PolarHBondContact O-N 3.26Å; L705-L709 WeakPolarHBondContact O-CB 3.37Å; L705-L709 PolarHBondContact O-N 3.05Å |
| 706 | E | 84.1 | Confident | 80.6 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.4 | -74.7 | 176.6 | 164.1 | 0 | 0 | 111.8 | I702 V704 L709 N710 | I702-E706 HydrophobicContact CG2-CG 4.22Å; I702-E706 WeakPolarHBondContact O-CB 3.23Å; I702-E706 WeakPolarHBondContact O-CG 3.48Å; I702-E706 PolarHBondContact O-N 3.4Å; V704-E706 VanDerWaalsContact C-N 3.34Å; V704-E706 PolarHBondContact O-N 3.42Å; E706-L709 PolarHBondContact O-N 3.35Å; E706-N710 WeakPolarHBondContact O-CB 3.44Å; E706-N710 PolarHBondContact O-N 3.23Å; E706-N710 PolarHBondContact O-ND2 3.05Å |
| 707 | S | 82.6 | Confident | 79.1 | Confident | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 172.8 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | S703 V704 N710 T711 | S703-S707 PolarHBondContact O-N 3.07Å; S703-S707 VanDerWaalsContact O-N 3.1Å; V704-S707 WeakPolarHBondContact O-CB 3.04Å; V704-S707 PolarHBondContact O-N 2.78Å; S707-N710 PolarHBondContact O-N 2.92Å; S707-T711 PolarHBondContact O-N 3.28Å; S707-T711 PolarHBondContact O-OG1 3Å |
| 708 | E | 83.5 | Confident | 77.4 | Confident | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177 | -72.9 | 175.6 | 174.6 | 0 | 0 | 111.4 | V704 L705 N710 T711 C712 | V704-E708 WeakPolarHBondContact O-CG 3.06Å; V704-E708 PolarHBondContact O-N 3.02Å; L705-E708 PolarHBondContact O-N 3.26Å; E708-N710 PolarHBondContact O-N 3.49Å; E708-T711 PolarHBondContact O-N 2.63Å; E708-C712 PolarHBondContact O-N 3.49Å |
| 709 | L | 79.4 | Confident | 75.2 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 176.4 | -110.6 | 172.2 | 0 | 0 | 0 | 112.3 | L705 E706 T711 C712 R713 | L705-L709 WeakPolarHBondContact O-CB 3.37Å; L705-L709 PolarHBondContact O-N 3.05Å; E706-L709 PolarHBondContact O-N 3.35Å; L709-T711 VanDerWaalsContact C-N 3.31Å; L709-T711 PolarHBondContact O-N 3.26Å; L709-C712 PolarHBondContact O-N 3.43Å; L709-R713 WeakPolarHBondContact O-CB 3.24Å; L709-R713 PolarHBondContact O-N 3.43Å |
| 710 | N | 78.6 | Confident | 72.9 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -37.4 | 176.4 | -78.2 | -21.7 | 0 | 0 | 0 | 111.7 | E706 S707 E708 S714 | E706-N710 WeakPolarHBondContact O-CB 3.44Å; E706-N710 PolarHBondContact O-N 3.23Å; E706-N710 PolarHBondContact O-ND2 3.05Å; S707-N710 PolarHBondContact O-N 2.92Å; E708-N710 PolarHBondContact O-N 3.49Å; N710-S714 WeakPolarHBondContact O-CB 3.34Å; N710-S714 PolarHBondContact O-N 2.72Å; N710-S714 PolarHBondContact O-OG 3.08Å |
| 711 | T | 80.1 | Confident | 70.8 | Confident | 83 Ų | 83 | 100.8 Ų | 100.8 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.2 | -44.2 | 175.8 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | S707 E708 L709 S714 T715 | S707-T711 PolarHBondContact O-N 3.28Å; S707-T711 PolarHBondContact O-OG1 3Å; E708-T711 PolarHBondContact O-N 2.63Å; L709-T711 VanDerWaalsContact C-N 3.31Å; L709-T711 PolarHBondContact O-N 3.26Å; T711-S714 PolarHBondContact O-N 3.42Å; T711-T715 PolarHBondContact O-N 2.83Å; T711-T715 PolarHBondContact O-OG1 2.9Å |
| 712 | C | 74.4 | Confident | 68.4 | Low | 74 Ų | 74 | 99.7 Ų | 99.7 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -43.9 | 175.1 | -80.5 | 0 | 0 | 0 | 0 | 112.1 | E708 L709 S714 T715 I716 | E708-C712 PolarHBondContact O-N 3.49Å; L709-C712 PolarHBondContact O-N 3.43Å; C712-S714 VanDerWaalsContact C-N 3.3Å; C712-S714 PolarHBondContact O-N 3.28Å; C712-T715 PolarHBondContact O-N 3.3Å; C712-I716 VanDerWaalsContact O-CG1 3.29Å; C712-I716 WeakPolarHBondContact O-CG1 3.47Å; C712-I716 PolarHBondContact O-N 3.4Å |
| 713 | R | 74 | Confident | 66 | Low | 169 Ų | 169 | 102.3 Ų | 102.3 | 64% | 0.638 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.4 | -39.5 | 173.8 | -95.8 | -175.3 | 175.4 | -166.2 | -1.3 | 112.4 | L709 T715 I716 N717 | L709-R713 WeakPolarHBondContact O-CB 3.24Å; L709-R713 PolarHBondContact O-N 3.43Å; R713-T715 VanDerWaalsContact C-N 3.32Å; R713-I716 PolarHBondContact O-N 2.88Å; R713-N717 WeakPolarHBondContact O-CB 3.38Å; R713-N717 PolarHBondContact O-N 3.21Å |
| 714 | S | 67.9 | Low | 63.6 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.3 | -36.1 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | N710 T711 C712 G718 | N710-S714 WeakPolarHBondContact O-CB 3.34Å; N710-S714 PolarHBondContact O-N 2.72Å; N710-S714 PolarHBondContact O-OG 3.08Å; T711-S714 PolarHBondContact O-N 3.42Å; C712-S714 VanDerWaalsContact C-N 3.3Å; C712-S714 PolarHBondContact O-N 3.28Å; S714-G718 WeakPolarHBondContact O-CA 3.35Å; S714-G718 PolarHBondContact O-N 3.39Å |
| 715 | T | 67.7 | Low | 61.2 | Low | 77 Ų | 77 | 111.9 Ų | 111.9 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.7 | -34.9 | 176.9 | -44.6 | 0 | 0 | 0 | 0 | 112.1 | T711 C712 R713 | T711-T715 PolarHBondContact O-N 2.83Å; T711-T715 PolarHBondContact O-OG1 2.9Å; C712-T715 PolarHBondContact O-N 3.3Å; R713-T715 VanDerWaalsContact C-N 3.32Å |
| 716 | I | 63.2 | Low | 58.8 | Low | 126 Ų | 126 | 120.1 Ų | 120.1 | 65% | 0.646 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73 | -39.7 | 176.6 | -67.7 | 165.6 | 0 | 0 | 0 | 111 | C712 R713 | C712-I716 VanDerWaalsContact O-CG1 3.29Å; C712-I716 WeakPolarHBondContact O-CG1 3.47Å; C712-I716 PolarHBondContact O-N 3.4Å; R713-I716 PolarHBondContact O-N 2.88Å |
| 717 | N | 55.1 | Low | 56.3 | Low | 125 Ų | 125 | 121.6 Ų | 121.6 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -82.9 | -17.7 | 178.7 | -71.4 | -7.3 | 0 | 0 | 0 | 113.6 | R713 | R713-N717 WeakPolarHBondContact O-CB 3.38Å; R713-N717 PolarHBondContact O-N 3.21Å |
| 718 | G | 48.4 | Very low | 54.3 | Low | 56 Ų | 56 | 125.5 Ų | 125.5 | 58% | 0.577 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -86.8 | -8.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | S714 | S714-G718 WeakPolarHBondContact O-CA 3.35Å; S714-G718 PolarHBondContact O-N 3.39Å |
| 719 | N | 39.8 | Very low | 52 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | trans | -108.4 | 64.4 | 178.4 | -77.2 | -16 | 0 | 0 | 0 | 111.4 | ||||
| 720 | T | 38.3 | Very low | 50.4 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | -87.6 | 113.3 | 157 | 44 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 721 | P | 42.3 | Very low | 48.6 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -88 | 116.3 | -168.5 | 32.1 | -30.6 | 0 | 0 | 0 | 112 | ||||
| 722 | T | 35.3 | Very low | 46.9 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -76.8 | 142.3 | 147 | 45.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 723 | D | 36.5 | Very low | 45.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | 89.4 | 87.8 | 172.1 | -57.1 | -28.5 | 0 | 0 | 0 | 118.1 | K725 | D723-K725 PolarHBondContact O-N 2.86Š| ||
| 724 | T | 32.9 | Very low | 44.5 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -41.4 | 100.6 | 139.1 | 38.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 725 | K | 37.4 | Very low | 43.4 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | 164 | 86.3 | 143.1 | -91.8 | 165.8 | -177.2 | 176.9 | 0 | 111 | D723 | D723-K725 PolarHBondContact O-N 2.86Š| ||
| 726 | R | 34.1 | Very low | 42.6 | Very low | 250 Ų | 250 | 140.1 Ų | 140.1 | 94% | 0.943 | 75% | 0.746 | S | S | * | * | trans | -173.1 | 104.6 | 136.5 | -117.5 | 174.4 | 172.9 | 131.4 | -3.8 | 111.2 | ||||
| 727 | N | 31.9 | Very low | 42.2 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -66.9 | 150.5 | 161.9 | -77.6 | -22.3 | 0 | 0 | 0 | 110.7 | ||||
| 728 | N | 38.9 | Very low | 42 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 93.1 | 133.1 | 152.3 | -59.7 | -17.6 | 0 | 0 | 0 | 119.2 | ||||
| 729 | M | 36.3 | Very low | 42.5 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | trans | 88.9 | 79 | 166.6 | -65.3 | 176.3 | 56.7 | 0 | 0 | 117.8 | ||||
| 730 | I | 44.7 | Very low | 43.6 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -142.7 | 129.3 | 141.6 | -54.8 | -176.7 | 0 | 0 | 0 | 108.3 | ||||
| 731 | N | 42.1 | Very low | 45 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | -68.6 | 120.7 | -164.7 | -71.4 | -36.9 | 0 | 0 | 0 | 114.1 | G733 E734 | N731-G733 PolarHBondContact O-N 3.32Å; N731-E734 PolarHBondContact O-N 2.9Å | ||
| 732 | E | 43.1 | Very low | 46.4 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -57.4 | -15.4 | 174.7 | -77.4 | 178 | 137.2 | 0 | 0 | 114.8 | ||
| 733 | G | 49.5 | Very low | 48.1 | Very low | 51 Ų | 51 | 135.9 Ų | 135.9 | 53% | 0.526 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -76.8 | -22.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N731 | N731-G733 PolarHBondContact O-N 3.32Å |
| 734 | E | 48.2 | Very low | 50 | Low | 135 Ų | 135 | 133.3 Ų | 133.3 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -89.6 | -31.1 | 179.6 | -74.4 | -179.3 | 154.5 | 0 | 0 | 112.2 | N731 K737 L738 | N731-E734 PolarHBondContact O-N 2.9Å; E734-K737 PolarHBondContact O-N 3.43Å; E734-L738 PolarHBondContact O-N 3.06Å; E734-L738 VanDerWaalsContact O-N 3.12Å |
| 735 | L | 45.8 | Very low | 52.1 | Low | 134 Ų | 134 | 130 Ų | 130 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.7 | -42.3 | 177.2 | -148.6 | 73.5 | 0 | 0 | 0 | 111.2 | K737 L738 T739 | L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 2.93Å; L735-L738 PolarHBondContact O-N 3.31Å; L735-T739 PolarHBondContact O-N 3.35Å; L735-T739 VanDerWaalsContact O-N 3.11Å; L735-T739 PolarHBondContact O-OG1 3.11Å |
