| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 42.1 | Very low | 256 Ų | 256 | 135.2 Ų | 135.2 | 100% | 1.261 | 74% | 0.736 | S | S | * | * | 0 | 137.2 | 0 | -77.7 | -158.9 | 162.9 | 0 | 0 | 108.3 | |||||
| 2 | G | 35.5 | Very low | 43.2 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | trans | 96.8 | 86.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | S | 43.1 | Very low | 44.8 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | cis | 47.8 | 85.9 | 43.5 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | E | 35.3 | Very low | 46.6 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 90% | 0.902 | 69% | 0.694 | S | S | * | * | 168.5 | 133.6 | 122.9 | -90.5 | 172.2 | -164.8 | 0 | 0 | 109.6 | |||||
| 5 | G | 35.9 | Very low | 48.6 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | trans | 112.6 | 36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | I7 | G5-I7 PolarHBondContact O-N 3.41Š| ||
| 6 | E | 34.6 | Very low | 50.4 | Low | 186 Ų | 186 | 116.7 Ų | 116.7 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | trans | -59.6 | 89.4 | 150.3 | -95 | 180 | 158.6 | 0 | 0 | 107.1 | I8 | E6-I8 PolarHBondContact O-N 2.69Š| ||
| 7 | I | 41 | Very low | 52 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 64% | 0.641 | 64% | 0.644 | S | S | * | * | trans | -65.1 | 93.9 | 162.8 | -62.2 | 172 | 0 | 0 | 0 | 103.8 | G5 T9 | G5-I7 PolarHBondContact O-N 3.41Å; I7-T9 HydrophobicContact CG2-CG2 4.29Å; I7-T9 PolarHBondContact O-N 3.11Å | ||
| 8 | I | 43.2 | Very low | 53.5 | Low | 123 Ų | 123 | 120 Ų | 120 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | trans | -61.2 | 87.8 | 170.3 | -61 | 170 | 0 | 0 | 0 | 105.8 | E6 R10 | E6-I8 PolarHBondContact O-N 2.69Å; I8-R10 HydrophobicContact CG2-CB 4.4Å; I8-R10 HydrophobicContact CG2-CG 3.87Å; I8-R10 PolarHBondContact O-N 3.45Å | ||
| 9 | T | 46.8 | Very low | 54.7 | Low | 84 Ų | 84 | 118.6 Ų | 118.6 | 52% | 0.515 | 64% | 0.642 | S | S | . | * | trans | -68.5 | 77.9 | 161.4 | 37.9 | 0 | 0 | 0 | 0 | 106.7 | I7 E11 | I7-T9 HydrophobicContact CG2-CG2 4.29Å; I7-T9 PolarHBondContact O-N 3.11Å; T9-E11 PolarHBondContact O-N 3.44Å | ||
| 10 | R | 50.8 | Low | 55.9 | Low | 191 Ų | 191 | 114.9 Ų | 114.9 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | trans | -68.8 | 85.8 | 160.2 | -98.3 | 177.9 | 179.7 | 152.1 | -1.2 | 105.9 | I8 L12 | I8-R10 HydrophobicContact CG2-CB 4.4Å; I8-R10 HydrophobicContact CG2-CG 3.87Å; I8-R10 PolarHBondContact O-N 3.45Å; R10-L12 PolarHBondContact O-N 3.3Å; R10-L12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | E | 57.2 | Low | 56.9 | Low | 85 Ų | 85 | 116.6 Ų | 116.6 | 40% | 0.397 | 63% | 0.63 | S | S | . | * | trans | -48.2 | 126.2 | 168.6 | -66.4 | 178.3 | 140.6 | 0 | 0 | 107.4 | T9 S13 K14 | T9-E11 PolarHBondContact O-N 3.44Å; E11-S13 VanDerWaalsContact CB-OG 3.32Å; E11-S13 WeakPolarHBondContact CB-OG 3.32Å; E11-S13 PolarHBondContact O-N 3.25Å; E11-K14 HydrophobicContact CB-CD 4.31Å; E11-K14 HydrophobicContact CB-CG 4.36Å; E11-K14 WeakPolarHBondContact O-CB 3.12Å; E11-K14 PolarHBondContact O-N 3.17Å; E11-K14 WeakPolarHBondContact OE2-CE 3.46Å; E11-K14 IonicContact OE2-NZ 2.72Å; E11-K14 PolarHBondContact OE2-NZ 3.33Å | ||
| 12 | L | 55.8 | Low | 59 | Low | 52 Ų | 52 | 108.6 Ų | 108.6 | 27% | 0.272 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -51.8 | -23.6 | 177 | -84.4 | 156.8 | 0 | 0 | 0 | 112.5 | R10 K14 V15 L32 E35 | R10-L12 PolarHBondContact O-N 3.3Å; R10-L12 VanDerWaalsContact O-N 3.16Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 3.13Å; L12-L32 HydrophobicContact CD1-CD1 3.99Å; L12-E35 HydrophobicContact CD1-CB 3.61Å; L12-E35 HydrophobicContact CD1-CG 3.84Å; L12-E35 HydrophobicContact CG-CB 4.42Å; L12-E35 HydrophobicContact CG-CG 4.4Å |
| 13 | S | 63.5 | Low | 61.3 | Low | 101 Ų | 101 | 106.2 Ų | 106.2 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -68.4 | -14.9 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | E11 | E11-S13 VanDerWaalsContact CB-OG 3.32Å; E11-S13 WeakPolarHBondContact CB-OG 3.32Å; E11-S13 PolarHBondContact O-N 3.25Å |
| 14 | K | 71.1 | Confident | 63.5 | Low | 148 Ų | 148 | 103.4 Ų | 103.4 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -102.2 | -3.6 | 179.2 | -68.8 | 175.3 | 172.7 | 145.1 | 0 | 113.1 | E11 L12 | E11-K14 HydrophobicContact CB-CD 4.31Å; E11-K14 HydrophobicContact CB-CG 4.36Å; E11-K14 WeakPolarHBondContact O-CB 3.12Å; E11-K14 PolarHBondContact O-N 3.17Å; E11-K14 WeakPolarHBondContact OE2-CE 3.46Å; E11-K14 IonicContact OE2-NZ 2.72Å; E11-K14 PolarHBondContact OE2-NZ 3.33Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 3.16Å |
| 15 | V | 75.8 | Confident | 66 | Low | 29 Ų | 29 | 101.9 Ų | 101.9 | 18% | 0.176 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -81.6 | 130.4 | 174.5 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | L12 D19 L20 | L12-V15 PolarHBondContact O-N 3.13Å; V15-D19 HydrophobicContact CG1-CB 3.89Å; V15-L20 HydrophobicContact CB-CG 4.38Å; V15-L20 HydrophobicContact CG1-CD1 4.5Å; V15-L20 HydrophobicContact CG1-CD2 4.21Å; V15-L20 HydrophobicContact CG1-CG 3.84Å |
| 16 | S | 78.2 | Confident | 68.7 | Low | 50 Ų | 50 | 105.6 Ų | 105.6 | 35% | 0.35 | 55% | 0.547 | S | S | . | . | trans | -69.5 | 152.4 | 179.7 | 79.7 | 0 | 0 | 0 | 0 | 111.3 | E18 D19 L20 | S16-E18 PolarHBondContact O-N 3.45Å; S16-D19 PolarHBondContact O-N 3.31Å; S16-D19 PolarHBondContact OG-N 3.13Å; S16-D19 PolarHBondContact OG-OD2 3.11Å; S16-L20 PolarHBondContact O-N 3.44Å; S16-L20 VanDerWaalsContact O-N 3.11Å | ||
| 17 | D | 77.6 | Confident | 71.2 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 70% | 0.695 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -31.6 | 178.2 | -75.7 | -16.5 | 0 | 0 | 0 | 112.4 | L20 L21 | D17-L20 PolarHBondContact O-N 3.32Å; D17-L21 VanDerWaalsContact O-CG 3.32Å; D17-L21 WeakPolarHBondContact O-CG 3.38Å; D17-L21 PolarHBondContact O-N 3.38Å; D17-L21 VanDerWaalsContact O-N 3.13Å |
| 18 | E | 78 | Confident | 73.4 | Confident | 163 Ų | 163 | 98.2 Ų | 98.2 | 76% | 0.762 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 174.4 | -76.9 | -170.6 | 161.7 | 0 | 0 | 112.1 | S16 L20 L21 A22 | S16-E18 PolarHBondContact O-N 3.45Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.04Å; E18-L21 PolarHBondContact O-N 2.88Å; E18-A22 PolarHBondContact O-N 2.77Å; E18-A22 VanDerWaalsContact O-N 3.16Å |
| 19 | D | 77.5 | Confident | 75.7 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -29.9 | 178.7 | -65.7 | -46.2 | 0 | 0 | 0 | 112.3 | V15 S16 C23 | V15-D19 HydrophobicContact CG1-CB 3.89Å; S16-D19 PolarHBondContact O-N 3.31Å; S16-D19 PolarHBondContact OG-N 3.13Å; S16-D19 PolarHBondContact OG-OD2 3.11Å; D19-C23 PolarHBondContact O-SG 3.29Å |
| 20 | L | 77 | Confident | 77.9 | Confident | 44 Ų | 44 | 94.9 Ų | 94.9 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70 | -40.6 | 175.1 | -77.6 | 163.2 | 0 | 0 | 0 | 111.6 | V15 S16 D17 E18 A22 C23 L28 | V15-L20 HydrophobicContact CB-CG 4.38Å; V15-L20 HydrophobicContact CG1-CD1 4.5Å; V15-L20 HydrophobicContact CG1-CD2 4.21Å; V15-L20 HydrophobicContact CG1-CG 3.84Å; S16-L20 PolarHBondContact O-N 3.44Å; S16-L20 VanDerWaalsContact O-N 3.11Å; D17-L20 PolarHBondContact O-N 3.32Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.04Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-C23 PolarHBondContact O-N 2.9Å; L20-L28 HydrophobicContact CD2-CD2 3.39Å |
| 21 | L | 78.6 | Confident | 79.7 | Confident | 152 Ų | 152 | 90.9 Ų | 90.9 | 80% | 0.796 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.6 | -27.1 | 178.2 | -72.1 | 168.9 | 0 | 0 | 0 | 113.2 | D17 E18 C23 | D17-L21 VanDerWaalsContact O-CG 3.32Å; D17-L21 WeakPolarHBondContact O-CG 3.38Å; D17-L21 PolarHBondContact O-N 3.38Å; D17-L21 VanDerWaalsContact O-N 3.13Å; E18-L21 PolarHBondContact O-N 2.88Å; L21-C23 VanDerWaalsContact C-N 3.32Å |
| 22 | A | 83.3 | Confident | 81.2 | Confident | 88 Ų | 88 | 91.8 Ų | 91.8 | 73% | 0.727 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | E18 L20 | E18-A22 PolarHBondContact O-N 2.77Å; E18-A22 VanDerWaalsContact O-N 3.16Å; L20-A22 VanDerWaalsContact C-N 3.33Å |
| 23 | C | 82.3 | Confident | 83 | Confident | 23 Ų | 23 | 97.7 Ų | 97.7 | 16% | 0.155 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -85 | 150.7 | -178.4 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | D19 L20 L21 E27 L28 R31 | D19-C23 PolarHBondContact O-SG 3.29Å; L20-C23 PolarHBondContact O-N 2.9Å; L21-C23 VanDerWaalsContact C-N 3.32Å; C23-E27 HydrophobicContact CB-CB 4.31Å; C23-L28 HydrophobicContact CB-CD1 4.49Å; C23-L28 HydrophobicContact CB-CD2 4.3Å; C23-L28 HydrophobicContact CB-CG 3.99Å; C23-R31 VanDerWaalsContact SG-CZ 3.57Å; C23-R31 PolarHBondContact SG-NH1 3.43Å; C23-R31 PolarHBondContact SG-NH2 3.42Å; C23-R31 VanDerWaalsContact SG-NH2 3.45Å |
| 24 | S | 89.3 | Confident | 84.3 | Confident | 48 Ų | 48 | 98.9 Ų | 98.9 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | trans | -71.3 | 159.6 | 172 | 82.9 | 0 | 0 | 0 | 0 | 111.7 | E26 E27 L28 | S24-E26 PolarHBondContact O-N 3.16Å; S24-E26 PolarHBondContact OG-N 2.94Å; S24-E27 PolarHBondContact N-OE2 2.81Å; S24-E27 VanDerWaalsContact N-OE2 3.13Å; S24-E27 PolarHBondContact O-N 2.72Å; S24-E27 VanDerWaalsContact O-N 3.15Å; S24-E27 WeakPolarHBondContact OG-CG 3.4Å; S24-E27 PolarHBondContact OG-N 2.91Å; S24-E27 VanDerWaalsContact OG-N 3.16Å; S24-L28 PolarHBondContact O-N 3.15Å | ||
| 25 | K | 88.4 | Confident | 85.2 | Confident | 162 Ų | 162 | 94 Ų | 94 | 70% | 0.704 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58 | -39.7 | 175.5 | -174.3 | -177.9 | 175.2 | -175.5 | 0 | 111.2 | V29 | K25-V29 VanDerWaalsContact O-CG2 3.28Å; K25-V29 WeakPolarHBondContact O-CG2 3.35Å; K25-V29 PolarHBondContact O-N 2.93Å; K25-V29 VanDerWaalsContact O-N 3.12Å |
| 26 | E | 91.8 | Very high | 86 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 177.2 | -67.4 | 73.6 | -153.9 | 0 | 0 | 112.2 | S24 V29 S30 | S24-E26 PolarHBondContact O-N 3.16Å; S24-E26 PolarHBondContact OG-N 2.94Å; E26-V29 PolarHBondContact O-N 3.43Å; E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 3.47Å |
| 27 | E | 88 | Confident | 86.8 | Confident | 98 Ų | 98 | 99 Ų | 99 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.4 | -73.6 | 172.2 | 172.8 | 0 | 0 | 112.2 | C23 S24 S30 R31 | C23-E27 HydrophobicContact CB-CB 4.31Å; S24-E27 PolarHBondContact N-OE2 2.81Å; S24-E27 VanDerWaalsContact N-OE2 3.13Å; S24-E27 PolarHBondContact O-N 2.72Å; S24-E27 VanDerWaalsContact O-N 3.15Å; S24-E27 WeakPolarHBondContact OG-CG 3.4Å; S24-E27 PolarHBondContact OG-N 2.91Å; S24-E27 VanDerWaalsContact OG-N 3.16Å; E27-S30 PolarHBondContact O-N 3.16Å; E27-R31 WeakPolarHBondContact O-CG 2.86Å; E27-R31 PolarHBondContact O-N 2.94Å |
| 28 | L | 88 | Confident | 87.6 | Confident | 57 Ų | 57 | 94.9 Ų | 94.9 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.1 | -73.8 | 163.5 | 0 | 0 | 0 | 111.5 | L20 C23 S24 S30 R31 L32 | L20-L28 HydrophobicContact CD2-CD2 3.39Å; C23-L28 HydrophobicContact CB-CD1 4.49Å; C23-L28 HydrophobicContact CB-CD2 4.3Å; C23-L28 HydrophobicContact CB-CG 3.99Å; S24-L28 PolarHBondContact O-N 3.15Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-S30 PolarHBondContact O-N 3.12Å; L28-R31 PolarHBondContact O-N 3.02Å; L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 PolarHBondContact O-N 3.49Å |
| 29 | V | 91.1 | Very high | 88.4 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 35% | 0.352 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | K25 E26 L32 R33 | K25-V29 VanDerWaalsContact O-CG2 3.28Å; K25-V29 WeakPolarHBondContact O-CG2 3.35Å; K25-V29 PolarHBondContact O-N 2.93Å; K25-V29 VanDerWaalsContact O-N 3.12Å; E26-V29 PolarHBondContact O-N 3.43Å; V29-L32 PolarHBondContact O-N 3.34Å; V29-R33 WeakPolarHBondContact O-CG 3.32Å; V29-R33 PolarHBondContact O-N 3.41Å |
