| 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 | 37.5 | Very low | 31.9 | Very low | 242 Ų | 242 | 153.5 Ų | 153.5 | 100% | 1.192 | 82% | 0.816 | S | S | * | * | 0 | 129.5 | 0 | -87.2 | -164 | 151 | 0 | 0 | 108.4 | |||||
| 2 | Q | 31.6 | Very low | 31.7 | Very low | 193 Ų | 193 | 153.8 Ų | 153.8 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | 129 | 134.4 | 176.8 | -82.3 | 179.2 | 5.6 | 0 | 0 | 107.7 | ||||
| 3 | S | 33.8 | Very low | 31.2 | Very low | 97 Ų | 97 | 153.4 Ų | 153.4 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | cis | -172.1 | 143 | -25.9 | 39.6 | 0 | 0 | 0 | 0 | 104.6 | Q5 | S3-Q5 PolarHBondContact O-N 3.38Š| ||
| 4 | K | 34.8 | Very low | 31.2 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -49 | 117 | 173.8 | -68.9 | 170.9 | 172.6 | 176.8 | 0 | 110.9 | ||||
| 5 | Q | 30.4 | Very low | 30.8 | Very low | 178 Ų | 178 | 156.1 Ų | 156.1 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -99.4 | 108.5 | 155.3 | -80.9 | -175.8 | -17.1 | 0 | 0 | 107.6 | S3 | S3-Q5 PolarHBondContact O-N 3.38Š| ||
| 6 | T | 30.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -93 | 106.6 | 169.9 | -38.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 7 | E | 29.3 | Very low | 31 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -113 | 156.2 | 173.7 | -94.9 | -161 | 175.1 | 0 | 0 | 111 | ||||
| 8 | P | 33.5 | Very low | 31 | Very low | 90 Ų | 90 | 149.8 Ų | 149.8 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | -87.1 | 144.1 | -122.7 | 31 | -35.1 | 0 | 0 | 0 | 113.8 | H10 | P8-H10 PolarHBondContact O-N 3.36Š| |||
| 9 | S | 32.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -61.9 | 96.4 | 163.2 | 39.3 | 0 | 0 | 0 | 0 | 109.4 | S11 | S9-S11 VanDerWaalsContact C-N 3.26Å; S9-S11 PolarHBondContact O-N 3.08Å | ||
| 10 | H | 29.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 150 Ų | 150 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -58.4 | 92.4 | 165.5 | -76.3 | -71.6 | 0 | 0 | 0 | 109.2 | P8 L12 | P8-H10 PolarHBondContact O-N 3.36Å; H10-L12 PolarHBondContact O-N 2.87Å | ||
| 11 | S | 27.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -81.2 | 85.7 | 168.7 | 45.5 | 0 | 0 | 0 | 0 | 107.4 | S9 I13 | S9-S11 VanDerWaalsContact C-N 3.26Å; S9-S11 PolarHBondContact O-N 3.08Å; S11-I13 PolarHBondContact O-N 3.47Å | ||
| 12 | L | 29.4 | Very low | 31.9 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -80.4 | 116.5 | 174.7 | -113.1 | 147.5 | 0 | 0 | 0 | 109.6 | H10 I14 | H10-L12 PolarHBondContact O-N 2.87Å; L12-I14 PolarHBondContact O-N 2.88Å | ||
| 13 | I | 25.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -61.3 | 116.1 | -176.2 | -62.6 | 166.2 | 0 | 0 | 0 | 109.6 | S11 K15 | S11-I13 PolarHBondContact O-N 3.47Å; I13-K15 PolarHBondContact O-N 2.93Å | ||
| 14 | I | 30.6 | Very low | 32.2 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -79.5 | 102.8 | 170.1 | -57.8 | 176 | 0 | 0 | 0 | 107.3 | L12 V16 | L12-I14 PolarHBondContact O-N 2.88Å; I14-V16 PolarHBondContact O-N 2.89Å | ||
| 15 | K | 25.6 | Very low | 32.3 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -68 | 108.5 | 165.9 | -87.1 | -177.6 | 175.1 | 178.2 | 0 | 108.5 | I13 | I13-K15 PolarHBondContact O-N 2.93Š| ||
| 16 | V | 31.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.4 | 169.5 | -178 | 0 | 0 | 0 | 0 | 107.8 | I14 T18 | I14-V16 PolarHBondContact O-N 2.89Å; V16-T18 PolarHBondContact O-N 3.09Å |
| 17 | P | 32.8 | Very low | 33 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122 | 179.4 | -16.4 | 28.8 | 0 | 0 | 0 | 110.3 | ||
| 18 | T | 32.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.4 | 168.8 | 30.9 | 0 | 0 | 0 | 0 | 109.5 | V16 N20 | V16-T18 PolarHBondContact O-N 3.09Å; T18-N20 PolarHBondContact O-N 3.11Å |
| 19 | I | 37.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 1.3 | -162.5 | -68 | 164.1 | 0 | 0 | 0 | 116.5 | ||
| 20 | N | 36 | Very low | 33.8 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 7.4 | -166.3 | -70 | -4.9 | 0 | 0 | 0 | 116.7 | T18 | T18-N20 PolarHBondContact O-N 3.11Š|
| 21 | N | 36.1 | Very low | 34.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | trans | -125.1 | 90 | 171.3 | -88.1 | -12.4 | 0 | 0 | 0 | 111.5 | N23 | N21-N23 PolarHBondContact O-N 3.06Å; N21-N23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | L | 39.6 | Very low | 34.6 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -2.1 | 176.8 | -81.4 | 155.9 | 0 | 0 | 0 | 114.7 | ||
| 23 | N | 38.2 | Very low | 35.3 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -13.7 | -179.7 | -78.9 | -10.5 | 0 | 0 | 0 | 114.3 | N21 K25 | N21-N23 PolarHBondContact O-N 3.06Å; N21-N23 VanDerWaalsContact O-N 3.16Å; N23-K25 PolarHBondContact O-N 3.39Å; N23-K25 VanDerWaalsContact O-N 3.15Å |
| 24 | D | 34.1 | Very low | 35.9 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -82.4 | 97.4 | 169.7 | -69.9 | -26 | 0 | 0 | 0 | 107.1 | S26 | D24-S26 PolarHBondContact O-N 3.13Š|
| 25 | K | 36.5 | Very low | 36.4 | Very low | 193 Ų | 193 | 126.1 Ų | 126.1 | 84% | 0.839 | 68% | 0.675 | S | S | * | * | trans | -60.7 | 90 | 167.4 | -70 | -178.5 | -178.3 | 176.8 | 0 | 107.2 | N23 C27 | N23-K25 PolarHBondContact O-N 3.39Å; N23-K25 VanDerWaalsContact O-N 3.15Å; K25-C27 PolarHBondContact O-N 3.28Å; K25-C27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | S | 38.3 | Very low | 37.2 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | trans | -53.4 | 122.2 | 175.2 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | D24 D28 | D24-S26 PolarHBondContact O-N 3.13Å; S26-D28 PolarHBondContact O-N 3.36Å | ||
| 27 | C | 38.3 | Very low | 37.7 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 58% | 0.581 | 64% | 0.642 | S | S | * | * | trans | -56.4 | 109.8 | 168.7 | -61.2 | 0 | 0 | 0 | 0 | 107 | K25 I29 | K25-C27 PolarHBondContact O-N 3.28Å; K25-C27 VanDerWaalsContact O-N 3.16Å; C27-I29 HydrophobicContact CB-CG1 4.18Å; C27-I29 PolarHBondContact O-N 3.48Å | ||
| 28 | D | 36.6 | Very low | 38.3 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | trans | -64 | 84.8 | 169.1 | -95.7 | -23 | 0 | 0 | 0 | 107.5 | S26 S30 | S26-D28 PolarHBondContact O-N 3.36Å; D28-S30 PolarHBondContact O-N 3.47Å | ||
| 29 | I | 36.3 | Very low | 39.1 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | trans | -79.1 | 71.6 | 168.3 | -49.6 | 175.8 | 0 | 0 | 0 | 106 | C27 | C27-I29 HydrophobicContact CB-CG1 4.18Å; C27-I29 PolarHBondContact O-N 3.48Å | ||
| 30 | S | 38.4 | Very low | 39.7 | Very low | 58 Ų | 58 | 117.9 Ų | 117.9 | 41% | 0.406 | 62% | 0.624 | S | S | . | * | trans | -53.3 | 137.7 | 161.3 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | D28 R32 S33 | D28-S30 PolarHBondContact O-N 3.47Å; S30-R32 PolarHBondContact O-N 3.22Å; S30-R32 PolarHBondContact OG-N 3.13Å; S30-S33 PolarHBondContact O-N 2.88Å; S30-S33 PolarHBondContact O-OG 2.94Å | ||
| 31 | P | 36.1 | Very low | 40.5 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -17.4 | 173.6 | -24.6 | 32 | 0 | 0 | 0 | 113.6 | ||
| 32 | R | 37.8 | Very low | 41.3 | Very low | 215 Ų | 215 | 117 Ų | 117 | 81% | 0.811 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -25.3 | 172.7 | -94.7 | 178.7 | 162.3 | 155.4 | -4.1 | 114.9 | S30 | S30-R32 PolarHBondContact O-N 3.22Å; S30-R32 PolarHBondContact OG-N 3.13Å |
| 33 | S | 43.3 | Very low | 42 | Very low | 15 Ų | 15 | 111.8 Ų | 111.8 | 11% | 0.105 | 58% | 0.576 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -26.7 | -178.4 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | S30 N35 L36 | S30-S33 PolarHBondContact O-N 2.88Å; S30-S33 PolarHBondContact O-OG 2.94Å; S33-N35 PolarHBondContact O-N 3.32Å; S33-N35 VanDerWaalsContact O-N 3.1Å; S33-L36 PolarHBondContact O-N 3.36Å; S33-L36 VanDerWaalsContact O-N 3.11Å |
| 34 | N | 38.8 | Very low | 42.6 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.5 | -25.4 | 177.7 | -79.3 | -6.1 | 0 | 0 | 0 | 113.8 | ||
| 35 | N | 41.8 | Very low | 43.7 | Very low | 125 Ų | 125 | 111 Ų | 111 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -8.9 | -178.7 | -71.8 | -27.9 | 0 | 0 | 0 | 114.2 | S33 | S33-N35 PolarHBondContact O-N 3.32Å; S33-N35 VanDerWaalsContact O-N 3.1Å |
| 36 | L | 42.5 | Very low | 44.6 | Very low | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10.8 | -175.9 | -75.2 | 164.6 | 0 | 0 | 0 | 113.3 | S33 N38 S42 | S33-L36 PolarHBondContact O-N 3.36Å; S33-L36 VanDerWaalsContact O-N 3.11Å; L36-N38 PolarHBondContact O-N 2.9Å; L36-S42 WeakPolarHBondContact O-CB 3.42Å; L36-S42 PolarHBondContact O-OG 3.22Å |
| 37 | I | 41 | Very low | 45.1 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | trans | -104.8 | 60.3 | -176.3 | -46.9 | 174.3 | 0 | 0 | 0 | 109.1 | F43 | I37-F43 HydrophobicContact CD1-CD2 4.28Å; I37-F43 HydrophobicContact CG2-CB 3.76Å; I37-F43 HydrophobicContact CG2-CD2 3.56Å; I37-F43 HydrophobicContact CG2-CG 4.07Å | ||
| 38 | N | 45.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 105 Ų | 105 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -103.5 | -0.8 | 177.6 | -77.7 | -11.5 | 0 | 0 | 0 | 113.5 | L36 | L36-N38 PolarHBondContact O-N 2.9Š|
| 39 | T | 48 | Very low | 46.6 | Very low | 86 Ų | 86 | 107.4 Ų | 107.4 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -140.7 | 147.8 | 175.6 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | R41 S42 F43 | T39-R41 PolarHBondContact O-N 3.22Å; T39-S42 PolarHBondContact N-OG 2.98Å; T39-S42 PolarHBondContact O-N 3.39Å; T39-S42 PolarHBondContact O-OG 3.47Å; T39-S42 WeakPolarHBondContact OG1-CB 3.42Å; T39-S42 PolarHBondContact OG1-N 3.02Å; T39-S42 PolarHBondContact OG1-OG 3.07Å; T39-F43 PolarHBondContact O-N 2.85Å; T39-F43 VanDerWaalsContact O-N 3.13Å |
| 40 | Q | 51.2 | Low | 47.2 | Very low | 164 Ų | 164 | 107.4 Ų | 107.4 | 77% | 0.766 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.5 | -36.2 | 179 | -166.7 | 154.7 | -8.5 | 0 | 0 | 112.1 | S42 F43 E44 | Q40-S42 PolarHBondContact O-N 3.22Å; Q40-F43 PolarHBondContact O-N 2.95Å; Q40-E44 PolarHBondContact O-N 2.84Å; Q40-E44 VanDerWaalsContact O-N 3.12Å |
| 41 | R | 52.3 | Low | 47.4 | Very low | 213 Ų | 213 | 112.1 Ų | 112.1 | 80% | 0.804 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.5 | -36 | 173.7 | -122.5 | -179.4 | -173.5 | -178.2 | 2.3 | 113.7 | T39 F45 | T39-R41 PolarHBondContact O-N 3.22Å; R41-F45 PolarHBondContact O-N 2.94Å |
| 42 | S | 52.6 | Low | 47.8 | Very low | 36 Ų | 36 | 109.4 Ų | 109.4 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.7 | -25 | 179.5 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | L36 T39 Q40 Y46 | L36-S42 WeakPolarHBondContact O-CB 3.42Å; L36-S42 PolarHBondContact O-OG 3.22Å; T39-S42 PolarHBondContact N-OG 2.98Å; T39-S42 PolarHBondContact O-N 3.39Å; T39-S42 PolarHBondContact O-OG 3.47Å; T39-S42 WeakPolarHBondContact OG1-CB 3.42Å; T39-S42 PolarHBondContact OG1-N 3.02Å; T39-S42 PolarHBondContact OG1-OG 3.07Å; Q40-S42 PolarHBondContact O-N 3.22Å; S42-Y46 WeakPolarHBondContact O-CB 3.48Å; S42-Y46 PolarHBondContact O-N 2.95Å; S42-Y46 VanDerWaalsContact O-N 3.11Å |
| 43 | F | 54.7 | Low | 47.8 | Very low | 62 Ų | 62 | 105.8 Ų | 105.8 | 27% | 0.272 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -49 | 168.7 | -173.3 | -112.2 | 0 | 0 | 0 | 111.9 | I37 T39 Q40 F45 Y46 C47 C54 | I37-F43 HydrophobicContact CD1-CD2 4.28Å; I37-F43 HydrophobicContact CG2-CB 3.76Å; I37-F43 HydrophobicContact CG2-CD2 3.56Å; I37-F43 HydrophobicContact CG2-CG 4.07Å; T39-F43 PolarHBondContact O-N 2.85Å; T39-F43 VanDerWaalsContact O-N 3.13Å; Q40-F43 PolarHBondContact O-N 2.95Å; F43-F45 VanDerWaalsContact C-N 3.27Å; F43-F45 PolarHBondContact O-N 3.44Å; F43-Y46 PolarHBondContact O-N 3.4Å; F43-Y46 VanDerWaalsContact O-N 3.1Å; F43-C47 PolarHBondContact O-N 3.07Å; F43-C47 PolarHBondContact O-SG 3.46Å; F43-C54 HydrophobicContact CZ-CB 4.3Å |
| 44 | E | 51 | Low | 47.9 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.1 | -43.1 | 175.4 | -77.2 | 177.5 | 171.2 | 0 | 0 | 111.7 | Q40 Y46 C47 Q48 | Q40-E44 PolarHBondContact O-N 2.84Å; Q40-E44 VanDerWaalsContact O-N 3.12Å; E44-Y46 PolarHBondContact O-N 2.69Å; E44-C47 PolarHBondContact O-N 3.33Å; E44-Q48 WeakPolarHBondContact O-CB 3.24Å; E44-Q48 WeakPolarHBondContact O-CG 3.41Å; E44-Q48 PolarHBondContact O-N 2.88Å |
| 45 | F | 55.8 | Low | 47.8 | Very low | 145 Ų | 145 | 107 Ų | 107 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.6 | -36.6 | 177.9 | -142.9 | -82 | 0 | 0 | 0 | 112.9 | R41 F43 R49 | R41-F45 PolarHBondContact O-N 2.94Å; F43-F45 VanDerWaalsContact C-N 3.27Å; F43-F45 PolarHBondContact O-N 3.44Å; F45-R49 WeakPolarHBondContact O-CB 3.4Å; F45-R49 PolarHBondContact O-N 3.48Å |
| 46 | Y | 55.1 | Low | 47.6 | Very low | 71 Ų | 71 | 109.1 Ų | 109.1 | 28% | 0.278 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69 | -43.1 | 176.8 | -169.7 | -91.4 | 0 | 0 | 0 | 111.4 | S42 F43 E44 Q48 R49 F50 | S42-Y46 WeakPolarHBondContact O-CB 3.48Å; S42-Y46 PolarHBondContact O-N 2.95Å; S42-Y46 VanDerWaalsContact O-N 3.11Å; F43-Y46 PolarHBondContact O-N 3.4Å; F43-Y46 VanDerWaalsContact O-N 3.1Å; E44-Y46 PolarHBondContact O-N 2.69Å; Y46-Q48 VanDerWaalsContact C-N 3.35Å; Y46-Q48 PolarHBondContact O-N 2.92Å; Y46-R49 PolarHBondContact O-N 3.24Å; Y46-F50 HydrophobicContact CD2-CD2 4.33Å; Y46-F50 HydrophobicContact CD2-CE2 4.26Å; Y46-F50 HydrophobicContact CE1-CD2 4.26Å; Y46-F50 HydrophobicContact CE2-CD2 4.05Å; Y46-F50 AromaticContact CE2-CE2 3.82Å; Y46-F50 HydrophobicContact CE2-CE2 3.82Å; Y46-F50 PolarHBondContact O-N 2.94Å |