| 736 | Q | 50.7 | Low | 54 | Low | 142 Ų | 142 | 124.5 Ų | 124.5 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.6 | -30 | 174.4 | -86.1 | 178.5 | -4.3 | 0 | 0 | 113.5 | I740 | Q736-I740 WeakPolarHBondContact O-CD1 3.44Å; Q736-I740 VanDerWaalsContact O-CG1 3.25Å; Q736-I740 WeakPolarHBondContact O-CG1 3.45Å; Q736-I740 PolarHBondContact O-N 3.02Å |
| 737 | K | 55.3 | Low | 56.1 | Low | 155 Ų | 155 | 119 Ų | 119 | 67% | 0.674 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.6 | -36.5 | 176.9 | -110.6 | 178.6 | 177.2 | -178.8 | 0 | 112.6 | E734 L735 T741 | E734-K737 PolarHBondContact O-N 3.43Å; L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 2.93Å; K737-T741 PolarHBondContact O-N 2.97Å; K737-T741 PolarHBondContact O-OG1 3.36Å |
| 738 | L | 51.2 | Low | 58.5 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.8 | -44.5 | 172.3 | -107.8 | 88.6 | 0 | 0 | 0 | 111.3 | E734 L735 I740 T741 D742 | E734-L738 PolarHBondContact O-N 3.06Å; E734-L738 VanDerWaalsContact O-N 3.12Å; L735-L738 PolarHBondContact O-N 3.31Å; L738-I740 VanDerWaalsContact C-N 3.32Å; L738-I740 PolarHBondContact O-N 2.67Å; L738-T741 PolarHBondContact O-N 2.91Å; L738-T741 VanDerWaalsContact O-N 3.17Å; L738-D742 PolarHBondContact O-N 2.9Å |
| 739 | T | 57.2 | Low | 60.5 | Low | 77 Ų | 77 | 114.5 Ų | 114.5 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.4 | -32.9 | -177.5 | -30.6 | 0 | 0 | 0 | 0 | 113.2 | L735 N743 | L735-T739 PolarHBondContact O-N 3.35Å; L735-T739 VanDerWaalsContact O-N 3.11Å; L735-T739 PolarHBondContact O-OG1 3.11Å; T739-N743 WeakPolarHBondContact O-CB 3.43Å; T739-N743 VanDerWaalsContact O-CG 3.3Å; T739-N743 PolarHBondContact O-N 3.27Å; T739-N743 PolarHBondContact O-ND2 2.95Å |
| 740 | I | 64.2 | Low | 62.7 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.8 | -37.2 | 176.2 | -65.6 | 166 | 0 | 0 | 0 | 111 | Q736 L738 I744 | Q736-I740 WeakPolarHBondContact O-CD1 3.44Å; Q736-I740 VanDerWaalsContact O-CG1 3.25Å; Q736-I740 WeakPolarHBondContact O-CG1 3.45Å; Q736-I740 PolarHBondContact O-N 3.02Å; L738-I740 VanDerWaalsContact C-N 3.32Å; L738-I740 PolarHBondContact O-N 2.67Å; I740-I744 HydrophobicContact CG2-CD1 4.07Å; I740-I744 WeakPolarHBondContact O-CD1 3.09Å; I740-I744 VanDerWaalsContact O-CG1 3.31Å; I740-I744 WeakPolarHBondContact O-CG1 3.32Å; I740-I744 PolarHBondContact O-N 3.38Å |
| 741 | T | 67.5 | Low | 64.6 | Low | 86 Ų | 86 | 110 Ų | 110 | 53% | 0.528 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73 | -37.3 | -178.4 | -46.1 | 0 | 0 | 0 | 0 | 111.8 | K737 L738 I744 T745 | K737-T741 PolarHBondContact O-N 2.97Å; K737-T741 PolarHBondContact O-OG1 3.36Å; L738-T741 PolarHBondContact O-N 2.91Å; L738-T741 VanDerWaalsContact O-N 3.17Å; T741-I744 PolarHBondContact O-N 2.93Å; T741-T745 PolarHBondContact O-N 3.34Å; T741-T745 VanDerWaalsContact O-N 3.15Å; T741-T745 PolarHBondContact O-OG1 2.94Å |
| 742 | D | 70.9 | Confident | 66.6 | Low | 86 Ų | 86 | 109.5 Ų | 109.5 | 46% | 0.46 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.3 | -38.4 | 175.6 | -69.5 | -16 | 0 | 0 | 0 | 111.7 | L738 I744 T745 I746 | L738-D742 PolarHBondContact O-N 2.9Å; D742-I744 PolarHBondContact O-N 2.95Å; D742-T745 VanDerWaalsContact CA-OG1 3.28Å; D742-T745 WeakPolarHBondContact CA-OG1 3.34Å; D742-T745 PolarHBondContact O-N 3.37Å; D742-T745 PolarHBondContact O-OG1 3.23Å; D742-I746 WeakPolarHBondContact O-CB 3.44Å; D742-I746 VanDerWaalsContact O-CG1 3.25Å; D742-I746 WeakPolarHBondContact O-CG1 3.39Å; D742-I746 PolarHBondContact O-N 2.92Å |
| 743 | N | 70.9 | Confident | 68.4 | Low | 94 Ų | 94 | 104.9 Ų | 104.9 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 175.2 | -80.5 | -33.5 | 0 | 0 | 0 | 113 | T739 Q747 | T739-N743 WeakPolarHBondContact O-CB 3.43Å; T739-N743 VanDerWaalsContact O-CG 3.3Å; T739-N743 PolarHBondContact O-N 3.27Å; T739-N743 PolarHBondContact O-ND2 2.95Å; N743-Q747 PolarHBondContact O-N 2.9Å |
| 744 | I | 78.2 | Confident | 70 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 176 | -67.7 | 165.9 | 0 | 0 | 0 | 111.2 | I740 T741 D742 N748 | I740-I744 HydrophobicContact CG2-CD1 4.07Å; I740-I744 WeakPolarHBondContact O-CD1 3.09Å; I740-I744 VanDerWaalsContact O-CG1 3.31Å; I740-I744 WeakPolarHBondContact O-CG1 3.32Å; I740-I744 PolarHBondContact O-N 3.38Å; T741-I744 PolarHBondContact O-N 2.93Å; D742-I744 PolarHBondContact O-N 2.95Å; I744-N748 WeakPolarHBondContact O-CB 3.26Å; I744-N748 PolarHBondContact O-N 3.41Å; I744-N748 VanDerWaalsContact O-N 3.08Å; I744-N748 PolarHBondContact O-ND2 3.47Å |
| 745 | T | 76.2 | Confident | 71.7 | Confident | 69 Ų | 69 | 104.1 Ų | 104.1 | 42% | 0.423 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72 | -38.7 | 176.9 | 31.6 | 0 | 0 | 0 | 0 | 112.1 | T741 D742 N748 L749 | T741-T745 PolarHBondContact O-N 3.34Å; T741-T745 VanDerWaalsContact O-N 3.15Å; T741-T745 PolarHBondContact O-OG1 2.94Å; D742-T745 VanDerWaalsContact CA-OG1 3.28Å; D742-T745 WeakPolarHBondContact CA-OG1 3.34Å; D742-T745 PolarHBondContact O-N 3.37Å; D742-T745 PolarHBondContact O-OG1 3.23Å; T745-N748 PolarHBondContact O-N 3.34Å; T745-L749 WeakPolarHBondContact O-CG 3.37Å; T745-L749 PolarHBondContact O-N 3.46Å |
| 746 | I | 77.3 | Confident | 73.6 | Confident | 83 Ų | 83 | 102.5 Ų | 102.5 | 43% | 0.426 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 172.9 | -68.7 | 165.7 | 0 | 0 | 0 | 110.5 | D742 N748 L749 E750 | D742-I746 WeakPolarHBondContact O-CB 3.44Å; D742-I746 VanDerWaalsContact O-CG1 3.25Å; D742-I746 WeakPolarHBondContact O-CG1 3.39Å; D742-I746 PolarHBondContact O-N 2.92Å; I746-N748 VanDerWaalsContact C-N 3.33Å; I746-N748 PolarHBondContact O-N 2.96Å; I746-L749 PolarHBondContact O-N 3.49Å; I746-L749 VanDerWaalsContact O-N 3.11Å; I746-E750 HydrophobicContact CG2-CG 4.37Å; I746-E750 WeakPolarHBondContact O-CG 3.36Å; I746-E750 PolarHBondContact O-N 3.27Å |
| 747 | Q | 78.8 | Confident | 75.1 | Confident | 133 Ų | 133 | 101.2 Ų | 101.2 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -40.3 | 176.6 | -83.9 | -171.2 | -28 | 0 | 0 | 113.1 | N743 L749 E750 Q751 | N743-Q747 PolarHBondContact O-N 2.9Å; Q747-L749 VanDerWaalsContact C-N 3.34Å; Q747-E750 PolarHBondContact O-N 2.99Å; Q747-Q751 WeakPolarHBondContact O-CB 3.2Å; Q747-Q751 PolarHBondContact O-N 2.91Å |
| 748 | N | 82.2 | Confident | 76.6 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 176.2 | -81.6 | -48 | 0 | 0 | 0 | 112.4 | I744 T745 I746 K752 | I744-N748 WeakPolarHBondContact O-CB 3.26Å; I744-N748 PolarHBondContact O-N 3.41Å; I744-N748 VanDerWaalsContact O-N 3.08Å; I744-N748 PolarHBondContact O-ND2 3.47Å; T745-N748 PolarHBondContact O-N 3.34Å; I746-N748 VanDerWaalsContact C-N 3.33Å; I746-N748 PolarHBondContact O-N 2.96Å; N748-K752 WeakPolarHBondContact O-CB 3.46Å; N748-K752 PolarHBondContact O-N 3.32Å; N748-K752 VanDerWaalsContact O-N 3.07Å |
| 749 | L | 81.1 | Confident | 78.3 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.1 | -41.7 | 176 | -73.1 | 169.7 | 0 | 0 | 0 | 111.6 | T745 I746 Q747 Q751 K752 C753 | T745-L749 WeakPolarHBondContact O-CG 3.37Å; T745-L749 PolarHBondContact O-N 3.46Å; I746-L749 PolarHBondContact O-N 3.49Å; I746-L749 VanDerWaalsContact O-N 3.11Å; Q747-L749 VanDerWaalsContact C-N 3.34Å; L749-Q751 VanDerWaalsContact C-N 3.34Å; L749-Q751 PolarHBondContact O-N 3.36Å; L749-K752 PolarHBondContact O-N 3.3Å; L749-C753 PolarHBondContact O-N 3.49Å; L749-C753 PolarHBondContact O-SG 3.32Å |
| 750 | E | 82.1 | Confident | 79.7 | Confident | 123 Ų | 123 | 104.5 Ų | 104.5 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 174.3 | -72.5 | 175.5 | 163.1 | 0 | 0 | 111.6 | I746 Q747 K752 C753 S754 | I746-E750 HydrophobicContact CG2-CG 4.37Å; I746-E750 WeakPolarHBondContact O-CG 3.36Å; I746-E750 PolarHBondContact O-N 3.27Å; Q747-E750 PolarHBondContact O-N 2.99Å; E750-K752 VanDerWaalsContact C-N 3.33Å; E750-K752 PolarHBondContact O-N 3.39Å; E750-C753 PolarHBondContact O-N 3.24Å; E750-S754 PolarHBondContact O-N 3.36Å |
| 751 | Q | 83.8 | Confident | 80.7 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 175.9 | -168.5 | 177.7 | 3.1 | 0 | 0 | 111.9 | Q747 L749 S754 M755 | Q747-Q751 WeakPolarHBondContact O-CB 3.2Å; Q747-Q751 PolarHBondContact O-N 2.91Å; L749-Q751 VanDerWaalsContact C-N 3.34Å; L749-Q751 PolarHBondContact O-N 3.36Å; Q751-S754 PolarHBondContact O-N 3.21Å; Q751-M755 WeakPolarHBondContact O-CG 3.26Å; Q751-M755 PolarHBondContact O-N 3.37Å |
| 752 | K | 85.3 | Confident | 81.5 | Confident | 117 Ų | 117 | 104.7 Ų | 104.7 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 178 | -162.5 | 171.7 | -176.4 | 178.9 | 0 | 112.2 | N748 L749 E750 M755 L756 | N748-K752 WeakPolarHBondContact O-CB 3.46Å; N748-K752 PolarHBondContact O-N 3.32Å; N748-K752 VanDerWaalsContact O-N 3.07Å; L749-K752 PolarHBondContact O-N 3.3Å; E750-K752 VanDerWaalsContact C-N 3.33Å; E750-K752 PolarHBondContact O-N 3.39Å; K752-M755 PolarHBondContact O-N 3.22Å; K752-L756 WeakPolarHBondContact O-CG 3.35Å; K752-L756 PolarHBondContact O-N 3.5Å |