| 30 | S | 91.6 | Very high | 89.2 | Confident | 79 Ų | 79 | 93.6 Ų | 93.6 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 177.5 | -169 | 0 | 0 | 0 | 0 | 111.9 | E26 E27 L28 R33 K34 | E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 3.47Å; E27-S30 PolarHBondContact O-N 3.16Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-S30 PolarHBondContact O-N 3.12Å; S30-R33 PolarHBondContact O-N 2.8Å; S30-K34 WeakPolarHBondContact O-CB 3.37Å; S30-K34 PolarHBondContact O-N 2.87Å |
| 31 | R | 88.6 | Confident | 90.2 | Very high | 108 Ų | 108 | 94.6 Ų | 94.6 | 41% | 0.408 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 175.7 | -72.3 | -179.9 | -171.8 | 177.9 | 8.6 | 112.1 | C23 E27 L28 K34 E35 | C23-R31 VanDerWaalsContact SG-CZ 3.57Å; C23-R31 PolarHBondContact SG-NH1 3.43Å; C23-R31 PolarHBondContact SG-NH2 3.42Å; C23-R31 VanDerWaalsContact SG-NH2 3.45Å; E27-R31 WeakPolarHBondContact O-CG 2.86Å; E27-R31 PolarHBondContact O-N 2.94Å; L28-R31 PolarHBondContact O-N 3.02Å; R31-K34 PolarHBondContact O-N 3.29Å; R31-E35 PolarHBondContact O-N 3.21Å |
| 32 | L | 89.4 | Confident | 91 | Very high | 103 Ų | 103 | 90 Ų | 90 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 177 | -177.2 | 68.4 | 0 | 0 | 0 | 111.9 | L12 L28 V29 K34 E35 E36 | L12-L32 HydrophobicContact CD1-CD1 3.99Å; L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 PolarHBondContact O-N 3.49Å; V29-L32 PolarHBondContact O-N 3.34Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.04Å; L32-E35 PolarHBondContact O-N 3.47Å; L32-E36 WeakPolarHBondContact O-CB 3.49Å; L32-E36 PolarHBondContact O-N 2.97Å |
| 33 | R | 93.9 | Very high | 91.6 | Very high | 176 Ų | 176 | 90.6 Ų | 90.6 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 178.1 | -74.3 | 178 | 179.4 | 173.3 | 1.4 | 112.1 | V29 S30 S37 | V29-R33 WeakPolarHBondContact O-CG 3.32Å; V29-R33 PolarHBondContact O-N 3.41Å; S30-R33 PolarHBondContact O-N 2.8Å; R33-S37 WeakPolarHBondContact O-CB 3.44Å; R33-S37 PolarHBondContact O-N 3.43Å; R33-S37 PolarHBondContact O-OG 2.94Å |
| 34 | K | 91.3 | Very high | 92.4 | Very high | 126 Ų | 126 | 93.7 Ų | 93.7 | 55% | 0.548 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -51.3 | 176.1 | -177.8 | 179.1 | 169.8 | -177.9 | 0 | 110.8 | S30 R31 L32 E36 S37 E38 | S30-K34 WeakPolarHBondContact O-CB 3.37Å; S30-K34 PolarHBondContact O-N 2.87Å; R31-K34 PolarHBondContact O-N 3.29Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.04Å; K34-E36 VanDerWaalsContact C-N 3.31Å; K34-E36 PolarHBondContact O-N 2.9Å; K34-S37 WeakPolarHBondContact O-CB 3.35Å; K34-S37 PolarHBondContact O-N 3.49Å; K34-S37 VanDerWaalsContact O-N 3.11Å; K34-S37 PolarHBondContact O-OG 2.86Å; K34-E38 WeakPolarHBondContact CE-OE1 3.31Å; K34-E38 IonicContact NZ-OE1 3.83Å; K34-E38 WeakPolarHBondContact O-CG 3.38Å; K34-E38 PolarHBondContact O-N 3.45Å |
| 35 | E | 89.3 | Confident | 92.8 | Very high | 47 Ų | 47 | 96.4 Ų | 96.4 | 22% | 0.22 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 178.5 | -166.9 | 69.5 | -159.1 | 0 | 0 | 111.9 | L12 R31 L32 S37 E38 K39 | L12-E35 HydrophobicContact CD1-CB 3.61Å; L12-E35 HydrophobicContact CD1-CG 3.84Å; L12-E35 HydrophobicContact CG-CB 4.42Å; L12-E35 HydrophobicContact CG-CG 4.4Å; R31-E35 PolarHBondContact O-N 3.21Å; L32-E35 PolarHBondContact O-N 3.47Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 2.88Å; E35-E38 PolarHBondContact O-N 3.47Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 PolarHBondContact O-N 3.5Å |
| 36 | E | 93 | Very high | 93.2 | Very high | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.1 | -172.2 | 177.3 | -167.3 | 0 | 0 | 111.3 | L32 K34 K39 I40 | L32-E36 WeakPolarHBondContact O-CB 3.49Å; L32-E36 PolarHBondContact O-N 2.97Å; K34-E36 VanDerWaalsContact C-N 3.31Å; K34-E36 PolarHBondContact O-N 2.9Å; E36-K39 PolarHBondContact O-N 2.96Å; E36-I40 HydrophobicContact CG-CD1 4.03Å; E36-I40 WeakPolarHBondContact O-CB 3.44Å; E36-I40 VanDerWaalsContact O-CG1 3.23Å; E36-I40 WeakPolarHBondContact O-CG1 3.46Å; E36-I40 PolarHBondContact O-N 2.93Å |
| 37 | S | 94.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 91.4 Ų | 91.4 | 46% | 0.462 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 112.9 | R33 K34 E35 I40 S41 | R33-S37 WeakPolarHBondContact O-CB 3.44Å; R33-S37 PolarHBondContact O-N 3.43Å; R33-S37 PolarHBondContact O-OG 2.94Å; K34-S37 WeakPolarHBondContact O-CB 3.35Å; K34-S37 PolarHBondContact O-N 3.49Å; K34-S37 VanDerWaalsContact O-N 3.11Å; K34-S37 PolarHBondContact O-OG 2.86Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 2.88Å; S37-I40 PolarHBondContact O-N 3.33Å; S37-S41 WeakPolarHBondContact O-CB 3.34Å; S37-S41 PolarHBondContact O-N 2.93Å |
| 38 | E | 93.3 | Very high | 94 | Very high | 45 Ų | 45 | 93.5 Ų | 93.5 | 21% | 0.21 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 177.1 | -72.3 | 179 | -170.8 | 0 | 0 | 111 | K34 E35 I40 S41 A42 | K34-E38 WeakPolarHBondContact CE-OE1 3.31Å; K34-E38 IonicContact NZ-OE1 3.83Å; K34-E38 WeakPolarHBondContact O-CG 3.38Å; K34-E38 PolarHBondContact O-N 3.45Å; E35-E38 PolarHBondContact O-N 3.47Å; E38-I40 PolarHBondContact O-N 2.65Å; E38-S41 WeakPolarHBondContact O-CB 3.5Å; E38-S41 PolarHBondContact O-N 3.11Å; E38-A42 WeakPolarHBondContact O-CB 3.5Å; E38-A42 PolarHBondContact O-N 3.38Å |
| 39 | K | 94.9 | Very high | 94.4 | Very high | 142 Ų | 142 | 95.9 Ų | 95.9 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 174 | -176.8 | 177.9 | 177.8 | 177.8 | 0 | 111.8 | E35 E36 A42 L43 | E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 PolarHBondContact O-N 3.5Å; E36-K39 PolarHBondContact O-N 2.96Å; K39-A42 PolarHBondContact O-N 3.47Å; K39-L43 HydrophobicContact CG-CD1 4.36Å; K39-L43 VanDerWaalsContact O-CG 3.31Å; K39-L43 WeakPolarHBondContact O-CG 3.23Å; K39-L43 PolarHBondContact O-N 2.98Å |
| 40 | I | 96 | Very high | 94.8 | Very high | 86 Ų | 86 | 96.9 Ų | 96.9 | 44% | 0.441 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.3 | -70.4 | 165.8 | 0 | 0 | 0 | 110.2 | E36 S37 E38 A42 L43 I44 | E36-I40 HydrophobicContact CG-CD1 4.03Å; E36-I40 WeakPolarHBondContact O-CB 3.44Å; E36-I40 VanDerWaalsContact O-CG1 3.23Å; E36-I40 WeakPolarHBondContact O-CG1 3.46Å; E36-I40 PolarHBondContact O-N 2.93Å; S37-I40 PolarHBondContact O-N 3.33Å; E38-I40 PolarHBondContact O-N 2.65Å; I40-A42 PolarHBondContact O-N 3.41Å; I40-L43 PolarHBondContact O-N 3.25Å; I40-I44 HydrophobicContact CG2-CD1 3.88Å; I40-I44 VanDerWaalsContact O-CG1 3.29Å; I40-I44 WeakPolarHBondContact O-CG1 3.47Å; I40-I44 PolarHBondContact O-N 3.44Å |
| 41 | S | 96.3 | Very high | 95.1 | Very high | 65 Ų | 65 | 100.8 Ų | 100.8 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.5 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | S37 E38 L43 I44 Q45 | S37-S41 WeakPolarHBondContact O-CB 3.34Å; S37-S41 PolarHBondContact O-N 2.93Å; E38-S41 WeakPolarHBondContact O-CB 3.5Å; E38-S41 PolarHBondContact O-N 3.11Å; S41-L43 PolarHBondContact O-N 2.91Å; S41-I44 PolarHBondContact O-N 3.33Å; S41-Q45 PolarHBondContact O-N 2.87Å |
| 42 | A | 96.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 99.7 Ų | 99.7 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E38 K39 I40 Q45 R46 | E38-A42 WeakPolarHBondContact O-CB 3.5Å; E38-A42 PolarHBondContact O-N 3.38Å; K39-A42 PolarHBondContact O-N 3.47Å; I40-A42 PolarHBondContact O-N 3.41Å; A42-Q45 PolarHBondContact O-N 2.99Å; A42-R46 WeakPolarHBondContact O-CB 3.41Å; A42-R46 PolarHBondContact O-N 3.43Å |
| 43 | L | 96.9 | Very high | 96 | Very high | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175 | -73.5 | 172.6 | 0 | 0 | 0 | 111.9 | K39 I40 S41 R46 G47 | K39-L43 HydrophobicContact CG-CD1 4.36Å; K39-L43 VanDerWaalsContact O-CG 3.31Å; K39-L43 WeakPolarHBondContact O-CG 3.23Å; K39-L43 PolarHBondContact O-N 2.98Å; I40-L43 PolarHBondContact O-N 3.25Å; S41-L43 PolarHBondContact O-N 2.91Å; L43-R46 PolarHBondContact O-N 2.97Å; L43-G47 PolarHBondContact O-N 3.48Å |
| 44 | I | 97.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 94.5 Ų | 94.5 | 46% | 0.456 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 175.5 | -65 | 166.5 | 0 | 0 | 0 | 110.3 | I40 S41 G47 R48 | I40-I44 HydrophobicContact CG2-CD1 3.88Å; I40-I44 VanDerWaalsContact O-CG1 3.29Å; I40-I44 WeakPolarHBondContact O-CG1 3.47Å; I40-I44 PolarHBondContact O-N 3.44Å; S41-I44 PolarHBondContact O-N 3.33Å; I44-G47 PolarHBondContact O-N 2.94Å; I44-R48 VanDerWaalsContact CG2-NH1 3.31Å; I44-R48 WeakPolarHBondContact O-CG 3.39Å; I44-R48 PolarHBondContact O-N 3.43Å |
| 45 | Q | 97.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.6 | -177.4 | 175.5 | -17.7 | 0 | 0 | 112 | S41 A42 G47 R48 L49 | S41-Q45 PolarHBondContact O-N 2.87Å; A42-Q45 PolarHBondContact O-N 2.99Å; Q45-G47 VanDerWaalsContact C-N 3.3Å; Q45-G47 PolarHBondContact O-N 2.91Å; Q45-R48 WeakPolarHBondContact O-CB 3.47Å; Q45-R48 PolarHBondContact O-N 3.29Å; Q45-R48 VanDerWaalsContact O-N 3.16Å; Q45-L49 HydrophobicContact CG-CD1 4.47Å; Q45-L49 WeakPolarHBondContact O-CG 3.36Å; Q45-L49 PolarHBondContact O-N 3.16Å |
| 46 | R | 97.6 | Very high | 97 | Very high | 168 Ų | 168 | 97.8 Ų | 97.8 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.3 | -44 | 173.6 | -177.9 | -179.7 | 174.4 | -170.7 | -1.1 | 111.2 | A42 L43 R48 L49 I50 | A42-R46 WeakPolarHBondContact O-CB 3.41Å; A42-R46 PolarHBondContact O-N 3.43Å; L43-R46 PolarHBondContact O-N 2.97Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.23Å; R46-L49 PolarHBondContact O-N 3.46Å; R46-I50 HydrophobicContact CG-CD1 3.91Å; R46-I50 VanDerWaalsContact O-CG1 3.31Å; R46-I50 WeakPolarHBondContact O-CG1 3.29Å; R46-I50 PolarHBondContact O-N 2.97Å |
| 47 | G | 97.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 96.9 Ų | 96.9 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L43 I44 Q45 K51 | L43-G47 PolarHBondContact O-N 3.48Å; I44-G47 PolarHBondContact O-N 2.94Å; Q45-G47 VanDerWaalsContact C-N 3.3Å; Q45-G47 PolarHBondContact O-N 2.91Å; G47-K51 WeakPolarHBondContact O-CG 3.49Å; G47-K51 PolarHBondContact O-N 3Å; G47-K51 VanDerWaalsContact O-N 3.12Å |
| 48 | R | 98.1 | Very high | 97.5 | Very high | 142 Ų | 142 | 100 Ų | 100 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 173.8 | -71.4 | -172 | -67 | -110.9 | -1.1 | 112.1 | I44 Q45 R46 I50 K51 E52 | I44-R48 VanDerWaalsContact CG2-NH1 3.31Å; I44-R48 WeakPolarHBondContact O-CG 3.39Å; I44-R48 PolarHBondContact O-N 3.43Å; Q45-R48 WeakPolarHBondContact O-CB 3.47Å; Q45-R48 PolarHBondContact O-N 3.29Å; Q45-R48 VanDerWaalsContact O-N 3.16Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.23Å; R48-I50 PolarHBondContact O-N 3.47Å; R48-K51 PolarHBondContact O-N 3.42Å; R48-E52 PolarHBondContact O-N 3.12Å |
| 49 | L | 98.3 | Very high | 97.7 | Very high | 106 Ų | 106 | 99.6 Ų | 99.6 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 178.6 | -71.4 | 171.7 | 0 | 0 | 0 | 111.9 | Q45 R46 K51 E52 V53 | Q45-L49 HydrophobicContact CG-CD1 4.47Å; Q45-L49 WeakPolarHBondContact O-CG 3.36Å; Q45-L49 PolarHBondContact O-N 3.16Å; R46-L49 PolarHBondContact O-N 3.46Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-E52 PolarHBondContact O-N 3.34Å; L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 3.22Å |