| 47 | C | 50.8 | Low | 47.1 | Very low | 31 Ų | 31 | 109.5 Ų | 109.5 | 21% | 0.209 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -66.4 | -32.1 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 113 | F43 E44 F50 | F43-C47 PolarHBondContact O-N 3.07Å; F43-C47 PolarHBondContact O-SG 3.46Å; E44-C47 PolarHBondContact O-N 3.33Å; C47-F50 CarbonylContact O-C 3.47Å |
| 48 | Q | 53 | Low | 46.9 | Very low | 140 Ų | 140 | 111.8 Ų | 111.8 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.1 | -37.2 | 172 | -79.3 | -177.8 | -3 | 0 | 0 | 112.8 | E44 Y46 | E44-Q48 WeakPolarHBondContact O-CB 3.24Å; E44-Q48 WeakPolarHBondContact O-CG 3.41Å; E44-Q48 PolarHBondContact O-N 2.88Å; Y46-Q48 VanDerWaalsContact C-N 3.35Å; Y46-Q48 PolarHBondContact O-N 2.92Å |
| 49 | R | 52.1 | Low | 46.1 | Very low | 190 Ų | 190 | 115 Ų | 115 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.7 | -33.6 | -175.7 | -169.1 | 175.4 | -173.3 | -176.4 | 2.6 | 112.7 | F45 Y46 | F45-R49 WeakPolarHBondContact O-CB 3.4Å; F45-R49 PolarHBondContact O-N 3.48Å; Y46-R49 PolarHBondContact O-N 3.24Å |
| 50 | F | 48.7 | Very low | 45.5 | Very low | 102 Ų | 102 | 114.2 Ų | 114.2 | 45% | 0.447 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120 | 95.8 | 173.8 | -57 | -81.2 | 0 | 0 | 0 | 105.4 | Y46 C47 T52 | Y46-F50 HydrophobicContact CD2-CD2 4.33Å; Y46-F50 HydrophobicContact CD2-CE2 4.26Å; Y46-F50 HydrophobicContact CE1-CD2 4.26Å; Y46-F50 HydrophobicContact CE2-CD2 4.05Å; Y46-F50 AromaticContact CE2-CE2 3.82Å; Y46-F50 HydrophobicContact CE2-CE2 3.82Å; Y46-F50 PolarHBondContact O-N 2.94Å; C47-F50 CarbonylContact O-C 3.47Å; F50-T52 PolarHBondContact O-N 2.89Å; F50-T52 PolarHBondContact O-OG1 3.36Å |
| 51 | N | 42.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 116 Ų | 116 | 84% | 0.84 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 70.3 | 178.7 | -83.4 | -24 | 0 | 0 | 0 | 112.2 | ||
| 52 | T | 44.4 | Very low | 43.5 | Very low | 55 Ų | 55 | 112.8 Ų | 112.8 | 34% | 0.337 | 57% | 0.567 | S | S | . | * | trans | -129.9 | 122 | -178.5 | 40.2 | 0 | 0 | 0 | 0 | 106.9 | F50 C54 | F50-T52 PolarHBondContact O-N 2.89Å; F50-T52 PolarHBondContact O-OG1 3.36Å; T52-C54 PolarHBondContact O-N 2.91Å | ||
| 53 | P | 38.8 | Very low | 42.7 | Very low | 138 Ų | 138 | 116.4 Ų | 116.4 | 90% | 0.896 | 59% | 0.59 | S | S | * | * | trans | -67.7 | 89.9 | 170 | 27.3 | -29.6 | 0 | 0 | 0 | 107.5 | S55 | P53-S55 PolarHBondContact O-N 2.91Š| ||
| 54 | C | 44.3 | Very low | 41.8 | Very low | 31 Ų | 31 | 117.9 Ų | 117.9 | 21% | 0.209 | 61% | 0.613 | C | S | . | * | trans | -70.4 | 109.4 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 107.1 | F43 T52 E56 | F43-C54 HydrophobicContact CZ-CB 4.3Å; T52-C54 PolarHBondContact O-N 2.91Å; C54-E56 PolarHBondContact O-N 2.88Å; C54-E56 VanDerWaalsContact O-N 3.15Å | ||
| 55 | S | 37.2 | Very low | 41 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -53.4 | 120.5 | 174 | 55 | 0 | 0 | 0 | 0 | 109.5 | P53 N57 | P53-S55 PolarHBondContact O-N 2.91Å; S55-N57 PolarHBondContact O-N 3.13Å | ||
| 56 | E | 37.1 | Very low | 40.3 | Very low | 169 Ų | 169 | 115.2 Ų | 115.2 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -51.8 | 102 | 171.1 | -69.8 | 177.3 | 155.5 | 0 | 0 | 108.4 | C54 | C54-E56 PolarHBondContact O-N 2.88Å; C54-E56 VanDerWaalsContact O-N 3.15Å |
| 57 | N | 33.5 | Very low | 39.8 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | trans | 170.9 | 55.6 | 159.2 | -82.5 | -28.1 | 0 | 0 | 0 | 109.7 | S55 F59 | S55-N57 PolarHBondContact O-N 3.13Å; N57-F59 HydrophobicContact CB-CD2 4.44Å; N57-F59 HydrophobicContact CB-CE2 4.14Å; N57-F59 PolarHBondContact O-N 3.23Å | ||
| 58 | I | 35.3 | Very low | 39.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | trans | -94.9 | 87.6 | 163.9 | -56.3 | 177.9 | 0 | 0 | 0 | 106.8 | A60 | I58-A60 PolarHBondContact O-N 3.32Å; I58-A60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | F | 29.7 | Very low | 39.2 | Very low | 180 Ų | 180 | 122.2 Ų | 122.2 | 79% | 0.789 | 65% | 0.648 | S | S | * | * | trans | -72.3 | 102 | 171.8 | -72.7 | -82.9 | 0 | 0 | 0 | 109.2 | N57 K61 | N57-F59 HydrophobicContact CB-CD2 4.44Å; N57-F59 HydrophobicContact CB-CE2 4.14Å; N57-F59 PolarHBondContact O-N 3.23Å; F59-K61 PolarHBondContact O-N 2.93Å | ||
| 60 | A | 34.3 | Very low | 38.8 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | trans | -62.1 | 113.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I58 H62 | I58-A60 PolarHBondContact O-N 3.32Å; I58-A60 VanDerWaalsContact O-N 3.12Å; A60-H62 PolarHBondContact O-N 2.99Å | ||
| 61 | K | 29.5 | Very low | 38.6 | Very low | 201 Ų | 201 | 119.4 Ų | 119.4 | 87% | 0.874 | 65% | 0.649 | S | S | * | * | trans | -65.7 | 89.5 | 162.3 | -83.7 | -177.4 | 175.8 | 177.1 | 0 | 108.1 | F59 P63 | F59-K61 PolarHBondContact O-N 2.93Å; K61-P63 WeakPolarHBondContact O-CD 3.5Å | ||
| 62 | H | 32.7 | Very low | 38.7 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 68% | 0.681 | 63% | 0.631 | S | S | * | * | trans | -78.6 | 106.4 | 154.6 | -74.2 | -74.9 | 0 | 0 | 0 | 107 | A60 A64 | A60-H62 PolarHBondContact O-N 2.99Å; H62-A64 PolarHBondContact O-N 3.44Å | ||
| 63 | P | 34.9 | Very low | 38.8 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -62.3 | 110.1 | 156 | 26 | -28.1 | 0 | 0 | 0 | 105.5 | K61 M65 | K61-P63 WeakPolarHBondContact O-CD 3.5Å; P63-M65 PolarHBondContact O-N 2.85Å | ||
| 64 | A | 36.3 | Very low | 38.9 | Very low | 92 Ų | 92 | 113 Ų | 113 | 76% | 0.76 | 61% | 0.613 | S | S | * | * | trans | -46.6 | 114.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | H62 S66 | H62-A64 PolarHBondContact O-N 3.44Å; A64-S66 PolarHBondContact O-N 3.04Å | ||
| 65 | M | 35 | Very low | 39.2 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 70% | 0.704 | 63% | 0.63 | S | S | * | * | trans | -60.8 | 113.2 | 176.1 | -68.1 | -153.6 | -54.6 | 0 | 0 | 106.5 | P63 | P63-M65 PolarHBondContact O-N 2.85Š| ||
| 66 | S | 40.1 | Very low | 39.8 | Very low | 60 Ų | 60 | 117.7 Ų | 117.7 | 42% | 0.42 | 62% | 0.619 | S | S | . | * | trans | -58.3 | 142.3 | 175.4 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | A64 E68 K69 | A64-S66 PolarHBondContact O-N 3.04Å; S66-E68 PolarHBondContact O-N 3.37Å; S66-K69 PolarHBondContact O-N 3.14Å | ||
| 67 | V | 46 | Very low | 40.4 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -54 | -25.6 | 179 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | K69 M70 I71 | V67-K69 VanDerWaalsContact C-N 3.32Å; V67-K69 PolarHBondContact O-N 2.69Å; V67-M70 WeakPolarHBondContact O-CB 3.46Å; V67-M70 PolarHBondContact O-N 3.34Å; V67-M70 VanDerWaalsContact O-N 3.09Å; V67-I71 PolarHBondContact O-N 2.84Å |
| 68 | E | 43.6 | Very low | 41.3 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 69% | 0.687 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.8 | -35 | 172.8 | -76.5 | 173 | 151 | 0 | 0 | 113.9 | S66 M70 I71 E72 | S66-E68 PolarHBondContact O-N 3.37Å; E68-M70 VanDerWaalsContact C-N 3.33Å; E68-M70 PolarHBondContact O-N 3.46Å; E68-I71 PolarHBondContact O-N 3.3Å; E68-E72 PolarHBondContact O-N 3.37Å |
| 69 | K | 46.1 | Very low | 42.2 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.4 | -24.8 | 175.5 | -82.3 | -173.6 | 176.3 | 178.1 | 0 | 113.3 | S66 V67 T73 | S66-K69 PolarHBondContact O-N 3.14Å; V67-K69 VanDerWaalsContact C-N 3.32Å; V67-K69 PolarHBondContact O-N 2.69Å; K69-T73 PolarHBondContact O-N 3.34Å; K69-T73 VanDerWaalsContact O-N 3.13Å; K69-T73 PolarHBondContact O-OG1 3.36Å |
| 70 | M | 44.5 | Very low | 43.1 | Very low | 133 Ų | 133 | 112.5 Ų | 112.5 | 66% | 0.655 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71 | -35 | 170.2 | -86.1 | -168.8 | 168.1 | 0 | 0 | 111.5 | V67 E68 T73 G74 | V67-M70 WeakPolarHBondContact O-CB 3.46Å; V67-M70 PolarHBondContact O-N 3.34Å; V67-M70 VanDerWaalsContact O-N 3.09Å; E68-M70 VanDerWaalsContact C-N 3.33Å; E68-M70 PolarHBondContact O-N 3.46Å; M70-T73 VanDerWaalsContact CA-OG1 3.29Å; M70-T73 WeakPolarHBondContact CA-OG1 3.27Å; M70-T73 PolarHBondContact O-N 2.91Å; M70-T73 PolarHBondContact O-OG1 3.38Å; M70-G74 PolarHBondContact O-N 2.95Å; M70-G74 VanDerWaalsContact O-N 3.16Å |
| 71 | I | 43.5 | Very low | 43.7 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 52% | 0.518 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.2 | -40 | 176.5 | -59.5 | 170.8 | 0 | 0 | 0 | 110.7 | V67 E68 T73 G74 Q75 | V67-I71 PolarHBondContact O-N 2.84Å; E68-I71 PolarHBondContact O-N 3.3Å; I71-T73 VanDerWaalsContact C-N 3.31Å; I71-T73 PolarHBondContact O-N 2.86Å; I71-G74 PolarHBondContact O-N 3.42Å; I71-Q75 PolarHBondContact O-N 2.76Å |
| 72 | E | 45.7 | Very low | 45.1 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 48% | 0.477 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -34.2 | 173.2 | -80.8 | -167.4 | 166.8 | 0 | 0 | 113.1 | E68 Q75 K76 | E68-E72 PolarHBondContact O-N 3.37Å; E72-Q75 PolarHBondContact O-N 2.93Å; E72-K76 WeakPolarHBondContact O-CB 3.34Å; E72-K76 VanDerWaalsContact O-CG 3.31Å; E72-K76 WeakPolarHBondContact O-CG 3.3Å; E72-K76 PolarHBondContact O-N 2.86Å |
| 73 | T | 46.1 | Very low | 46.2 | Very low | 77 Ų | 77 | 113.2 Ų | 113.2 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.2 | -32.2 | 176.1 | 34.9 | 0 | 0 | 0 | 0 | 111.9 | K69 M70 I71 Q77 | K69-T73 PolarHBondContact O-N 3.34Å; K69-T73 VanDerWaalsContact O-N 3.13Å; K69-T73 PolarHBondContact O-OG1 3.36Å; M70-T73 VanDerWaalsContact CA-OG1 3.29Å; M70-T73 WeakPolarHBondContact CA-OG1 3.27Å; M70-T73 PolarHBondContact O-N 2.91Å; M70-T73 PolarHBondContact O-OG1 3.38Å; I71-T73 VanDerWaalsContact C-N 3.31Å; I71-T73 PolarHBondContact O-N 2.86Å; T73-Q77 WeakPolarHBondContact O-CG 3.28Å; T73-Q77 PolarHBondContact O-N 3.25Å; T73-Q77 VanDerWaalsContact O-N 3.14Å |
| 74 | G | 42.3 | Very low | 47.2 | Very low | 37 Ų | 37 | 112.8 Ų | 112.8 | 38% | 0.381 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -44.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M70 I71 Q77 Q78 | M70-G74 PolarHBondContact O-N 2.95Å; M70-G74 VanDerWaalsContact O-N 3.16Å; I71-G74 PolarHBondContact O-N 3.42Å; G74-Q77 PolarHBondContact O-N 2.87Å; G74-Q78 PolarHBondContact O-N 3.37Å |
| 75 | Q | 49 | Very low | 48.1 | Very low | 120 Ų | 120 | 112.9 Ų | 112.9 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69 | -34.3 | 176.6 | -72.5 | -171.3 | -6.5 | 0 | 0 | 112.8 | I71 E72 Q77 Q78 Q79 | I71-Q75 PolarHBondContact O-N 2.76Å; E72-Q75 PolarHBondContact O-N 2.93Å; Q75-Q77 VanDerWaalsContact C-N 3.33Å; Q75-Q77 PolarHBondContact O-N 3.36Å; Q75-Q78 PolarHBondContact O-N 3.03Å; Q75-Q79 PolarHBondContact O-N 3.44Å |
| 76 | K | 51.4 | Low | 49.3 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -31.8 | 172.4 | -78.8 | 174.8 | 179.8 | 165.3 | 0 | 112.7 | E72 Q79 Q80 | E72-K76 WeakPolarHBondContact O-CB 3.34Å; E72-K76 VanDerWaalsContact O-CG 3.31Å; E72-K76 WeakPolarHBondContact O-CG 3.3Å; E72-K76 PolarHBondContact O-N 2.86Å; K76-Q79 PolarHBondContact O-N 3.06Å; K76-Q80 WeakPolarHBondContact O-CB 3.42Å; K76-Q80 WeakPolarHBondContact O-CG 3.44Å; K76-Q80 PolarHBondContact O-N 2.89Å |
| 77 | Q | 49.2 | Very low | 50.1 | Low | 122 Ų | 122 | 119 Ų | 119 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.9 | -34.4 | 172.3 | -77.3 | -178.7 | 11.5 | 0 | 0 | 112.2 | T73 G74 Q75 R81 | T73-Q77 WeakPolarHBondContact O-CG 3.28Å; T73-Q77 PolarHBondContact O-N 3.25Å; T73-Q77 VanDerWaalsContact O-N 3.14Å; G74-Q77 PolarHBondContact O-N 2.87Å; Q75-Q77 VanDerWaalsContact C-N 3.33Å; Q75-Q77 PolarHBondContact O-N 3.36Å; Q77-R81 PolarHBondContact O-N 3.46Å |
| 78 | Q | 51.2 | Low | 51.2 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 67% | 0.673 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.8 | -38.7 | 172.2 | -101.8 | 175.1 | -12.7 | 0 | 0 | 113 | G74 Q75 R81 N82 | G74-Q78 PolarHBondContact O-N 3.37Å; Q75-Q78 PolarHBondContact O-N 3.03Å; Q78-R81 PolarHBondContact O-N 3.21Å; Q78-N82 PolarHBondContact O-N 3.28Å |
| 79 | Q | 54.7 | Low | 52.6 | Low | 123 Ų | 123 | 113.8 Ų | 113.8 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67 | -34.5 | 174.5 | -80.7 | -178.2 | -4.5 | 0 | 0 | 113.1 | Q75 K76 R81 N82 L83 | Q75-Q79 PolarHBondContact O-N 3.44Å; K76-Q79 PolarHBondContact O-N 3.06Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.85Å; Q79-N82 PolarHBondContact O-N 3.1Å; Q79-N82 VanDerWaalsContact O-N 3.09Å; Q79-L83 WeakPolarHBondContact O-CD1 3.4Å; Q79-L83 PolarHBondContact O-N 3.25Å; Q79-L83 VanDerWaalsContact O-N 3.09Å |
| 80 | Q | 48.8 | Very low | 54 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -31.2 | 174.9 | -78.4 | -177.9 | 12.6 | 0 | 0 | 112.8 | K76 N82 F84 I92 | K76-Q80 WeakPolarHBondContact O-CB 3.42Å; K76-Q80 WeakPolarHBondContact O-CG 3.44Å; K76-Q80 PolarHBondContact O-N 2.89Å; Q80-N82 VanDerWaalsContact C-N 3.3Å; Q80-F84 PolarHBondContact O-N 3.34Å; Q80-I92 HydrophobicContact CB-CD1 4.37Å |
| 81 | R | 47.9 | Very low | 55.6 | Low | 174 Ų | 174 | 108.2 Ų | 108.2 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -31.5 | 170 | -90.6 | -174.5 | 169.9 | -176.9 | -2 | 112.6 | Q77 Q78 Q79 | Q77-R81 PolarHBondContact O-N 3.46Å; Q78-R81 PolarHBondContact O-N 3.21Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.85Å |
| 82 | N | 58.4 | Low | 57.3 | Low | 135 Ų | 135 | 104.2 Ų | 104.2 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -78.1 | -31.3 | 177.8 | -70.2 | -6.6 | 0 | 0 | 0 | 113.3 | Q78 Q79 Q80 | Q78-N82 PolarHBondContact O-N 3.28Å; Q79-N82 PolarHBondContact O-N 3.1Å; Q79-N82 VanDerWaalsContact O-N 3.09Å; Q80-N82 VanDerWaalsContact C-N 3.3Å |