| 753 | C | 79.8 | Confident | 82.3 | Confident | 76 Ų | 76 | 105.2 Ų | 105.2 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 171.9 | -74 | 0 | 0 | 0 | 0 | 111.3 | L749 E750 M755 L756 E757 | L749-C753 PolarHBondContact O-N 3.49Å; L749-C753 PolarHBondContact O-SG 3.32Å; E750-C753 PolarHBondContact O-N 3.24Å; C753-M755 VanDerWaalsContact C-N 3.32Å; C753-M755 PolarHBondContact O-N 3.29Å; C753-L756 PolarHBondContact O-N 3.34Å; C753-E757 WeakPolarHBondContact O-CG 3.43Å; C753-E757 PolarHBondContact O-N 3.46Å |
| 754 | S | 84.2 | Confident | 82.9 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | E750 Q751 K758 | E750-S754 PolarHBondContact O-N 3.36Å; Q751-S754 PolarHBondContact O-N 3.21Å; S754-K758 PolarHBondContact O-N 3.34Å |
| 755 | M | 83.3 | Confident | 83.3 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.5 | -42.6 | 174 | -70.2 | -164.2 | -49.5 | 0 | 0 | 112.5 | Q751 K752 C753 E757 K758 E759 | Q751-M755 WeakPolarHBondContact O-CG 3.26Å; Q751-M755 PolarHBondContact O-N 3.37Å; K752-M755 PolarHBondContact O-N 3.22Å; C753-M755 VanDerWaalsContact C-N 3.32Å; C753-M755 PolarHBondContact O-N 3.29Å; M755-E757 VanDerWaalsContact C-N 3.32Å; M755-E757 PolarHBondContact O-N 2.93Å; M755-K758 PolarHBondContact O-N 2.95Å; M755-E759 PolarHBondContact O-N 2.64Å |
| 756 | L | 84.6 | Confident | 83.8 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 178.3 | -73.2 | 170 | 0 | 0 | 0 | 112.2 | K752 C753 E759 R760 | K752-L756 WeakPolarHBondContact O-CG 3.35Å; K752-L756 PolarHBondContact O-N 3.5Å; C753-L756 PolarHBondContact O-N 3.34Å; L756-E759 PolarHBondContact O-N 3.48Å; L756-R760 WeakPolarHBondContact O-CB 3.43Å; L756-R760 PolarHBondContact O-N 3.47Å |
| 757 | E | 83.2 | Confident | 84.3 | Confident | 115 Ų | 115 | 107.6 Ų | 107.6 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 172.9 | -75.2 | 176.9 | 163.8 | 0 | 0 | 111.9 | C753 M755 R760 D761 | C753-E757 WeakPolarHBondContact O-CG 3.43Å; C753-E757 PolarHBondContact O-N 3.46Å; M755-E757 VanDerWaalsContact C-N 3.32Å; M755-E757 PolarHBondContact O-N 2.93Å; E757-R760 PolarHBondContact O-N 3.17Å; E757-D761 PolarHBondContact O-N 3.11Å |
| 758 | K | 86.7 | Confident | 84.5 | Confident | 144 Ų | 144 | 104 Ų | 104 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 174.5 | -75.3 | -177.1 | 179.8 | 178.9 | 0 | 112.8 | S754 M755 D761 N762 | S754-K758 PolarHBondContact O-N 3.34Å; M755-K758 PolarHBondContact O-N 2.95Å; K758-D761 PolarHBondContact O-N 2.92Å; K758-N762 PolarHBondContact O-N 2.91Å |
| 759 | E | 86.8 | Confident | 84.7 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177.4 | -168.5 | 174.1 | -175.3 | 0 | 0 | 111.4 | M755 L756 D761 N762 L763 | M755-E759 PolarHBondContact O-N 2.64Å; L756-E759 PolarHBondContact O-N 3.48Å; E759-D761 PolarHBondContact O-N 3.09Å; E759-N762 PolarHBondContact O-N 3.27Å; E759-L763 HydrophobicContact CG-CD1 4.4Å; E759-L763 WeakPolarHBondContact O-CB 3.49Å; E759-L763 WeakPolarHBondContact O-CG 3.41Å; E759-L763 PolarHBondContact O-N 3.49Å |
| 760 | R | 86.5 | Confident | 85.1 | Confident | 156 Ų | 156 | 104.4 Ų | 104.4 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 173.1 | -174.6 | -156.2 | 69.4 | 175.2 | -3.9 | 111.9 | L756 E757 L763 R764 | L756-R760 WeakPolarHBondContact O-CB 3.43Å; L756-R760 PolarHBondContact O-N 3.47Å; E757-R760 PolarHBondContact O-N 3.17Å; R760-L763 PolarHBondContact O-N 3.43Å; R760-R764 WeakPolarHBondContact O-CB 3.45Å; R760-R764 PolarHBondContact O-N 3.02Å |
| 761 | D | 84.5 | Confident | 85.2 | Confident | 82 Ų | 82 | 103 Ų | 103 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -36.4 | -178.9 | -69.8 | -8.5 | 0 | 0 | 0 | 111.8 | E757 K758 E759 R764 G765 | E757-D761 PolarHBondContact O-N 3.11Å; K758-D761 PolarHBondContact O-N 2.92Å; E759-D761 PolarHBondContact O-N 3.09Å; D761-R764 PolarHBondContact O-N 3.26Å; D761-G765 PolarHBondContact O-N 2.89Å |
| 762 | N | 86.1 | Confident | 85.3 | Confident | 115 Ų | 115 | 103 Ų | 103 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -48.7 | 172 | -82.2 | -5.5 | 0 | 0 | 0 | 112.2 | K758 E759 R764 G765 E766 | K758-N762 PolarHBondContact O-N 2.91Å; E759-N762 PolarHBondContact O-N 3.27Å; N762-R764 PolarHBondContact O-N 3.44Å; N762-G765 WeakPolarHBondContact O-CA 3.41Å; N762-G765 PolarHBondContact O-N 2.91Å; N762-E766 PolarHBondContact O-N 3.46Å |
| 763 | L | 86 | Confident | 85.3 | Confident | 98 Ų | 98 | 102.5 Ų | 102.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -34.8 | 176.9 | -77.5 | 169.5 | 0 | 0 | 0 | 111.9 | E759 R760 E766 H767 | E759-L763 HydrophobicContact CG-CD1 4.4Å; E759-L763 WeakPolarHBondContact O-CB 3.49Å; E759-L763 WeakPolarHBondContact O-CG 3.41Å; E759-L763 PolarHBondContact O-N 3.49Å; R760-L763 PolarHBondContact O-N 3.43Å; L763-E766 PolarHBondContact O-N 3.32Å; L763-H767 WeakPolarHBondContact O-CB 3.41Å; L763-H767 PolarHBondContact O-N 3Å |
| 764 | R | 84.9 | Confident | 85.5 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.8 | -171.4 | 177.3 | 170.4 | -132 | -20.6 | 111.9 | R760 D761 N762 H767 E768 | R760-R764 WeakPolarHBondContact O-CB 3.45Å; R760-R764 PolarHBondContact O-N 3.02Å; D761-R764 PolarHBondContact O-N 3.26Å; N762-R764 PolarHBondContact O-N 3.44Å; R764-H767 PolarHBondContact O-N 3.42Å; R764-E768 IonicContact CZ-OE1 3.54Å; R764-E768 IonicContact NE-OE1 2.86Å; R764-E768 IonicContact NH2-OE1 3.84Å; R764-E768 PolarHBondContact NH2-OE1 3.49Å; R764-E768 PolarHBondContact O-N 3.46Å; R764-E768 VanDerWaalsContact O-N 3.08Å |
| 765 | G | 85.3 | Confident | 85.5 | Confident | 30 Ų | 30 | 105 Ų | 105 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D761 N762 H767 E768 D769 | D761-G765 PolarHBondContact O-N 2.89Å; N762-G765 WeakPolarHBondContact O-CA 3.41Å; N762-G765 PolarHBondContact O-N 2.91Å; G765-H767 VanDerWaalsContact C-N 3.26Å; G765-H767 PolarHBondContact O-N 2.79Å; G765-E768 PolarHBondContact O-N 3.3Å; G765-E768 VanDerWaalsContact O-N 3.15Å; G765-D769 PolarHBondContact O-N 2.87Å |
| 766 | E | 87.3 | Confident | 85.6 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.3 | -35.9 | 175.7 | -69.4 | -179.9 | 172.5 | 0 | 0 | 112.3 | N762 L763 L770 | N762-E766 PolarHBondContact O-N 3.46Å; L763-E766 PolarHBondContact O-N 3.32Å; E766-L770 WeakPolarHBondContact O-CB 3.44Å; E766-L770 PolarHBondContact O-N 3.18Å |
| 767 | H | 87.1 | Confident | 85.6 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 175.4 | -169.8 | 71.1 | 0 | 0 | 0 | 112.5 | L763 R764 G765 L770 L771 | L763-H767 WeakPolarHBondContact O-CB 3.41Å; L763-H767 PolarHBondContact O-N 3Å; R764-H767 PolarHBondContact O-N 3.42Å; G765-H767 VanDerWaalsContact C-N 3.26Å; G765-H767 PolarHBondContact O-N 2.79Å; H767-L770 PolarHBondContact O-N 2.94Å; H767-L771 WeakPolarHBondContact O-CG 3.32Å; H767-L771 PolarHBondContact O-N 3.04Å |
| 768 | E | 84.9 | Confident | 85.6 | Confident | 56 Ų | 56 | 102.1 Ų | 102.1 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 174.9 | -71.9 | -178.6 | -175.8 | 0 | 0 | 111.5 | R764 G765 L771 L772 S825 | R764-E768 IonicContact CZ-OE1 3.54Å; R764-E768 IonicContact NE-OE1 2.86Å; R764-E768 IonicContact NH2-OE1 3.84Å; R764-E768 PolarHBondContact NH2-OE1 3.49Å; R764-E768 PolarHBondContact O-N 3.46Å; R764-E768 VanDerWaalsContact O-N 3.08Å; G765-E768 PolarHBondContact O-N 3.3Å; G765-E768 VanDerWaalsContact O-N 3.15Å; E768-L771 PolarHBondContact O-N 3.12Å; E768-L772 PolarHBondContact O-N 3.47Å; E768-S825 VanDerWaalsContact OE1-CB 3.24Å; E768-S825 WeakPolarHBondContact OE1-CB 3.42Å; E768-S825 WeakPolarHBondContact OE2-CB 3.29Å |
| 769 | D | 86.3 | Confident | 85.4 | Confident | 115 Ų | 115 | 97.7 Ų | 97.7 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 174.2 | -76.5 | -17.8 | 0 | 0 | 0 | 112.2 | G765 L772 L773 | G765-D769 PolarHBondContact O-N 2.87Å; D769-L772 WeakPolarHBondContact O-CB 3.48Å; D769-L772 PolarHBondContact O-N 2.93Å; D769-L773 PolarHBondContact O-N 3.46Å |
| 770 | L | 87.9 | Confident | 85.3 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 177.1 | -164.2 | 76.5 | 0 | 0 | 0 | 111.6 | E766 H767 L772 L773 L774 | E766-L770 WeakPolarHBondContact O-CB 3.44Å; E766-L770 PolarHBondContact O-N 3.18Å; H767-L770 PolarHBondContact O-N 2.94Å; L770-L772 VanDerWaalsContact C-N 3.33Å; L770-L773 PolarHBondContact O-N 3.33Å; L770-L774 HydrophobicContact CG-CD1 4.42Å; L770-L774 WeakPolarHBondContact O-CB 3.43Å; L770-L774 PolarHBondContact O-N 3.31Å |
| 771 | L | 84.6 | Confident | 85.3 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 173.8 | -76.3 | 168.1 | 0 | 0 | 0 | 111.7 | H767 E768 L774 N775 | H767-L771 WeakPolarHBondContact O-CG 3.32Å; H767-L771 PolarHBondContact O-N 3.04Å; E768-L771 PolarHBondContact O-N 3.12Å; L771-L774 PolarHBondContact O-N 3.44Å; L771-N775 PolarHBondContact O-N 3.33Å |
| 772 | L | 86.4 | Confident | 85 | Confident | 126 Ų | 126 | 94.2 Ų | 94.2 | 66% | 0.66 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 174.3 | -161.8 | 91.6 | 0 | 0 | 0 | 111.6 | E768 D769 L770 N775 D776 | E768-L772 PolarHBondContact O-N 3.47Å; D769-L772 WeakPolarHBondContact O-CB 3.48Å; D769-L772 PolarHBondContact O-N 2.93Å; L770-L772 VanDerWaalsContact C-N 3.33Å; L772-N775 PolarHBondContact O-N 3.19Å; L772-D776 PolarHBondContact O-N 3.19Å |
| 773 | L | 85.1 | Confident | 84.8 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.6 | -38.9 | 178.8 | -153 | 88.8 | 0 | 0 | 0 | 112.2 | D769 L770 D776 Q777 | D769-L773 PolarHBondContact O-N 3.46Å; L770-L773 PolarHBondContact O-N 3.33Å; L773-D776 PolarHBondContact O-N 2.98Å; L773-Q777 PolarHBondContact O-N 2.86Å |