| 50 | I | 98.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 97.8 Ų | 97.8 | 41% | 0.41 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.7 | -68.9 | 167 | 0 | 0 | 0 | 110.8 | R46 R48 E52 N54 | R46-I50 HydrophobicContact CG-CD1 3.91Å; R46-I50 VanDerWaalsContact O-CG1 3.31Å; R46-I50 WeakPolarHBondContact O-CG1 3.29Å; R46-I50 PolarHBondContact O-N 2.97Å; R48-I50 PolarHBondContact O-N 3.47Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-E52 PolarHBondContact O-N 2.96Å; I50-N54 WeakPolarHBondContact O-CB 3.33Å; I50-N54 PolarHBondContact O-N 3.22Å; I50-N54 PolarHBondContact O-ND2 3.27Å |
| 51 | K | 98.5 | Very high | 98 | Very high | 160 Ų | 160 | 97.4 Ų | 97.4 | 70% | 0.696 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177 | -75.1 | 177.2 | -179.1 | -175.2 | 0 | 112 | G47 R48 L49 N54 K55 | G47-K51 WeakPolarHBondContact O-CG 3.49Å; G47-K51 PolarHBondContact O-N 3Å; G47-K51 VanDerWaalsContact O-N 3.12Å; R48-K51 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 2.93Å; K51-N54 PolarHBondContact O-N 3.15Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.1Å |
| 52 | E | 98.4 | Very high | 98.1 | Very high | 85 Ų | 85 | 98.8 Ų | 98.8 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | -179.8 | -172.4 | 55.1 | -146.4 | 0 | 0 | 112 | R48 L49 I50 N54 K55 Q56 | R48-E52 PolarHBondContact O-N 3.12Å; L49-E52 PolarHBondContact O-N 3.34Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-E52 PolarHBondContact O-N 2.96Å; E52-N54 VanDerWaalsContact C-N 3.3Å; E52-N54 PolarHBondContact O-N 3.16Å; E52-K55 WeakPolarHBondContact O-CB 3.49Å; E52-K55 PolarHBondContact O-N 3.39Å; E52-K55 VanDerWaalsContact O-N 3.16Å; E52-Q56 WeakPolarHBondContact O-CG 3.32Å; E52-Q56 PolarHBondContact O-N 3.35Å; E52-Q56 PolarHBondContact OE1-NE2 3.38Å; E52-Q56 VanDerWaalsContact OE1-NE2 3.15Å |
| 53 | V | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L49 K55 Q56 L57 | L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 3.22Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-K55 PolarHBondContact O-N 2.89Å; V53-Q56 PolarHBondContact O-N 2.95Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 PolarHBondContact O-N 3.46Å |
| 54 | N | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 100.4 Ų | 100.4 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.4 | -74.4 | -18.1 | 0 | 0 | 0 | 112.2 | I50 K51 E52 L57 Q58 | I50-N54 WeakPolarHBondContact O-CB 3.33Å; I50-N54 PolarHBondContact O-N 3.22Å; I50-N54 PolarHBondContact O-ND2 3.27Å; K51-N54 PolarHBondContact O-N 3.15Å; E52-N54 VanDerWaalsContact C-N 3.3Å; E52-N54 PolarHBondContact O-N 3.16Å; N54-L57 PolarHBondContact O-N 2.96Å; N54-Q58 WeakPolarHBondContact O-CB 3.45Å; N54-Q58 WeakPolarHBondContact O-CG 3.43Å; N54-Q58 PolarHBondContact O-N 2.97Å |
| 55 | K | 98.6 | Very high | 98.4 | Very high | 139 Ų | 139 | 103.8 Ų | 103.8 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -45.8 | 176.2 | -177.3 | -173.4 | 174 | -167.8 | 0 | 111.2 | K51 E52 V53 Q58 G59 | K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.1Å; E52-K55 WeakPolarHBondContact O-CB 3.49Å; E52-K55 PolarHBondContact O-N 3.39Å; E52-K55 VanDerWaalsContact O-N 3.16Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-K55 PolarHBondContact O-N 2.89Å; K55-Q58 PolarHBondContact O-N 3.47Å; K55-G59 PolarHBondContact O-N 3.39Å |
| 56 | Q | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 105 Ų | 105 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 177.1 | -69.5 | 178.7 | 11.6 | 0 | 0 | 111.6 | E52 V53 Q58 G59 H60 | E52-Q56 WeakPolarHBondContact O-CG 3.32Å; E52-Q56 PolarHBondContact O-N 3.35Å; E52-Q56 PolarHBondContact OE1-NE2 3.38Å; E52-Q56 VanDerWaalsContact OE1-NE2 3.15Å; V53-Q56 PolarHBondContact O-N 2.95Å; Q56-Q58 VanDerWaalsContact C-N 3.32Å; Q56-Q58 PolarHBondContact O-N 3.46Å; Q56-G59 WeakPolarHBondContact O-CA 3.43Å; Q56-G59 PolarHBondContact O-N 3.16Å; Q56-G59 VanDerWaalsContact O-N 3.1Å; Q56-H60 PolarHBondContact O-CD2 2.92Å; Q56-H60 PolarHBondContact O-N 2.97Å |
| 57 | L | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 176.3 | -179.3 | 63.1 | 0 | 0 | 0 | 111.8 | V53 N54 G59 H60 L61 | V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 PolarHBondContact O-N 3.46Å; N54-L57 PolarHBondContact O-N 2.96Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 3.11Å; L57-H60 PolarHBondContact O-N 3.05Å; L57-L61 HydrophobicContact CG-CD1 4.32Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.35Å; L57-L61 PolarHBondContact O-N 2.96Å |
| 58 | Q | 98.6 | Very high | 98.6 | Very high | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 175.2 | -76.6 | -179 | -6 | 0 | 0 | 112.2 | N54 K55 Q56 L61 L62 | N54-Q58 WeakPolarHBondContact O-CB 3.45Å; N54-Q58 WeakPolarHBondContact O-CG 3.43Å; N54-Q58 PolarHBondContact O-N 2.97Å; K55-Q58 PolarHBondContact O-N 3.47Å; Q56-Q58 VanDerWaalsContact C-N 3.32Å; Q56-Q58 PolarHBondContact O-N 3.46Å; Q58-L61 PolarHBondContact O-N 3.36Å; Q58-L62 WeakPolarHBondContact O-CG 3.49Å; Q58-L62 PolarHBondContact O-N 3.41Å; Q58-L62 VanDerWaalsContact O-N 3.09Å |
| 59 | G | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 105.3 Ų | 105.3 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -52.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K55 Q56 L57 L61 L62 E63 | K55-G59 PolarHBondContact O-N 3.39Å; Q56-G59 WeakPolarHBondContact O-CA 3.43Å; Q56-G59 PolarHBondContact O-N 3.16Å; Q56-G59 VanDerWaalsContact O-N 3.1Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 3.11Å; G59-L61 VanDerWaalsContact C-N 3.29Å; G59-L61 PolarHBondContact O-N 3.33Å; G59-L62 WeakPolarHBondContact O-CB 3.5Å; G59-L62 PolarHBondContact O-N 3.02Å; G59-L62 VanDerWaalsContact O-N 3.11Å; G59-E63 PolarHBondContact O-N 3.48Å |
| 60 | H | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 104.9 Ų | 104.9 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 177.6 | -69.6 | -59.6 | 0 | 0 | 0 | 112.8 | Q56 L57 L62 E63 I64 | Q56-H60 PolarHBondContact O-CD2 2.92Å; Q56-H60 PolarHBondContact O-N 2.97Å; L57-H60 PolarHBondContact O-N 3.05Å; H60-L62 VanDerWaalsContact C-N 3.32Å; H60-L62 PolarHBondContact O-N 3.36Å; H60-E63 IonicContact ND1-OE2 3.86Å; H60-E63 PolarHBondContact O-N 3.1Å; H60-I64 WeakPolarHBondContact O-CB 3.44Å; H60-I64 WeakPolarHBondContact O-CD1 3.35Å; H60-I64 WeakPolarHBondContact O-CG1 3.27Å; H60-I64 PolarHBondContact O-N 3.47Å |
| 61 | L | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 105.1 Ų | 105.1 | 41% | 0.408 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 175.9 | -75.6 | 173.4 | 0 | 0 | 0 | 112.7 | L57 Q58 G59 R65 | L57-L61 HydrophobicContact CG-CD1 4.32Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.35Å; L57-L61 PolarHBondContact O-N 2.96Å; Q58-L61 PolarHBondContact O-N 3.36Å; G59-L61 VanDerWaalsContact C-N 3.29Å; G59-L61 PolarHBondContact O-N 3.33Å; L61-R65 VanDerWaalsContact O-CG 3.26Å; L61-R65 WeakPolarHBondContact O-CG 3.48Å; L61-R65 PolarHBondContact O-N 3.25Å |
| 62 | L | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 102 Ų | 102 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -47.1 | 174.6 | -70.6 | 172.7 | 0 | 0 | 0 | 110.8 | Q58 G59 H60 I64 R65 E66 | Q58-L62 WeakPolarHBondContact O-CG 3.49Å; Q58-L62 PolarHBondContact O-N 3.41Å; Q58-L62 VanDerWaalsContact O-N 3.09Å; G59-L62 WeakPolarHBondContact O-CB 3.5Å; G59-L62 PolarHBondContact O-N 3.02Å; G59-L62 VanDerWaalsContact O-N 3.11Å; H60-L62 VanDerWaalsContact C-N 3.32Å; H60-L62 PolarHBondContact O-N 3.36Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 3.09Å; L62-R65 WeakPolarHBondContact O-CA 3.27Å; L62-R65 WeakPolarHBondContact O-CB 3.2Å; L62-R65 PolarHBondContact O-N 3.47Å; L62-E66 PolarHBondContact O-N 2.87Å |
| 63 | E | 98.6 | Very high | 98.7 | Very high | 102 Ų | 102 | 105.5 Ų | 105.5 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.6 | -174 | 177.3 | -166.5 | 0 | 0 | 111.9 | G59 H60 R65 E66 L67 | G59-E63 PolarHBondContact O-N 3.48Å; H60-E63 IonicContact ND1-OE2 3.86Å; H60-E63 PolarHBondContact O-N 3.1Å; E63-R65 VanDerWaalsContact C-N 3.26Å; E63-R65 PolarHBondContact O-N 3.42Å; E63-E66 PolarHBondContact O-N 3.32Å; E63-L67 HydrophobicContact CG-CD1 4.07Å; E63-L67 HydrophobicContact CG-CG 4.43Å; E63-L67 WeakPolarHBondContact O-CB 3.39Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 2.86Å |
| 64 | I | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 105.9 Ų | 105.9 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 174.9 | -71.2 | 164.3 | 0 | 0 | 0 | 111.4 | H60 L62 K68 | H60-I64 WeakPolarHBondContact O-CB 3.44Å; H60-I64 WeakPolarHBondContact O-CD1 3.35Å; H60-I64 WeakPolarHBondContact O-CG1 3.27Å; H60-I64 PolarHBondContact O-N 3.47Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 3.09Å; I64-K68 HydrophobicContact CG2-CD 4.44Å; I64-K68 WeakPolarHBondContact O-CB 3.26Å; I64-K68 VanDerWaalsContact O-CG 3.27Å; I64-K68 WeakPolarHBondContact O-CG 3.43Å; I64-K68 PolarHBondContact O-N 3.35Å; I64-K68 VanDerWaalsContact O-N 3.1Å |
| 65 | R | 98.8 | Very high | 98.7 | Very high | 161 Ų | 161 | 106.8 Ų | 106.8 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.5 | -43.5 | 177.8 | -70.6 | 168.3 | -172.3 | -173 | 2.1 | 111.2 | L61 L62 E63 K68 V69 | L61-R65 VanDerWaalsContact O-CG 3.26Å; L61-R65 WeakPolarHBondContact O-CG 3.48Å; L61-R65 PolarHBondContact O-N 3.25Å; L62-R65 WeakPolarHBondContact O-CA 3.27Å; L62-R65 WeakPolarHBondContact O-CB 3.2Å; L62-R65 PolarHBondContact O-N 3.47Å; E63-R65 VanDerWaalsContact C-N 3.26Å; E63-R65 PolarHBondContact O-N 3.42Å; R65-K68 WeakPolarHBondContact O-CB 3.48Å; R65-K68 PolarHBondContact O-N 3.08Å; R65-V69 PolarHBondContact O-N 2.95Å |
| 66 | E | 98.7 | Very high | 98.7 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -46.4 | 177.8 | -70.2 | 175.4 | -177.5 | 0 | 0 | 111.5 | L62 E63 K68 V69 I70 | L62-E66 PolarHBondContact O-N 2.87Å; E63-E66 PolarHBondContact O-N 3.32Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.23Å; E66-V69 PolarHBondContact O-N 3.3Å; E66-V69 VanDerWaalsContact O-N 3.08Å; E66-I70 PolarHBondContact O-N 3.44Å |
| 67 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 103.1 Ų | 103.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 175.8 | -73.4 | 173.9 | 0 | 0 | 0 | 112.2 | E63 I70 N71 | E63-L67 HydrophobicContact CG-CD1 4.07Å; E63-L67 HydrophobicContact CG-CG 4.43Å; E63-L67 WeakPolarHBondContact O-CB 3.39Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 2.86Å; L67-I70 PolarHBondContact O-N 3.02Å; L67-N71 VanDerWaalsContact O-CB 3.27Å; L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 2.86Å |
| 68 | K | 98.8 | Very high | 98.7 | Very high | 144 Ų | 144 | 102.2 Ų | 102.2 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 173.8 | -81.5 | 177 | 177.7 | -172.3 | 0 | 112.4 | I64 R65 E66 N71 Q72 | I64-K68 HydrophobicContact CG2-CD 4.44Å; I64-K68 WeakPolarHBondContact O-CB 3.26Å; I64-K68 VanDerWaalsContact O-CG 3.27Å; I64-K68 WeakPolarHBondContact O-CG 3.43Å; I64-K68 PolarHBondContact O-N 3.35Å; I64-K68 VanDerWaalsContact O-N 3.1Å; R65-K68 WeakPolarHBondContact O-CB 3.48Å; R65-K68 PolarHBondContact O-N 3.08Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.23Å; K68-N71 PolarHBondContact O-N 3.36Å; K68-Q72 WeakPolarHBondContact O-CB 3.34Å; K68-Q72 PolarHBondContact O-N 2.93Å |
| 69 | V | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 99 Ų | 99 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | R65 E66 N71 Q72 R73 | R65-V69 PolarHBondContact O-N 2.95Å; E66-V69 PolarHBondContact O-N 3.3Å; E66-V69 VanDerWaalsContact O-N 3.08Å; V69-N71 VanDerWaalsContact C-N 3.33Å; V69-N71 PolarHBondContact O-N 2.62Å; V69-Q72 PolarHBondContact O-N 3.5Å; V69-R73 PolarHBondContact O-N 2.89Å |
| 70 | I | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 103.3 Ų | 103.3 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 177 | -64.6 | 169 | 0 | 0 | 0 | 110.5 | E66 L67 Q72 R73 L74 | E66-I70 PolarHBondContact O-N 3.44Å; L67-I70 PolarHBondContact O-N 3.02Å; I70-Q72 VanDerWaalsContact C-N 3.35Å; I70-Q72 PolarHBondContact O-N 3.31Å; I70-R73 PolarHBondContact O-N 2.99Å; I70-L74 HydrophobicContact CG2-CD1 4.08Å; I70-L74 HydrophobicContact CG2-CG 4.46Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.19Å |