| 83 | L | 56.5 | Low | 58.9 | Low | 124 Ų | 124 | 101.3 Ų | 101.3 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.9 | -27.9 | 177.7 | -95.1 | 85.1 | 0 | 0 | 0 | 113.7 | Q79 | Q79-L83 WeakPolarHBondContact O-CD1 3.4Å; Q79-L83 PolarHBondContact O-N 3.25Å; Q79-L83 VanDerWaalsContact O-N 3.09Å |
| 84 | F | 54.7 | Low | 60.7 | Low | 102 Ų | 102 | 102.9 Ų | 102.9 | 45% | 0.447 | 52% | 0.522 | S | S | . | . | trans | -133.9 | 74.7 | -179.4 | -60.7 | -77.1 | 0 | 0 | 0 | 110.6 | Q80 H86 R87 I92 | Q80-F84 PolarHBondContact O-N 3.34Å; F84-H86 PolarHBondContact O-N 3.43Å; F84-R87 HydrophobicContact CB-CB 4.33Å; F84-R87 PolarHBondContact O-N 3.11Å; F84-I92 HydrophobicContact CB-CD1 4.13Å; F84-I92 HydrophobicContact CD2-CD1 4.2Å; F84-I92 HydrophobicContact CD2-CG1 4.43Å | ||
| 85 | P | 56 | Low | 62.8 | Low | 95 Ų | 95 | 103.2 Ų | 103.2 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.7 | -171.7 | 22.8 | -32.9 | 0 | 0 | 0 | 114.5 | ||
| 86 | H | 60 | Low | 64.5 | Low | 181 Ų | 181 | 100.8 Ų | 100.8 | 84% | 0.838 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 12.3 | -175.3 | -58.1 | -55.6 | 0 | 0 | 0 | 114.8 | F84 | F84-H86 PolarHBondContact O-N 3.43Š|
| 87 | R | 56.6 | Low | 66.3 | Low | 150 Ų | 150 | 97.3 Ų | 97.3 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -117.4 | 139.6 | 176.7 | -68 | -160.3 | -175.6 | -157.9 | 0.7 | 112 | F84 E91 I92 | F84-R87 HydrophobicContact CB-CB 4.33Å; F84-R87 PolarHBondContact O-N 3.11Å; R87-E91 WeakPolarHBondContact CA-OE2 3.3Å; R87-E91 HydrophobicContact CB-CB 4.24Å; R87-E91 VanDerWaalsContact CB-OE2 3.23Å; R87-E91 WeakPolarHBondContact CB-OE2 3.36Å; R87-E91 WeakPolarHBondContact CD-OE2 3.46Å; R87-E91 WeakPolarHBondContact CG-OE2 3.47Å; R87-I92 HydrophobicContact CB-CG1 4.44Å |
| 88 | S | 70 | Confident | 68.3 | Low | 56 Ų | 56 | 96.1 Ų | 96.1 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | trans | -66 | 150.6 | 174.4 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | A90 E91 I92 | S88-A90 PolarHBondContact O-N 2.87Å; S88-A90 VanDerWaalsContact O-N 3.11Å; S88-E91 WeakPolarHBondContact O-CB 3.18Å; S88-E91 PolarHBondContact O-N 3.23Å; S88-E91 WeakPolarHBondContact OG-CG 3.44Å; S88-E91 PolarHBondContact OG-N 2.88Å; S88-E91 PolarHBondContact OG-OE1 3.34Å; S88-I92 PolarHBondContact O-N 2.91Å | ||
| 89 | I | 72.6 | Confident | 70.3 | Confident | 93 Ų | 93 | 97.2 Ų | 97.2 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.7 | -33.5 | 174.8 | -67 | 169 | 0 | 0 | 0 | 110.9 | I92 G93 | I89-I92 PolarHBondContact O-N 2.86Å; I89-G93 PolarHBondContact O-N 3.37Å |
| 90 | A | 74.9 | Confident | 72 | Confident | 65 Ų | 65 | 99.2 Ų | 99.2 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S88 G93 I94 | S88-A90 PolarHBondContact O-N 2.87Å; S88-A90 VanDerWaalsContact O-N 3.11Å; A90-G93 PolarHBondContact O-N 3.17Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.37Å; A90-I94 PolarHBondContact O-N 3.48Å |
| 91 | E | 77.7 | Confident | 74.1 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.6 | -74.8 | 162.3 | -138.1 | 0 | 0 | 112.7 | R87 S88 G93 I94 A95 | R87-E91 WeakPolarHBondContact CA-OE2 3.3Å; R87-E91 HydrophobicContact CB-CB 4.24Å; R87-E91 VanDerWaalsContact CB-OE2 3.23Å; R87-E91 WeakPolarHBondContact CB-OE2 3.36Å; R87-E91 WeakPolarHBondContact CD-OE2 3.46Å; R87-E91 WeakPolarHBondContact CG-OE2 3.47Å; S88-E91 WeakPolarHBondContact O-CB 3.18Å; S88-E91 PolarHBondContact O-N 3.23Å; S88-E91 WeakPolarHBondContact OG-CG 3.44Å; S88-E91 PolarHBondContact OG-N 2.88Å; S88-E91 PolarHBondContact OG-OE1 3.34Å; E91-G93 VanDerWaalsContact C-N 3.32Å; E91-I94 PolarHBondContact O-N 3.41Å; E91-A95 WeakPolarHBondContact O-CB 3.48Å; E91-A95 PolarHBondContact O-N 2.93Å |
| 92 | I | 78.9 | Confident | 76.3 | Confident | 17 Ų | 17 | 97.3 Ų | 97.3 | 9% | 0.087 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.5 | -61 | 173.4 | 0 | 0 | 0 | 109.8 | Q80 F84 R87 S88 I89 A95 L96 | Q80-I92 HydrophobicContact CB-CD1 4.37Å; F84-I92 HydrophobicContact CB-CD1 4.13Å; F84-I92 HydrophobicContact CD2-CD1 4.2Å; F84-I92 HydrophobicContact CD2-CG1 4.43Å; R87-I92 HydrophobicContact CB-CG1 4.44Å; S88-I92 PolarHBondContact O-N 2.91Å; I89-I92 PolarHBondContact O-N 2.86Å; I92-A95 PolarHBondContact O-N 3.46Å; I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 WeakPolarHBondContact O-CB 3.46Å; I92-L96 WeakPolarHBondContact O-CG 3.23Å; I92-L96 PolarHBondContact O-N 2.96Å |
| 93 | G | 80.9 | Confident | 78 | Confident | 41 Ų | 41 | 93.8 Ų | 93.8 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I89 A90 E91 L96 G97 | I89-G93 PolarHBondContact O-N 3.37Å; A90-G93 PolarHBondContact O-N 3.17Å; E91-G93 VanDerWaalsContact C-N 3.32Å; G93-L96 PolarHBondContact O-N 2.87Å; G93-G97 PolarHBondContact O-N 3.07Å |
| 94 | I | 83.9 | Confident | 79.7 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.2 | -47.2 | 175.2 | -68.4 | 163.4 | 0 | 0 | 0 | 110.3 | A90 E91 L96 G97 L98 | A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.37Å; A90-I94 PolarHBondContact O-N 3.48Å; E91-I94 PolarHBondContact O-N 3.41Å; I94-L96 PolarHBondContact O-N 3.47Å; I94-G97 PolarHBondContact O-N 3.33Å; I94-L98 HydrophobicContact CG2-CD1 4.05Å; I94-L98 HydrophobicContact CG2-CG 4.44Å; I94-L98 WeakPolarHBondContact O-CG 3.26Å; I94-L98 PolarHBondContact O-N 3.48Å |
| 95 | A | 84.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 93.6 Ų | 93.6 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | E91 I92 G97 L98 W99 | E91-A95 WeakPolarHBondContact O-CB 3.48Å; E91-A95 PolarHBondContact O-N 2.93Å; I92-A95 PolarHBondContact O-N 3.46Å; A95-G97 VanDerWaalsContact C-N 3.34Å; A95-G97 PolarHBondContact O-N 3.2Å; A95-L98 PolarHBondContact O-N 2.99Å; A95-W99 WeakPolarHBondContact O-CB 3.49Å; A95-W99 PolarHBondContact O-N 3.46Å |
| 96 | L | 85.6 | Confident | 83.5 | Confident | 70 Ų | 70 | 94 Ų | 94 | 37% | 0.366 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 174.1 | -78.9 | 168 | 0 | 0 | 0 | 112.1 | I92 G93 I94 W99 R100 | I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 WeakPolarHBondContact O-CB 3.46Å; I92-L96 WeakPolarHBondContact O-CG 3.23Å; I92-L96 PolarHBondContact O-N 2.96Å; G93-L96 PolarHBondContact O-N 2.87Å; I94-L96 PolarHBondContact O-N 3.47Å; L96-W99 PolarHBondContact O-N 2.94Å; L96-R100 WeakPolarHBondContact O-CG 3.49Å; L96-R100 PolarHBondContact O-N 3.34Å |
| 97 | G | 88.7 | Confident | 85.1 | Confident | 39 Ų | 39 | 90 Ų | 90 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G93 I94 A95 K101 | G93-G97 PolarHBondContact O-N 3.07Å; I94-G97 PolarHBondContact O-N 3.33Å; A95-G97 VanDerWaalsContact C-N 3.34Å; A95-G97 PolarHBondContact O-N 3.2Å; G97-K101 WeakPolarHBondContact O-CB 3.47Å; G97-K101 PolarHBondContact O-N 2.98Å |
| 98 | L | 91.4 | Very high | 86.9 | Confident | 98 Ų | 98 | 88.9 Ų | 88.9 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 174.2 | -71.5 | 172 | 0 | 0 | 0 | 111.4 | I94 A95 K101 I102 | I94-L98 HydrophobicContact CG2-CD1 4.05Å; I94-L98 HydrophobicContact CG2-CG 4.44Å; I94-L98 WeakPolarHBondContact O-CG 3.26Å; I94-L98 PolarHBondContact O-N 3.48Å; A95-L98 PolarHBondContact O-N 2.99Å; L98-K101 WeakPolarHBondContact O-CB 3.37Å; L98-K101 PolarHBondContact O-N 3.35Å; L98-K101 VanDerWaalsContact O-N 3.15Å; L98-I102 WeakPolarHBondContact O-CG1 3.13Å; L98-I102 PolarHBondContact O-N 2.92Å |
| 99 | W | 92.9 | Very high | 88 | Confident | 166 Ų | 166 | 90.2 Ų | 90.2 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 179.1 | -172.1 | 81.2 | 0 | 0 | 0 | 112.2 | A95 L96 K101 I102 D103 | A95-W99 WeakPolarHBondContact O-CB 3.49Å; A95-W99 PolarHBondContact O-N 3.46Å; L96-W99 PolarHBondContact O-N 2.94Å; W99-K101 VanDerWaalsContact C-N 3.27Å; W99-K101 PolarHBondContact O-N 2.91Å; W99-I102 PolarHBondContact O-N 2.95Å; W99-D103 WeakPolarHBondContact O-CB 3.39Å; W99-D103 PolarHBondContact O-N 2.97Å |
| 100 | R | 91.3 | Very high | 89.1 | Confident | 165 Ų | 165 | 89.6 Ų | 89.6 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.2 | -34.7 | 174.1 | -72.1 | 179.1 | -174.3 | 170.4 | 2.8 | 112.6 | L96 K104 | L96-R100 WeakPolarHBondContact O-CG 3.49Å; L96-R100 PolarHBondContact O-N 3.34Å; R100-K104 WeakPolarHBondContact O-CB 3.43Å; R100-K104 WeakPolarHBondContact O-CG 3.38Å; R100-K104 PolarHBondContact O-N 2.9Å |
| 101 | K | 93.3 | Very high | 90 | Very high | 135 Ų | 135 | 91.3 Ų | 91.3 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 175.5 | -168.9 | 177.8 | -178.5 | -177.9 | 0 | 110.4 | G97 L98 W99 K104 M105 | G97-K101 WeakPolarHBondContact O-CB 3.47Å; G97-K101 PolarHBondContact O-N 2.98Å; L98-K101 WeakPolarHBondContact O-CB 3.37Å; L98-K101 PolarHBondContact O-N 3.35Å; L98-K101 VanDerWaalsContact O-N 3.15Å; W99-K101 VanDerWaalsContact C-N 3.27Å; W99-K101 PolarHBondContact O-N 2.91Å; K101-K104 PolarHBondContact O-N 2.93Å; K101-M105 VanDerWaalsContact O-CG 3.32Å; K101-M105 WeakPolarHBondContact O-CG 3.37Å; K101-M105 PolarHBondContact O-N 3.32Å |
| 102 | I | 92.7 | Very high | 90.8 | Very high | 77 Ų | 77 | 91.5 Ų | 91.5 | 40% | 0.395 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.2 | -69.4 | 167 | 0 | 0 | 0 | 111.1 | L98 W99 K104 M105 H106 | L98-I102 WeakPolarHBondContact O-CG1 3.13Å; L98-I102 PolarHBondContact O-N 2.92Å; W99-I102 PolarHBondContact O-N 2.95Å; I102-K104 PolarHBondContact O-N 3.42Å; I102-M105 HydrophobicContact CB-CE 4.38Å; I102-M105 HydrophobicContact CG1-CE 3.94Å; I102-M105 WeakPolarHBondContact O-CB 3.26Å; I102-M105 PolarHBondContact O-N 3.27Å; I102-M105 VanDerWaalsContact O-N 3.1Å; I102-H106 WeakPolarHBondContact CG2-CE1 3.34Å; I102-H106 PolarHBondContact O-N 2.93Å; I102-H106 PolarHBondContact O-ND1 3.3Å |
| 103 | D | 93.8 | Very high | 91.6 | Very high | 61 Ų | 61 | 98.2 Ų | 98.2 | 33% | 0.326 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.5 | -177.7 | 57.1 | 0 | 0 | 0 | 112.3 | W99 M105 H106 Q107 | W99-D103 WeakPolarHBondContact O-CB 3.39Å; W99-D103 PolarHBondContact O-N 2.97Å; D103-M105 VanDerWaalsContact C-N 3.32Å; D103-M105 PolarHBondContact O-N 3.01Å; D103-H106 PolarHBondContact O-N 2.98Å; D103-Q107 WeakPolarHBondContact O-CG 3.48Å; D103-Q107 PolarHBondContact O-N 3.41Å; D103-Q107 PolarHBondContact OD2-NE2 3.29Å |
| 104 | K | 93.6 | Very high | 92.2 | Very high | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 172.6 | -78.5 | -178.6 | 179.9 | -178.8 | 0 | 112.7 | R100 K101 I102 Q108 | R100-K104 WeakPolarHBondContact O-CB 3.43Å; R100-K104 WeakPolarHBondContact O-CG 3.38Å; R100-K104 PolarHBondContact O-N 2.9Å; K101-K104 PolarHBondContact O-N 2.93Å; I102-K104 PolarHBondContact O-N 3.42Å; K104-Q108 WeakPolarHBondContact O-CB 3.31Å; K104-Q108 VanDerWaalsContact O-CG 3.27Å; K104-Q108 WeakPolarHBondContact O-CG 3.35Å; K104-Q108 PolarHBondContact O-N 3.46Å |
| 105 | M | 95.2 | Very high | 92.7 | Very high | 87 Ų | 87 | 99.4 Ų | 99.4 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175 | -72.7 | -174.1 | -58.4 | 0 | 0 | 111 | K101 I102 D103 Q108 I109 | K101-M105 VanDerWaalsContact O-CG 3.32Å; K101-M105 WeakPolarHBondContact O-CG 3.37Å; K101-M105 PolarHBondContact O-N 3.32Å; I102-M105 HydrophobicContact CB-CE 4.38Å; I102-M105 HydrophobicContact CG1-CE 3.94Å; I102-M105 WeakPolarHBondContact O-CB 3.26Å; I102-M105 PolarHBondContact O-N 3.27Å; I102-M105 VanDerWaalsContact O-N 3.1Å; D103-M105 VanDerWaalsContact C-N 3.32Å; D103-M105 PolarHBondContact O-N 3.01Å; M105-Q108 PolarHBondContact O-N 3.3Å; M105-I109 VanDerWaalsContact O-CG1 3.24Å; M105-I109 WeakPolarHBondContact O-CG1 3.39Å; M105-I109 PolarHBondContact O-N 3.14Å |
| 106 | H | 94.8 | Very high | 93.3 | Very high | 102 Ų | 102 | 100.9 Ų | 100.9 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 175 | -69.7 | 135.5 | 0 | 0 | 0 | 112.1 | I102 D103 Q108 I109 D110 | I102-H106 WeakPolarHBondContact CG2-CE1 3.34Å; I102-H106 PolarHBondContact O-N 2.93Å; I102-H106 PolarHBondContact O-ND1 3.3Å; D103-H106 PolarHBondContact O-N 2.98Å; H106-Q108 VanDerWaalsContact C-N 3.28Å; H106-Q108 PolarHBondContact O-N 3.44Å; H106-I109 WeakPolarHBondContact O-CB 3.48Å; H106-I109 PolarHBondContact O-N 2.94Å; H106-I109 VanDerWaalsContact O-N 3.1Å; H106-D110 PolarHBondContact O-N 2.96Å |
| 107 | Q | 93.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 103.6 Ų | 103.6 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 175.6 | -70.6 | 173.3 | 12.1 | 0 | 0 | 112.4 | D103 N111 | D103-Q107 WeakPolarHBondContact O-CG 3.48Å; D103-Q107 PolarHBondContact O-N 3.41Å; D103-Q107 PolarHBondContact OD2-NE2 3.29Å; Q107-N111 WeakPolarHBondContact O-CB 3.4Å; Q107-N111 PolarHBondContact O-N 2.94Å; Q107-N111 PolarHBondContact O-ND2 3.42Å |
| 108 | Q | 94 | Very high | 94 | Very high | 127 Ų | 127 | 108.7 Ų | 108.7 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -44.1 | 174.4 | -76.1 | 176.3 | -1.2 | 0 | 0 | 111.7 | K104 M105 H106 D110 N111 V112 | K104-Q108 WeakPolarHBondContact O-CB 3.31Å; K104-Q108 VanDerWaalsContact O-CG 3.27Å; K104-Q108 WeakPolarHBondContact O-CG 3.35Å; K104-Q108 PolarHBondContact O-N 3.46Å; M105-Q108 PolarHBondContact O-N 3.3Å; H106-Q108 VanDerWaalsContact C-N 3.28Å; H106-Q108 PolarHBondContact O-N 3.44Å; Q108-D110 VanDerWaalsContact C-N 3.35Å; Q108-D110 PolarHBondContact O-N 2.99Å; Q108-N111 PolarHBondContact O-N 3.19Å; Q108-V112 VanDerWaalsContact O-CG2 3.29Å; Q108-V112 WeakPolarHBondContact O-CG2 3.48Å; Q108-V112 PolarHBondContact O-N 3.46Å |