| 774 | L | 85 | Confident | 84.7 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 173.3 | -87.5 | 156.4 | 0 | 0 | 0 | 110.9 | L770 L771 D776 Q777 D778 | L770-L774 HydrophobicContact CG-CD1 4.42Å; L770-L774 WeakPolarHBondContact O-CB 3.43Å; L770-L774 PolarHBondContact O-N 3.31Å; L771-L774 PolarHBondContact O-N 3.44Å; L774-D776 PolarHBondContact O-N 3.39Å; L774-Q777 WeakPolarHBondContact O-CB 3.28Å; L774-Q777 PolarHBondContact O-N 2.98Å; L774-Q777 VanDerWaalsContact O-N 3.14Å; L774-D778 PolarHBondContact O-N 3.14Å |
| 775 | N | 84 | Confident | 84.4 | Confident | 102 Ų | 102 | 91.2 Ų | 91.2 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.2 | -169.4 | 41 | 0 | 0 | 0 | 112.5 | L771 L772 Q777 D778 V779 | L771-N775 PolarHBondContact O-N 3.33Å; L772-N775 PolarHBondContact O-N 3.19Å; N775-Q777 VanDerWaalsContact C-N 3.33Å; N775-Q777 PolarHBondContact O-N 3.27Å; N775-D778 PolarHBondContact O-N 3.02Å; N775-V779 WeakPolarHBondContact O-CG2 3.39Å; N775-V779 PolarHBondContact O-N 3.12Å |
| 776 | D | 84.7 | Confident | 84.2 | Confident | 77 Ų | 77 | 94.7 Ų | 94.7 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 174.5 | -173.1 | 56.4 | 0 | 0 | 0 | 112.4 | L772 L773 L774 K780 | L772-D776 PolarHBondContact O-N 3.19Å; L773-D776 PolarHBondContact O-N 2.98Å; L774-D776 PolarHBondContact O-N 3.39Å; D776-K780 WeakPolarHBondContact O-CG 3.1Å; D776-K780 PolarHBondContact O-N 3.33Å; D776-K780 VanDerWaalsContact O-N 3.1Å; D776-K780 WeakPolarHBondContact OD2-CE 3.49Å; D776-K780 IonicContact OD2-NZ 3.41Å; D776-K780 PolarHBondContact OD2-NZ 3.33Å |
| 777 | Q | 85.1 | Confident | 84 | Confident | 107 Ų | 107 | 92.9 Ų | 92.9 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 171.4 | -81.5 | -164.4 | -9.9 | 0 | 0 | 112.1 | L773 L774 N775 V779 K780 I781 | L773-Q777 PolarHBondContact O-N 2.86Å; L774-Q777 WeakPolarHBondContact O-CB 3.28Å; L774-Q777 PolarHBondContact O-N 2.98Å; L774-Q777 VanDerWaalsContact O-N 3.14Å; N775-Q777 VanDerWaalsContact C-N 3.33Å; N775-Q777 PolarHBondContact O-N 3.27Å; Q777-V779 VanDerWaalsContact C-N 3.32Å; Q777-V779 PolarHBondContact O-N 3.01Å; Q777-K780 WeakPolarHBondContact O-CB 3.5Å; Q777-K780 PolarHBondContact O-N 2.93Å; Q777-K780 VanDerWaalsContact O-N 3.1Å; Q777-I781 WeakPolarHBondContact O-CG1 3.34Å; Q777-I781 PolarHBondContact O-N 2.94Å |
| 778 | D | 82.8 | Confident | 83.8 | Confident | 85 Ų | 85 | 90.4 Ų | 90.4 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.4 | -74.5 | -25.1 | 0 | 0 | 0 | 111.4 | L774 N775 K780 I781 M782 | L774-D778 PolarHBondContact O-N 3.14Å; N775-D778 PolarHBondContact O-N 3.02Å; D778-K780 PolarHBondContact O-N 2.92Å; D778-I781 PolarHBondContact O-N 3.09Å; D778-M782 WeakPolarHBondContact O-CG 3.48Å; D778-M782 PolarHBondContact O-N 2.69Å |
| 779 | V | 83.2 | Confident | 83.5 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 30% | 0.303 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 174 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | N775 Q777 M782 K783 | N775-V779 WeakPolarHBondContact O-CG2 3.39Å; N775-V779 PolarHBondContact O-N 3.12Å; Q777-V779 VanDerWaalsContact C-N 3.32Å; Q777-V779 PolarHBondContact O-N 3.01Å; V779-M782 HydrophobicContact CG2-CE 4.17Å; V779-M782 PolarHBondContact O-N 3.01Å; V779-K783 WeakPolarHBondContact O-CG 3.48Å; V779-K783 PolarHBondContact O-N 3.4Å; V779-K783 VanDerWaalsContact O-N 3.07Å |
| 780 | K | 84.8 | Confident | 83.3 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -42 | 175.1 | -79.7 | 167.8 | 179.1 | 149.8 | 0 | 112 | D776 Q777 D778 M782 K783 L784 | D776-K780 WeakPolarHBondContact O-CG 3.1Å; D776-K780 PolarHBondContact O-N 3.33Å; D776-K780 VanDerWaalsContact O-N 3.1Å; D776-K780 WeakPolarHBondContact OD2-CE 3.49Å; D776-K780 IonicContact OD2-NZ 3.41Å; D776-K780 PolarHBondContact OD2-NZ 3.33Å; Q777-K780 WeakPolarHBondContact O-CB 3.5Å; Q777-K780 PolarHBondContact O-N 2.93Å; Q777-K780 VanDerWaalsContact O-N 3.1Å; D778-K780 PolarHBondContact O-N 2.92Å; K780-M782 VanDerWaalsContact C-N 3.34Å; K780-K783 PolarHBondContact O-N 3.33Å; K780-L784 WeakPolarHBondContact O-CG 3.42Å; K780-L784 PolarHBondContact O-N 3.43Å |
| 781 | I | 84.7 | Confident | 83.2 | Confident | 75 Ų | 75 | 97 Ų | 97 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.3 | -70.3 | 167.5 | 0 | 0 | 0 | 109.8 | Q777 D778 K783 L784 C785 | Q777-I781 WeakPolarHBondContact O-CG1 3.34Å; Q777-I781 PolarHBondContact O-N 2.94Å; D778-I781 PolarHBondContact O-N 3.09Å; I781-K783 PolarHBondContact O-N 2.95Å; I781-L784 PolarHBondContact O-N 3.41Å; I781-C785 WeakPolarHBondContact O-CB 3.17Å; I781-C785 PolarHBondContact O-N 3.37Å; I781-C785 PolarHBondContact O-SG 2.68Å |
| 782 | M | 78.7 | Confident | 82.9 | Confident | 92 Ų | 92 | 96 Ų | 96 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 175.4 | -75.8 | -165.8 | -72.6 | 0 | 0 | 112.5 | D778 V779 K780 C785 K786 | D778-M782 WeakPolarHBondContact O-CG 3.48Å; D778-M782 PolarHBondContact O-N 2.69Å; V779-M782 HydrophobicContact CG2-CE 4.17Å; V779-M782 PolarHBondContact O-N 3.01Å; K780-M782 VanDerWaalsContact C-N 3.34Å; M782-C785 PolarHBondContact O-N 3.39Å; M782-K786 PolarHBondContact O-N 3.07Å |
| 783 | K | 82.6 | Confident | 82.3 | Confident | 146 Ų | 146 | 91.6 Ų | 91.6 | 64% | 0.635 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 175.6 | -74.5 | 175.7 | -177.9 | 174.2 | 0 | 112.3 | V779 K780 I781 K786 L787 | V779-K783 WeakPolarHBondContact O-CG 3.48Å; V779-K783 PolarHBondContact O-N 3.4Å; V779-K783 VanDerWaalsContact O-N 3.07Å; K780-K783 PolarHBondContact O-N 3.33Å; I781-K783 PolarHBondContact O-N 2.95Å; K783-K786 PolarHBondContact O-N 3.04Å; K783-L787 PolarHBondContact O-N 2.87Å |
| 784 | L | 83.1 | Confident | 81.9 | Confident | 110 Ų | 110 | 94.5 Ų | 94.5 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -41.2 | 176.9 | -73 | 170 | 0 | 0 | 0 | 111.6 | K780 I781 K786 L787 V788 | K780-L784 WeakPolarHBondContact O-CG 3.42Å; K780-L784 PolarHBondContact O-N 3.43Å; I781-L784 PolarHBondContact O-N 3.41Å; L784-K786 VanDerWaalsContact C-N 3.33Å; L784-K786 PolarHBondContact O-N 2.65Å; L784-L787 PolarHBondContact O-N 2.96Å; L784-V788 VanDerWaalsContact O-CG2 3.32Å; L784-V788 WeakPolarHBondContact O-CG2 3.5Å; L784-V788 PolarHBondContact O-N 3.29Å |
| 785 | C | 79.9 | Confident | 81.2 | Confident | 12 Ų | 12 | 91.7 Ų | 91.7 | 8% | 0.081 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 173.5 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | I781 M782 L787 V788 R789 I795 L801 | I781-C785 WeakPolarHBondContact O-CB 3.17Å; I781-C785 PolarHBondContact O-N 3.37Å; I781-C785 PolarHBondContact O-SG 2.68Å; M782-C785 PolarHBondContact O-N 3.39Å; C785-L787 PolarHBondContact O-N 2.86Å; C785-V788 PolarHBondContact O-N 3.49Å; C785-R789 PolarHBondContact O-N 3.4Å; C785-I795 HydrophobicContact CB-CD1 3.95Å; C785-I795 WeakPolarHBondContact O-CD1 3.43Å; C785-L801 HydrophobicContact CB-CD1 4.22Å |
| 786 | K | 80 | Confident | 80.5 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.1 | -170.2 | 177.3 | 177.8 | 178.5 | 0 | 112.3 | M782 K783 L784 R789 E790 | M782-K786 PolarHBondContact O-N 3.07Å; K783-K786 PolarHBondContact O-N 3.04Å; L784-K786 VanDerWaalsContact C-N 3.33Å; L784-K786 PolarHBondContact O-N 2.65Å; K786-R789 PolarHBondContact O-N 2.93Å; K786-E790 VanDerWaalsContact CE-OE1 3.27Å; K786-E790 WeakPolarHBondContact CE-OE1 3.39Å; K786-E790 WeakPolarHBondContact O-CG 3.12Å; K786-E790 PolarHBondContact O-N 2.95Å |
| 787 | L | 83.1 | Confident | 79.3 | Confident | 88 Ų | 88 | 94 Ų | 94 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.4 | -171.5 | 72.3 | 0 | 0 | 0 | 112.6 | K783 L784 C785 R789 E790 L791 | K783-L787 PolarHBondContact O-N 2.87Å; L784-L787 PolarHBondContact O-N 2.96Å; C785-L787 PolarHBondContact O-N 2.86Å; L787-R789 VanDerWaalsContact C-N 3.31Å; L787-R789 PolarHBondContact O-N 3.2Å; L787-E790 PolarHBondContact O-N 3Å; L787-L791 HydrophobicContact CG-CD1 4.1Å; L787-L791 WeakPolarHBondContact O-CB 3.45Å; L787-L791 WeakPolarHBondContact O-CG 3.47Å; L787-L791 PolarHBondContact O-N 3.2Å |
| 788 | V | 83.8 | Confident | 78 | Confident | 62 Ų | 62 | 96 Ų | 96 | 38% | 0.376 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L784 C785 L791 G792 G793 I795 | L784-V788 VanDerWaalsContact O-CG2 3.32Å; L784-V788 WeakPolarHBondContact O-CG2 3.5Å; L784-V788 PolarHBondContact O-N 3.29Å; C785-V788 PolarHBondContact O-N 3.49Å; V788-L791 PolarHBondContact O-N 2.98Å; V788-G792 PolarHBondContact O-N 3.03Å; V788-G793 WeakPolarHBondContact O-CA 3.49Å; V788-G793 PolarHBondContact O-N 2.66Å; V788-I795 HydrophobicContact CB-CD1 4.14Å; V788-I795 HydrophobicContact CB-CG1 4.25Å; V788-I795 HydrophobicContact CG1-CD1 4.18Å; V788-I795 HydrophobicContact CG1-CG1 3.79Å |
| 789 | R | 78.2 | Confident | 76.8 | Confident | 139 Ų | 139 | 95.4 Ų | 95.4 | 53% | 0.525 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.6 | -168.2 | 179 | -70.7 | 164.1 | -4.4 | 111.9 | C785 K786 L787 L791 G792 I795 | C785-R789 PolarHBondContact O-N 3.4Å; K786-R789 PolarHBondContact O-N 2.93Å; L787-R789 VanDerWaalsContact C-N 3.31Å; L787-R789 PolarHBondContact O-N 3.2Å; R789-L791 VanDerWaalsContact C-N 3.26Å; R789-L791 PolarHBondContact O-N 2.59Å; R789-G792 PolarHBondContact O-N 3.43Å; R789-I795 HydrophobicContact CB-CD1 4Å |