| 71 | N | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 103.3 Ų | 103.3 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 179.1 | -164.6 | -82.6 | 0 | 0 | 0 | 111.8 | L67 K68 V69 R73 L74 Q75 | L67-N71 VanDerWaalsContact O-CB 3.27Å; L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 2.86Å; K68-N71 PolarHBondContact O-N 3.36Å; V69-N71 VanDerWaalsContact C-N 3.33Å; V69-N71 PolarHBondContact O-N 2.62Å; N71-R73 PolarHBondContact O-N 2.81Å; N71-L74 PolarHBondContact O-N 3.43Å; N71-Q75 WeakPolarHBondContact O-CG 3.36Å; N71-Q75 PolarHBondContact O-N 3.33Å; N71-Q75 PolarHBondContact OD1-NE2 3.45Å |
| 72 | Q | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 105.4 Ų | 105.4 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 175.9 | -178.9 | 59.3 | 39.1 | 0 | 0 | 111.4 | K68 V69 I70 L74 Q75 E76 | K68-Q72 WeakPolarHBondContact O-CB 3.34Å; K68-Q72 PolarHBondContact O-N 2.93Å; V69-Q72 PolarHBondContact O-N 3.5Å; I70-Q72 VanDerWaalsContact C-N 3.35Å; I70-Q72 PolarHBondContact O-N 3.31Å; Q72-L74 VanDerWaalsContact C-N 3.35Å; Q72-L74 PolarHBondContact O-N 3.25Å; Q72-Q75 WeakPolarHBondContact O-CB 3.39Å; Q72-Q75 PolarHBondContact O-N 2.94Å; Q72-Q75 VanDerWaalsContact O-N 3.13Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.49Å; Q72-E76 PolarHBondContact NE2-OE1 3.06Å; Q72-E76 WeakPolarHBondContact O-CG 3.37Å; Q72-E76 PolarHBondContact O-N 3.43Å |
| 73 | R | 98.8 | Very high | 98.8 | Very high | 159 Ų | 159 | 106 Ų | 106 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 175.7 | 179.8 | -180 | 169.5 | 170.4 | 3 | 112.2 | V69 I70 N71 Q75 E76 E77 | V69-R73 PolarHBondContact O-N 2.89Å; I70-R73 PolarHBondContact O-N 2.99Å; N71-R73 PolarHBondContact O-N 2.81Å; R73-Q75 VanDerWaalsContact C-N 3.27Å; R73-Q75 PolarHBondContact O-N 3.34Å; R73-E76 WeakPolarHBondContact O-CB 3.07Å; R73-E76 PolarHBondContact O-N 3.02Å; R73-E77 IonicContact CZ-OE1 2.93Å; R73-E77 IonicContact NE-OE1 2.75Å; R73-E77 PolarHBondContact NE-OE1 3.24Å; R73-E77 IonicContact NH2-OE1 3.3Å; R73-E77 PolarHBondContact NH2-OE1 3.29Å; R73-E77 WeakPolarHBondContact O-CG 3.34Å; R73-E77 PolarHBondContact O-N 2.87Å |
| 74 | L | 98.9 | Very high | 98.8 | Very high | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 176.6 | -73.4 | 172.8 | 0 | 0 | 0 | 111.9 | I70 N71 Q72 N78 | I70-L74 HydrophobicContact CG2-CD1 4.08Å; I70-L74 HydrophobicContact CG2-CG 4.46Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.19Å; N71-L74 PolarHBondContact O-N 3.43Å; Q72-L74 VanDerWaalsContact C-N 3.35Å; Q72-L74 PolarHBondContact O-N 3.25Å; L74-N78 WeakPolarHBondContact O-CB 3.47Å; L74-N78 PolarHBondContact O-N 2.95Å |
| 75 | Q | 98.9 | Very high | 98.8 | Very high | 101 Ų | 101 | 104.9 Ų | 104.9 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 174.7 | -72.7 | -179.9 | 14.6 | 0 | 0 | 111.6 | N71 Q72 R73 N78 T79 | N71-Q75 WeakPolarHBondContact O-CG 3.36Å; N71-Q75 PolarHBondContact O-N 3.33Å; N71-Q75 PolarHBondContact OD1-NE2 3.45Å; Q72-Q75 WeakPolarHBondContact O-CB 3.39Å; Q72-Q75 PolarHBondContact O-N 2.94Å; Q72-Q75 VanDerWaalsContact O-N 3.13Å; R73-Q75 VanDerWaalsContact C-N 3.27Å; R73-Q75 PolarHBondContact O-N 3.34Å; Q75-N78 PolarHBondContact O-N 2.94Å; Q75-T79 PolarHBondContact O-N 2.99Å; Q75-T79 PolarHBondContact O-OG1 3.48Å |
| 76 | E | 98.8 | Very high | 98.8 | Very high | 92 Ų | 92 | 100.9 Ų | 100.9 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -52.6 | 175.6 | -72.3 | 163.1 | -166 | 0 | 0 | 111.3 | Q72 R73 N78 T79 E80 | Q72-E76 WeakPolarHBondContact CG-OE1 3.49Å; Q72-E76 PolarHBondContact NE2-OE1 3.06Å; Q72-E76 WeakPolarHBondContact O-CG 3.37Å; Q72-E76 PolarHBondContact O-N 3.43Å; R73-E76 WeakPolarHBondContact O-CB 3.07Å; R73-E76 PolarHBondContact O-N 3.02Å; E76-N78 PolarHBondContact O-N 3.23Å; E76-T79 WeakPolarHBondContact CA-OG1 3.49Å; E76-T79 PolarHBondContact O-N 3.17Å; E76-T79 PolarHBondContact O-OG1 3.29Å; E76-E80 WeakPolarHBondContact O-CG 3.43Å; E76-E80 PolarHBondContact O-N 3.13Å |
| 77 | E | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 100 Ų | 100 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 175.8 | -69.5 | 176.2 | -174 | 0 | 0 | 111.1 | R73 E80 L81 | R73-E77 IonicContact CZ-OE1 2.93Å; R73-E77 IonicContact NE-OE1 2.75Å; R73-E77 PolarHBondContact NE-OE1 3.24Å; R73-E77 IonicContact NH2-OE1 3.3Å; R73-E77 PolarHBondContact NH2-OE1 3.29Å; R73-E77 WeakPolarHBondContact O-CG 3.34Å; R73-E77 PolarHBondContact O-N 2.87Å; E77-E80 PolarHBondContact O-N 3.03Å; E77-L81 WeakPolarHBondContact O-CB 3.28Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.45Å; E77-L81 PolarHBondContact O-N 2.92Å |
| 78 | N | 98.8 | Very high | 98.8 | Very high | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.8 | -31.3 | 178.1 | -166.4 | -112.4 | 0 | 0 | 0 | 113 | L74 Q75 E76 R82 | L74-N78 WeakPolarHBondContact O-CB 3.47Å; L74-N78 PolarHBondContact O-N 2.95Å; Q75-N78 PolarHBondContact O-N 2.94Å; E76-N78 PolarHBondContact O-N 3.23Å; N78-R82 VanDerWaalsContact O-CZ 3.32Å; N78-R82 PolarHBondContact O-N 2.83Å; N78-R82 PolarHBondContact O-NE 2.96Å; N78-R82 PolarHBondContact O-NH2 3.35Å; N78-R82 PolarHBondContact OD1-NH1 3.14Å; N78-R82 PolarHBondContact OD1-NH2 3.49Å |
| 79 | T | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 96.7 Ų | 96.7 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -44.3 | 169.3 | 43.8 | 0 | 0 | 0 | 0 | 111.8 | Q75 E76 L81 R82 D83 | Q75-T79 PolarHBondContact O-N 2.99Å; Q75-T79 PolarHBondContact O-OG1 3.48Å; E76-T79 WeakPolarHBondContact CA-OG1 3.49Å; E76-T79 PolarHBondContact O-N 3.17Å; E76-T79 PolarHBondContact O-OG1 3.29Å; T79-L81 VanDerWaalsContact C-N 3.29Å; T79-L81 PolarHBondContact O-N 3.22Å; T79-R82 WeakPolarHBondContact O-CA 3.42Å; T79-R82 WeakPolarHBondContact O-CB 3.31Å; T79-R82 PolarHBondContact O-N 2.76Å; T79-D83 PolarHBondContact O-N 3.4Å |
| 80 | E | 98.8 | Very high | 98.8 | Very high | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | 176.7 | -70.3 | 175.4 | -177.4 | 0 | 0 | 111.8 | E76 E77 R82 D83 L84 | E76-E80 WeakPolarHBondContact O-CG 3.43Å; E76-E80 PolarHBondContact O-N 3.13Å; E77-E80 PolarHBondContact O-N 3.03Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.24Å; E80-D83 PolarHBondContact O-N 2.97Å; E80-L84 WeakPolarHBondContact O-CB 3.5Å; E80-L84 PolarHBondContact O-N 3.47Å |
| 81 | L | 98.9 | Very high | 98.8 | Very high | 102 Ų | 102 | 94 Ų | 94 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 174.6 | -75.3 | 173.5 | 0 | 0 | 0 | 112.6 | E77 T79 C85 | E77-L81 WeakPolarHBondContact O-CB 3.28Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.45Å; E77-L81 PolarHBondContact O-N 2.92Å; T79-L81 VanDerWaalsContact C-N 3.29Å; T79-L81 PolarHBondContact O-N 3.22Å; L81-C85 PolarHBondContact O-N 3.47Å; L81-C85 PolarHBondContact O-SG 3.27Å |
| 82 | R | 98.8 | Very high | 98.8 | Very high | 122 Ų | 122 | 96.3 Ų | 96.3 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 174.4 | -79.6 | -177.5 | -82.9 | -88.9 | -7.1 | 111.2 | N78 T79 E80 L84 C85 C86 | N78-R82 VanDerWaalsContact O-CZ 3.32Å; N78-R82 PolarHBondContact O-N 2.83Å; N78-R82 PolarHBondContact O-NE 2.96Å; N78-R82 PolarHBondContact O-NH2 3.35Å; N78-R82 PolarHBondContact OD1-NH1 3.14Å; N78-R82 PolarHBondContact OD1-NH2 3.49Å; T79-R82 WeakPolarHBondContact O-CA 3.42Å; T79-R82 WeakPolarHBondContact O-CB 3.31Å; T79-R82 PolarHBondContact O-N 2.76Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.24Å; R82-L84 VanDerWaalsContact C-N 3.32Å; R82-L84 PolarHBondContact O-N 3.16Å; R82-C85 WeakPolarHBondContact O-CB 3.43Å; R82-C85 PolarHBondContact O-N 3.47Å; R82-C85 VanDerWaalsContact O-N 3.16Å; R82-C86 PolarHBondContact O-N 3.47Å; R82-C86 PolarHBondContact O-SG 3.24Å |
| 83 | D | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 96.6 Ų | 96.6 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 179.8 | -65.8 | -18 | 0 | 0 | 0 | 111.2 | T79 E80 C85 C86 F87 | T79-D83 PolarHBondContact O-N 3.4Å; E80-D83 PolarHBondContact O-N 2.97Å; D83-C85 VanDerWaalsContact C-N 3.34Å; D83-C85 PolarHBondContact O-N 2.89Å; D83-C86 WeakPolarHBondContact O-CB 3.38Å; D83-C86 PolarHBondContact O-N 2.95Å; D83-F87 PolarHBondContact O-N 3.34Å |
| 84 | L | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 94.9 Ų | 94.9 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 173.2 | -178.3 | 62.1 | 0 | 0 | 0 | 112 | E80 R82 C86 F87 L88 | E80-L84 WeakPolarHBondContact O-CB 3.5Å; E80-L84 PolarHBondContact O-N 3.47Å; R82-L84 VanDerWaalsContact C-N 3.32Å; R82-L84 PolarHBondContact O-N 3.16Å; L84-C86 VanDerWaalsContact C-N 3.34Å; L84-C86 PolarHBondContact O-N 3.04Å; L84-F87 PolarHBondContact O-N 2.94Å; L84-L88 HydrophobicContact CD1-CD1 4.32Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CG-CD1 4.09Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 VanDerWaalsContact O-CG 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.31Å |
| 85 | C | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 94.8 Ų | 94.8 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 175.7 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | L81 R82 D83 F87 L88 D89 | L81-C85 PolarHBondContact O-N 3.47Å; L81-C85 PolarHBondContact O-SG 3.27Å; R82-C85 WeakPolarHBondContact O-CB 3.43Å; R82-C85 PolarHBondContact O-N 3.47Å; R82-C85 VanDerWaalsContact O-N 3.16Å; D83-C85 VanDerWaalsContact C-N 3.34Å; D83-C85 PolarHBondContact O-N 2.89Å; C85-F87 PolarHBondContact O-N 3.06Å; C85-L88 PolarHBondContact O-N 3.43Å; C85-D89 PolarHBondContact O-N 2.66Å |
| 86 | C | 98.7 | Very high | 98.8 | Very high | 77 Ų | 77 | 95 Ų | 95 | 52% | 0.52 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 175.7 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | R82 D83 L84 L88 D89 D90 | R82-C86 PolarHBondContact O-N 3.47Å; R82-C86 PolarHBondContact O-SG 3.24Å; D83-C86 WeakPolarHBondContact O-CB 3.38Å; D83-C86 PolarHBondContact O-N 2.95Å; L84-C86 VanDerWaalsContact C-N 3.34Å; L84-C86 PolarHBondContact O-N 3.04Å; C86-L88 PolarHBondContact O-N 3.41Å; C86-D89 PolarHBondContact O-N 3.3Å; C86-D90 PolarHBondContact O-N 2.98Å |
| 87 | F | 98.7 | Very high | 98.8 | Very high | 111 Ų | 111 | 97 Ų | 97 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 177.8 | 177.9 | -92.4 | 0 | 0 | 0 | 112.4 | D83 L84 C85 D89 D90 D91 | D83-F87 PolarHBondContact O-N 3.34Å; L84-F87 PolarHBondContact O-N 2.94Å; C85-F87 PolarHBondContact O-N 3.06Å; F87-D89 VanDerWaalsContact C-N 3.33Å; F87-D89 PolarHBondContact O-N 3.04Å; F87-D90 PolarHBondContact O-N 3.26Å; F87-D91 WeakPolarHBondContact CE1-OD2 3.37Å; F87-D91 WeakPolarHBondContact CZ-OD2 3.46Å; F87-D91 PolarHBondContact O-N 3.42Å |
| 88 | L | 98.8 | Very high | 98.8 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 179 | -69.8 | 175 | 0 | 0 | 0 | 112.4 | L84 C85 C86 D91 R92 | L84-L88 HydrophobicContact CD1-CD1 4.32Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CG-CD1 4.09Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 VanDerWaalsContact O-CG 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.31Å; C85-L88 PolarHBondContact O-N 3.43Å; C86-L88 PolarHBondContact O-N 3.41Å; L88-D91 PolarHBondContact O-N 2.9Å; L88-R92 VanDerWaalsContact O-CB 3.27Å; L88-R92 WeakPolarHBondContact O-CB 3.27Å; L88-R92 PolarHBondContact O-N 3.21Å |