| 109 | I | 94.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 110 Ų | 110 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 176 | -69.9 | 163.8 | 0 | 0 | 0 | 110.4 | M105 H106 V112 R113 | M105-I109 VanDerWaalsContact O-CG1 3.24Å; M105-I109 WeakPolarHBondContact O-CG1 3.39Å; M105-I109 PolarHBondContact O-N 3.14Å; H106-I109 WeakPolarHBondContact O-CB 3.48Å; H106-I109 PolarHBondContact O-N 2.94Å; H106-I109 VanDerWaalsContact O-N 3.1Å; I109-V112 PolarHBondContact O-N 2.87Å; I109-R113 HydrophobicContact CG2-CG 4.47Å; I109-R113 WeakPolarHBondContact O-CG 3.45Å; I109-R113 PolarHBondContact O-N 3.25Å |
| 110 | D | 94.2 | Very high | 94.3 | Very high | 80 Ų | 80 | 106.1 Ų | 106.1 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 180 | -71.1 | -23 | 0 | 0 | 0 | 112.3 | H106 Q108 V112 R113 Q114 | H106-D110 PolarHBondContact O-N 2.96Å; Q108-D110 VanDerWaalsContact C-N 3.35Å; Q108-D110 PolarHBondContact O-N 2.99Å; D110-V112 VanDerWaalsContact C-N 3.33Å; D110-V112 PolarHBondContact O-N 2.93Å; D110-R113 PolarHBondContact O-N 3.38Å; D110-Q114 WeakPolarHBondContact O-CG 3.44Å; D110-Q114 PolarHBondContact O-N 3.37Å |
| 111 | N | 94.5 | Very high | 94.5 | Very high | 101 Ų | 101 | 103.4 Ų | 103.4 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.7 | -75.2 | -35.3 | 0 | 0 | 0 | 112 | Q107 Q108 S115 | Q107-N111 WeakPolarHBondContact O-CB 3.4Å; Q107-N111 PolarHBondContact O-N 2.94Å; Q107-N111 PolarHBondContact O-ND2 3.42Å; Q108-N111 PolarHBondContact O-N 3.19Å; N111-S115 VanDerWaalsContact O-CB 3.29Å; N111-S115 WeakPolarHBondContact O-CB 3.31Å; N111-S115 PolarHBondContact O-N 3.41Å |
| 112 | V | 94.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 100.1 Ų | 100.1 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 175.3 | 171 | 0 | 0 | 0 | 0 | 110.7 | Q108 I109 D110 S115 N116 | Q108-V112 VanDerWaalsContact O-CG2 3.29Å; Q108-V112 WeakPolarHBondContact O-CG2 3.48Å; Q108-V112 PolarHBondContact O-N 3.46Å; I109-V112 PolarHBondContact O-N 2.87Å; D110-V112 VanDerWaalsContact C-N 3.33Å; D110-V112 PolarHBondContact O-N 2.93Å; V112-S115 PolarHBondContact O-N 3.42Å; V112-N116 WeakPolarHBondContact O-CB 3.26Å; V112-N116 VanDerWaalsContact O-CG 3.29Å; V112-N116 PolarHBondContact O-N 3.25Å; V112-N116 PolarHBondContact O-ND2 2.97Å |
| 113 | R | 95 | Very high | 94.7 | Very high | 158 Ų | 158 | 104.3 Ų | 104.3 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -51 | 175.3 | -76.5 | 177.1 | 177.6 | -161.7 | -0.3 | 111.7 | I109 D110 S115 N116 E117 | I109-R113 HydrophobicContact CG2-CG 4.47Å; I109-R113 WeakPolarHBondContact O-CG 3.45Å; I109-R113 PolarHBondContact O-N 3.25Å; D110-R113 PolarHBondContact O-N 3.38Å; R113-S115 VanDerWaalsContact C-N 3.31Å; R113-S115 PolarHBondContact O-N 2.94Å; R113-N116 PolarHBondContact O-N 2.93Å; R113-E117 WeakPolarHBondContact O-CG 3.34Å; R113-E117 PolarHBondContact O-N 3.14Å |
| 114 | Q | 94.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 107.6 Ų | 107.6 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 177.7 | -71.5 | -176.9 | 9.9 | 0 | 0 | 112.5 | D110 E117 K118 | D110-Q114 WeakPolarHBondContact O-CG 3.44Å; D110-Q114 PolarHBondContact O-N 3.37Å; Q114-E117 PolarHBondContact O-N 3.45Å; Q114-K118 WeakPolarHBondContact O-CB 3.42Å; Q114-K118 WeakPolarHBondContact O-CG 3.48Å; Q114-K118 PolarHBondContact O-N 3.43Å |
| 115 | S | 94.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 105.1 Ų | 105.1 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | N111 V112 R113 E117 K118 Q119 | N111-S115 VanDerWaalsContact O-CB 3.29Å; N111-S115 WeakPolarHBondContact O-CB 3.31Å; N111-S115 PolarHBondContact O-N 3.41Å; V112-S115 PolarHBondContact O-N 3.42Å; R113-S115 VanDerWaalsContact C-N 3.31Å; R113-S115 PolarHBondContact O-N 2.94Å; S115-E117 PolarHBondContact O-N 2.91Å; S115-K118 PolarHBondContact O-N 3Å; S115-Q119 WeakPolarHBondContact O-CB 3.28Å; S115-Q119 PolarHBondContact O-N 3.45Å |
| 116 | N | 95.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 109.3 Ų | 109.3 | 40% | 0.401 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.4 | -75.8 | -20.7 | 0 | 0 | 0 | 112.3 | V112 R113 Q119 N120 | V112-N116 WeakPolarHBondContact O-CB 3.26Å; V112-N116 VanDerWaalsContact O-CG 3.29Å; V112-N116 PolarHBondContact O-N 3.25Å; V112-N116 PolarHBondContact O-ND2 2.97Å; R113-N116 PolarHBondContact O-N 2.93Å; N116-Q119 PolarHBondContact O-N 3.29Å; N116-N120 VanDerWaalsContact O-CB 3.27Å; N116-N120 WeakPolarHBondContact O-CB 3.44Å; N116-N120 VanDerWaalsContact O-CG 3.24Å; N116-N120 PolarHBondContact O-N 3.25Å; N116-N120 PolarHBondContact O-ND2 3.33Å |
| 117 | E | 95.2 | Very high | 94.9 | Very high | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 175.3 | -76.6 | 172.4 | -174.3 | 0 | 0 | 111.6 | R113 Q114 S115 Q119 N120 H121 | R113-E117 WeakPolarHBondContact O-CG 3.34Å; R113-E117 PolarHBondContact O-N 3.14Å; Q114-E117 PolarHBondContact O-N 3.45Å; S115-E117 PolarHBondContact O-N 2.91Å; E117-Q119 VanDerWaalsContact C-N 3.34Å; E117-Q119 PolarHBondContact O-N 3.48Å; E117-N120 PolarHBondContact O-N 3.47Å; E117-H121 WeakPolarHBondContact O-CB 3.4Å; E117-H121 PolarHBondContact O-N 2.95Å |
| 118 | K | 94.4 | Very high | 94.9 | Very high | 145 Ų | 145 | 107.9 Ų | 107.9 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 175 | -73.7 | 175.5 | -178.1 | 176.2 | 0 | 111.4 | Q114 S115 H121 V122 | Q114-K118 WeakPolarHBondContact O-CB 3.42Å; Q114-K118 WeakPolarHBondContact O-CG 3.48Å; Q114-K118 PolarHBondContact O-N 3.43Å; S115-K118 PolarHBondContact O-N 3Å; K118-H121 PolarHBondContact O-N 3.05Å; K118-V122 WeakPolarHBondContact O-CG2 3.37Å; K118-V122 PolarHBondContact O-N 3.22Å |
| 119 | Q | 94.5 | Very high | 95 | Very high | 127 Ų | 127 | 108.1 Ų | 108.1 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 177.6 | -172.5 | 178.1 | -0.6 | 0 | 0 | 111.6 | S115 N116 E117 V122 R123 | S115-Q119 WeakPolarHBondContact O-CB 3.28Å; S115-Q119 PolarHBondContact O-N 3.45Å; N116-Q119 PolarHBondContact O-N 3.29Å; E117-Q119 VanDerWaalsContact C-N 3.34Å; E117-Q119 PolarHBondContact O-N 3.48Å; Q119-V122 PolarHBondContact O-N 3.48Å; Q119-R123 VanDerWaalsContact O-CB 3.31Å; Q119-R123 WeakPolarHBondContact O-CB 3.35Å; Q119-R123 PolarHBondContact O-N 2.93Å |
| 120 | N | 95.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 108.3 Ų | 108.3 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.3 | -78.2 | -26.8 | 0 | 0 | 0 | 111.8 | N116 E117 R123 Q124 | N116-N120 VanDerWaalsContact O-CB 3.27Å; N116-N120 WeakPolarHBondContact O-CB 3.44Å; N116-N120 VanDerWaalsContact O-CG 3.24Å; N116-N120 PolarHBondContact O-N 3.25Å; N116-N120 PolarHBondContact O-ND2 3.33Å; E117-N120 PolarHBondContact O-N 3.47Å; N120-R123 WeakPolarHBondContact O-CB 3.33Å; N120-R123 PolarHBondContact O-N 2.89Å; N120-Q124 WeakPolarHBondContact O-CG 3.38Å; N120-Q124 PolarHBondContact O-N 3.25Å |
| 121 | H | 95.6 | Very high | 95.1 | Very high | 109 Ų | 109 | 110 Ų | 110 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 176 | -173.8 | 65.9 | 0 | 0 | 0 | 111.8 | E117 K118 R123 Q124 L125 | E117-H121 WeakPolarHBondContact O-CB 3.4Å; E117-H121 PolarHBondContact O-N 2.95Å; K118-H121 PolarHBondContact O-N 3.05Å; H121-R123 VanDerWaalsContact C-N 3.28Å; H121-R123 PolarHBondContact O-N 3.45Å; H121-Q124 PolarHBondContact O-N 3.01Å; H121-L125 WeakPolarHBondContact O-CG 3.37Å; H121-L125 PolarHBondContact O-N 3.27Å |
| 122 | V | 94.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 112.1 Ų | 112.1 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | K118 Q119 L125 R126 | K118-V122 WeakPolarHBondContact O-CG2 3.37Å; K118-V122 PolarHBondContact O-N 3.22Å; Q119-V122 PolarHBondContact O-N 3.48Å; V122-L125 PolarHBondContact O-N 3.39Å; V122-R126 HydrophobicContact CG1-CG 4.49Å; V122-R126 WeakPolarHBondContact O-CB 3.47Å; V122-R126 VanDerWaalsContact O-CG 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.39Å; V122-R126 PolarHBondContact O-N 2.64Å |
| 123 | R | 95.3 | Very high | 95.2 | Very high | 165 Ų | 165 | 115.8 Ų | 115.8 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.7 | -45.6 | 175.3 | -175.9 | -178.9 | 179.6 | -175.8 | 0.5 | 111.6 | Q119 N120 H121 R126 L127 | Q119-R123 VanDerWaalsContact O-CB 3.31Å; Q119-R123 WeakPolarHBondContact O-CB 3.35Å; Q119-R123 PolarHBondContact O-N 2.93Å; N120-R123 WeakPolarHBondContact O-CB 3.33Å; N120-R123 PolarHBondContact O-N 2.89Å; H121-R123 VanDerWaalsContact C-N 3.28Å; H121-R123 PolarHBondContact O-N 3.45Å; R123-R126 PolarHBondContact O-N 3.43Å; R123-L127 HydrophobicContact CG-CD1 4.29Å; R123-L127 WeakPolarHBondContact O-CG 3.46Å; R123-L127 PolarHBondContact O-N 3.46Å |
| 124 | Q | 95.5 | Very high | 95.2 | Very high | 129 Ų | 129 | 116.4 Ų | 116.4 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 177.2 | -74.7 | 178.5 | 1.1 | 0 | 0 | 112 | N120 H121 R126 L127 S128 | N120-Q124 WeakPolarHBondContact O-CG 3.38Å; N120-Q124 PolarHBondContact O-N 3.25Å; H121-Q124 PolarHBondContact O-N 3.01Å; Q124-R126 PolarHBondContact O-N 3.33Å; Q124-L127 PolarHBondContact O-N 3.43Å; Q124-S128 WeakPolarHBondContact O-CB 3.3Å; Q124-S128 PolarHBondContact O-N 3Å |
| 125 | L | 95.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 115.8 Ų | 115.8 | 44% | 0.44 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.7 | -72 | 175.4 | 0 | 0 | 0 | 111.9 | H121 V122 L127 S128 H129 | H121-L125 WeakPolarHBondContact O-CG 3.37Å; H121-L125 PolarHBondContact O-N 3.27Å; V122-L125 PolarHBondContact O-N 3.39Å; L125-L127 PolarHBondContact O-N 3.33Å; L125-S128 PolarHBondContact O-N 3.15Å; L125-H129 WeakPolarHBondContact O-CB 3.41Å; L125-H129 PolarHBondContact O-CD2 3.18Å; L125-H129 PolarHBondContact O-N 3.44Å |
| 126 | R | 95.7 | Very high | 95.3 | Very high | 175 Ų | 175 | 116 Ų | 116 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 175.7 | -74.2 | 175.9 | -177.9 | -177 | 1.9 | 111.7 | V122 R123 Q124 H129 I130 | V122-R126 HydrophobicContact CG1-CG 4.49Å; V122-R126 WeakPolarHBondContact O-CB 3.47Å; V122-R126 VanDerWaalsContact O-CG 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.39Å; V122-R126 PolarHBondContact O-N 2.64Å; R123-R126 PolarHBondContact O-N 3.43Å; Q124-R126 PolarHBondContact O-N 3.33Å; R126-H129 PolarHBondContact O-N 3.03Å; R126-I130 VanDerWaalsContact O-CG1 3.24Å; R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 3.44Å |
| 127 | L | 95.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 117.4 Ų | 117.4 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.4 | -72.4 | 172.1 | 0 | 0 | 0 | 111.8 | R123 Q124 L125 H129 I130 Q131 | R123-L127 HydrophobicContact CG-CD1 4.29Å; R123-L127 WeakPolarHBondContact O-CG 3.46Å; R123-L127 PolarHBondContact O-N 3.46Å; Q124-L127 PolarHBondContact O-N 3.43Å; L125-L127 PolarHBondContact O-N 3.33Å; L127-H129 PolarHBondContact O-N 3.03Å; L127-I130 PolarHBondContact O-N 3.39Å; L127-Q131 WeakPolarHBondContact O-CB 3.48Å; L127-Q131 PolarHBondContact O-N 3.33Å |
| 128 | S | 95.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 115.7 Ų | 115.7 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | Q124 L125 Q131 K132 | Q124-S128 WeakPolarHBondContact O-CB 3.3Å; Q124-S128 PolarHBondContact O-N 3Å; L125-S128 PolarHBondContact O-N 3.15Å; S128-Q131 PolarHBondContact O-N 3.44Å; S128-K132 WeakPolarHBondContact O-CB 3.42Å; S128-K132 PolarHBondContact O-N 2.88Å |
| 129 | H | 95.7 | Very high | 95.3 | Very high | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.616 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 175.9 | -83.8 | -141 | 0 | 0 | 0 | 112.3 | L125 R126 L127 Q131 K132 Y133 | L125-H129 WeakPolarHBondContact O-CB 3.41Å; L125-H129 PolarHBondContact O-CD2 3.18Å; L125-H129 PolarHBondContact O-N 3.44Å; R126-H129 PolarHBondContact O-N 3.03Å; L127-H129 PolarHBondContact O-N 3.03Å; H129-Q131 VanDerWaalsContact C-N 3.34Å; H129-Q131 PolarHBondContact O-N 3.2Å; H129-K132 PolarHBondContact O-N 2.95Å; H129-Y133 WeakPolarHBondContact O-CB 3.4Å; H129-Y133 PolarHBondContact O-N 3.39Å |
| 130 | I | 95.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 117.7 Ų | 117.7 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 177.1 | -70 | 165.3 | 0 | 0 | 0 | 110.4 | R126 L127 Y133 R134 | R126-I130 VanDerWaalsContact O-CG1 3.24Å; R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 3.44Å; L127-I130 PolarHBondContact O-N 3.39Å; I130-Y133 PolarHBondContact O-N 2.87Å; I130-R134 WeakPolarHBondContact O-CG 3.41Å; I130-R134 PolarHBondContact O-N 2.93Å |
| 131 | Q | 95.3 | Very high | 95.4 | Very high | 116 Ų | 116 | 117.1 Ų | 117.1 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 178.1 | -176.3 | 176 | -12.1 | 0 | 0 | 111.5 | L127 S128 H129 Y133 R134 E135 | L127-Q131 WeakPolarHBondContact O-CB 3.48Å; L127-Q131 PolarHBondContact O-N 3.33Å; S128-Q131 PolarHBondContact O-N 3.44Å; H129-Q131 VanDerWaalsContact C-N 3.34Å; H129-Q131 PolarHBondContact O-N 3.2Å; Q131-Y133 VanDerWaalsContact C-N 3.3Å; Q131-Y133 PolarHBondContact O-N 3.31Å; Q131-R134 WeakPolarHBondContact O-CB 3.48Å; Q131-R134 PolarHBondContact O-N 3.33Å; Q131-R134 VanDerWaalsContact O-N 3.14Å; Q131-E135 PolarHBondContact NE2-OE1 3.43Å; Q131-E135 WeakPolarHBondContact O-CG 3.49Å; Q131-E135 PolarHBondContact O-N 2.99Å |
| 132 | K | 95.5 | Very high | 95.4 | Very high | 145 Ų | 145 | 119.2 Ų | 119.2 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 177 | -170.9 | 176.7 | -177.8 | 178.6 | 0 | 111.8 | S128 H129 E135 T136 | S128-K132 WeakPolarHBondContact O-CB 3.42Å; S128-K132 PolarHBondContact O-N 2.88Å; H129-K132 PolarHBondContact O-N 2.95Å; K132-E135 PolarHBondContact O-N 3.16Å; K132-T136 WeakPolarHBondContact O-CG2 3.44Å; K132-T136 PolarHBondContact O-N 3.48Å; K132-T136 PolarHBondContact O-OG1 3.17Å |