| 790 | E | 81.8 | Confident | 75.1 | Confident | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -29.4 | 175.6 | -73.5 | 172 | -174.3 | 0 | 0 | 112.8 | K786 L787 G792 | K786-E790 VanDerWaalsContact CE-OE1 3.27Å; K786-E790 WeakPolarHBondContact CE-OE1 3.39Å; K786-E790 WeakPolarHBondContact O-CG 3.12Å; K786-E790 PolarHBondContact O-N 2.95Å; L787-E790 PolarHBondContact O-N 3Å; E790-G792 VanDerWaalsContact C-N 3.34Å |
| 791 | L | 85.6 | Confident | 73.2 | Confident | 137 Ų | 137 | 94.3 Ų | 94.3 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 4.5 | 176.3 | -67.2 | 171.3 | 0 | 0 | 0 | 114 | L787 V788 R789 | L787-L791 HydrophobicContact CG-CD1 4.1Å; L787-L791 WeakPolarHBondContact O-CB 3.45Å; L787-L791 WeakPolarHBondContact O-CG 3.47Å; L787-L791 PolarHBondContact O-N 3.2Å; V788-L791 PolarHBondContact O-N 2.98Å; R789-L791 VanDerWaalsContact C-N 3.26Å; R789-L791 PolarHBondContact O-N 2.59Å |
| 792 | G | 78.1 | Confident | 71.1 | Confident | 72 Ų | 72 | 93.6 Ų | 93.6 | 74% | 0.742 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 15.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V788 R789 E790 | V788-G792 PolarHBondContact O-N 3.03Å; R789-G792 PolarHBondContact O-N 3.43Å; E790-G792 VanDerWaalsContact C-N 3.34Å |
| 793 | G | 74.8 | Confident | 68.9 | Low | 34 Ų | 34 | 97 Ų | 97 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | trans | -81.8 | 142.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V788 | V788-G793 WeakPolarHBondContact O-CA 3.49Å; V788-G793 PolarHBondContact O-N 2.66Å | ||
| 794 | H | 76.4 | Confident | 66.7 | Low | 169 Ų | 169 | 96.6 Ų | 96.6 | 78% | 0.782 | 56% | 0.556 | S | S | * | * | trans | -78.5 | 133 | 174.4 | -171.7 | -75.7 | 0 | 0 | 0 | 110.4 | ||||
| 795 | I | 69.8 | Low | 64.3 | Low | 23 Ų | 23 | 96.8 Ų | 96.8 | 12% | 0.118 | 56% | 0.557 | C | S | . | * | trans | -117.1 | 129.1 | 176.8 | -57.7 | 166.4 | 0 | 0 | 0 | 107.1 | C785 V788 R789 I799 | C785-I795 HydrophobicContact CB-CD1 3.95Å; C785-I795 WeakPolarHBondContact O-CD1 3.43Å; V788-I795 HydrophobicContact CB-CD1 4.14Å; V788-I795 HydrophobicContact CB-CG1 4.25Å; V788-I795 HydrophobicContact CG1-CD1 4.18Å; V788-I795 HydrophobicContact CG1-CG1 3.79Å; R789-I795 HydrophobicContact CB-CD1 4Å; I795-I799 HydrophobicContact CG2-CB 4.4Å; I795-I799 HydrophobicContact CG2-CD1 3.81Å; I795-I799 HydrophobicContact CG2-CG1 4.39Å | ||
| 796 | P | 70.1 | Confident | 62 | Low | 73 Ų | 73 | 103.3 Ų | 103.3 | 47% | 0.474 | 59% | 0.591 | S | S | . | * | trans | -54.8 | 138.7 | 176.5 | -22.7 | 32.8 | 0 | 0 | 0 | 111.3 | D798 I799 | P796-D798 PolarHBondContact O-N 2.91Å; P796-I799 PolarHBondContact O-N 2.92Å | ||
| 797 | N | 57.8 | Low | 59.8 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -10.3 | -178.4 | -70.9 | -24.9 | 0 | 0 | 0 | 113.3 | I799 | N797-I799 VanDerWaalsContact C-N 3.29Å; N797-I799 PolarHBondContact O-N 2.99Å |
| 798 | D | 59.7 | Low | 57.5 | Low | 149 Ų | 149 | 109.1 Ų | 109.1 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.1 | -176.1 | -43.9 | -38 | 0 | 0 | 0 | 112.7 | P796 G800 | P796-D798 PolarHBondContact O-N 2.91Å; D798-G800 PolarHBondContact O-N 3.39Å |
| 799 | I | 56.5 | Low | 54.9 | Low | 72 Ų | 72 | 112.4 Ų | 112.4 | 37% | 0.369 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -87.9 | 88.2 | 169.5 | -49.6 | -177.2 | 0 | 0 | 0 | 107.4 | I795 P796 N797 L801 | I795-I799 HydrophobicContact CG2-CB 4.4Å; I795-I799 HydrophobicContact CG2-CD1 3.81Å; I795-I799 HydrophobicContact CG2-CG1 4.39Å; P796-I799 PolarHBondContact O-N 2.92Å; N797-I799 VanDerWaalsContact C-N 3.29Å; N797-I799 PolarHBondContact O-N 2.99Å; I799-L801 PolarHBondContact O-N 2.91Å |
| 800 | G | 47.4 | Very low | 52.7 | Low | 72 Ų | 72 | 112.2 Ų | 112.2 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | trans | -55.3 | 89.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D798 G802 | D798-G800 PolarHBondContact O-N 3.39Å; G800-G802 VanDerWaalsContact C-N 3.27Å; G800-G802 PolarHBondContact O-N 3.21Å; G800-G802 VanDerWaalsContact O-N 3.12Å | ||
| 801 | L | 44.5 | Very low | 50.2 | Low | 67 Ų | 67 | 112.6 Ų | 112.6 | 35% | 0.351 | 67% | 0.672 | S | S | . | * | trans | -80.4 | 74.3 | 164 | -91.9 | 116.7 | 0 | 0 | 0 | 109.2 | C785 I799 | C785-L801 HydrophobicContact CB-CD1 4.22Å; I799-L801 PolarHBondContact O-N 2.91Å | ||
| 802 | G | 40.3 | Very low | 47.7 | Very low | 61 Ų | 61 | 112.8 Ų | 112.8 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | -89.7 | 108.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | G800 | G800-G802 VanDerWaalsContact C-N 3.27Å; G800-G802 PolarHBondContact O-N 3.21Å; G800-G802 VanDerWaalsContact O-N 3.12Å | ||
| 803 | N | 33.2 | Very low | 45.6 | Very low | 163 Ų | 163 | 117 Ų | 117 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 53.1 | 63.5 | 156.2 | -61.7 | -8.8 | 0 | 0 | 0 | 120 | ||
| 804 | V | 35.9 | Very low | 43.6 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | trans | -141.8 | 65.9 | 157.3 | -167.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 805 | I | 34.3 | Very low | 41.4 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 59% | 0.59 | 69% | 0.685 | S | S | * | * | trans | -148.7 | 93 | 164.1 | -51.8 | 178.6 | 0 | 0 | 0 | 109.3 | ||||
| 806 | D | 31.1 | Very low | 39.4 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | 177.3 | 93.4 | 134.7 | -98.7 | -12.5 | 0 | 0 | 0 | 109.4 | ||||
| 807 | S | 32.5 | Very low | 37.4 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -168.7 | 83.7 | 154.7 | -76.5 | 0 | 0 | 0 | 0 | 107.7 | V809 | S807-V809 PolarHBondContact O-N 2.81Š| ||
| 808 | Q | 35.3 | Very low | 36 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 74% | 0.735 | S | S | * | * | trans | -65.2 | 121.4 | 165.9 | -74.3 | -177.5 | -7.4 | 0 | 0 | 109.4 | T810 | Q808-T810 PolarHBondContact O-N 3.32Š| ||
| 809 | V | 29.9 | Very low | 34.5 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 2.2 | 104.6 | 142.3 | -174 | 0 | 0 | 0 | 0 | 115.2 | S807 | S807-V809 PolarHBondContact O-N 2.81Š| ||
| 810 | T | 32.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -137.8 | 119.4 | 141.1 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | Q808 N812 | Q808-T810 PolarHBondContact O-N 3.32Å; T810-N812 PolarHBondContact O-N 3.33Å | ||
| 811 | D | 29.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -50.7 | 125.5 | 169.9 | -69.9 | -50.2 | 0 | 0 | 0 | 111.4 | ||||
| 812 | N | 32.9 | Very low | 31.6 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 155.3 | 123.1 | 130.6 | -81.6 | -45.5 | 0 | 0 | 0 | 112.4 | T810 | T810-N812 PolarHBondContact O-N 3.33Š| ||
| 813 | H | 33.3 | Very low | 31 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 63.9 | 115.9 | 150.2 | -74.1 | -75.1 | 0 | 0 | 0 | 121.2 | ||||
| 814 | H | 32.4 | Very low | 30.8 | Very low | 158 Ų | 158 | 150 Ų | 150 | 73% | 0.731 | 80% | 0.796 | S | S | * | * | trans | 85.4 | 116.5 | 139.7 | -79.4 | -10.6 | 0 | 0 | 0 | 121.1 | ||||
| 815 | N | 30.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | trans | 84.1 | 108.4 | 136 | -69.9 | -10.4 | 0 | 0 | 0 | 119.3 | ||||
| 816 | Q | 28.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 57 | 102 | 129.2 | -65.8 | 177.2 | 0.2 | 0 | 0 | 115.9 | |||||
| 817 | L | 28.1 | Very low | 29.8 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | 172.2 | 96.3 | 125.5 | -88.2 | 154.7 | 0 | 0 | 0 | 108.3 | |||||
| 818 | S | 28.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -143.6 | 127.1 | 167.6 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 819 | E | 28.6 | Very low | 29.1 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 74.6 | 92 | 143.8 | -61.7 | 169.2 | -176.5 | 0 | 0 | 118.6 | ||||
| 820 | E | 28.7 | Very low | 29 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -125.7 | 95.4 | 147.1 | -81.4 | -172 | 164.4 | 0 | 0 | 107.9 | ||||
| 821 | N | 28.5 | Very low | 28.6 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 171.4 | 66.7 | 147.5 | -88.1 | -26.4 | 0 | 0 | 0 | 111.4 | ||||
| 822 | T | 30.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -162.4 | 109.3 | 155.6 | 27.3 | 0 | 0 | 0 | 0 | 109.4 | Q824 | T822-Q824 PolarHBondContact O-N 3.18Š|
| 823 | N | 27.8 | Very low | 28.1 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 27.5 | 92.3 | 144 | -60.3 | -28.8 | 0 | 0 | 0 | 116.6 | ||||
| 824 | Q | 29.3 | Very low | 27.7 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -93.5 | 107.9 | 152.6 | -92.4 | -178 | -0.4 | 0 | 0 | 109.8 | T822 | T822-Q824 PolarHBondContact O-N 3.18Š| ||
| 825 | S | 27.8 | Very low | 27.4 | Very low | 68 Ų | 68 | 145 Ų | 145 | 48% | 0.476 | 78% | 0.777 | S | S | . | * | trans | -60.3 | 169.1 | 159.9 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | E768 | E768-S825 VanDerWaalsContact OE1-CB 3.24Å; E768-S825 WeakPolarHBondContact OE1-CB 3.42Å; E768-S825 WeakPolarHBondContact OE2-CB 3.29Å | ||
| 826 | L | 25.5 | Very low | 27.2 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 67% | 0.665 | 79% | 0.79 | S | S | * | * | trans | -53.9 | 141.4 | -171.2 | -82 | 72.6 | 0 | 0 | 0 | 114.2 | ||||
| 827 | S | 26.2 | Very low | 27.1 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -147.1 | 122.5 | 143.4 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 828 | T | 26 | Very low | 27 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | 83.6 | 80.7 | 145.4 | -36.1 | 0 | 0 | 0 | 0 | 118.2 | R830 | T828-R830 HydrophobicContact CG2-CG 4.05Š| ||