| 89 | D | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 174.2 | -95.7 | -36.9 | 0 | 0 | 0 | 112 | C85 C86 F87 R92 L93 | C85-D89 PolarHBondContact O-N 2.66Å; C86-D89 PolarHBondContact O-N 3.3Å; F87-D89 VanDerWaalsContact C-N 3.33Å; F87-D89 PolarHBondContact O-N 3.04Å; D89-R92 WeakPolarHBondContact O-CB 3.37Å; D89-R92 PolarHBondContact O-N 3.36Å; D89-R92 IonicContact OD1-CZ 3.84Å; D89-R92 VanDerWaalsContact OD1-CZ 3.27Å; D89-R92 IonicContact OD1-NE 3.22Å; D89-R92 PolarHBondContact OD1-NE 3.45Å; D89-R92 IonicContact OD1-NH2 3.47Å; D89-R92 PolarHBondContact OD1-NH2 3.35Å; D89-L93 WeakPolarHBondContact O-CG 3.45Å; D89-L93 PolarHBondContact O-N 3Å |
| 90 | D | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 102.5 Ų | 102.5 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.4 | -76.2 | -19 | 0 | 0 | 0 | 111.5 | C86 F87 R92 L93 K94 | C86-D90 PolarHBondContact O-N 2.98Å; F87-D90 PolarHBondContact O-N 3.26Å; D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 PolarHBondContact O-N 2.89Å; D90-L93 WeakPolarHBondContact O-CB 3.39Å; D90-L93 PolarHBondContact O-N 3.5Å; D90-L93 VanDerWaalsContact O-N 3.12Å; D90-K94 WeakPolarHBondContact O-CG 3.36Å; D90-K94 PolarHBondContact O-N 3.43Å |
| 91 | D | 98.8 | Very high | 98.8 | Very high | 55 Ų | 55 | 101 Ų | 101 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 177.4 | -85 | 4.9 | 0 | 0 | 0 | 112 | F87 L88 L93 K94 V95 | F87-D91 WeakPolarHBondContact CE1-OD2 3.37Å; F87-D91 WeakPolarHBondContact CZ-OD2 3.46Å; F87-D91 PolarHBondContact O-N 3.42Å; L88-D91 PolarHBondContact O-N 2.9Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.31Å; D91-K94 PolarHBondContact O-N 3.13Å; D91-K94 IonicContact OD1-NZ 3.27Å; D91-K94 PolarHBondContact OD1-NZ 3.15Å; D91-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 PolarHBondContact O-N 2.88Å |
| 92 | R | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 104.6 Ų | 104.6 | 50% | 0.502 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 172.6 | -175.5 | -179.9 | 67.9 | 145.6 | -5.5 | 111.6 | L88 D89 D90 K96 | L88-R92 VanDerWaalsContact O-CB 3.27Å; L88-R92 WeakPolarHBondContact O-CB 3.27Å; L88-R92 PolarHBondContact O-N 3.21Å; D89-R92 WeakPolarHBondContact O-CB 3.37Å; D89-R92 PolarHBondContact O-N 3.36Å; D89-R92 IonicContact OD1-CZ 3.84Å; D89-R92 VanDerWaalsContact OD1-CZ 3.27Å; D89-R92 IonicContact OD1-NE 3.22Å; D89-R92 PolarHBondContact OD1-NE 3.45Å; D89-R92 IonicContact OD1-NH2 3.47Å; D89-R92 PolarHBondContact OD1-NH2 3.35Å; D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 PolarHBondContact O-N 2.89Å; R92-K96 WeakPolarHBondContact O-CG 3.47Å; R92-K96 PolarHBondContact O-N 2.9Å; R92-K96 VanDerWaalsContact O-N 3.13Å |
| 93 | L | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 105.7 Ų | 105.7 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 176 | -69.9 | 174.7 | 0 | 0 | 0 | 112 | D89 D90 D91 K96 K97 | D89-L93 WeakPolarHBondContact O-CG 3.45Å; D89-L93 PolarHBondContact O-N 3Å; D90-L93 WeakPolarHBondContact O-CB 3.39Å; D90-L93 PolarHBondContact O-N 3.5Å; D90-L93 VanDerWaalsContact O-N 3.12Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.31Å; L93-K96 PolarHBondContact O-N 3.12Å; L93-K97 PolarHBondContact O-N 3.49Å |
| 94 | K | 98.8 | Very high | 98.7 | Very high | 122 Ų | 122 | 105.5 Ų | 105.5 | 53% | 0.53 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 175 | -68.2 | 171.8 | -158.7 | 156.7 | 0 | 111.4 | D90 D91 K96 K97 L98 | D90-K94 WeakPolarHBondContact O-CG 3.36Å; D90-K94 PolarHBondContact O-N 3.43Å; D91-K94 PolarHBondContact O-N 3.13Å; D91-K94 IonicContact OD1-NZ 3.27Å; D91-K94 PolarHBondContact OD1-NZ 3.15Å; K94-K96 VanDerWaalsContact C-N 3.34Å; K94-K96 PolarHBondContact O-N 3.02Å; K94-K97 PolarHBondContact O-N 2.88Å; K94-K97 VanDerWaalsContact O-N 3.15Å; K94-L98 WeakPolarHBondContact O-CB 3.34Å; K94-L98 PolarHBondContact O-N 3.37Å |
| 95 | V | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 107.1 Ų | 107.1 | 58% | 0.582 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 178 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | D91 K97 L98 A99 | D91-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 PolarHBondContact O-N 2.88Å; V95-K97 VanDerWaalsContact C-N 3.34Å; V95-K97 PolarHBondContact O-N 2.99Å; V95-L98 PolarHBondContact O-N 3.28Å; V95-A99 WeakPolarHBondContact O-CB 3.36Å; V95-A99 PolarHBondContact O-N 3.45Å |
| 96 | K | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175 | -78.4 | 177.2 | 179.6 | 176.6 | 0 | 112.4 | R92 L93 K94 R100 | R92-K96 WeakPolarHBondContact O-CG 3.47Å; R92-K96 PolarHBondContact O-N 2.9Å; R92-K96 VanDerWaalsContact O-N 3.13Å; L93-K96 PolarHBondContact O-N 3.12Å; K94-K96 VanDerWaalsContact C-N 3.34Å; K94-K96 PolarHBondContact O-N 3.02Å; K96-R100 WeakPolarHBondContact O-CG 3.48Å; K96-R100 PolarHBondContact O-N 3Å |
| 97 | K | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 107.1 Ų | 107.1 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -48.9 | 177.1 | -171.7 | -177.2 | 178.9 | -166.9 | 0 | 110.7 | L93 K94 V95 A99 R100 E101 | L93-K97 PolarHBondContact O-N 3.49Å; K94-K97 PolarHBondContact O-N 2.88Å; K94-K97 VanDerWaalsContact O-N 3.15Å; V95-K97 VanDerWaalsContact C-N 3.34Å; V95-K97 PolarHBondContact O-N 2.99Å; K97-A99 VanDerWaalsContact C-N 3.32Å; K97-A99 PolarHBondContact O-N 3.34Å; K97-R100 WeakPolarHBondContact O-CB 3.44Å; K97-R100 PolarHBondContact O-N 3.03Å; K97-R100 VanDerWaalsContact O-N 3.11Å; K97-E101 WeakPolarHBondContact CE-OE1 3.19Å; K97-E101 IonicContact NZ-OE1 2.83Å; K97-E101 PolarHBondContact O-N 3.11Å |
| 98 | L | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 107.2 Ų | 107.2 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.8 | -42.6 | 178.3 | -175.7 | 64 | 0 | 0 | 0 | 111.8 | K94 V95 R100 E101 W102 | K94-L98 WeakPolarHBondContact O-CB 3.34Å; K94-L98 PolarHBondContact O-N 3.37Å; V95-L98 PolarHBondContact O-N 3.28Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 3.43Å; L98-E101 PolarHBondContact O-N 2.81Å; L98-W102 VanDerWaalsContact O-CB 3.3Å; L98-W102 WeakPolarHBondContact O-CB 3.47Å; L98-W102 PolarHBondContact O-N 3.39Å |
| 99 | A | 98.8 | Very high | 98.8 | Very high | 50 Ų | 50 | 104.2 Ų | 104.2 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V95 K97 W102 Q103 | V95-A99 WeakPolarHBondContact O-CB 3.36Å; V95-A99 PolarHBondContact O-N 3.45Å; K97-A99 VanDerWaalsContact C-N 3.32Å; K97-A99 PolarHBondContact O-N 3.34Å; A99-W102 PolarHBondContact O-N 2.98Å; A99-Q103 WeakPolarHBondContact O-CG 3.46Å; A99-Q103 PolarHBondContact O-N 3.27Å |
| 100 | R | 98.8 | Very high | 98.8 | Very high | 174 Ų | 174 | 102.6 Ų | 102.6 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -46.3 | 175.8 | -68.4 | 172.6 | -177.1 | -167.3 | 0 | 111.4 | K96 K97 L98 W102 Q103 L104 | K96-R100 WeakPolarHBondContact O-CG 3.48Å; K96-R100 PolarHBondContact O-N 3Å; K97-R100 WeakPolarHBondContact O-CB 3.44Å; K97-R100 PolarHBondContact O-N 3.03Å; K97-R100 VanDerWaalsContact O-N 3.11Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 3.43Å; R100-W102 VanDerWaalsContact C-N 3.28Å; R100-W102 PolarHBondContact O-N 3.36Å; R100-Q103 PolarHBondContact O-N 2.88Å; R100-L104 WeakPolarHBondContact O-CD1 3.3Å; R100-L104 PolarHBondContact O-N 3.34Å |
| 101 | E | 98.7 | Very high | 98.8 | Very high | 96 Ų | 96 | 102.9 Ų | 102.9 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 176.5 | -70.7 | 174.4 | 178.4 | 0 | 0 | 111.3 | K97 L98 L104 F105 | K97-E101 WeakPolarHBondContact CE-OE1 3.19Å; K97-E101 IonicContact NZ-OE1 2.83Å; K97-E101 PolarHBondContact O-N 3.11Å; L98-E101 PolarHBondContact O-N 2.81Å; E101-L104 WeakPolarHBondContact O-CB 3.34Å; E101-L104 PolarHBondContact O-N 3.25Å; E101-F105 WeakPolarHBondContact O-CB 3.48Å; E101-F105 PolarHBondContact O-N 2.96Å |
| 102 | W | 98.8 | Very high | 98.8 | Very high | 179 Ų | 179 | 103.7 Ų | 103.7 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175.9 | -166 | -101.7 | 0 | 0 | 0 | 112.7 | L98 A99 R100 F105 G106 | L98-W102 VanDerWaalsContact O-CB 3.3Å; L98-W102 WeakPolarHBondContact O-CB 3.47Å; L98-W102 PolarHBondContact O-N 3.39Å; A99-W102 PolarHBondContact O-N 2.98Å; R100-W102 VanDerWaalsContact C-N 3.28Å; R100-W102 PolarHBondContact O-N 3.36Å; W102-F105 PolarHBondContact O-N 2.98Å; W102-G106 PolarHBondContact O-N 3.45Å |
| 103 | Q | 98.7 | Very high | 98.8 | Very high | 144 Ų | 144 | 104 Ų | 104 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 174 | -76.4 | 176.3 | -11.7 | 0 | 0 | 112 | A99 R100 G106 H107 | A99-Q103 WeakPolarHBondContact O-CG 3.46Å; A99-Q103 PolarHBondContact O-N 3.27Å; R100-Q103 PolarHBondContact O-N 2.88Å; Q103-G106 PolarHBondContact O-N 2.78Å; Q103-H107 PolarHBondContact O-N 2.94Å |
| 104 | L | 98.8 | Very high | 98.8 | Very high | 105 Ų | 105 | 106.3 Ų | 106.3 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 175 | -79.4 | 152.1 | 0 | 0 | 0 | 110.6 | R100 E101 G106 H107 H108 | R100-L104 WeakPolarHBondContact O-CD1 3.3Å; R100-L104 PolarHBondContact O-N 3.34Å; E101-L104 WeakPolarHBondContact O-CB 3.34Å; E101-L104 PolarHBondContact O-N 3.25Å; L104-G106 VanDerWaalsContact C-N 3.34Å; L104-G106 PolarHBondContact O-N 3.2Å; L104-H107 PolarHBondContact O-N 3.41Å; L104-H108 PolarHBondContact O-CD2 3.2Å; L104-H108 PolarHBondContact O-N 3.06Å |
| 105 | F | 98.8 | Very high | 98.8 | Very high | 123 Ų | 123 | 106 Ų | 106 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.7 | -49.4 | 175.8 | 171.9 | -99.2 | 0 | 0 | 0 | 111.6 | E101 W102 H107 H108 A109 | E101-F105 WeakPolarHBondContact O-CB 3.48Å; E101-F105 PolarHBondContact O-N 2.96Å; W102-F105 PolarHBondContact O-N 2.98Å; F105-H107 VanDerWaalsContact C-N 3.32Å; F105-H107 PolarHBondContact O-N 2.85Å; F105-H108 PolarHBondContact O-N 3.28Å; F105-A109 HydrophobicContact CZ-CB 4.46Å; F105-A109 WeakPolarHBondContact O-CB 3.38Å; F105-A109 PolarHBondContact O-N 3.16Å |
| 106 | G | 98.8 | Very high | 98.8 | Very high | 34 Ų | 34 | 105.4 Ų | 105.4 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W102 Q103 L104 A110 | W102-G106 PolarHBondContact O-N 3.45Å; Q103-G106 PolarHBondContact O-N 2.78Å; L104-G106 VanDerWaalsContact C-N 3.34Å; L104-G106 PolarHBondContact O-N 3.2Å; G106-A110 VanDerWaalsContact O-CB 3.31Å; G106-A110 WeakPolarHBondContact O-CB 3.5Å; G106-A110 PolarHBondContact O-N 3.37Å |
| 107 | H | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -46.7 | 175 | -176.4 | 81.8 | 0 | 0 | 0 | 112 | Q103 L104 F105 A110 K111 | Q103-H107 PolarHBondContact O-N 2.94Å; L104-H107 PolarHBondContact O-N 3.41Å; F105-H107 VanDerWaalsContact C-N 3.32Å; F105-H107 PolarHBondContact O-N 2.85Å; H107-A110 PolarHBondContact O-N 3.46Å; H107-K111 WeakPolarHBondContact O-CB 3.36Å; H107-K111 PolarHBondContact O-N 2.85Å |
| 108 | H | 98.8 | Very high | 98.8 | Very high | 112 Ų | 112 | 100.8 Ų | 100.8 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 178.2 | -75.4 | -66.4 | 0 | 0 | 0 | 111.9 | L104 F105 A110 K111 V112 | L104-H108 PolarHBondContact O-CD2 3.2Å; L104-H108 PolarHBondContact O-N 3.06Å; F105-H108 PolarHBondContact O-N 3.28Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 3.04Å; H108-K111 WeakPolarHBondContact O-CB 3.46Å; H108-K111 PolarHBondContact O-N 3.42Å; H108-K111 VanDerWaalsContact O-N 3.14Å; H108-V112 WeakPolarHBondContact O-CG2 2.84Å; H108-V112 PolarHBondContact O-N 3.42Å |
| 109 | A | 98.8 | Very high | 98.7 | Very high | 36 Ų | 36 | 97.8 Ų | 97.8 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F105 K111 V112 M113 | F105-A109 HydrophobicContact CZ-CB 4.46Å; F105-A109 WeakPolarHBondContact O-CB 3.38Å; F105-A109 PolarHBondContact O-N 3.16Å; A109-K111 VanDerWaalsContact C-N 3.31Å; A109-K111 PolarHBondContact O-N 3.36Å; A109-V112 PolarHBondContact O-N 2.98Å; A109-M113 WeakPolarHBondContact O-CG 3.31Å; A109-M113 PolarHBondContact O-N 3.01Å |