| 133 | Y | 95 | Very high | 95.6 | Very high | 163 Ų | 163 | 124.2 Ų | 124.2 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -40.7 | 175.7 | -174.2 | -92.9 | 0 | 0 | 0 | 112.4 | H129 I130 Q131 T136 F137 | H129-Y133 WeakPolarHBondContact O-CB 3.4Å; H129-Y133 PolarHBondContact O-N 3.39Å; I130-Y133 PolarHBondContact O-N 2.87Å; Q131-Y133 VanDerWaalsContact C-N 3.3Å; Q131-Y133 PolarHBondContact O-N 3.31Å; Y133-T136 WeakPolarHBondContact CA-OG1 3.34Å; Y133-T136 PolarHBondContact O-N 3.44Å; Y133-T136 PolarHBondContact O-OG1 3.08Å; Y133-F137 VanDerWaalsContact O-CB 3.32Å; Y133-F137 WeakPolarHBondContact O-CB 3.48Å; Y133-F137 PolarHBondContact O-N 3.15Å |
| 134 | R | 95.1 | Very high | 95.6 | Very high | 171 Ų | 171 | 119.7 Ų | 119.7 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 174.5 | -75.4 | 177.2 | 178 | -166.4 | -0.7 | 111.7 | I130 Q131 F137 I138 | I130-R134 WeakPolarHBondContact O-CG 3.41Å; I130-R134 PolarHBondContact O-N 2.93Å; Q131-R134 WeakPolarHBondContact O-CB 3.48Å; Q131-R134 PolarHBondContact O-N 3.33Å; Q131-R134 VanDerWaalsContact O-N 3.14Å; R134-F137 PolarHBondContact O-N 2.93Å; R134-I138 VanDerWaalsContact O-CG1 3.28Å; R134-I138 WeakPolarHBondContact O-CG1 3.38Å; R134-I138 PolarHBondContact O-N 2.89Å |
| 135 | E | 95.2 | Very high | 95.7 | Very high | 91 Ų | 91 | 116.1 Ų | 116.1 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 178.3 | -72.8 | 175.7 | -164.3 | 0 | 0 | 112.5 | Q131 K132 K139 | Q131-E135 PolarHBondContact NE2-OE1 3.43Å; Q131-E135 WeakPolarHBondContact O-CG 3.49Å; Q131-E135 PolarHBondContact O-N 2.99Å; K132-E135 PolarHBondContact O-N 3.16Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 VanDerWaalsContact O-CG 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.49Å; E135-K139 PolarHBondContact O-N 3.42Å |
| 136 | T | 95.7 | Very high | 95.8 | Very high | 76 Ų | 76 | 117.6 Ų | 117.6 | 47% | 0.466 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | K132 Y133 K139 R140 | K132-T136 WeakPolarHBondContact O-CG2 3.44Å; K132-T136 PolarHBondContact O-N 3.48Å; K132-T136 PolarHBondContact O-OG1 3.17Å; Y133-T136 WeakPolarHBondContact CA-OG1 3.34Å; Y133-T136 PolarHBondContact O-N 3.44Å; Y133-T136 PolarHBondContact O-OG1 3.08Å; T136-K139 PolarHBondContact O-N 3.1Å; T136-R140 WeakPolarHBondContact O-CB 3.39Å; T136-R140 PolarHBondContact O-N 3.28Å |
| 137 | F | 94.5 | Very high | 95.9 | Very high | 104 Ų | 104 | 112.2 Ų | 112.2 | 46% | 0.456 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 174.4 | -170.7 | -93.4 | 0 | 0 | 0 | 111.5 | Y133 R134 K139 R140 D141 | Y133-F137 VanDerWaalsContact O-CB 3.32Å; Y133-F137 WeakPolarHBondContact O-CB 3.48Å; Y133-F137 PolarHBondContact O-N 3.15Å; R134-F137 PolarHBondContact O-N 2.93Å; F137-K139 VanDerWaalsContact C-N 3.34Å; F137-K139 PolarHBondContact O-N 3Å; F137-R140 WeakPolarHBondContact O-CB 3.29Å; F137-R140 PolarHBondContact O-N 3.49Å; F137-R140 VanDerWaalsContact O-N 3.13Å; F137-D141 WeakPolarHBondContact CD1-OD2 3.48Å; F137-D141 WeakPolarHBondContact CE1-OD2 3.4Å; F137-D141 PolarHBondContact O-N 3.19Å |
| 138 | I | 95 | Very high | 96 | Very high | 91 Ų | 91 | 113.3 Ų | 113.3 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 177.4 | -67.1 | 164.6 | 0 | 0 | 0 | 111.5 | R134 D141 K142 | R134-I138 VanDerWaalsContact O-CG1 3.28Å; R134-I138 WeakPolarHBondContact O-CG1 3.38Å; R134-I138 PolarHBondContact O-N 2.89Å; I138-D141 PolarHBondContact O-N 3.48Å; I138-K142 HydrophobicContact CG2-CD 4.26Å; I138-K142 WeakPolarHBondContact O-CB 3.37Å; I138-K142 WeakPolarHBondContact O-CG 3.46Å; I138-K142 PolarHBondContact O-N 3.01Å |
| 139 | K | 95.8 | Very high | 96.1 | Very high | 143 Ų | 143 | 117.2 Ų | 117.2 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 176.5 | -75.8 | 175.5 | -176.7 | 175.7 | 0 | 111.7 | E135 T136 F137 R143 | E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 VanDerWaalsContact O-CG 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.49Å; E135-K139 PolarHBondContact O-N 3.42Å; T136-K139 PolarHBondContact O-N 3.1Å; F137-K139 VanDerWaalsContact C-N 3.34Å; F137-K139 PolarHBondContact O-N 3Å; K139-R143 WeakPolarHBondContact O-CB 3.5Å; K139-R143 PolarHBondContact O-N 3.41Å |
| 140 | R | 95.6 | Very high | 96.2 | Very high | 172 Ų | 172 | 115.2 Ų | 115.2 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 177 | -177.9 | -178.7 | 176.5 | 175.6 | -1.2 | 111.1 | T136 F137 R143 I144 | T136-R140 WeakPolarHBondContact O-CB 3.39Å; T136-R140 PolarHBondContact O-N 3.28Å; F137-R140 WeakPolarHBondContact O-CB 3.29Å; F137-R140 PolarHBondContact O-N 3.49Å; F137-R140 VanDerWaalsContact O-N 3.13Å; R140-R143 WeakPolarHBondContact O-CB 3.46Å; R140-R143 PolarHBondContact O-N 3.32Å; R140-I144 HydrophobicContact CG-CD1 3.93Å; R140-I144 WeakPolarHBondContact O-CG1 3.44Å; R140-I144 PolarHBondContact O-N 3.15Å |
| 141 | D | 95.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 119.1 Ų | 119.1 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 179.8 | -74.4 | -7.4 | 0 | 0 | 0 | 112.1 | F137 I138 R143 I144 A145 | F137-D141 WeakPolarHBondContact CD1-OD2 3.48Å; F137-D141 WeakPolarHBondContact CE1-OD2 3.4Å; F137-D141 PolarHBondContact O-N 3.19Å; I138-D141 PolarHBondContact O-N 3.48Å; D141-R143 VanDerWaalsContact C-N 3.28Å; D141-R143 PolarHBondContact O-N 3.06Å; D141-I144 PolarHBondContact O-N 3.03Å; D141-A145 WeakPolarHBondContact O-CB 3.37Å; D141-A145 PolarHBondContact O-N 2.93Å |
| 142 | K | 96.9 | Very high | 96.4 | Very high | 153 Ų | 153 | 117 Ų | 117 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.6 | -41.6 | 173 | -74.8 | -179.2 | 179.7 | -174.9 | 0 | 111.9 | I138 M146 | I138-K142 HydrophobicContact CG2-CD 4.26Å; I138-K142 WeakPolarHBondContact O-CB 3.37Å; I138-K142 WeakPolarHBondContact O-CG 3.46Å; I138-K142 PolarHBondContact O-N 3.01Å; K142-M146 WeakPolarHBondContact O-CB 3.4Å; K142-M146 PolarHBondContact O-N 3.31Å |
| 143 | R | 97 | Very high | 96.5 | Very high | 172 Ų | 172 | 113.9 Ų | 113.9 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 176.2 | -175.1 | 178.6 | -179.1 | -177.2 | 0.5 | 111.8 | K139 R140 D141 M146 L147 | K139-R143 WeakPolarHBondContact O-CB 3.5Å; K139-R143 PolarHBondContact O-N 3.41Å; R140-R143 WeakPolarHBondContact O-CB 3.46Å; R140-R143 PolarHBondContact O-N 3.32Å; D141-R143 VanDerWaalsContact C-N 3.28Å; D141-R143 PolarHBondContact O-N 3.06Å; R143-M146 PolarHBondContact O-N 3.28Å; R143-L147 HydrophobicContact CG-CD1 4.12Å; R143-L147 WeakPolarHBondContact O-CB 3.45Å; R143-L147 VanDerWaalsContact O-CG 3.32Å; R143-L147 WeakPolarHBondContact O-CG 3.5Å; R143-L147 PolarHBondContact O-N 3.49Å |
| 144 | I | 96.5 | Very high | 96.6 | Very high | 70 Ų | 70 | 110.5 Ų | 110.5 | 36% | 0.359 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.3 | -69.7 | 167.9 | 0 | 0 | 0 | 110.3 | R140 D141 M146 L147 Q148 | R140-I144 HydrophobicContact CG-CD1 3.93Å; R140-I144 WeakPolarHBondContact O-CG1 3.44Å; R140-I144 PolarHBondContact O-N 3.15Å; D141-I144 PolarHBondContact O-N 3.03Å; I144-M146 PolarHBondContact O-N 2.89Å; I144-L147 PolarHBondContact O-N 3.46Å; I144-Q148 HydrophobicContact CG2-CG 4.42Å; I144-Q148 WeakPolarHBondContact O-CG 3.32Å; I144-Q148 PolarHBondContact O-N 3.4Å |
| 145 | A | 97.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 109 Ų | 109 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D141 Q148 K149 | D141-A145 WeakPolarHBondContact O-CB 3.37Å; D141-A145 PolarHBondContact O-N 2.93Å; A145-Q148 PolarHBondContact O-N 3.37Å; A145-K149 PolarHBondContact O-N 2.97Å |
| 146 | M | 97.7 | Very high | 96.8 | Very high | 115 Ų | 115 | 111 Ų | 111 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -46.6 | 175.5 | -178.1 | -123.4 | -67.8 | 0 | 0 | 111.9 | K142 R143 I144 Q148 K149 Q150 | K142-M146 WeakPolarHBondContact O-CB 3.4Å; K142-M146 PolarHBondContact O-N 3.31Å; R143-M146 PolarHBondContact O-N 3.28Å; I144-M146 PolarHBondContact O-N 2.89Å; M146-Q148 PolarHBondContact O-N 2.9Å; M146-K149 PolarHBondContact O-N 3.42Å; M146-Q150 PolarHBondContact O-N 2.91Å |
| 147 | L | 97.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 112.1 Ų | 112.1 | 33% | 0.325 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 178.1 | -71.7 | 172.3 | 0 | 0 | 0 | 112.5 | R143 I144 Q150 R151 | R143-L147 HydrophobicContact CG-CD1 4.12Å; R143-L147 WeakPolarHBondContact O-CB 3.45Å; R143-L147 VanDerWaalsContact O-CG 3.32Å; R143-L147 WeakPolarHBondContact O-CG 3.5Å; R143-L147 PolarHBondContact O-N 3.49Å; I144-L147 PolarHBondContact O-N 3.46Å; L147-Q150 PolarHBondContact O-N 2.87Å; L147-R151 WeakPolarHBondContact O-CG 3.34Å; L147-R151 PolarHBondContact O-N 3.29Å |
| 148 | Q | 97.4 | Very high | 97.1 | Very high | 125 Ų | 125 | 111.3 Ų | 111.3 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 174.3 | -75.2 | 174.9 | -17.8 | 0 | 0 | 111.5 | I144 A145 M146 R151 S152 | I144-Q148 HydrophobicContact CG2-CG 4.42Å; I144-Q148 WeakPolarHBondContact O-CG 3.32Å; I144-Q148 PolarHBondContact O-N 3.4Å; A145-Q148 PolarHBondContact O-N 3.37Å; M146-Q148 PolarHBondContact O-N 2.9Å; Q148-R151 PolarHBondContact O-N 2.99Å; Q148-S152 PolarHBondContact O-N 3.47Å |
| 149 | K | 97.6 | Very high | 97.2 | Very high | 150 Ų | 150 | 111.1 Ų | 111.1 | 65% | 0.652 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | 174.4 | -174 | 178.5 | -179.7 | 180 | 0 | 111.3 | A145 M146 S152 I153 | A145-K149 PolarHBondContact O-N 2.97Å; M146-K149 PolarHBondContact O-N 3.42Å; K149-S152 WeakPolarHBondContact O-CB 3.39Å; K149-S152 PolarHBondContact O-N 2.88Å; K149-I153 HydrophobicContact CG-CD1 4.15Å; K149-I153 WeakPolarHBondContact O-CG1 3.34Å; K149-I153 PolarHBondContact O-N 3.27Å; K149-I153 VanDerWaalsContact O-N 3.07Å |
| 150 | Q | 97.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 111 Ų | 111 | 43% | 0.425 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 176.9 | -178.1 | 178 | -5.7 | 0 | 0 | 111.8 | M146 L147 S152 I153 E154 | M146-Q150 PolarHBondContact O-N 2.91Å; L147-Q150 PolarHBondContact O-N 2.87Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 2.92Å; Q150-I153 PolarHBondContact O-N 3.23Å; Q150-I153 VanDerWaalsContact O-N 3.14Å; Q150-E154 HydrophobicContact CG-CG 4.43Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.36Å; Q150-E154 PolarHBondContact NE2-OE1 3.39Å; Q150-E154 WeakPolarHBondContact O-CG 3.29Å; Q150-E154 PolarHBondContact O-N 3.2Å |
| 151 | R | 97.5 | Very high | 97.3 | Very high | 169 Ų | 169 | 110.4 Ų | 110.4 | 64% | 0.638 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 177.1 | -72 | 179.5 | -161.6 | -179 | 4.1 | 112.8 | L147 Q148 K155 | L147-R151 WeakPolarHBondContact O-CG 3.34Å; L147-R151 PolarHBondContact O-N 3.29Å; Q148-R151 PolarHBondContact O-N 2.99Å; R151-K155 VanDerWaalsContact O-CB 3.27Å; R151-K155 WeakPolarHBondContact O-CB 3.36Å; R151-K155 PolarHBondContact O-N 2.95Å |
| 152 | S | 97.7 | Very high | 97.4 | Very high | 72 Ų | 72 | 112.2 Ų | 112.2 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | Q148 K149 Q150 K155 M156 | Q148-S152 PolarHBondContact O-N 3.47Å; K149-S152 WeakPolarHBondContact O-CB 3.39Å; K149-S152 PolarHBondContact O-N 2.88Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 2.92Å; S152-K155 PolarHBondContact O-N 3.43Å; S152-M156 WeakPolarHBondContact O-CB 3.42Å; S152-M156 PolarHBondContact O-N 3.27Å |
| 153 | I | 97.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 108.3 Ų | 108.3 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.6 | -66.3 | 166.3 | 0 | 0 | 0 | 110.8 | K149 Q150 K155 M156 Q157 | K149-I153 HydrophobicContact CG-CD1 4.15Å; K149-I153 WeakPolarHBondContact O-CG1 3.34Å; K149-I153 PolarHBondContact O-N 3.27Å; K149-I153 VanDerWaalsContact O-N 3.07Å; Q150-I153 PolarHBondContact O-N 3.23Å; Q150-I153 VanDerWaalsContact O-N 3.14Å; I153-K155 VanDerWaalsContact C-N 3.33Å; I153-K155 PolarHBondContact O-N 2.93Å; I153-M156 WeakPolarHBondContact O-CB 3.36Å; I153-M156 PolarHBondContact O-N 2.9Å; I153-Q157 HydrophobicContact CG2-CG 4.42Å; I153-Q157 WeakPolarHBondContact O-CG 3.45Å; I153-Q157 PolarHBondContact O-N 2.89Å |
| 154 | E | 97.3 | Very high | 97.5 | Very high | 93 Ų | 93 | 103.5 Ų | 103.5 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 177.8 | -73.2 | 171 | -176.2 | 0 | 0 | 111.6 | Q150 M156 Q157 L158 | Q150-E154 HydrophobicContact CG-CG 4.43Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.36Å; Q150-E154 PolarHBondContact NE2-OE1 3.39Å; Q150-E154 WeakPolarHBondContact O-CG 3.29Å; Q150-E154 PolarHBondContact O-N 3.2Å; E154-M156 PolarHBondContact O-N 3.28Å; E154-Q157 PolarHBondContact O-N 2.77Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 2.93Å |
| 155 | K | 97.8 | Very high | 97.5 | Very high | 140 Ų | 140 | 106.6 Ų | 106.6 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 175.5 | -174 | 178.5 | -179 | -178.8 | 0 | 111.7 | R151 S152 I153 L158 N159 | R151-K155 VanDerWaalsContact O-CB 3.27Å; R151-K155 WeakPolarHBondContact O-CB 3.36Å; R151-K155 PolarHBondContact O-N 2.95Å; S152-K155 PolarHBondContact O-N 3.43Å; I153-K155 VanDerWaalsContact C-N 3.33Å; I153-K155 PolarHBondContact O-N 2.93Å; K155-L158 PolarHBondContact O-N 3.13Å; K155-N159 WeakPolarHBondContact O-CB 3.47Å; K155-N159 VanDerWaalsContact O-CG 3.26Å; K155-N159 PolarHBondContact O-N 3.23Å |
| 156 | M | 97.5 | Very high | 97.5 | Very high | 132 Ų | 132 | 109 Ų | 109 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 176.8 | -173 | -170.8 | -62.7 | 0 | 0 | 111.5 | S152 I153 E154 N159 K160 | S152-M156 WeakPolarHBondContact O-CB 3.42Å; S152-M156 PolarHBondContact O-N 3.27Å; I153-M156 WeakPolarHBondContact O-CB 3.36Å; I153-M156 PolarHBondContact O-N 2.9Å; E154-M156 PolarHBondContact O-N 3.28Å; M156-N159 PolarHBondContact O-N 3.32Å; M156-K160 WeakPolarHBondContact O-CB 3.45Å; M156-K160 PolarHBondContact O-N 2.88Å |