| 829 | F | 27.5 | Very low | 26.9 | Very low | 221 Ų | 221 | 145.3 Ų | 145.3 | 97% | 0.969 | 78% | 0.781 | S | S | * | * | trans | -95.2 | 93.1 | 143.7 | -92.5 | -79.7 | 0 | 0 | 0 | 109.4 | T831 | F829-T831 PolarHBondContact O-N 3.46Š| ||
| 830 | R | 26.9 | Very low | 26.7 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | trans | -63.6 | 126.2 | 162.4 | -93.9 | -179.6 | 175.8 | -179.6 | -0.5 | 108.9 | T828 I832 | T828-R830 HydrophobicContact CG2-CG 4.05Å; R830-I832 PolarHBondContact O-N 3.26Å | ||
| 831 | T | 23.8 | Very low | 26.7 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -41.6 | 119.5 | 151 | 14.1 | 0 | 0 | 0 | 0 | 111 | F829 | F829-T831 PolarHBondContact O-N 3.46Š| ||
| 832 | I | 27.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -112 | 113.2 | 158.7 | -60.9 | 177 | 0 | 0 | 0 | 106.6 | R830 | R830-I832 PolarHBondContact O-N 3.26Š| ||
| 833 | P | 24.4 | Very low | 26.3 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | -87.6 | 168.9 | 170.4 | 34.4 | -29.6 | 0 | 0 | 0 | 111.2 | ||||
| 834 | S | 25.2 | Very low | 26.2 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 89.9 | 106.2 | 155 | 62.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 835 | T | 25.2 | Very low | 26.1 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | 66 | 105.9 | 125.5 | 61.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 836 | L | 27.1 | Very low | 25.9 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | -147 | 147.5 | 133.8 | -107.1 | 117.1 | 0 | 0 | 0 | 109.9 | ||||
| 837 | P | 26.5 | Very low | 25.9 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -95.7 | 158.2 | -144.4 | 35.3 | -32.1 | 0 | 0 | 0 | 115.5 | D839 | P837-D839 PolarHBondContact O-N 3.33Š| ||
| 838 | L | 25.2 | Very low | 25.7 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -39.2 | 126 | 154.2 | -104.3 | 73.4 | 0 | 0 | 0 | 111 | ||||
| 839 | D | 25.8 | Very low | 25.8 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | 175.6 | 147.2 | 111 | -89.4 | -28.1 | 0 | 0 | 0 | 111.4 | P837 | P837-D839 PolarHBondContact O-N 3.33Š| |||
| 840 | T | 26.1 | Very low | 25.6 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 78.5 | 89.1 | 165.8 | 4.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 841 | L | 28.7 | Very low | 25.5 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -169.3 | 123.8 | 108.4 | -94.2 | 158.7 | 0 | 0 | 0 | 110.1 | |||||
| 842 | Q | 26.1 | Very low | 25.8 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -57.6 | 136.1 | -170.3 | -80.3 | 132.3 | -62.8 | 0 | 0 | 115.1 | ||||
| 843 | C | 23.4 | Very low | 25.7 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -62 | 163 | 150.1 | -71.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 844 | P | 27.1 | Very low | 25.9 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -136.8 | 147.4 | 100.9 | 32.1 | -17.6 | 0 | 0 | 0 | 114.9 | |||||
| 845 | A | 25.5 | Very low | 25.9 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | trans | -34.6 | 141.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 846 | N | 25.2 | Very low | 26.2 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | 167.2 | 94.3 | 124.9 | -83.2 | -18.1 | 0 | 0 | 0 | 109.4 | |||||
| 847 | F | 24.8 | Very low | 26.1 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -105.5 | 93.2 | 160 | -99.2 | -81.9 | 0 | 0 | 0 | 108.6 | ||||
| 848 | S | 22.6 | Very low | 26.2 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | -127.9 | 107.7 | 157.5 | 53.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 849 | F | 27.3 | Very low | 26.3 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -121.7 | 91.8 | 158.5 | -96.7 | -78.3 | 0 | 0 | 0 | 108.5 | ||||
| 850 | T | 24 | Very low | 26.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -61.9 | 138.6 | 154.4 | 41.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 851 | T | 24.1 | Very low | 26.5 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -21.4 | 133.7 | 157.3 | 21.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 852 | S | 30.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -140.4 | 120.9 | 156 | -70.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 853 | E | 26 | Very low | 26.4 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -63.1 | 139.2 | -178.1 | -59.7 | 168.1 | 136.7 | 0 | 0 | 111.7 | ||||
| 854 | L | 27.5 | Very low | 26.5 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | trans | -125.3 | 91.5 | 146.1 | -85.8 | 169.8 | 0 | 0 | 0 | 107.4 | ||||
| 855 | T | 25.3 | Very low | 26.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -74.3 | 121.3 | 165.5 | 36.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 856 | L | 30.7 | Very low | 26.6 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -126.2 | 93.4 | 147.8 | -96.7 | 159.2 | 0 | 0 | 0 | 107.2 | ||||
| 857 | S | 25.9 | Very low | 26.5 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -30.8 | 152 | 154.2 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 858 | S | 28 | Very low | 26.7 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | cis | -177.2 | 156.4 | 34.7 | -15.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 859 | N | 28.2 | Very low | 26.8 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 73.1 | 133.1 | 151.3 | -56.4 | -13.3 | 0 | 0 | 0 | 116.4 | ||||
| 860 | S | 26.1 | Very low | 26.7 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | 169.9 | 144.7 | -5.7 | 43.2 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 861 | I | 29.8 | Very low | 26.8 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 142.9 | 104 | 136.4 | -69.9 | 155.1 | 0 | 0 | 0 | 110.7 | ||||
| 862 | S | 24 | Very low | 26.9 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -46.2 | 136.8 | 155.1 | 47.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 863 | T | 27.9 | Very low | 26.8 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -162.5 | 104.5 | 145.5 | 33.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 864 | S | 25.3 | Very low | 27 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 40 | 110.7 | 82.8 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 865 | T | 26.3 | Very low | 27.1 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -36.8 | 146.5 | 158 | 38.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 866 | P | 28.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -151.9 | 166.2 | 85.7 | 36.1 | -15.1 | 0 | 0 | 0 | 116.8 | |||||
| 867 | S | 24.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -43.8 | 151.8 | 158.8 | 45.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 868 | S | 28.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 134.1 | 120.4 | 133.3 | -54.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 869 | Y | 24.4 | Very low | 28.4 | Very low | 229 Ų | 229 | 133.9 Ų | 133.9 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | trans | -9.8 | 130.7 | 149.3 | -76.5 | -98.3 | 0 | 0 | 0 | 116.9 | ||||
| 870 | C | 27 | Very low | 28.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 86% | 0.858 | 75% | 0.749 | S | S | * | * | -179.4 | 132.2 | 110.3 | -101.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 871 | V | 24.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | -53.6 | 140.4 | 164.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 872 | Y | 27.3 | Very low | 29.5 | Very low | 223 Ų | 223 | 136 Ų | 136 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | -171.8 | 122.3 | 128.3 | -109.9 | -78.1 | 0 | 0 | 0 | 112.9 | |||||
| 873 | N | 27.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -27.8 | 139 | 156.8 | -99 | -13.5 | 0 | 0 | 0 | 116.3 | ||||
| 874 | N | 30.2 | Very low | 30.4 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | 166.9 | 128.6 | 98 | -102.7 | -23 | 0 | 0 | 0 | 113.3 | |||||
| 875 | N | 29.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | trans | 47.2 | 116.1 | 130.2 | -63.3 | -14.8 | 0 | 0 | 0 | 121.1 | ||||
| 876 | N | 33.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 163 | 114.6 | 105.3 | -85.7 | -32.8 | 0 | 0 | 0 | 109.2 | |||||
| 877 | N | 32 | Very low | 31.3 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | 55.1 | 110.4 | 104.1 | -87.3 | -4.8 | 0 | 0 | 0 | 114.5 | |||||
| 878 | D | 36.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | -176.9 | 117.3 | 102.6 | -96 | -36.6 | 0 | 0 | 0 | 113.6 | |||||
| 879 | N | 34.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | 32.4 | 120.1 | 125.9 | -66.2 | -46.7 | 0 | 0 | 0 | 120.1 | |||||
| 880 | N | 35.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 166 | 122.1 | 91.5 | -100.9 | -36.6 | 0 | 0 | 0 | 113.7 | |||||
| 881 | N | 33.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | 25.4 | 127.6 | 132 | -70.5 | -28.3 | 0 | 0 | 0 | 120.5 | ||||
| 882 | N | 37.6 | Very low | 33 | Very low | 170 Ų | 170 | 139 Ų | 139 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | -157.6 | 127.3 | 115.5 | -99.5 | -25.7 | 0 | 0 | 0 | 113.7 | |||||
| 883 | N | 32.6 | Very low | 33.2 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | -67.4 | 153.4 | 173.8 | -71.5 | -45.1 | 0 | 0 | 0 | 113.1 | ||||
| 884 | N | 38.4 | Very low | 33.4 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -175.2 | 97.4 | 132.7 | -86.5 | -26 | 0 | 0 | 0 | 108.5 | ||||