| 110 | A | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 103.2 Ų | 103.2 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G106 H107 H108 R114 | G106-A110 VanDerWaalsContact O-CB 3.31Å; G106-A110 WeakPolarHBondContact O-CB 3.5Å; G106-A110 PolarHBondContact O-N 3.37Å; H107-A110 PolarHBondContact O-N 3.46Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 3.04Å; A110-R114 WeakPolarHBondContact O-CG 3.43Å; A110-R114 PolarHBondContact O-N 3.14Å; A110-R114 VanDerWaalsContact O-N 3.16Å; A110-R114 PolarHBondContact O-NH1 3.31Å |
| 111 | K | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 99.9 Ų | 99.9 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -51.6 | 175.5 | -180 | -178.9 | 170.5 | -177.3 | 0 | 111.1 | H107 H108 A109 M113 R114 E115 | H107-K111 WeakPolarHBondContact O-CB 3.36Å; H107-K111 PolarHBondContact O-N 2.85Å; H108-K111 WeakPolarHBondContact O-CB 3.46Å; H108-K111 PolarHBondContact O-N 3.42Å; H108-K111 VanDerWaalsContact O-N 3.14Å; A109-K111 VanDerWaalsContact C-N 3.31Å; A109-K111 PolarHBondContact O-N 3.36Å; K111-M113 VanDerWaalsContact C-N 3.33Å; K111-M113 PolarHBondContact O-N 2.97Å; K111-R114 PolarHBondContact O-N 3.38Å; K111-R114 VanDerWaalsContact O-N 3.14Å; K111-E115 WeakPolarHBondContact CE-OE1 3.35Å; K111-E115 IonicContact NZ-OE1 2.76Å; K111-E115 WeakPolarHBondContact O-CG 3.37Å; K111-E115 PolarHBondContact O-N 3.14Å |
| 112 | V | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.2 | -48 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | H108 A109 R114 E115 D116 | H108-V112 WeakPolarHBondContact O-CG2 2.84Å; H108-V112 PolarHBondContact O-N 3.42Å; A109-V112 PolarHBondContact O-N 2.98Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 2.83Å; V112-E115 PolarHBondContact O-N 3.43Å; V112-E115 VanDerWaalsContact O-N 3.1Å; V112-D116 PolarHBondContact O-N 2.91Å |
| 113 | M | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 100.3 Ų | 100.3 | 68% | 0.68 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -37.5 | 178.2 | -71 | -166.9 | 80.9 | 0 | 0 | 113.4 | A109 K111 L117 | A109-M113 WeakPolarHBondContact O-CG 3.31Å; A109-M113 PolarHBondContact O-N 3.01Å; K111-M113 VanDerWaalsContact C-N 3.33Å; K111-M113 PolarHBondContact O-N 2.97Å; M113-L117 VanDerWaalsContact O-CB 3.26Å; M113-L117 WeakPolarHBondContact O-CB 3.26Å; M113-L117 PolarHBondContact O-N 2.98Å |
| 114 | R | 98.8 | Very high | 98.7 | Very high | 150 Ų | 150 | 97.7 Ų | 97.7 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.9 | -40 | 176.1 | -76.3 | -169.9 | -58.9 | -86.5 | 0.9 | 112.1 | A110 K111 V112 G118 | A110-R114 WeakPolarHBondContact O-CG 3.43Å; A110-R114 PolarHBondContact O-N 3.14Å; A110-R114 VanDerWaalsContact O-N 3.16Å; A110-R114 PolarHBondContact O-NH1 3.31Å; K111-R114 PolarHBondContact O-N 3.38Å; K111-R114 VanDerWaalsContact O-N 3.14Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 2.83Å; R114-G118 PolarHBondContact O-N 3.05Å |
| 115 | E | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 177.4 | -71.1 | 171.9 | 174.7 | 0 | 0 | 110.7 | K111 V112 G118 G119 | K111-E115 WeakPolarHBondContact CE-OE1 3.35Å; K111-E115 IonicContact NZ-OE1 2.76Å; K111-E115 WeakPolarHBondContact O-CG 3.37Å; K111-E115 PolarHBondContact O-N 3.14Å; V112-E115 PolarHBondContact O-N 3.43Å; V112-E115 VanDerWaalsContact O-N 3.1Å; E115-G118 PolarHBondContact O-N 3.36Å; E115-G119 PolarHBondContact O-N 2.95Å |
| 116 | D | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 91.9 Ų | 91.9 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 177.5 | -70.2 | -18.7 | 0 | 0 | 0 | 111.6 | V112 G118 G119 Y120 | V112-D116 PolarHBondContact O-N 2.91Å; D116-G118 VanDerWaalsContact C-N 3.34Å; D116-G118 PolarHBondContact O-N 2.92Å; D116-G119 WeakPolarHBondContact O-CA 3.34Å; D116-G119 PolarHBondContact O-N 3.25Å; D116-G119 VanDerWaalsContact O-N 3.13Å; D116-Y120 HydrophobicContact CB-CE2 4.22Å; D116-Y120 WeakPolarHBondContact O-CD2 3.47Å; D116-Y120 PolarHBondContact O-N 3.43Å |
| 117 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.3 | -179.1 | 60.7 | 0 | 0 | 0 | 111.8 | M113 G119 Y120 L121 | M113-L117 VanDerWaalsContact O-CB 3.26Å; M113-L117 WeakPolarHBondContact O-CB 3.26Å; M113-L117 PolarHBondContact O-N 2.98Å; L117-G119 VanDerWaalsContact C-N 3.29Å; L117-G119 PolarHBondContact O-N 2.9Å; L117-Y120 PolarHBondContact O-N 3.1Å; L117-L121 HydrophobicContact CD1-CG 4.36Å; L117-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 WeakPolarHBondContact O-CG 3.48Å; L117-L121 PolarHBondContact O-N 3.26Å |
| 118 | G | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 94 Ų | 94 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R114 E115 D116 L121 K122 | R114-G118 PolarHBondContact O-N 3.05Å; E115-G118 PolarHBondContact O-N 3.36Å; D116-G118 VanDerWaalsContact C-N 3.34Å; D116-G118 PolarHBondContact O-N 2.92Å; G118-L121 PolarHBondContact O-N 2.93Å; G118-K122 WeakPolarHBondContact O-CB 3.18Å; G118-K122 PolarHBondContact O-N 3.43Å |
| 119 | G | 98.7 | Very high | 98.7 | Very high | 43 Ų | 43 | 95.9 Ų | 95.9 | 44% | 0.443 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E115 D116 L117 K122 K123 | E115-G119 PolarHBondContact O-N 2.95Å; D116-G119 WeakPolarHBondContact O-CA 3.34Å; D116-G119 PolarHBondContact O-N 3.25Å; D116-G119 VanDerWaalsContact O-N 3.13Å; L117-G119 VanDerWaalsContact C-N 3.29Å; L117-G119 PolarHBondContact O-N 2.9Å; G119-K122 PolarHBondContact O-N 3.03Å; G119-K123 PolarHBondContact O-N 3.5Å |
| 120 | Y | 98.7 | Very high | 98.7 | Very high | 164 Ų | 164 | 100.3 Ų | 100.3 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 176.8 | -64.5 | -46 | 0 | 0 | 0 | 112.5 | D116 L117 K122 K123 L124 | D116-Y120 HydrophobicContact CB-CE2 4.22Å; D116-Y120 WeakPolarHBondContact O-CD2 3.47Å; D116-Y120 PolarHBondContact O-N 3.43Å; L117-Y120 PolarHBondContact O-N 3.1Å; Y120-K122 VanDerWaalsContact C-N 3.33Å; Y120-K122 PolarHBondContact O-N 3.45Å; Y120-K123 PolarHBondContact O-N 2.91Å; Y120-L124 WeakPolarHBondContact O-CB 3.48Å; Y120-L124 PolarHBondContact O-N 3.13Å |
| 121 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 104.2 Ų | 104.2 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 177.1 | -71.7 | 174.4 | 0 | 0 | 0 | 111.9 | L117 G118 L124 A125 | L117-L121 HydrophobicContact CD1-CG 4.36Å; L117-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 WeakPolarHBondContact O-CG 3.48Å; L117-L121 PolarHBondContact O-N 3.26Å; G118-L121 PolarHBondContact O-N 2.93Å; L121-L124 PolarHBondContact O-N 3.24Å; L121-A125 PolarHBondContact O-N 3.02Å |
| 122 | K | 98.8 | Very high | 98.7 | Very high | 147 Ų | 147 | 104.9 Ų | 104.9 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 174.9 | 179.2 | 171.5 | -178.6 | 170.9 | 0 | 111.6 | G118 G119 Y120 L124 A125 D126 | G118-K122 WeakPolarHBondContact O-CB 3.18Å; G118-K122 PolarHBondContact O-N 3.43Å; G119-K122 PolarHBondContact O-N 3.03Å; Y120-K122 VanDerWaalsContact C-N 3.33Å; Y120-K122 PolarHBondContact O-N 3.45Å; K122-L124 VanDerWaalsContact C-N 3.3Å; K122-L124 PolarHBondContact O-N 3.4Å; K122-A125 PolarHBondContact O-N 3.13Å; K122-D126 PolarHBondContact O-N 3.01Å |
| 123 | K | 98.8 | Very high | 98.7 | Very high | 137 Ų | 137 | 102.8 Ų | 102.8 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 178.9 | -171.9 | 170.6 | -177.1 | 177.4 | 0 | 111.9 | G119 Y120 D126 L127 | G119-K123 PolarHBondContact O-N 3.5Å; Y120-K123 PolarHBondContact O-N 2.91Å; K123-D126 PolarHBondContact O-N 3.32Å; K123-L127 HydrophobicContact CG-CD1 4.43Å; K123-L127 WeakPolarHBondContact O-CG 3.41Å; K123-L127 PolarHBondContact O-N 3.05Å |
| 124 | L | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 101.1 Ų | 101.1 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 175.3 | -173.7 | 66 | 0 | 0 | 0 | 111.1 | Y120 L121 K122 D126 L127 E128 | Y120-L124 WeakPolarHBondContact O-CB 3.48Å; Y120-L124 PolarHBondContact O-N 3.13Å; L121-L124 PolarHBondContact O-N 3.24Å; K122-L124 VanDerWaalsContact C-N 3.3Å; K122-L124 PolarHBondContact O-N 3.4Å; L124-D126 VanDerWaalsContact C-N 3.29Å; L124-D126 PolarHBondContact O-N 3.45Å; L124-L127 PolarHBondContact O-N 3.29Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L124-E128 WeakPolarHBondContact O-CG 3.5Å; L124-E128 PolarHBondContact O-N 2.91Å |
| 125 | A | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 97.6 Ų | 97.6 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L121 K122 R129 | L121-A125 PolarHBondContact O-N 3.02Å; K122-A125 PolarHBondContact O-N 3.13Å; A125-R129 WeakPolarHBondContact O-CB 3.42Å; A125-R129 PolarHBondContact O-N 2.9Å; A125-R129 VanDerWaalsContact O-N 3.13Å |
| 126 | D | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 98.7 Ų | 98.7 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 175.1 | -71.4 | -26.8 | 0 | 0 | 0 | 112.1 | K122 K123 L124 R129 M130 | K122-D126 PolarHBondContact O-N 3.01Å; K123-D126 PolarHBondContact O-N 3.32Å; L124-D126 VanDerWaalsContact C-N 3.29Å; L124-D126 PolarHBondContact O-N 3.45Å; D126-R129 IonicContact OD1-CZ 3.96Å; D126-R129 VanDerWaalsContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 2.78Å; D126-R129 PolarHBondContact OD1-NH1 3.19Å; D126-R129 IonicContact OD1-NH2 3.24Å; D126-R129 PolarHBondContact OD1-NH2 3.13Å; D126-M130 PolarHBondContact O-N 2.75Å; D126-M130 VanDerWaalsContact O-N 3.08Å |
| 127 | L | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 174.9 | -72.1 | 172.1 | 0 | 0 | 0 | 112.1 | K123 L124 R129 M130 Q131 | K123-L127 HydrophobicContact CG-CD1 4.43Å; K123-L127 WeakPolarHBondContact O-CG 3.41Å; K123-L127 PolarHBondContact O-N 3.05Å; L124-L127 PolarHBondContact O-N 3.29Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L127-R129 VanDerWaalsContact C-N 3.35Å; L127-R129 PolarHBondContact O-N 3.48Å; L127-M130 PolarHBondContact O-N 3.3Å; L127-Q131 WeakPolarHBondContact O-CB 3.5Å; L127-Q131 PolarHBondContact O-N 3.5Å |
| 128 | E | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 174.5 | -72.8 | 172.1 | 164.8 | 0 | 0 | 110.9 | L124 M130 Q131 D132 | L124-E128 WeakPolarHBondContact O-CG 3.5Å; L124-E128 PolarHBondContact O-N 2.91Å; E128-M130 VanDerWaalsContact C-N 3.32Å; E128-M130 PolarHBondContact O-N 3.08Å; E128-Q131 WeakPolarHBondContact O-CB 3.36Å; E128-Q131 PolarHBondContact O-N 3.4Å; E128-D132 PolarHBondContact O-N 3.18Å |
| 129 | R | 98.7 | Very high | 98.6 | Very high | 151 Ų | 151 | 101.5 Ų | 101.5 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 176.8 | -167 | -171.1 | -48.5 | 114.6 | 13.1 | 112.6 | A125 D126 L127 D132 G133 | A125-R129 WeakPolarHBondContact O-CB 3.42Å; A125-R129 PolarHBondContact O-N 2.9Å; A125-R129 VanDerWaalsContact O-N 3.13Å; D126-R129 IonicContact OD1-CZ 3.96Å; D126-R129 VanDerWaalsContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 2.78Å; D126-R129 PolarHBondContact OD1-NH1 3.19Å; D126-R129 IonicContact OD1-NH2 3.24Å; D126-R129 PolarHBondContact OD1-NH2 3.13Å; L127-R129 VanDerWaalsContact C-N 3.35Å; L127-R129 PolarHBondContact O-N 3.48Å; R129-D132 PolarHBondContact O-N 3.37Å; R129-G133 PolarHBondContact O-N 3.33Å; R129-G133 VanDerWaalsContact O-N 3.1Å |
| 130 | M | 98.6 | Very high | 98.6 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 177.1 | -176.2 | 170.7 | -79.6 | 0 | 0 | 111.2 | D126 L127 E128 G133 L134 | D126-M130 PolarHBondContact O-N 2.75Å; D126-M130 VanDerWaalsContact O-N 3.08Å; L127-M130 PolarHBondContact O-N 3.3Å; E128-M130 VanDerWaalsContact C-N 3.32Å; E128-M130 PolarHBondContact O-N 3.08Å; M130-G133 PolarHBondContact O-N 2.88Å; M130-L134 HydrophobicContact CG-CD1 4.42Å; M130-L134 WeakPolarHBondContact O-CG 3.31Å; M130-L134 PolarHBondContact O-N 3.25Å |