| 157 | Q | 97.6 | Very high | 97.5 | Very high | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.1 | -71.8 | 179.4 | -4.5 | 0 | 0 | 112.1 | I153 E154 K160 R161 | I153-Q157 HydrophobicContact CG2-CG 4.42Å; I153-Q157 WeakPolarHBondContact O-CG 3.45Å; I153-Q157 PolarHBondContact O-N 2.89Å; E154-Q157 PolarHBondContact O-N 2.77Å; Q157-K160 PolarHBondContact O-N 3.32Å; Q157-R161 WeakPolarHBondContact O-CG 3.36Å; Q157-R161 PolarHBondContact O-N 3.21Å |
| 158 | L | 97.5 | Very high | 97.5 | Very high | 87 Ų | 87 | 110 Ų | 110 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.7 | -178.8 | 66 | 0 | 0 | 0 | 111.4 | E154 K155 K160 R161 K162 | E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 2.93Å; K155-L158 PolarHBondContact O-N 3.13Å; L158-K160 VanDerWaalsContact C-N 3.32Å; L158-K160 PolarHBondContact O-N 3.11Å; L158-R161 PolarHBondContact O-N 3.48Å; L158-K162 WeakPolarHBondContact O-CG 3.42Å; L158-K162 PolarHBondContact O-N 2.9Å |
| 159 | N | 97.7 | Very high | 97.5 | Very high | 86 Ų | 86 | 108.6 Ų | 108.6 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.3 | -75.2 | -8.1 | 0 | 0 | 0 | 111.7 | K155 M156 K162 S163 | K155-N159 WeakPolarHBondContact O-CB 3.47Å; K155-N159 VanDerWaalsContact O-CG 3.26Å; K155-N159 PolarHBondContact O-N 3.23Å; M156-N159 PolarHBondContact O-N 3.32Å; N159-K162 PolarHBondContact O-N 3.22Å; N159-S163 WeakPolarHBondContact O-CB 3.24Å; N159-S163 PolarHBondContact O-N 3.49Å |
| 160 | K | 97.5 | Very high | 97.5 | Very high | 142 Ų | 142 | 105.7 Ų | 105.7 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -51 | 174.4 | -174 | 176.6 | 179.3 | 179.3 | 0 | 111.3 | M156 Q157 L158 K162 S163 D164 | M156-K160 WeakPolarHBondContact O-CB 3.45Å; M156-K160 PolarHBondContact O-N 2.88Å; Q157-K160 PolarHBondContact O-N 3.32Å; L158-K160 VanDerWaalsContact C-N 3.32Å; L158-K160 PolarHBondContact O-N 3.11Å; K160-K162 VanDerWaalsContact C-N 3.31Å; K160-K162 PolarHBondContact O-N 3.36Å; K160-S163 WeakPolarHBondContact O-CB 3.44Å; K160-S163 PolarHBondContact O-N 2.89Å; K160-S163 VanDerWaalsContact O-N 3.09Å; K160-D164 PolarHBondContact O-N 3.39Å |
| 161 | R | 97.3 | Very high | 97.5 | Very high | 159 Ų | 159 | 105.8 Ų | 105.8 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 177 | -70.3 | 177.8 | -170.6 | 169.1 | 4.3 | 112.7 | Q157 L158 D164 Q165 | Q157-R161 WeakPolarHBondContact O-CG 3.36Å; Q157-R161 PolarHBondContact O-N 3.21Å; L158-R161 PolarHBondContact O-N 3.48Å; R161-D164 PolarHBondContact O-N 3.01Å; R161-Q165 WeakPolarHBondContact O-CB 3.47Å; R161-Q165 VanDerWaalsContact O-CG 3.26Å; R161-Q165 WeakPolarHBondContact O-CG 3.4Å; R161-Q165 PolarHBondContact O-N 3.28Å |
| 162 | K | 97.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 47% | 0.47 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 175.5 | -75.1 | -177.2 | 176.9 | -173.6 | 0 | 111.8 | L158 N159 K160 Q165 I166 | L158-K162 WeakPolarHBondContact O-CG 3.42Å; L158-K162 PolarHBondContact O-N 2.9Å; N159-K162 PolarHBondContact O-N 3.22Å; K160-K162 VanDerWaalsContact C-N 3.31Å; K160-K162 PolarHBondContact O-N 3.36Å; K162-Q165 PolarHBondContact O-N 3.47Å; K162-I166 WeakPolarHBondContact O-CD1 3.4Å; K162-I166 VanDerWaalsContact O-CG1 3.25Å; K162-I166 WeakPolarHBondContact O-CG1 3.38Å; K162-I166 PolarHBondContact O-N 3.12Å |
| 163 | S | 97.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 101.8 Ų | 101.8 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.6 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | N159 K160 Q165 I166 Q167 | N159-S163 WeakPolarHBondContact O-CB 3.24Å; N159-S163 PolarHBondContact O-N 3.49Å; K160-S163 WeakPolarHBondContact O-CB 3.44Å; K160-S163 PolarHBondContact O-N 2.89Å; K160-S163 VanDerWaalsContact O-N 3.09Å; S163-Q165 VanDerWaalsContact C-N 3.34Å; S163-Q165 PolarHBondContact O-N 2.92Å; S163-I166 PolarHBondContact O-N 3.4Å; S163-Q167 PolarHBondContact O-N 3.17Å |
| 164 | D | 97.5 | Very high | 97.4 | Very high | 71 Ų | 71 | 102.9 Ų | 102.9 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.4 | -61.3 | -19.7 | 0 | 0 | 0 | 110.9 | K160 R161 Q167 V168 | K160-D164 PolarHBondContact O-N 3.39Å; R161-D164 PolarHBondContact O-N 3.01Å; D164-Q167 PolarHBondContact O-N 3.43Å; D164-V168 WeakPolarHBondContact O-CG2 3.39Å; D164-V168 PolarHBondContact O-N 2.92Å |
| 165 | Q | 97.5 | Very high | 97.4 | Very high | 136 Ų | 136 | 104.9 Ų | 104.9 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 174.4 | -77.3 | 174.8 | -8.9 | 0 | 0 | 112.5 | R161 K162 S163 Q167 V168 Q169 | R161-Q165 WeakPolarHBondContact O-CB 3.47Å; R161-Q165 VanDerWaalsContact O-CG 3.26Å; R161-Q165 WeakPolarHBondContact O-CG 3.4Å; R161-Q165 PolarHBondContact O-N 3.28Å; K162-Q165 PolarHBondContact O-N 3.47Å; S163-Q165 VanDerWaalsContact C-N 3.34Å; S163-Q165 PolarHBondContact O-N 2.92Å; Q165-Q167 VanDerWaalsContact C-N 3.32Å; Q165-Q167 PolarHBondContact O-N 2.98Å; Q165-V168 PolarHBondContact O-N 3.31Å; Q165-Q169 WeakPolarHBondContact O-CB 3.41Å; Q165-Q169 PolarHBondContact O-N 2.93Å |
| 166 | I | 97.7 | Very high | 97.3 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.5 | -70.1 | 164.4 | 0 | 0 | 0 | 110.2 | K162 S163 Q169 N170 | K162-I166 WeakPolarHBondContact O-CD1 3.4Å; K162-I166 VanDerWaalsContact O-CG1 3.25Å; K162-I166 WeakPolarHBondContact O-CG1 3.38Å; K162-I166 PolarHBondContact O-N 3.12Å; S163-I166 PolarHBondContact O-N 3.4Å; I166-Q169 PolarHBondContact O-N 3.35Å; I166-N170 WeakPolarHBondContact O-CB 3.44Å; I166-N170 PolarHBondContact O-N 3.35Å; I166-N170 PolarHBondContact O-ND2 2.92Å |
| 167 | Q | 97.3 | Very high | 97.3 | Very high | 104 Ų | 104 | 100.4 Ų | 100.4 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 177.5 | -176.3 | -179.1 | -14.9 | 0 | 0 | 111.7 | S163 D164 Q165 Q169 N170 E171 | S163-Q167 PolarHBondContact O-N 3.17Å; D164-Q167 PolarHBondContact O-N 3.43Å; Q165-Q167 VanDerWaalsContact C-N 3.32Å; Q165-Q167 PolarHBondContact O-N 2.98Å; Q167-Q169 VanDerWaalsContact C-N 3.29Å; Q167-Q169 PolarHBondContact O-N 3.18Å; Q167-N170 PolarHBondContact O-N 3.16Å; Q167-N170 VanDerWaalsContact O-N 3.15Å; Q167-E171 PolarHBondContact NE2-OE1 2.86Å; Q167-E171 WeakPolarHBondContact O-CG 3.29Å; Q167-E171 PolarHBondContact O-N 3.34Å |
| 168 | V | 96.9 | Very high | 97.2 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | D164 Q165 E171 L172 | D164-V168 WeakPolarHBondContact O-CG2 3.39Å; D164-V168 PolarHBondContact O-N 2.92Å; Q165-V168 PolarHBondContact O-N 3.31Å; V168-E171 PolarHBondContact O-N 3.05Å; V168-L172 PolarHBondContact O-N 3.49Å |
| 169 | Q | 97.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.5 | -174.5 | 61.5 | 45.9 | 0 | 0 | 111.9 | Q165 I166 Q167 L172 N173 | Q165-Q169 WeakPolarHBondContact O-CB 3.41Å; Q165-Q169 PolarHBondContact O-N 2.93Å; I166-Q169 PolarHBondContact O-N 3.35Å; Q167-Q169 VanDerWaalsContact C-N 3.29Å; Q167-Q169 PolarHBondContact O-N 3.18Å; Q169-L172 PolarHBondContact O-N 3.13Å; Q169-N173 PolarHBondContact NE2-OD1 2.93Å; Q169-N173 VanDerWaalsContact NE2-OD1 3.15Å; Q169-N173 WeakPolarHBondContact O-CB 3.39Å; Q169-N173 PolarHBondContact O-N 2.93Å; Q169-N173 PolarHBondContact O-ND2 3.43Å |
| 170 | N | 97.3 | Very high | 97 | Very high | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.1 | -72.3 | -18 | 0 | 0 | 0 | 111.7 | I166 Q167 L172 N173 E174 | I166-N170 WeakPolarHBondContact O-CB 3.44Å; I166-N170 PolarHBondContact O-N 3.35Å; I166-N170 PolarHBondContact O-ND2 2.92Å; Q167-N170 PolarHBondContact O-N 3.16Å; Q167-N170 VanDerWaalsContact O-N 3.15Å; N170-L172 VanDerWaalsContact C-N 3.32Å; N170-L172 PolarHBondContact O-N 3.18Å; N170-N173 WeakPolarHBondContact O-CB 3.46Å; N170-N173 PolarHBondContact O-N 3.06Å; N170-E174 PolarHBondContact O-N 3.41Å |
| 171 | E | 97.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.4 | -71.6 | 175.8 | -164.5 | 0 | 0 | 112.1 | Q167 V168 E174 K175 | Q167-E171 PolarHBondContact NE2-OE1 2.86Å; Q167-E171 WeakPolarHBondContact O-CG 3.29Å; Q167-E171 PolarHBondContact O-N 3.34Å; V168-E171 PolarHBondContact O-N 3.05Å; E171-E174 PolarHBondContact O-N 3.38Å; E171-K175 WeakPolarHBondContact O-CG 3.42Å; E171-K175 PolarHBondContact O-N 3.34Å |
| 172 | L | 97.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 100 Ų | 100 | 45% | 0.45 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.3 | -176.6 | 65.2 | 0 | 0 | 0 | 111.5 | V168 Q169 N170 E174 K175 L176 | V168-L172 PolarHBondContact O-N 3.49Å; Q169-L172 PolarHBondContact O-N 3.13Å; N170-L172 VanDerWaalsContact C-N 3.32Å; N170-L172 PolarHBondContact O-N 3.18Å; L172-E174 PolarHBondContact O-N 2.93Å; L172-K175 PolarHBondContact O-N 3.36Å; L172-L176 HydrophobicContact CG-CD1 4.33Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.49Å |
| 173 | N | 97.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 100.7 Ų | 100.7 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.6 | -72.7 | -18.4 | 0 | 0 | 0 | 111.9 | Q169 N170 L176 K177 | Q169-N173 PolarHBondContact NE2-OD1 2.93Å; Q169-N173 VanDerWaalsContact NE2-OD1 3.15Å; Q169-N173 WeakPolarHBondContact O-CB 3.39Å; Q169-N173 PolarHBondContact O-N 2.93Å; Q169-N173 PolarHBondContact O-ND2 3.43Å; N170-N173 WeakPolarHBondContact O-CB 3.46Å; N170-N173 PolarHBondContact O-N 3.06Å; N173-L176 PolarHBondContact O-N 2.97Å; N173-K177 WeakPolarHBondContact O-CB 3.45Å; N173-K177 PolarHBondContact O-N 3.36Å |
| 174 | E | 96.8 | Very high | 96.3 | Very high | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.7 | -72.9 | -55.5 | 128.4 | 0 | 0 | 112.1 | N170 E171 L172 L176 K177 M178 | N170-E174 PolarHBondContact O-N 3.41Å; E171-E174 PolarHBondContact O-N 3.38Å; L172-E174 PolarHBondContact O-N 2.93Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L176 PolarHBondContact O-N 3.19Å; E174-K177 WeakPolarHBondContact O-CB 3.47Å; E174-K177 PolarHBondContact O-N 3.39Å; E174-K177 IonicContact OE2-NZ 3.81Å; E174-M178 WeakPolarHBondContact O-CG 3.25Å; E174-M178 PolarHBondContact O-N 2.9Å |
| 175 | K | 97 | Very high | 96.1 | Very high | 135 Ų | 135 | 104.3 Ų | 104.3 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.7 | -42.7 | 172.6 | -74.4 | 175.4 | -177.3 | 173.3 | 0 | 111.8 | E171 L172 M178 N179 | E171-K175 WeakPolarHBondContact O-CG 3.42Å; E171-K175 PolarHBondContact O-N 3.34Å; L172-K175 PolarHBondContact O-N 3.36Å; K175-M178 PolarHBondContact O-N 3.46Å; K175-N179 WeakPolarHBondContact O-CB 3.5Å; K175-N179 VanDerWaalsContact O-CG 3.24Å; K175-N179 PolarHBondContact O-N 3.41Å; K175-N179 PolarHBondContact O-ND2 2.98Å |
| 176 | L | 96.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 103 Ų | 103 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.2 | -73.2 | 172.7 | 0 | 0 | 0 | 112.1 | L172 N173 E174 N179 R180 | L172-L176 HydrophobicContact CG-CD1 4.33Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.49Å; N173-L176 PolarHBondContact O-N 2.97Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L176 PolarHBondContact O-N 3.19Å; L176-N179 PolarHBondContact O-N 2.95Å; L176-R180 VanDerWaalsContact O-CG 3.29Å; L176-R180 WeakPolarHBondContact O-CG 3.35Å; L176-R180 PolarHBondContact O-N 3.21Å |
| 177 | K | 97.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 99.4 Ų | 99.4 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.1 | -177.5 | -174.6 | 171.6 | -167.7 | 0 | 111.4 | N173 E174 N179 R180 E181 | N173-K177 WeakPolarHBondContact O-CB 3.45Å; N173-K177 PolarHBondContact O-N 3.36Å; E174-K177 WeakPolarHBondContact O-CB 3.47Å; E174-K177 PolarHBondContact O-N 3.39Å; E174-K177 IonicContact OE2-NZ 3.81Å; K177-N179 VanDerWaalsContact C-N 3.3Å; K177-N179 PolarHBondContact O-N 2.93Å; K177-R180 WeakPolarHBondContact O-CB 3.49Å; K177-R180 PolarHBondContact O-N 3.44Å; K177-R180 VanDerWaalsContact O-N 3.13Å; K177-E181 PolarHBondContact O-N 3.31Å |
| 178 | M | 95 | Very high | 95.3 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 47% | 0.468 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 175.9 | -68.2 | -57.6 | -62.6 | 0 | 0 | 112.1 | E174 K175 E181 K182 | E174-M178 WeakPolarHBondContact O-CG 3.25Å; E174-M178 PolarHBondContact O-N 2.9Å; K175-M178 PolarHBondContact O-N 3.46Å; M178-E181 PolarHBondContact O-N 3.03Å; M178-K182 WeakPolarHBondContact O-CG 3.38Å; M178-K182 PolarHBondContact O-N 2.95Å |
| 179 | N | 96 | Very high | 95 | Very high | 82 Ų | 82 | 101.2 Ų | 101.2 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.1 | -74.4 | -14.4 | 0 | 0 | 0 | 112.4 | K175 L176 K177 E181 K182 L183 | K175-N179 WeakPolarHBondContact O-CB 3.5Å; K175-N179 VanDerWaalsContact O-CG 3.24Å; K175-N179 PolarHBondContact O-N 3.41Å; K175-N179 PolarHBondContact O-ND2 2.98Å; L176-N179 PolarHBondContact O-N 2.95Å; K177-N179 VanDerWaalsContact C-N 3.3Å; K177-N179 PolarHBondContact O-N 2.93Å; N179-E181 VanDerWaalsContact C-N 3.33Å; N179-E181 PolarHBondContact O-N 3.48Å; N179-K182 PolarHBondContact O-N 2.91Å; N179-L183 WeakPolarHBondContact O-CG 3.39Å; N179-L183 PolarHBondContact O-N 3Å |
| 180 | R | 95.2 | Very high | 94.9 | Very high | 171 Ų | 171 | 102 Ų | 102 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 174.6 | -72.9 | 169.7 | -178 | 179.5 | 1.8 | 111.6 | L176 K177 L183 K184 | L176-R180 VanDerWaalsContact O-CG 3.29Å; L176-R180 WeakPolarHBondContact O-CG 3.35Å; L176-R180 PolarHBondContact O-N 3.21Å; K177-R180 WeakPolarHBondContact O-CB 3.49Å; K177-R180 PolarHBondContact O-N 3.44Å; K177-R180 VanDerWaalsContact O-N 3.13Å; R180-L183 PolarHBondContact O-N 3.36Å; R180-K184 WeakPolarHBondContact O-CG 3.37Å; R180-K184 PolarHBondContact O-N 3.37Å |