| 885 | N | 34.2 | Very low | 33.2 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 65.8 | 128 | 83.6 | -93.9 | -11.4 | 0 | 0 | 0 | 116.9 | |||||
| 886 | L | 33.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 81 | 133.9 | 149.3 | -62.3 | 153.2 | 0 | 0 | 0 | 115.7 | ||||
| 887 | L | 33.7 | Very low | 32.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | -167 | 147.1 | 22.6 | -105.6 | 143.7 | 0 | 0 | 0 | 110.5 | ||||
| 888 | H | 30.9 | Very low | 32.7 | Very low | 158 Ų | 158 | 139 Ų | 139 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | trans | -0.8 | 134.4 | 149.1 | -93.6 | -91.1 | 0 | 0 | 0 | 119.9 | ||||
| 889 | T | 32.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | -158.7 | 136.8 | 118.8 | 36.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 890 | S | 30.7 | Very low | 31.8 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 169 | 179.3 | -37.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 891 | P | 32.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89 | 167.8 | -152.1 | 37.6 | -36.4 | 0 | 0 | 0 | 114.2 | ||
| 892 | P | 35.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 137.1 | 161.1 | 34.7 | -25.4 | 0 | 0 | 0 | 111.4 | ||
| 893 | P | 32 | Very low | 30.4 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 126.4 | 164 | 33.3 | -23.7 | 0 | 0 | 0 | 109.5 | ||
| 894 | L | 31.8 | Very low | 30.2 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -145.8 | 119.1 | 164.2 | -84.4 | 176.2 | 0 | 0 | 0 | 112.3 | ||||
| 895 | L | 26.2 | Very low | 29.6 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -49.9 | 134.7 | 166.2 | -69.8 | 125.8 | 0 | 0 | 0 | 113.2 | ||||
| 896 | S | 28.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -160.7 | 121.3 | 136.4 | 57.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 897 | H | 26.3 | Very low | 29 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | -40.4 | 138 | 170.2 | -63.7 | -91.1 | 0 | 0 | 0 | 114.8 | ||||
| 898 | T | 28.8 | Very low | 28.6 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | -168.9 | 127.9 | 116.9 | 38.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 899 | N | 25.6 | Very low | 28.3 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 136.5 | 171.6 | -65.5 | -34.3 | 0 | 0 | 0 | 111.9 | ||||
| 900 | S | 26.8 | Very low | 28 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 176.5 | 97.9 | 125.2 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 901 | A | 25.5 | Very low | 27.8 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -70.2 | 167.4 | 155 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 902 | Q | 25.2 | Very low | 27.4 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 98.5 | 117.2 | 157.4 | -68.8 | 163.5 | -45.1 | 0 | 0 | 118.2 | ||||
| 903 | N | 26.4 | Very low | 27 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 51% | 0.513 | 77% | 0.771 | S | S | . | * | trans | 84.2 | 98.1 | 141.9 | -58 | -9.8 | 0 | 0 | 0 | 118.3 | ||||
| 904 | V | 28 | Very low | 26.8 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -133.5 | 84.9 | 131.9 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 905 | I | 26.4 | Very low | 26.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -98.3 | 94 | 163.2 | -65 | 176 | 0 | 0 | 0 | 105 | S907 | I905-S907 PolarHBondContact O-N 3.41Š| ||
| 906 | M | 29.1 | Very low | 26.4 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 44% | 0.438 | 76% | 0.763 | S | S | . | * | trans | -72.9 | 106.3 | 161 | -105.3 | -167.6 | 168.2 | 0 | 0 | 107.8 | I152 E193 K196 T908 | I152-M906 HydrophobicContact CD1-CE 4.2Å; I152-M906 HydrophobicContact CG1-CE 3.96Å; E193-M906 WeakPolarHBondContact OE2-CE 3.25Å; K196-M906 PolarHBondContact NZ-SD 2.98Å; M906-T908 PolarHBondContact O-N 3.19Å | ||
| 907 | S | 25.1 | Very low | 26.2 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -46.3 | 102 | 171.3 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | I905 | I905-S907 PolarHBondContact O-N 3.41Š| ||
| 908 | T | 26.4 | Very low | 26.1 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -113.9 | 119.8 | 136.2 | 46.6 | 0 | 0 | 0 | 0 | 106.7 | M906 T910 | M906-T908 PolarHBondContact O-N 3.19Å; T908-T910 PolarHBondContact O-N 3.15Å; T908-T910 VanDerWaalsContact O-N 3.07Å | ||
| 909 | T | 23.4 | Very low | 25.9 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -55 | 108.1 | -174.3 | 34 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 910 | T | 26.5 | Very low | 25.9 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -128.5 | 131.4 | 156.2 | 38.7 | 0 | 0 | 0 | 0 | 108.3 | T908 T912 | T908-T910 PolarHBondContact O-N 3.15Å; T908-T910 VanDerWaalsContact O-N 3.07Å; T910-T912 PolarHBondContact O-N 2.91Å | ||
| 911 | P | 27.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -72.7 | 131.9 | -173.8 | 29 | -31.2 | 0 | 0 | 0 | 110.4 | T913 | P911-T913 PolarHBondContact O-N 2.93Š| ||
| 912 | T | 24.1 | Very low | 26 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -35.1 | 120.5 | 168.9 | 48 | 0 | 0 | 0 | 0 | 113.6 | T910 | T910-T912 PolarHBondContact O-N 2.91Š| ||
| 913 | T | 28 | Very low | 26.1 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -104.9 | 119.7 | 159.9 | 7.8 | 0 | 0 | 0 | 0 | 109.4 | P911 | P911-T913 PolarHBondContact O-N 2.93Š| ||
| 914 | N | 27.3 | Very low | 26.1 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | -53.3 | 141.9 | 175.3 | -79.4 | -42.5 | 0 | 0 | 0 | 112 | Y916 | N914-Y916 HydrophobicContact CB-CD2 4.28Å; N914-Y916 HydrophobicContact CB-CE2 4.07Å; N914-Y916 PolarHBondContact O-N 3.33Å | ||
| 915 | Q | 23.2 | Very low | 26 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -50 | 108.5 | 167.3 | -71 | 175.3 | -21.4 | 0 | 0 | 110.6 | ||||
| 916 | Y | 26.9 | Very low | 26 | Very low | 180 Ų | 180 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -125.6 | 116.7 | 160.6 | -79.4 | -80.3 | 0 | 0 | 0 | 108.5 | N914 Y918 | N914-Y916 HydrophobicContact CB-CD2 4.28Å; N914-Y916 HydrophobicContact CB-CE2 4.07Å; N914-Y916 PolarHBondContact O-N 3.33Å; Y916-Y918 PolarHBondContact O-N 3Å | ||
| 917 | Y | 23.1 | Very low | 25.8 | Very low | 239 Ų | 239 | 139.2 Ų | 139.2 | 94% | 0.937 | 76% | 0.756 | S | S | * | * | trans | -51.2 | 114.3 | 163.6 | -106.6 | -100.4 | 0 | 0 | 0 | 109 | ||||
| 918 | Y | 25.6 | Very low | 25.9 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | -108.8 | 129 | 166.8 | -89.7 | -83.2 | 0 | 0 | 0 | 110 | Y916 | Y916-Y918 PolarHBondContact O-N 3Š| ||
| 919 | P | 24.7 | Very low | 25.8 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -73.5 | 146.5 | 176.2 | 30.6 | -31.2 | 0 | 0 | 0 | 110.5 | G921 | P919-G921 PolarHBondContact O-N 2.69Å; P919-G921 VanDerWaalsContact O-N 3.11Å | ||
| 920 | Q | 24.2 | Very low | 26 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -42.3 | 112.6 | 173.9 | -76.1 | 175.3 | -33 | 0 | 0 | 111.9 | ||||
| 921 | G | 28.5 | Very low | 26 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -96.7 | 117.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P919 F923 | P919-G921 PolarHBondContact O-N 2.69Å; P919-G921 VanDerWaalsContact O-N 3.11Å; G921-F923 PolarHBondContact O-N 2.98Å | ||
| 922 | Y | 26.9 | Very low | 25.8 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | -55.4 | 116.2 | -175.8 | -78.2 | -106.6 | 0 | 0 | 0 | 114.2 | N924 | Y922-N924 VanDerWaalsContact C-N 3.27Å; Y922-N924 PolarHBondContact O-N 3.04Å | ||
| 923 | F | 28.2 | Very low | 25.9 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 34% | 0.342 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -86.1 | 76 | 147.5 | -117.3 | -91.4 | 0 | 0 | 0 | 107 | S328 L335 G921 | S328-F923 VanDerWaalsContact CB-CB 3.46Å; L335-F923 HydrophobicContact CD2-CE2 4.41Å; G921-F923 PolarHBondContact O-N 2.98Å |
| 924 | N | 25.7 | Very low | 25.8 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -170.5 | 136.8 | 163.3 | -99 | -26.4 | 0 | 0 | 0 | 109.2 | Y922 | Y922-N924 VanDerWaalsContact C-N 3.27Å; Y922-N924 PolarHBondContact O-N 3.04Å | ||
| 925 | A | 25.7 | Very low | 25.7 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | 80.2 | 73.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | T927 | A925-T927 PolarHBondContact O-N 2.82Š| ||
| 926 | V | 27 | Very low | 25.8 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -86.7 | 75.4 | 141.6 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 927 | T | 25.3 | Very low | 25.8 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | -116.3 | 69.8 | 159.5 | 38.6 | 0 | 0 | 0 | 0 | 107.7 | A925 N929 | A925-T927 PolarHBondContact O-N 2.82Å; T927-N929 PolarHBondContact O-N 2.69Å | ||
| 928 | Q | 26.6 | Very low | 26 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -79 | 100.7 | 155.8 | -81.7 | -169.3 | -9.2 | 0 | 0 | 107.7 | Y930 | Q928-Y930 PolarHBondContact O-N 3.14Š| ||
| 929 | N | 24.2 | Very low | 26.1 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -55.9 | 102.2 | 165.2 | -78.7 | -35.6 | 0 | 0 | 0 | 109.2 | T927 | T927-N929 PolarHBondContact O-N 2.69Š| ||
| 930 | Y | 26.2 | Very low | 26.2 | Very low | 185 Ų | 185 | 122.6 Ų | 122.6 | 73% | 0.725 | 69% | 0.693 | S | S | * | * | trans | -79.7 | 131.7 | 156.4 | -79.5 | -86.4 | 0 | 0 | 0 | 108.2 | Q928 C932 | Q928-Y930 PolarHBondContact O-N 3.14Å; Y930-C932 PolarHBondContact O-N 3.34Å | ||