| 131 | Q | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -45.9 | 174.6 | -177.8 | 178.5 | 5.9 | 0 | 0 | 111.5 | L127 E128 G133 L134 V135 | L127-Q131 WeakPolarHBondContact O-CB 3.5Å; L127-Q131 PolarHBondContact O-N 3.5Å; E128-Q131 WeakPolarHBondContact O-CB 3.36Å; E128-Q131 PolarHBondContact O-N 3.4Å; Q131-G133 VanDerWaalsContact C-N 3.31Å; Q131-G133 PolarHBondContact O-N 2.92Å; Q131-L134 PolarHBondContact O-N 3.49Å; Q131-V135 HydrophobicContact CG-CG2 4.46Å; Q131-V135 VanDerWaalsContact O-CG2 3.31Å; Q131-V135 WeakPolarHBondContact O-CG2 3.44Å; Q131-V135 PolarHBondContact O-N 3.13Å |
| 132 | D | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 176.7 | -71.3 | -21.6 | 0 | 0 | 0 | 111.8 | E128 R129 V135 K136 | E128-D132 PolarHBondContact O-N 3.18Å; R129-D132 PolarHBondContact O-N 3.37Å; D132-V135 PolarHBondContact O-N 3.1Å; D132-K136 PolarHBondContact O-N 3.37Å |
| 133 | G | 98.5 | Very high | 98.3 | Very high | 30 Ų | 30 | 99.9 Ų | 99.9 | 31% | 0.309 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R129 M130 Q131 V135 K136 E137 | R129-G133 PolarHBondContact O-N 3.33Å; R129-G133 VanDerWaalsContact O-N 3.1Å; M130-G133 PolarHBondContact O-N 2.88Å; Q131-G133 VanDerWaalsContact C-N 3.31Å; Q131-G133 PolarHBondContact O-N 2.92Å; G133-V135 VanDerWaalsContact C-N 3.34Å; G133-V135 PolarHBondContact O-N 3.21Å; G133-K136 WeakPolarHBondContact O-CB 3.42Å; G133-K136 PolarHBondContact O-N 2.86Å; G133-E137 WeakPolarHBondContact O-CG 3.36Å; G133-E137 PolarHBondContact O-N 3.41Å |
| 134 | L | 98.6 | Very high | 98.2 | Very high | 103 Ų | 103 | 98 Ų | 98 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.3 | -72.9 | 172.3 | 0 | 0 | 0 | 112.5 | M130 Q131 K136 N138 | M130-L134 HydrophobicContact CG-CD1 4.42Å; M130-L134 WeakPolarHBondContact O-CG 3.31Å; M130-L134 PolarHBondContact O-N 3.25Å; Q131-L134 PolarHBondContact O-N 3.49Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-N138 WeakPolarHBondContact O-CB 3.45Å; L134-N138 PolarHBondContact O-N 2.91Å |
| 135 | V | 98.6 | Very high | 98 | Very high | 76 Ų | 76 | 96.3 Ų | 96.3 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.8 | 168.1 | 0 | 0 | 0 | 0 | 110.3 | Q131 D132 G133 N138 L139 | Q131-V135 HydrophobicContact CG-CG2 4.46Å; Q131-V135 VanDerWaalsContact O-CG2 3.31Å; Q131-V135 WeakPolarHBondContact O-CG2 3.44Å; Q131-V135 PolarHBondContact O-N 3.13Å; D132-V135 PolarHBondContact O-N 3.1Å; G133-V135 VanDerWaalsContact C-N 3.34Å; G133-V135 PolarHBondContact O-N 3.21Å; V135-N138 PolarHBondContact O-N 2.96Å; V135-L139 HydrophobicContact CG1-CD1 4.27Å; V135-L139 WeakPolarHBondContact O-CG 3.35Å; V135-L139 PolarHBondContact O-N 2.96Å |
| 136 | K | 98.6 | Very high | 97.8 | Very high | 136 Ų | 136 | 99.1 Ų | 99.1 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -50.8 | 176.7 | -174.2 | -177.2 | 176.5 | -175.1 | 0 | 111.8 | D132 G133 L134 N138 L139 D140 | D132-K136 PolarHBondContact O-N 3.37Å; G133-K136 WeakPolarHBondContact O-CB 3.42Å; G133-K136 PolarHBondContact O-N 2.86Å; L134-K136 VanDerWaalsContact C-N 3.34Å; K136-N138 PolarHBondContact O-N 3.24Å; K136-L139 WeakPolarHBondContact O-CB 3.49Å; K136-L139 PolarHBondContact O-N 2.89Å; K136-D140 VanDerWaalsContact O-CG 3.31Å; K136-D140 PolarHBondContact O-N 2.91Å |
| 137 | E | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.4 | -38.9 | 176.5 | -71.5 | 174.4 | -174.9 | 0 | 0 | 111.4 | G133 D140 L141 | G133-E137 WeakPolarHBondContact O-CG 3.36Å; G133-E137 PolarHBondContact O-N 3.41Å; E137-D140 PolarHBondContact O-N 3.04Å; E137-L141 WeakPolarHBondContact O-CB 3.4Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 3.27Å |
| 138 | N | 98.1 | Very high | 97.3 | Very high | 77 Ų | 77 | 98.7 Ų | 98.7 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 176.4 | -165.9 | -96.8 | 0 | 0 | 0 | 112.9 | L134 V135 K136 K142 | L134-N138 WeakPolarHBondContact O-CB 3.45Å; L134-N138 PolarHBondContact O-N 2.91Å; V135-N138 PolarHBondContact O-N 2.96Å; K136-N138 PolarHBondContact O-N 3.24Å; N138-K142 WeakPolarHBondContact O-CB 3.47Å; N138-K142 VanDerWaalsContact O-CG 3.28Å; N138-K142 WeakPolarHBondContact O-CG 3.28Å; N138-K142 PolarHBondContact O-N 3.43Å; N138-K142 WeakPolarHBondContact OD1-CE 3.5Å; N138-K142 PolarHBondContact OD1-NZ 3.19Å |
| 139 | L | 98.2 | Very high | 97 | Very high | 89 Ų | 89 | 98.1 Ų | 98.1 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.9 | -48.8 | 173.9 | -71.7 | 171.5 | 0 | 0 | 0 | 111 | V135 K136 L141 K142 E143 | V135-L139 HydrophobicContact CG1-CD1 4.27Å; V135-L139 WeakPolarHBondContact O-CG 3.35Å; V135-L139 PolarHBondContact O-N 2.96Å; K136-L139 WeakPolarHBondContact O-CB 3.49Å; K136-L139 PolarHBondContact O-N 2.89Å; L139-L141 VanDerWaalsContact C-N 3.26Å; L139-L141 PolarHBondContact O-N 3.47Å; L139-K142 WeakPolarHBondContact O-CB 3.45Å; L139-K142 PolarHBondContact O-N 3.06Å; L139-E143 WeakPolarHBondContact O-CG 3.22Å; L139-E143 PolarHBondContact O-N 3.3Å |
| 140 | D | 97.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 97 Ų | 97 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 177.7 | -63.4 | -13.7 | 0 | 0 | 0 | 110.8 | K136 E137 E143 L144 | K136-D140 VanDerWaalsContact O-CG 3.31Å; K136-D140 PolarHBondContact O-N 2.91Å; E137-D140 PolarHBondContact O-N 3.04Å; D140-E143 PolarHBondContact O-N 3.42Å; D140-L144 PolarHBondContact O-N 2.97Å |
| 141 | L | 97.9 | Very high | 95.6 | Very high | 105 Ų | 105 | 96.3 Ų | 96.3 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 174.8 | -75.2 | 171.8 | 0 | 0 | 0 | 112.9 | E137 L139 E143 L144 C145 | E137-L141 WeakPolarHBondContact O-CB 3.4Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 3.27Å; L139-L141 VanDerWaalsContact C-N 3.26Å; L139-L141 PolarHBondContact O-N 3.47Å; L141-E143 VanDerWaalsContact C-N 3.35Å; L141-L144 PolarHBondContact O-N 3.34Å; L141-C145 PolarHBondContact O-N 3.33Å; L141-C145 PolarHBondContact O-SG 3.01Å; L141-C145 VanDerWaalsContact O-SG 3.36Å |
| 142 | K | 97.1 | Very high | 94.5 | Very high | 118 Ų | 118 | 94.3 Ų | 94.3 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.8 | -79.7 | 166.1 | 173.6 | 158.1 | 0 | 111.5 | N138 L139 C145 L146 | N138-K142 WeakPolarHBondContact O-CB 3.47Å; N138-K142 VanDerWaalsContact O-CG 3.28Å; N138-K142 WeakPolarHBondContact O-CG 3.28Å; N138-K142 PolarHBondContact O-N 3.43Å; N138-K142 WeakPolarHBondContact OD1-CE 3.5Å; N138-K142 PolarHBondContact OD1-NZ 3.19Å; L139-K142 WeakPolarHBondContact O-CB 3.45Å; L139-K142 PolarHBondContact O-N 3.06Å; K142-C145 PolarHBondContact O-N 2.93Å; K142-L146 WeakPolarHBondContact O-CG 3.43Å; K142-L146 PolarHBondContact O-N 2.89Å |
| 143 | E | 96.6 | Very high | 93.1 | Very high | 122 Ų | 122 | 93.4 Ų | 93.4 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 175.3 | -71.2 | -179.7 | -175.8 | 0 | 0 | 111.3 | L139 D140 L141 C145 L146 V147 | L139-E143 WeakPolarHBondContact O-CG 3.22Å; L139-E143 PolarHBondContact O-N 3.3Å; D140-E143 PolarHBondContact O-N 3.42Å; L141-E143 VanDerWaalsContact C-N 3.35Å; E143-C145 VanDerWaalsContact C-N 3.34Å; E143-C145 PolarHBondContact O-N 3.04Å; E143-L146 PolarHBondContact O-N 3.47Å; E143-V147 WeakPolarHBondContact O-CG2 3.49Å; E143-V147 PolarHBondContact O-N 3.06Å |
| 144 | L | 95.9 | Very high | 91.3 | Very high | 98 Ų | 98 | 95.8 Ų | 95.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 175.8 | -177.2 | 64.3 | 0 | 0 | 0 | 112.1 | D140 L141 L146 V147 L148 | D140-L144 PolarHBondContact O-N 2.97Å; L141-L144 PolarHBondContact O-N 3.34Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 2.76Å; L144-V147 PolarHBondContact O-N 3.39Å; L144-L148 HydrophobicContact CD1-CG 4.5Å; L144-L148 HydrophobicContact CG-CD1 4.14Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.22Å |
| 145 | C | 94.8 | Very high | 89.5 | Confident | 53 Ų | 53 | 100 Ų | 100 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 175.4 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | L141 K142 E143 L148 E149 | L141-C145 PolarHBondContact O-N 3.33Å; L141-C145 PolarHBondContact O-SG 3.01Å; L141-C145 VanDerWaalsContact O-SG 3.36Å; K142-C145 PolarHBondContact O-N 2.93Å; E143-C145 VanDerWaalsContact C-N 3.34Å; E143-C145 PolarHBondContact O-N 3.04Å; C145-L148 PolarHBondContact O-N 3.43Å; C145-E149 WeakPolarHBondContact O-CG 3.1Å; C145-E149 PolarHBondContact O-N 3.05Å |
| 146 | L | 94.9 | Very high | 87.4 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.6 | -71.1 | 172.1 | 0 | 0 | 0 | 112.1 | K142 E143 L144 L148 E149 E150 | K142-L146 WeakPolarHBondContact O-CG 3.43Å; K142-L146 PolarHBondContact O-N 2.89Å; E143-L146 PolarHBondContact O-N 3.47Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 2.76Å; L146-L148 VanDerWaalsContact C-N 3.33Å; L146-L148 PolarHBondContact O-N 3.35Å; L146-E149 WeakPolarHBondContact O-CB 3.44Å; L146-E149 PolarHBondContact O-N 2.97Å; L146-E150 WeakPolarHBondContact O-CG 3.35Å; L146-E150 PolarHBondContact O-N 3.36Å |
| 147 | V | 93.6 | Very high | 85.2 | Confident | 69 Ų | 69 | 101 Ų | 101 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111 | E143 L144 E149 E150 E151 | E143-V147 WeakPolarHBondContact O-CG2 3.49Å; E143-V147 PolarHBondContact O-N 3.06Å; L144-V147 PolarHBondContact O-N 3.39Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.95Å; V147-E150 PolarHBondContact O-N 3.02Å; V147-E151 WeakPolarHBondContact O-CG 3.31Å; V147-E151 PolarHBondContact O-N 2.95Å |
| 148 | L | 93.4 | Very high | 83 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 177.4 | -70.5 | 172.2 | 0 | 0 | 0 | 112.5 | L144 C145 L146 C152 | L144-L148 HydrophobicContact CD1-CG 4.5Å; L144-L148 HydrophobicContact CG-CD1 4.14Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.22Å; C145-L148 PolarHBondContact O-N 3.43Å; L146-L148 VanDerWaalsContact C-N 3.33Å; L146-L148 PolarHBondContact O-N 3.35Å; L148-C152 WeakPolarHBondContact O-CB 3.39Å; L148-C152 PolarHBondContact O-N 2.74Å; L148-C152 VanDerWaalsContact O-N 3.07Å; L148-C152 PolarHBondContact O-SG 2.97Å |
| 149 | E | 91.4 | Very high | 80.4 | Confident | 87 Ų | 87 | 100 Ų | 100 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 172.9 | -75 | 174.3 | -173.7 | 0 | 0 | 111.5 | C145 L146 V147 E151 C152 V153 | C145-E149 WeakPolarHBondContact O-CG 3.1Å; C145-E149 PolarHBondContact O-N 3.05Å; L146-E149 WeakPolarHBondContact O-CB 3.44Å; L146-E149 PolarHBondContact O-N 2.97Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.95Å; E149-E151 PolarHBondContact O-N 3.11Å; E149-C152 PolarHBondContact O-N 3.47Å; E149-V153 WeakPolarHBondContact O-CG2 3.29Å; E149-V153 PolarHBondContact O-N 3.35Å |
| 150 | E | 88.3 | Confident | 77.9 | Confident | 128 Ų | 128 | 102.1 Ų | 102.1 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.8 | -42.3 | 176.7 | -72.1 | 177.2 | -177.3 | 0 | 0 | 112.6 | L146 V147 S154 | L146-E150 WeakPolarHBondContact O-CG 3.35Å; L146-E150 PolarHBondContact O-N 3.36Å; V147-E150 PolarHBondContact O-N 3.02Å; E150-S154 VanDerWaalsContact O-CB 3.31Å; E150-S154 WeakPolarHBondContact O-CB 3.47Å; E150-S154 PolarHBondContact O-N 3.46Å; E150-S154 PolarHBondContact O-OG 3Å |
| 151 | E | 80.1 | Confident | 75.3 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -36.3 | 176.1 | -73.7 | -175.2 | 172.1 | 0 | 0 | 112.5 | V147 E149 R155 | V147-E151 WeakPolarHBondContact O-CG 3.31Å; V147-E151 PolarHBondContact O-N 2.95Å; E149-E151 PolarHBondContact O-N 3.11Å; E151-R155 VanDerWaalsContact O-CG 3.32Å; E151-R155 WeakPolarHBondContact O-CG 3.49Å; E151-R155 PolarHBondContact O-N 2.88Å; E151-R155 VanDerWaalsContact O-N 3.14Å |
| 152 | C | 75.1 | Confident | 72.5 | Confident | 79 Ų | 79 | 100 Ų | 100 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.7 | -44.7 | 176.6 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | L148 E149 R155 S156 | L148-C152 WeakPolarHBondContact O-CB 3.39Å; L148-C152 PolarHBondContact O-N 2.74Å; L148-C152 VanDerWaalsContact O-N 3.07Å; L148-C152 PolarHBondContact O-SG 2.97Å; E149-C152 PolarHBondContact O-N 3.47Å; C152-R155 PolarHBondContact O-N 3.25Å; C152-S156 PolarHBondContact O-N 3.14Å; C152-S156 PolarHBondContact O-OG 3.2Å |