| 181 | E | 94.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 104.3 Ų | 104.3 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.2 | -71.2 | 175.7 | -176.4 | 0 | 0 | 111.8 | K177 M178 N179 L183 K184 S185 | K177-E181 PolarHBondContact O-N 3.31Å; M178-E181 PolarHBondContact O-N 3.03Å; N179-E181 VanDerWaalsContact C-N 3.33Å; N179-E181 PolarHBondContact O-N 3.48Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.47Å; E181-K184 WeakPolarHBondContact O-CB 3.26Å; E181-K184 PolarHBondContact O-N 3.38Å; E181-S185 PolarHBondContact O-N 3.15Å |
| 182 | K | 94.2 | Very high | 94.4 | Very high | 123 Ų | 123 | 105.4 Ų | 105.4 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 173.2 | -73.6 | 178.6 | 179.5 | -178.8 | 0 | 112.5 | M178 N179 K184 S185 L186 | M178-K182 WeakPolarHBondContact O-CG 3.38Å; M178-K182 PolarHBondContact O-N 2.95Å; N179-K182 PolarHBondContact O-N 2.91Å; K182-K184 VanDerWaalsContact C-N 3.35Å; K182-S185 WeakPolarHBondContact CA-OG 3.43Å; K182-S185 PolarHBondContact O-N 3.23Å; K182-S185 PolarHBondContact O-OG 3.22Å; K182-L186 WeakPolarHBondContact O-CB 3.47Å; K182-L186 VanDerWaalsContact O-CG 3.24Å; K182-L186 WeakPolarHBondContact O-CG 3.48Å; K182-L186 PolarHBondContact O-N 2.91Å |
| 183 | L | 94.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 104.6 Ų | 104.6 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 176.7 | -75.3 | 171.6 | 0 | 0 | 0 | 111.9 | N179 R180 E181 G187 | N179-L183 WeakPolarHBondContact O-CG 3.39Å; N179-L183 PolarHBondContact O-N 3Å; R180-L183 PolarHBondContact O-N 3.36Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.47Å; L183-G187 PolarHBondContact O-N 2.96Å |
| 184 | K | 93 | Very high | 93.9 | Very high | 149 Ų | 149 | 106.8 Ų | 106.8 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 174 | -72.8 | 175.6 | -179.6 | -178.3 | 0 | 111.6 | R180 E181 K182 G187 N188 | R180-K184 WeakPolarHBondContact O-CG 3.37Å; R180-K184 PolarHBondContact O-N 3.37Å; E181-K184 WeakPolarHBondContact O-CB 3.26Å; E181-K184 PolarHBondContact O-N 3.38Å; K182-K184 VanDerWaalsContact C-N 3.35Å; K184-G187 PolarHBondContact O-N 2.91Å; K184-N188 PolarHBondContact O-N 3.37Å |
| 185 | S | 92.7 | Very high | 93.7 | Very high | 69 Ų | 69 | 106.2 Ų | 106.2 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 178.8 | 66.4 | 0 | 0 | 0 | 0 | 112 | E181 K182 N188 Y189 | E181-S185 PolarHBondContact O-N 3.15Å; K182-S185 WeakPolarHBondContact CA-OG 3.43Å; K182-S185 PolarHBondContact O-N 3.23Å; K182-S185 PolarHBondContact O-OG 3.22Å; S185-N188 PolarHBondContact O-N 3.45Å; S185-Y189 WeakPolarHBondContact O-CB 3.48Å; S185-Y189 PolarHBondContact O-N 3.37Å |
| 186 | L | 92.4 | Very high | 93.4 | Very high | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 174.3 | -72.6 | 171.9 | 0 | 0 | 0 | 112 | K182 N188 Y189 Q190 | K182-L186 WeakPolarHBondContact O-CB 3.47Å; K182-L186 VanDerWaalsContact O-CG 3.24Å; K182-L186 WeakPolarHBondContact O-CG 3.48Å; K182-L186 PolarHBondContact O-N 2.91Å; L186-N188 VanDerWaalsContact C-N 3.32Å; L186-N188 PolarHBondContact O-N 3.15Å; L186-Y189 PolarHBondContact O-N 2.97Å; L186-Q190 PolarHBondContact O-N 3.45Å |
| 187 | G | 90.8 | Very high | 93 | Very high | 27 Ų | 27 | 106.4 Ų | 106.4 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L183 K184 K191 | L183-G187 PolarHBondContact O-N 2.96Å; K184-G187 PolarHBondContact O-N 2.91Å; G187-K191 WeakPolarHBondContact O-CG 3.4Å; G187-K191 PolarHBondContact O-N 3.45Å |
| 188 | N | 92 | Very high | 92.8 | Very high | 87 Ų | 87 | 110 Ų | 110 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 174.6 | -72 | -13.9 | 0 | 0 | 0 | 111.9 | K184 S185 L186 Q190 K191 H192 | K184-N188 PolarHBondContact O-N 3.37Å; S185-N188 PolarHBondContact O-N 3.45Å; L186-N188 VanDerWaalsContact C-N 3.32Å; L186-N188 PolarHBondContact O-N 3.15Å; N188-Q190 VanDerWaalsContact C-N 3.31Å; N188-Q190 PolarHBondContact O-N 3.09Å; N188-K191 WeakPolarHBondContact O-CB 3.48Å; N188-K191 PolarHBondContact O-N 3.28Å; N188-K191 VanDerWaalsContact O-N 3.12Å; N188-H192 PolarHBondContact O-CD2 3.41Å; N188-H192 PolarHBondContact O-N 3.5Å |
| 189 | Y | 92 | Very high | 92.6 | Very high | 150 Ų | 150 | 110.4 Ų | 110.4 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.9 | -43.8 | 175.8 | -177.4 | -105.2 | 0 | 0 | 0 | 111.7 | S185 L186 K191 H192 L193 | S185-Y189 WeakPolarHBondContact O-CB 3.48Å; S185-Y189 PolarHBondContact O-N 3.37Å; L186-Y189 PolarHBondContact O-N 2.97Å; Y189-K191 VanDerWaalsContact C-N 3.32Å; Y189-K191 PolarHBondContact O-N 2.98Å; Y189-H192 PolarHBondContact O-N 2.88Å; Y189-H192 VanDerWaalsContact O-N 3.17Å; Y189-L193 HydrophobicContact CD1-CD1 3.8Å; Y189-L193 HydrophobicContact CD1-CG 4.22Å; Y189-L193 HydrophobicContact CE1-CD1 3.38Å; Y189-L193 HydrophobicContact CE1-CD2 4.3Å; Y189-L193 HydrophobicContact CE1-CG 3.87Å; Y189-L193 PolarHBondContact O-N 2.96Å |
| 190 | Q | 93.9 | Very high | 92.2 | Very high | 112 Ų | 112 | 109.9 Ų | 109.9 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.6 | -168.7 | -176.1 | 13.7 | 0 | 0 | 112.7 | L186 N188 L193 K194 | L186-Q190 PolarHBondContact O-N 3.45Å; N188-Q190 VanDerWaalsContact C-N 3.31Å; N188-Q190 PolarHBondContact O-N 3.09Å; Q190-L193 PolarHBondContact O-N 2.94Å; Q190-K194 PolarHBondContact O-N 2.98Å; Q190-K194 VanDerWaalsContact O-N 3.16Å |
| 191 | K | 92.7 | Very high | 91.9 | Very high | 137 Ų | 137 | 107.7 Ų | 107.7 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 173.7 | -71.5 | 174.6 | -178.4 | 176.9 | 0 | 111.4 | G187 N188 Y189 K194 I195 | G187-K191 WeakPolarHBondContact O-CG 3.4Å; G187-K191 PolarHBondContact O-N 3.45Å; N188-K191 WeakPolarHBondContact O-CB 3.48Å; N188-K191 PolarHBondContact O-N 3.28Å; N188-K191 VanDerWaalsContact O-N 3.12Å; Y189-K191 VanDerWaalsContact C-N 3.32Å; Y189-K191 PolarHBondContact O-N 2.98Å; K191-K194 PolarHBondContact O-N 3.32Å; K191-I195 WeakPolarHBondContact O-CG1 3.41Å; K191-I195 PolarHBondContact O-N 3.49Å; K191-I195 VanDerWaalsContact O-N 3.11Å |
| 192 | H | 91.6 | Very high | 91.7 | Very high | 117 Ų | 117 | 107.8 Ų | 107.8 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.8 | -78 | -69.4 | 0 | 0 | 0 | 112.4 | N188 Y189 K194 I195 N196 | N188-H192 PolarHBondContact O-CD2 3.41Å; N188-H192 PolarHBondContact O-N 3.5Å; Y189-H192 PolarHBondContact O-N 2.88Å; Y189-H192 VanDerWaalsContact O-N 3.17Å; H192-K194 PolarHBondContact O-N 2.92Å; H192-I195 PolarHBondContact O-N 3.36Å; H192-N196 PolarHBondContact O-N 3.47Å |
| 193 | L | 91.7 | Very high | 91.7 | Very high | 69 Ų | 69 | 104.5 Ų | 104.5 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 174.6 | -76.1 | 177.4 | 0 | 0 | 0 | 111.9 | Y189 Q190 I195 N196 E197 | Y189-L193 HydrophobicContact CD1-CD1 3.8Å; Y189-L193 HydrophobicContact CD1-CG 4.22Å; Y189-L193 HydrophobicContact CE1-CD1 3.38Å; Y189-L193 HydrophobicContact CE1-CD2 4.3Å; Y189-L193 HydrophobicContact CE1-CG 3.87Å; Y189-L193 PolarHBondContact O-N 2.96Å; Q190-L193 PolarHBondContact O-N 2.94Å; L193-I195 VanDerWaalsContact C-N 3.29Å; L193-I195 PolarHBondContact O-N 3.18Å; L193-N196 PolarHBondContact O-N 3.38Å; L193-N196 VanDerWaalsContact O-N 3.13Å; L193-E197 WeakPolarHBondContact O-CG 3.44Å; L193-E197 PolarHBondContact O-N 2.92Å |
| 194 | K | 92.2 | Very high | 91.4 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 177.5 | -72.2 | -179.5 | 178.1 | -177.5 | 0 | 113 | Q190 K191 H192 R198 | Q190-K194 PolarHBondContact O-N 2.98Å; Q190-K194 VanDerWaalsContact O-N 3.16Å; K191-K194 PolarHBondContact O-N 3.32Å; H192-K194 PolarHBondContact O-N 2.92Å; K194-R198 WeakPolarHBondContact O-CG 3.27Å; K194-R198 PolarHBondContact O-N 2.95Å |
| 195 | I | 92.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 175.4 | -68.3 | 166.6 | 0 | 0 | 0 | 109.9 | K191 H192 L193 E197 R198 L199 | K191-I195 WeakPolarHBondContact O-CG1 3.41Å; K191-I195 PolarHBondContact O-N 3.49Å; K191-I195 VanDerWaalsContact O-N 3.11Å; H192-I195 PolarHBondContact O-N 3.36Å; L193-I195 VanDerWaalsContact C-N 3.29Å; L193-I195 PolarHBondContact O-N 3.18Å; I195-E197 PolarHBondContact O-N 3.36Å; I195-R198 PolarHBondContact O-N 3.34Å; I195-L199 HydrophobicContact CG2-CD1 3.94Å; I195-L199 HydrophobicContact CG2-CG 4.39Å; I195-L199 WeakPolarHBondContact O-CG 3.39Å; I195-L199 PolarHBondContact O-N 2.89Å |
| 196 | N | 91.1 | Very high | 91.4 | Very high | 88 Ų | 88 | 104.8 Ų | 104.8 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 179.1 | -73.7 | -9.5 | 0 | 0 | 0 | 112.7 | H192 L193 L199 S200 | H192-N196 PolarHBondContact O-N 3.47Å; L193-N196 PolarHBondContact O-N 3.38Å; L193-N196 VanDerWaalsContact O-N 3.13Å; N196-L199 PolarHBondContact O-N 3Å; N196-S200 WeakPolarHBondContact O-CB 3.46Å; N196-S200 PolarHBondContact O-N 3.43Å; N196-S200 PolarHBondContact O-OG 2.9Å |
| 197 | E | 89.3 | Confident | 91.4 | Very high | 127 Ų | 127 | 105.7 Ų | 105.7 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.5 | -50.5 | 173.8 | -75.9 | 170.6 | 174 | 0 | 0 | 110.8 | L193 I195 L199 S200 E201 | L193-E197 WeakPolarHBondContact O-CG 3.44Å; L193-E197 PolarHBondContact O-N 2.92Å; I195-E197 PolarHBondContact O-N 3.36Å; E197-L199 PolarHBondContact O-N 3.41Å; E197-S200 PolarHBondContact O-N 2.92Å; E197-E201 WeakPolarHBondContact O-CB 3.37Å; E197-E201 PolarHBondContact O-N 3.14Å |
| 198 | R | 91.6 | Very high | 91.6 | Very high | 176 Ų | 176 | 109.2 Ų | 109.2 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 177.4 | -72 | 175.9 | 179 | -171.9 | -1.7 | 112.7 | K194 I195 S200 N202 | K194-R198 WeakPolarHBondContact O-CG 3.27Å; K194-R198 PolarHBondContact O-N 2.95Å; I195-R198 PolarHBondContact O-N 3.34Å; R198-S200 VanDerWaalsContact C-N 3.33Å; R198-N202 VanDerWaalsContact O-CB 3.29Å; R198-N202 WeakPolarHBondContact O-CB 3.33Å; R198-N202 PolarHBondContact O-N 3.31Å; R198-N202 PolarHBondContact O-ND2 3.44Å |
| 199 | L | 90.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 113.9 Ų | 113.9 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.9 | -71.6 | 173.6 | 0 | 0 | 0 | 111.6 | I195 N196 E197 S203 | I195-L199 HydrophobicContact CG2-CD1 3.94Å; I195-L199 HydrophobicContact CG2-CG 4.39Å; I195-L199 WeakPolarHBondContact O-CG 3.39Å; I195-L199 PolarHBondContact O-N 2.89Å; N196-L199 PolarHBondContact O-N 3Å; E197-L199 PolarHBondContact O-N 3.41Å; L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 3.36Å |
| 200 | S | 88.5 | Confident | 91.8 | Very high | 72 Ų | 72 | 110.7 Ų | 110.7 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | N196 E197 R198 S203 M204 | N196-S200 WeakPolarHBondContact O-CB 3.46Å; N196-S200 PolarHBondContact O-N 3.43Å; N196-S200 PolarHBondContact O-OG 2.9Å; E197-S200 PolarHBondContact O-N 2.92Å; R198-S200 VanDerWaalsContact C-N 3.33Å; S200-S203 WeakPolarHBondContact O-CB 3.36Å; S200-S203 PolarHBondContact O-N 2.89Å; S200-M204 WeakPolarHBondContact O-CG 3.38Å; S200-M204 PolarHBondContact O-N 3.4Å |
| 201 | E | 88.7 | Confident | 92 | Very high | 124 Ų | 124 | 109.2 Ų | 109.2 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 175.9 | -168.1 | 176.8 | -167.4 | 0 | 0 | 111.5 | E197 S203 M204 N205 | E197-E201 WeakPolarHBondContact O-CB 3.37Å; E197-E201 PolarHBondContact O-N 3.14Å; E201-S203 VanDerWaalsContact C-N 3.34Å; E201-S203 PolarHBondContact O-N 3.4Å; E201-M204 PolarHBondContact O-N 3.28Å; E201-N205 WeakPolarHBondContact O-CB 3.4Å; E201-N205 VanDerWaalsContact O-CG 3.23Å; E201-N205 PolarHBondContact O-N 2.91Å; E201-N205 PolarHBondContact O-ND2 3.07Å |
| 202 | N | 91.1 | Very high | 92.2 | Very high | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174 | -75.9 | -20.4 | 0 | 0 | 0 | 112.6 | R198 N205 Y206 | R198-N202 VanDerWaalsContact O-CB 3.29Å; R198-N202 WeakPolarHBondContact O-CB 3.33Å; R198-N202 PolarHBondContact O-N 3.31Å; R198-N202 PolarHBondContact O-ND2 3.44Å; N202-N205 PolarHBondContact O-N 3.29Å; N202-Y206 VanDerWaalsContact O-CB 3.32Å; N202-Y206 WeakPolarHBondContact O-CB 2.95Å; N202-Y206 PolarHBondContact O-N 3.01Å |
| 203 | S | 92.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 109.8 Ų | 109.8 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.8 | 165.3 | 0 | 0 | 0 | 0 | 111.7 | L199 S200 E201 Y206 K207 | L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 3.36Å; S200-S203 WeakPolarHBondContact O-CB 3.36Å; S200-S203 PolarHBondContact O-N 2.89Å; E201-S203 VanDerWaalsContact C-N 3.34Å; E201-S203 PolarHBondContact O-N 3.4Å; S203-Y206 PolarHBondContact O-N 3Å; S203-K207 WeakPolarHBondContact O-CG 3.34Å; S203-K207 PolarHBondContact O-N 2.91Å |
| 204 | M | 88.6 | Confident | 92.6 | Very high | 118 Ų | 118 | 111.8 Ų | 111.8 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 176.6 | -69.1 | -56.5 | -67.2 | 0 | 0 | 111.6 | S200 E201 Y206 K207 Q208 | S200-M204 WeakPolarHBondContact O-CG 3.38Å; S200-M204 PolarHBondContact O-N 3.4Å; E201-M204 PolarHBondContact O-N 3.28Å; M204-Y206 VanDerWaalsContact C-N 3.3Å; M204-Y206 PolarHBondContact O-N 3.41Å; M204-K207 PolarHBondContact O-N 2.87Å; M204-K207 HydrophobicContact SD-CD 4.48Å; M204-Q208 WeakPolarHBondContact O-CB 3.49Å; M204-Q208 PolarHBondContact O-N 3.47Å |
| 205 | N | 92.1 | Very high | 92.8 | Very high | 78 Ų | 78 | 109.6 Ų | 109.6 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 174.6 | -73.7 | -25.4 | 0 | 0 | 0 | 111.9 | E201 N202 Q208 R209 | E201-N205 WeakPolarHBondContact O-CB 3.4Å; E201-N205 VanDerWaalsContact O-CG 3.23Å; E201-N205 PolarHBondContact O-N 2.91Å; E201-N205 PolarHBondContact O-ND2 3.07Å; N202-N205 PolarHBondContact O-N 3.29Å; N205-Q208 PolarHBondContact O-N 3.42Å; N205-R209 WeakPolarHBondContact O-CG 3.47Å; N205-R209 PolarHBondContact O-N 2.9Å |