| 931 | P | 27.3 | Very low | 26.6 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | trans | -68.3 | 117.3 | -179.3 | 26.4 | -30.4 | 0 | 0 | 0 | 109.8 | S933 | P931-S933 PolarHBondContact O-N 3.17Š| ||
| 932 | C | 23.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 88% | 0.878 | 65% | 0.652 | S | S | * | * | trans | -78.6 | 100.3 | 171.7 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | Y930 | Y930-C932 PolarHBondContact O-N 3.34Š| ||
| 933 | S | 26.9 | Very low | 26.6 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -94.7 | 129.3 | 164.1 | 54.8 | 0 | 0 | 0 | 0 | 110 | P931 | P931-S933 PolarHBondContact O-N 3.17Š| ||
| 934 | Q | 25.2 | Very low | 26.4 | Very low | 179 Ų | 179 | 115.2 Ų | 115.2 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -67.2 | 148 | -174.7 | -67.5 | 173.6 | -17.7 | 0 | 0 | 113.1 | ||||
| 935 | S | 25.1 | Very low | 26.7 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | 88.3 | 125.2 | 157.6 | 77.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 936 | S | 26 | Very low | 26.7 | Very low | 100 Ų | 100 | 116 Ų | 116 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | trans | 105.4 | 93.4 | 154.4 | -45.7 | 0 | 0 | 0 | 0 | 117.7 | S938 | S936-S938 PolarHBondContact O-N 2.69Å; S936-S938 VanDerWaalsContact O-N 3.11Å | ||
| 937 | N | 25.6 | Very low | 26.6 | Very low | 175 Ų | 175 | 121.5 Ų | 121.5 | 94% | 0.936 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 9.1 | 82 | 149.8 | -63.7 | -10 | 0 | 0 | 0 | 117.6 | ||
| 938 | S | 27.2 | Very low | 26.8 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 51% | 0.51 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -176.3 | 139 | 151.1 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | S936 I940 | S936-S938 PolarHBondContact O-N 2.69Å; S936-S938 VanDerWaalsContact O-N 3.11Å; S938-I940 PolarHBondContact O-N 3.33Å |
| 939 | V | 28.8 | Very low | 26.7 | Very low | 67 Ų | 67 | 122 Ų | 122 | 41% | 0.406 | 67% | 0.669 | S | S | . | * | trans | -71.7 | 101.2 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | S468 F941 | S468-V939 WeakPolarHBondContact CB-O 3.36Å; S468-V939 PolarHBondContact OG-O 3.39Å; V939-F941 HydrophobicContact CB-CE2 4.21Å; V939-F941 HydrophobicContact CG1-CD2 4Å; V939-F941 HydrophobicContact CG1-CE1 4.26Å; V939-F941 HydrophobicContact CG1-CE2 3.45Å; V939-F941 VanDerWaalsContact CG1-CE2 3.45Å; V939-F941 HydrophobicContact CG1-CZ 3.61Å | ||
| 940 | I | 26.5 | Very low | 26.8 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 31% | 0.308 | 66% | 0.663 | S | S | . | * | B | Isolated β-bridge | trans | -85.1 | 111.4 | 178.5 | -57.7 | 176.4 | 0 | 0 | 0 | 108.1 | S938 Y942 | S938-I940 PolarHBondContact O-N 3.33Å; I940-Y942 HydrophobicContact CB-CE2 4.32Å; I940-Y942 HydrophobicContact CG2-CD1 4.38Å; I940-Y942 HydrophobicContact CG2-CD2 4.03Å; I940-Y942 HydrophobicContact CG2-CE1 3.99Å; I940-Y942 HydrophobicContact CG2-CE2 3.61Å; I940-Y942 HydrophobicContact CG2-CG 4.4Å |
| 941 | F | 32.5 | Very low | 26.6 | Very low | 46 Ų | 46 | 117.9 Ų | 117.9 | 20% | 0.202 | 67% | 0.666 | C | S | . | * | trans | -94.8 | 106.7 | 172.4 | -70 | -81 | 0 | 0 | 0 | 108.4 | Q428 C431 L467 V939 S943 | Q428-F941 HydrophobicContact CG-CE1 4.19Å; C431-F941 HydrophobicContact CB-CD1 4.38Å; C431-F941 HydrophobicContact CB-CE1 3.99Å; L467-F941 HydrophobicContact CB-CD2 4.2Å; L467-F941 HydrophobicContact CD2-CD2 3.58Å; L467-F941 HydrophobicContact CD2-CE2 3.42Å; L467-F941 VanDerWaalsContact CD2-CE2 3.42Å; L467-F941 HydrophobicContact CD2-CG 4.29Å; L467-F941 HydrophobicContact CD2-CZ 4.03Å; V939-F941 HydrophobicContact CB-CE2 4.21Å; V939-F941 HydrophobicContact CG1-CD2 4Å; V939-F941 HydrophobicContact CG1-CE1 4.26Å; V939-F941 HydrophobicContact CG1-CE2 3.45Å; V939-F941 VanDerWaalsContact CG1-CE2 3.45Å; V939-F941 HydrophobicContact CG1-CZ 3.61Å; F941-S943 PolarHBondContact O-N 2.9Å | ||
| 942 | Y | 26 | Very low | 26.6 | Very low | 148 Ų | 148 | 117 Ų | 117 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | trans | -78.1 | 102.9 | 175.2 | -70 | -78.6 | 0 | 0 | 0 | 110.4 | I940 | I940-Y942 HydrophobicContact CB-CE2 4.32Å; I940-Y942 HydrophobicContact CG2-CD1 4.38Å; I940-Y942 HydrophobicContact CG2-CD2 4.03Å; I940-Y942 HydrophobicContact CG2-CE1 3.99Å; I940-Y942 HydrophobicContact CG2-CE2 3.61Å; I940-Y942 HydrophobicContact CG2-CG 4.4Å | ||
| 943 | S | 28.7 | Very low | 26.7 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 49% | 0.49 | 66% | 0.663 | S | S | . | * | trans | -90.1 | 114.1 | 157.9 | 167 | 0 | 0 | 0 | 0 | 108.4 | F941 N945 | F941-S943 PolarHBondContact O-N 2.9Å; S943-N945 PolarHBondContact O-N 3.47Å | ||
| 944 | T | 25.3 | Very low | 26.7 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | trans | -90.6 | 90.7 | 169.5 | 40.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 945 | N | 30.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | trans | -161.1 | 106.9 | 153 | -92.7 | -30.3 | 0 | 0 | 0 | 109.8 | S943 | S943-N945 PolarHBondContact O-N 3.47Š| ||
| 946 | N | 25.8 | Very low | 27 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 65% | 0.652 | 66% | 0.657 | S | S | * | * | trans | -94.2 | 121 | 173.8 | -88.9 | -30.8 | 0 | 0 | 0 | 109.3 | K470 | K470-N946 PolarHBondContact NZ-OD1 3.34Š| ||
| 947 | Y | 25.7 | Very low | 27.2 | Very low | 222 Ų | 222 | 120.8 Ų | 120.8 | 87% | 0.871 | 66% | 0.656 | S | S | * | * | trans | -138.6 | 129.4 | 145 | -84.7 | -77.5 | 0 | 0 | 0 | 108.8 | ||||
| 948 | P | 28.7 | Very low | 27.4 | Very low | 108 Ų | 108 | 118 Ų | 118 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -83.6 | 131.1 | 170.9 | 31.9 | -27.4 | 0 | 0 | 0 | 109.8 | I950 | P948-I950 PolarHBondContact O-N 3.46Š| ||
| 949 | I | 25.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -74.1 | 112.1 | 168.7 | -62.4 | 170 | 0 | 0 | 0 | 107.4 | ||||
| 950 | I | 25.3 | Very low | 27.7 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | trans | -101 | 112.8 | 163.7 | -63.5 | 175.7 | 0 | 0 | 0 | 107.3 | P948 | P948-I950 PolarHBondContact O-N 3.46Š| ||
| 951 | S | 23.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -69.4 | 122.6 | 160.9 | 41.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 952 | S | 26.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -147.6 | 109.6 | 159.2 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 953 | N | 25.9 | Very low | 28 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -71.5 | 143.9 | 157.2 | -88.6 | -28.4 | 0 | 0 | 0 | 108.6 | ||||
| 954 | S | 26.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | 96.2 | 130.3 | 150 | 82.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 955 | F | 29.8 | Very low | 28.4 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 90.4 | 98.8 | 155.9 | -68.5 | -76 | 0 | 0 | 0 | 120.6 | ||||
| 956 | N | 27.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | 51.6 | 128.1 | 120.5 | -72.7 | -0.4 | 0 | 0 | 0 | 121.6 | |||||
| 957 | N | 29.3 | Very low | 28.9 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | 88.6 | 117.1 | 134.4 | -82.6 | 35.8 | 0 | 0 | 0 | 120.4 | ||||
| 958 | D | 30.6 | Very low | 29 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | 91.1 | 112.2 | 128.5 | -62.2 | -21.8 | 0 | 0 | 0 | 120 | |||||
| 959 | H | 31.3 | Very low | 28.9 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 64.4 | 111.3 | 136.3 | -69.7 | -60.7 | 0 | 0 | 0 | 119.1 | ||||
| 960 | L | 31.3 | Very low | 29.2 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | 167.2 | 131.4 | 96.6 | -100.8 | 130.8 | 0 | 0 | 0 | 112.8 | |||||
| 961 | N | 27.8 | Very low | 29.4 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -31.3 | 143.6 | 161.4 | -66.1 | -33.1 | 0 | 0 | 0 | 115.9 | ||||
| 962 | S | 32 | Very low | 29.7 | Very low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | 155.7 | 152.2 | 100.9 | 56 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 963 | Y | 31.5 | Very low | 29.8 | Very low | 211 Ų | 211 | 151.4 Ų | 151.4 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 92.1 | 85.5 | 163.4 | -63.4 | -75.5 | 0 | 0 | 0 | 119.5 | ||||
| 964 | T | 30.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | -29 | 133.2 | 132.4 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 965 | N | 31.9 | Very low | 30.3 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -153.1 | 107.3 | 139.6 | -105.4 | -12.7 | 0 | 0 | 0 | 110.6 | ||||
| 966 | T | 29.7 | Very low | 30.3 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -68.1 | 125.1 | 162.5 | -17.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 967 | T | 35.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -138.3 | 114.1 | 159.5 | -7.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 968 | I | 29.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | trans | -79.8 | 155.1 | 170.4 | -59.3 | 171.7 | 0 | 0 | 0 | 107.6 | ||||
| 969 | F | 26.6 | Very low | 30.6 | Very low | 194 Ų | 194 | 159.3 Ų | 159.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | 91.6 | 96.9 | 168.6 | -66.8 | -81.6 | 0 | 0 | 0 | 117.3 | ||||
| 970 | Q | 30.2 | Very low | 30.6 | Very low | 268 Ų | 268 | 158.8 Ų | 158.8 | 100% | 1.252 | 83% | 0.826 | S | S | * | * | -160.6 | 0 | 90.6 | -122.2 | 178.7 | -7.4 | 0 | 0 | 111.1 |
Retrieved 970 of 970 residues in 1331.8 ms
(Link to these results)