| 153 | V | 69.9 | Low | 70 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 56% | 0.558 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -42.7 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | E149 R155 S156 D157 | E149-V153 WeakPolarHBondContact O-CG2 3.29Å; E149-V153 PolarHBondContact O-N 3.35Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 3.48Å; V153-S156 WeakPolarHBondContact O-CB 3.32Å; V153-S156 PolarHBondContact O-N 2.98Å; V153-S156 VanDerWaalsContact O-N 3.15Å; V153-D157 PolarHBondContact O-N 3.29Å |
| 154 | S | 61.3 | Low | 67.5 | Low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.4 | -32 | 178.9 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | E150 | E150-S154 VanDerWaalsContact O-CB 3.31Å; E150-S154 WeakPolarHBondContact O-CB 3.47Å; E150-S154 PolarHBondContact O-N 3.46Å; E150-S154 PolarHBondContact O-OG 3Å |
| 155 | R | 59 | Low | 65 | Low | 192 Ų | 192 | 103.6 Ų | 103.6 | 73% | 0.725 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.7 | -30.3 | 174.4 | -72.3 | 178.2 | 75.7 | -139.6 | 1.6 | 112.5 | E151 C152 V153 S158 | E151-R155 VanDerWaalsContact O-CG 3.32Å; E151-R155 WeakPolarHBondContact O-CG 3.49Å; E151-R155 PolarHBondContact O-N 2.88Å; E151-R155 VanDerWaalsContact O-N 3.14Å; C152-R155 PolarHBondContact O-N 3.25Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 3.48Å; R155-S158 PolarHBondContact O-OG 3.16Å |
| 156 | S | 55.9 | Low | 62.7 | Low | 90 Ų | 90 | 108.4 Ų | 108.4 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.8 | -32 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 113.4 | C152 V153 S158 | C152-S156 PolarHBondContact O-N 3.14Å; C152-S156 PolarHBondContact O-OG 3.2Å; V153-S156 WeakPolarHBondContact O-CB 3.32Å; V153-S156 PolarHBondContact O-N 2.98Å; V153-S156 VanDerWaalsContact O-N 3.15Å; S156-S158 PolarHBondContact O-N 3.07Å |
| 157 | D | 52.6 | Low | 60.3 | Low | 142 Ų | 142 | 111.3 Ų | 111.3 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -6.3 | -179.2 | -78.3 | -12.8 | 0 | 0 | 0 | 114.7 | V153 | V153-D157 PolarHBondContact O-N 3.29Š|
| 158 | S | 50.5 | Low | 58 | Low | 87 Ų | 87 | 115 Ų | 115 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 4.4 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | R155 S156 | R155-S158 PolarHBondContact O-OG 3.16Å; S156-S158 PolarHBondContact O-N 3.07Å |
| 159 | S | 44.2 | Very low | 55.6 | Low | 88 Ų | 88 | 115.6 Ų | 115.6 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -115.8 | 109.1 | 176.6 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | G161 | S159-G161 PolarHBondContact O-N 3.18Š| ||
| 160 | P | 46.6 | Very low | 53.5 | Low | 135 Ų | 135 | 115.9 Ų | 115.9 | 88% | 0.877 | 69% | 0.692 | S | S | * | * | trans | -81.7 | 100.8 | 161.4 | 31.1 | -25.5 | 0 | 0 | 0 | 108.7 | ||||
| 161 | G | 43 | Very low | 51.7 | Low | 74 Ų | 74 | 116.1 Ų | 116.1 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | trans | 119.8 | 131 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S159 | S159-G161 PolarHBondContact O-N 3.18Š| ||
| 162 | G | 37.9 | Very low | 50.3 | Low | 68 Ų | 68 | 116.9 Ų | 116.9 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | 105.1 | 78.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 163 | S | 45.1 | Very low | 49 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | 61.4 | 143.2 | 128.7 | -49.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 164 | T | 43.3 | Very low | 48.5 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | 87.4 | 102.2 | 148.6 | 27.3 | 0 | 0 | 0 | 0 | 119.3 | L166 | T164-L166 PolarHBondContact O-N 3.25Š| ||
| 165 | E | 45.2 | Very low | 47.9 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | S | Bend | 73.6 | 31.6 | 125.8 | -62.1 | -84.6 | 144.3 | 0 | 0 | 118.8 | |||
| 166 | L | 46.6 | Very low | 47.7 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -135.6 | 61 | 158 | -66.2 | 174.8 | 0 | 0 | 0 | 110.2 | T164 L168 | T164-L166 PolarHBondContact O-N 3.25Å; L166-L168 PolarHBondContact O-N 3.18Å | ||
| 167 | N | 44.1 | Very low | 47.7 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 79.9 | 163.4 | -160.7 | 20.3 | 0 | 0 | 0 | 107.3 | P169 | N167-P169 WeakPolarHBondContact O-CD 3.18Š| ||
| 168 | L | 44.4 | Very low | 48.3 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -69.5 | 112.5 | 169.7 | -128.3 | 74.4 | 0 | 0 | 0 | 106.3 | L166 C170 | L166-L168 PolarHBondContact O-N 3.18Å; L168-C170 VanDerWaalsContact C-N 3.3Å; L168-C170 PolarHBondContact O-N 3.26Å | ||
| 169 | P | 43 | Very low | 48.1 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | -71.7 | 98.9 | 169.2 | -2 | 20.9 | 0 | 0 | 0 | 105.5 | N167 M171 | N167-P169 WeakPolarHBondContact O-CD 3.18Å; P169-M171 PolarHBondContact O-N 3.15Å; P169-M171 VanDerWaalsContact O-N 3.16Å | ||
| 170 | C | 47.5 | Very low | 48.8 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 120.8 | 158.9 | -161.2 | 0 | 0 | 0 | 0 | 106.1 | L168 | L168-C170 VanDerWaalsContact C-N 3.3Å; L168-C170 PolarHBondContact O-N 3.26Å |
| 171 | M | 51.4 | Low | 49.3 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.2 | 14.7 | 165.7 | -54.2 | -69.2 | 160.1 | 0 | 0 | 122.2 | P169 | P169-M171 PolarHBondContact O-N 3.15Å; P169-M171 VanDerWaalsContact O-N 3.16Å |
| 172 | V | 49.7 | Very low | 49.7 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | -138.5 | 82.1 | 171.3 | -163.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 173 | A | 48.1 | Very low | 50.4 | Low | 100 Ų | 100 | 131.4 Ų | 131.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -145.6 | 78.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | D175 | A173-D175 PolarHBondContact O-N 3.35Š| ||
| 174 | R | 58.7 | Low | 50.7 | Low | 232 Ų | 232 | 129.5 Ų | 129.5 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 103.3 | 165.6 | -78.7 | -175.1 | 174 | 120.5 | -0 | 107.4 | L176 | R174-L176 PolarHBondContact O-N 3.17Š| ||
| 175 | D | 49.1 | Very low | 51 | Low | 154 Ų | 154 | 128.7 Ų | 128.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -70.9 | 104.5 | 164.9 | -172 | 21.8 | 0 | 0 | 0 | 108.3 | A173 G177 | A173-D175 PolarHBondContact O-N 3.35Å; D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 PolarHBondContact O-N 3.17Å | ||
| 176 | L | 54.9 | Low | 51.2 | Low | 161 Ų | 161 | 126.8 Ų | 126.8 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 76.8 | 172.2 | -69.7 | 172.4 | 0 | 0 | 0 | 107.9 | R174 | R174-L176 PolarHBondContact O-N 3.17Š| ||
| 177 | G | 56.5 | Low | 51.1 | Low | 60 Ų | 60 | 122.8 Ų | 122.8 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | trans | -81.6 | 109.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | D175 G179 | D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 PolarHBondContact O-N 3.17Å; G177-G179 VanDerWaalsContact C-N 3.33Å; G177-G179 PolarHBondContact O-N 3.38Å; G177-G179 VanDerWaalsContact O-N 3.11Å | ||
| 178 | D | 64.3 | Low | 51.5 | Low | 149 Ų | 149 | 121 Ų | 121 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 76 | 171.4 | 66.6 | -22.2 | 0 | 0 | 0 | 111 | S180 | D178-S180 PolarHBondContact O-N 3.28Š| ||
| 179 | G | 47.5 | Very low | 52.3 | Low | 82 Ų | 82 | 119 Ų | 119 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -70.9 | 84.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G177 | G177-G179 VanDerWaalsContact C-N 3.33Å; G177-G179 PolarHBondContact O-N 3.38Å; G177-G179 VanDerWaalsContact O-N 3.11Å | ||
| 180 | S | 58.7 | Low | 52.4 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -76.7 | 130.7 | 161.6 | -69.9 | 0 | 0 | 0 | 0 | 110.5 | D178 | D178-S180 PolarHBondContact O-N 3.28Š| ||
| 181 | S | 55.7 | Low | 52.3 | Low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -158.5 | 120.7 | 149.5 | -84.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 182 | S | 51.6 | Low | 52 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -42.9 | 138.6 | 168.2 | -47.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 183 | T | 52.2 | Low | 51.7 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -114.1 | 105.8 | 145.3 | 59.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 184 | G | 52 | Low | 51.6 | Low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 140.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 185 | S | 50.5 | Low | 50.8 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -162 | 117 | 154.8 | -142.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 186 | V | 48.1 | Very low | 50.3 | Low | 134 Ų | 134 | 124 Ų | 124 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | 58.7 | 112.6 | 147.6 | -56.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 187 | G | 46.2 | Very low | 50.3 | Low | 71 Ų | 71 | 121.2 Ų | 121.2 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 148.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 188 | S | 51.2 | Low | 50.8 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -162.7 | 150.9 | 132.6 | -94.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 189 | P | 62.5 | Low | 50.5 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -91.5 | 160.3 | -171 | 38.6 | -33.4 | 0 | 0 | 0 | 112.2 | ||||
| 190 | D | 43.3 | Very low | 50.6 | Low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | 158.9 | 102.8 | 128.6 | -84.4 | -16.4 | 0 | 0 | 0 | 110.7 | L192 | D190-L192 PolarHBondContact O-N 2.91Š| |||
| 191 | Q | 46.8 | Very low | 50.2 | Low | 190 Ų | 190 | 133.6 Ų | 133.6 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -83.7 | 99.3 | 156.2 | -80 | 177.8 | 15.7 | 0 | 0 | 107.5 | H193 | Q191-H193 PolarHBondContact O-N 3.3Š| ||
| 192 | L | 43.6 | Very low | 49.9 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -80.3 | 100.8 | 161.8 | -68.5 | 178 | 0 | 0 | 0 | 108.5 | D190 L194 | D190-L192 PolarHBondContact O-N 2.91Å; L192-L194 PolarHBondContact O-N 3.48Å | ||
| 193 | H | 45 | Very low | 49.8 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -64.7 | 106.4 | 161 | -117.1 | -164.8 | 0 | 0 | 0 | 108.1 | Q191 V195 | Q191-H193 PolarHBondContact O-N 3.3Å; H193-V195 PolarHBondContact O-N 2.92Å; H193-V195 VanDerWaalsContact O-N 3.13Å | ||
| 194 | L | 45.1 | Very low | 49.7 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -77.5 | 91.8 | 171.3 | -148.6 | 85.4 | 0 | 0 | 0 | 108.3 | L192 C196 | L192-L194 PolarHBondContact O-N 3.48Å; L194-C196 PolarHBondContact O-N 3.44Å | ||
| 195 | V | 42.8 | Very low | 49.6 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -82 | 104.6 | 163 | 173.4 | 0 | 0 | 0 | 0 | 107 | H193 | H193-V195 PolarHBondContact O-N 2.92Å; H193-V195 VanDerWaalsContact O-N 3.13Å | ||
| 196 | C | 38.7 | Very low | 49.5 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -108.8 | 104.1 | 162 | -106.8 | 0 | 0 | 0 | 0 | 107.6 | L194 | L194-C196 PolarHBondContact O-N 3.44Š| ||
| 197 | S | 55 | Low | 49.6 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -98.9 | 137 | 155.4 | -68 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 198 | P | 65.4 | Low | 49.9 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | -93.2 | 128.7 | 166.3 | 32.3 | -24.2 | 0 | 0 | 0 | 110.3 | ||||
| 199 | D | 58.1 | Low | 49.8 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -106 | 108.8 | 152.3 | -82.2 | -47.7 | 0 | 0 | 0 | 106.7 | ||||
| 200 | D | 50.8 | Low | 48.6 | Very low | 242 Ų | 242 | 152 Ų | 152 | 100% | 1.294 | 84% | 0.837 | S | S | * | * | trans | 170.5 | 0 | 138 | -97.8 | -41.4 | 0 | 0 | 0 | 109.7 |
Retrieved 200 of 200 residues in 380.7 ms
(Link to these results)