| 206 | Y | 92.5 | Very high | 93.1 | Very high | 149 Ų | 149 | 110.6 Ų | 110.6 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -46.6 | 175.9 | -178.9 | -103.8 | 0 | 0 | 0 | 112 | N202 S203 M204 Q208 R209 L210 | N202-Y206 VanDerWaalsContact O-CB 3.32Å; N202-Y206 WeakPolarHBondContact O-CB 2.95Å; N202-Y206 PolarHBondContact O-N 3.01Å; S203-Y206 PolarHBondContact O-N 3Å; M204-Y206 VanDerWaalsContact C-N 3.3Å; M204-Y206 PolarHBondContact O-N 3.41Å; Y206-Q208 VanDerWaalsContact C-N 3.31Å; Y206-Q208 PolarHBondContact O-N 2.94Å; Y206-R209 PolarHBondContact O-N 3.26Å; Y206-L210 HydrophobicContact CD1-CD1 3.92Å; Y206-L210 HydrophobicContact CD1-CG 4.42Å; Y206-L210 HydrophobicContact CE1-CD1 3.37Å; Y206-L210 HydrophobicContact CE1-CG 4.02Å; Y206-L210 PolarHBondContact O-N 2.88Å |
| 207 | K | 93.6 | Very high | 93.3 | Very high | 127 Ų | 127 | 110.5 Ų | 110.5 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.2 | -42.7 | 174.8 | -74.3 | -179.6 | -179 | -175.6 | 0 | 111.9 | S203 M204 R209 L210 L211 | S203-K207 WeakPolarHBondContact O-CG 3.34Å; S203-K207 PolarHBondContact O-N 2.91Å; M204-K207 PolarHBondContact O-N 2.87Å; M204-K207 HydrophobicContact SD-CD 4.48Å; K207-R209 PolarHBondContact O-N 3.17Å; K207-L210 PolarHBondContact O-N 3.35Å; K207-L211 PolarHBondContact O-N 3.46Å |
| 208 | Q | 94.7 | Very high | 93.7 | Very high | 100 Ų | 100 | 110 Ų | 110 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.1 | -170.3 | 62.6 | 41.7 | 0 | 0 | 112 | M204 N205 Y206 L210 L211 N212 | M204-Q208 WeakPolarHBondContact O-CB 3.49Å; M204-Q208 PolarHBondContact O-N 3.47Å; N205-Q208 PolarHBondContact O-N 3.42Å; Y206-Q208 VanDerWaalsContact C-N 3.31Å; Y206-Q208 PolarHBondContact O-N 2.94Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 2.99Å; Q208-L211 PolarHBondContact O-N 2.92Å; Q208-N212 PolarHBondContact NE2-OD1 3.02Å; Q208-N212 WeakPolarHBondContact O-CB 3.32Å; Q208-N212 PolarHBondContact O-N 2.99Å; Q208-N212 PolarHBondContact O-OD1 3.44Å |
| 209 | R | 93.8 | Very high | 94 | Very high | 186 Ų | 186 | 107.5 Ų | 107.5 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 175.6 | -73.5 | 178.6 | -169.2 | -176.5 | 4.3 | 112.3 | N205 Y206 K207 R213 | N205-R209 WeakPolarHBondContact O-CG 3.47Å; N205-R209 PolarHBondContact O-N 2.9Å; Y206-R209 PolarHBondContact O-N 3.26Å; K207-R209 PolarHBondContact O-N 3.17Å; R209-R213 WeakPolarHBondContact O-CB 3.5Å; R209-R213 PolarHBondContact O-N 3.36Å |
| 210 | L | 95.2 | Very high | 94.3 | Very high | 82 Ų | 82 | 108.1 Ų | 108.1 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.2 | -73.6 | 178.5 | 0 | 0 | 0 | 111.3 | Y206 K207 Q208 N212 R213 E214 | Y206-L210 HydrophobicContact CD1-CD1 3.92Å; Y206-L210 HydrophobicContact CD1-CG 4.42Å; Y206-L210 HydrophobicContact CE1-CD1 3.37Å; Y206-L210 HydrophobicContact CE1-CG 4.02Å; Y206-L210 PolarHBondContact O-N 2.88Å; K207-L210 PolarHBondContact O-N 3.35Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 2.99Å; L210-N212 PolarHBondContact O-N 3.44Å; L210-R213 WeakPolarHBondContact O-CB 3.35Å; L210-R213 PolarHBondContact O-N 3.02Å; L210-R213 VanDerWaalsContact O-N 3.15Å; L210-E214 PolarHBondContact O-N 2.92Å |
| 211 | L | 96.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 107.7 Ų | 107.7 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 177.4 | -177.8 | 65.1 | 0 | 0 | 0 | 111.6 | K207 Q208 R213 E214 I215 | K207-L211 PolarHBondContact O-N 3.46Å; Q208-L211 PolarHBondContact O-N 2.92Å; L211-R213 VanDerWaalsContact C-N 3.26Å; L211-R213 PolarHBondContact O-N 2.94Å; L211-E214 WeakPolarHBondContact O-CB 3.49Å; L211-E214 PolarHBondContact O-N 3.13Å; L211-I215 HydrophobicContact CD1-CD1 4.5Å; L211-I215 HydrophobicContact CG-CD1 4.17Å; L211-I215 WeakPolarHBondContact O-CG1 3.34Å; L211-I215 PolarHBondContact O-N 3.34Å |
| 212 | N | 96.3 | Very high | 95.1 | Very high | 89 Ų | 89 | 106.5 Ų | 106.5 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 177.2 | -68.9 | -2.4 | 0 | 0 | 0 | 111.9 | Q208 L210 F216 | Q208-N212 PolarHBondContact NE2-OD1 3.02Å; Q208-N212 WeakPolarHBondContact O-CB 3.32Å; Q208-N212 PolarHBondContact O-N 2.99Å; Q208-N212 PolarHBondContact O-OD1 3.44Å; L210-N212 PolarHBondContact O-N 3.44Å; N212-F216 PolarHBondContact O-N 2.97Å; N212-F216 VanDerWaalsContact O-N 3.1Å |
| 213 | R | 95.8 | Very high | 95.4 | Very high | 177 Ų | 177 | 106.9 Ų | 106.9 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.8 | -38.5 | 176.8 | -175.5 | 173.1 | -176.9 | 167.2 | 0.7 | 112.1 | R209 L210 L211 F216 I217 | R209-R213 WeakPolarHBondContact O-CB 3.5Å; R209-R213 PolarHBondContact O-N 3.36Å; L210-R213 WeakPolarHBondContact O-CB 3.35Å; L210-R213 PolarHBondContact O-N 3.02Å; L210-R213 VanDerWaalsContact O-N 3.15Å; L211-R213 VanDerWaalsContact C-N 3.26Å; L211-R213 PolarHBondContact O-N 2.94Å; R213-F216 PolarHBondContact O-N 3.17Å; R213-I217 HydrophobicContact CG-CD1 4.14Å; R213-I217 VanDerWaalsContact O-CG1 3.29Å; R213-I217 WeakPolarHBondContact O-CG1 3.43Å; R213-I217 PolarHBondContact O-N 3.05Å |
| 214 | E | 97.1 | Very high | 95.7 | Very high | 110 Ų | 110 | 109.7 Ų | 109.7 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.9 | -173.2 | 175.1 | -177.6 | 0 | 0 | 111.2 | L210 L211 F216 I217 Q218 | L210-E214 PolarHBondContact O-N 2.92Å; L211-E214 WeakPolarHBondContact O-CB 3.49Å; L211-E214 PolarHBondContact O-N 3.13Å; E214-F216 VanDerWaalsContact C-N 3.34Å; E214-F216 PolarHBondContact O-N 2.93Å; E214-I217 PolarHBondContact O-N 3.42Å; E214-I217 VanDerWaalsContact O-N 3.16Å; E214-Q218 WeakPolarHBondContact O-CG 3.45Å; E214-Q218 PolarHBondContact O-N 3.3Å |
| 215 | I | 97.2 | Very high | 96.1 | Very high | 71 Ų | 71 | 107.8 Ų | 107.8 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 174.8 | -66.7 | 166.8 | 0 | 0 | 0 | 110.5 | L211 I217 Q218 E219 | L211-I215 HydrophobicContact CD1-CD1 4.5Å; L211-I215 HydrophobicContact CG-CD1 4.17Å; L211-I215 WeakPolarHBondContact O-CG1 3.34Å; L211-I215 PolarHBondContact O-N 3.34Å; I215-I217 VanDerWaalsContact C-N 3.3Å; I215-I217 PolarHBondContact O-N 3.14Å; I215-Q218 WeakPolarHBondContact O-CB 3.47Å; I215-Q218 PolarHBondContact O-N 3.32Å; I215-Q218 VanDerWaalsContact O-N 3.15Å; I215-E219 WeakPolarHBondContact O-CG 3.28Å; I215-E219 PolarHBondContact O-N 2.92Å |
| 216 | F | 97.3 | Very high | 96.4 | Very high | 110 Ų | 110 | 108.3 Ų | 108.3 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.5 | 175.7 | -96.4 | 0 | 0 | 0 | 112.8 | N212 R213 E214 E219 K220 | N212-F216 PolarHBondContact O-N 2.97Å; N212-F216 VanDerWaalsContact O-N 3.1Å; R213-F216 PolarHBondContact O-N 3.17Å; E214-F216 VanDerWaalsContact C-N 3.34Å; E214-F216 PolarHBondContact O-N 2.93Å; F216-E219 PolarHBondContact O-N 3.5Å; F216-K220 HydrophobicContact CD1-CG 4.43Å; F216-K220 HydrophobicContact CE1-CG 4.01Å; F216-K220 HydrophobicContact CE2-CG 4.39Å; F216-K220 HydrophobicContact CZ-CD 4.38Å; F216-K220 VanDerWaalsContact CZ-CE 3.47Å; F216-K220 HydrophobicContact CZ-CG 4Å; F216-K220 WeakPolarHBondContact O-CG 3.35Å; F216-K220 PolarHBondContact O-N 2.9Å; F216-K220 VanDerWaalsContact O-N 3.08Å |
| 217 | I | 96.6 | Very high | 96.7 | Very high | 87 Ų | 87 | 105 Ų | 105 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.7 | -70 | 166.1 | 0 | 0 | 0 | 110.2 | R213 E214 I215 E219 K220 C221 | R213-I217 HydrophobicContact CG-CD1 4.14Å; R213-I217 VanDerWaalsContact O-CG1 3.29Å; R213-I217 WeakPolarHBondContact O-CG1 3.43Å; R213-I217 PolarHBondContact O-N 3.05Å; E214-I217 PolarHBondContact O-N 3.42Å; E214-I217 VanDerWaalsContact O-N 3.16Å; I215-I217 VanDerWaalsContact C-N 3.3Å; I215-I217 PolarHBondContact O-N 3.14Å; I217-E219 VanDerWaalsContact C-N 3.34Å; I217-E219 PolarHBondContact O-N 3.47Å; I217-K220 PolarHBondContact O-N 3.19Å; I217-C221 WeakPolarHBondContact O-CB 3.49Å; I217-C221 PolarHBondContact O-N 3.01Å; I217-C221 PolarHBondContact O-SG 2.93Å; I217-C221 VanDerWaalsContact O-SG 3.39Å |
| 218 | Q | 97.3 | Very high | 96.9 | Very high | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 177.2 | -71.4 | 176 | -0.9 | 0 | 0 | 111.7 | E214 I215 K220 C221 Q222 | E214-Q218 WeakPolarHBondContact O-CG 3.45Å; E214-Q218 PolarHBondContact O-N 3.3Å; I215-Q218 WeakPolarHBondContact O-CB 3.47Å; I215-Q218 PolarHBondContact O-N 3.32Å; I215-Q218 VanDerWaalsContact O-N 3.15Å; Q218-K220 PolarHBondContact O-N 2.96Å; Q218-C221 PolarHBondContact O-N 3.36Å; Q218-Q222 WeakPolarHBondContact O-CB 3.3Å; Q218-Q222 PolarHBondContact O-N 2.91Å |
| 219 | E | 97.4 | Very high | 97 | Very high | 123 Ų | 123 | 104.3 Ų | 104.3 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 175.7 | -71.8 | 177 | 169.8 | 0 | 0 | 112.3 | I215 F216 I217 Q222 H223 | I215-E219 WeakPolarHBondContact O-CG 3.28Å; I215-E219 PolarHBondContact O-N 2.92Å; F216-E219 PolarHBondContact O-N 3.5Å; I217-E219 VanDerWaalsContact C-N 3.34Å; I217-E219 PolarHBondContact O-N 3.47Å; E219-Q222 PolarHBondContact O-N 3.42Å; E219-H223 WeakPolarHBondContact O-CB 3.32Å; E219-H223 PolarHBondContact O-N 3.32Å |
| 220 | K | 97.4 | Very high | 97.2 | Very high | 117 Ų | 117 | 103.2 Ų | 103.2 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 177.2 | -70.3 | -62 | -178.2 | -171.4 | 0 | 112.3 | F216 I217 Q218 H223 L224 | F216-K220 HydrophobicContact CD1-CG 4.43Å; F216-K220 HydrophobicContact CE1-CG 4.01Å; F216-K220 HydrophobicContact CE2-CG 4.39Å; F216-K220 HydrophobicContact CZ-CD 4.38Å; F216-K220 VanDerWaalsContact CZ-CE 3.47Å; F216-K220 HydrophobicContact CZ-CG 4Å; F216-K220 WeakPolarHBondContact O-CG 3.35Å; F216-K220 PolarHBondContact O-N 2.9Å; F216-K220 VanDerWaalsContact O-N 3.08Å; I217-K220 PolarHBondContact O-N 3.19Å; Q218-K220 PolarHBondContact O-N 2.96Å; K220-H223 PolarHBondContact O-N 2.91Å; K220-L224 WeakPolarHBondContact O-CG 3.45Å; K220-L224 PolarHBondContact O-N 3.5Å |
| 221 | C | 97.5 | Very high | 97.3 | Very high | 64 Ų | 64 | 102.9 Ų | 102.9 | 43% | 0.432 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.1 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | I217 Q218 H223 L224 I225 | I217-C221 WeakPolarHBondContact O-CB 3.49Å; I217-C221 PolarHBondContact O-N 3.01Å; I217-C221 PolarHBondContact O-SG 2.93Å; I217-C221 VanDerWaalsContact O-SG 3.39Å; Q218-C221 PolarHBondContact O-N 3.36Å; C221-H223 VanDerWaalsContact C-N 3.32Å; C221-H223 PolarHBondContact O-N 3.39Å; C221-L224 WeakPolarHBondContact O-CB 3.34Å; C221-L224 PolarHBondContact O-N 3.38Å; C221-I225 WeakPolarHBondContact O-CG1 3.37Å; C221-I225 PolarHBondContact O-N 3.26Å |
| 222 | Q | 97.3 | Very high | 97.4 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 176.7 | -172.4 | 59 | 48.1 | 0 | 0 | 111.8 | Q218 E219 L224 I225 N226 | Q218-Q222 WeakPolarHBondContact O-CB 3.3Å; Q218-Q222 PolarHBondContact O-N 2.91Å; E219-Q222 PolarHBondContact O-N 3.42Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 3.16Å; Q222-I225 PolarHBondContact O-N 3.48Å; Q222-N226 PolarHBondContact NE2-OD1 3.37Å; Q222-N226 VanDerWaalsContact NE2-OD1 3.15Å; Q222-N226 VanDerWaalsContact O-CG 3.23Å; Q222-N226 PolarHBondContact O-N 3.36Å; Q222-N226 PolarHBondContact O-OD1 2.89Å |
| 223 | H | 97.5 | Very high | 97.4 | Very high | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.8 | -173.3 | -68.9 | 0 | 0 | 0 | 112.1 | E219 K220 C221 N226 L227 | E219-H223 WeakPolarHBondContact O-CB 3.32Å; E219-H223 PolarHBondContact O-N 3.32Å; K220-H223 PolarHBondContact O-N 2.91Å; C221-H223 VanDerWaalsContact C-N 3.32Å; C221-H223 PolarHBondContact O-N 3.39Å; H223-N226 PolarHBondContact O-N 3.28Å; H223-L227 WeakPolarHBondContact O-CG 3.44Å; H223-L227 PolarHBondContact O-N 2.98Å |
| 224 | L | 97.7 | Very high | 97.5 | Very high | 111 Ų | 111 | 98.2 Ų | 98.2 | 58% | 0.581 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 176.8 | -72 | 172.2 | 0 | 0 | 0 | 112 | K220 C221 Q222 N226 L227 Q228 | K220-L224 WeakPolarHBondContact O-CG 3.45Å; K220-L224 PolarHBondContact O-N 3.5Å; C221-L224 WeakPolarHBondContact O-CB 3.34Å; C221-L224 PolarHBondContact O-N 3.38Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 3.16Å; L224-N226 VanDerWaalsContact C-N 3.32Å; L224-N226 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 3.34Å; L224-Q228 PolarHBondContact O-N 3.33Å |
| 225 | I | 97.3 | Very high | 97.5 | Very high | 78 Ų | 78 | 98.5 Ų | 98.5 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 174.8 | -68.6 | 166.4 | 0 | 0 | 0 | 110.4 | C221 Q222 L227 Q228 N229 | C221-I225 WeakPolarHBondContact O-CG1 3.37Å; C221-I225 PolarHBondContact O-N 3.26Å; Q222-I225 PolarHBondContact O-N 3.48Å; I225-L227 PolarHBondContact O-N 2.98Å; I225-Q228 PolarHBondContact O-N 3.47Å; I225-N229 WeakPolarHBondContact O-CB 3.37Å; I225-N229 VanDerWaalsContact O-CG 3.27Å; I225-N229 PolarHBondContact O-N 3.18Å; I225-N229 PolarHBondContact O-ND2 2.6Å |
| 226 | N | 98 | Very high | 97.5 | Very high | 89 Ų | 89 | 98.8 Ų | 98.8 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 178.6 | -68.4 | -10.8 | 0 | 0 | 0 | 112.1 | Q222 H223 L224 N229 R230 | Q222-N226 PolarHBondContact NE2-OD1 3.37Å; Q222-N226 VanDerWaalsContact NE2-OD1 3.15Å; Q222-N226 VanDerWaalsContact O-CG 3.23Å; Q222-N226 PolarHBondContact O-N 3.36Å; Q222-N226 PolarHBondContact O-OD1 2.89Å; H223-N226 PolarHBondContact O-N 3.28Å; L224-N226 VanDerWaalsContact C-N 3.32Å; L224-N226 PolarHBondContact O-N 2.92Å; N226-N229 PolarHBondContact O-N 3.28Å; N226-R230 PolarHBondContact O-N 2.74Å |
| 227 | L | 98 | Very high | 97.6 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.6 | -73.6 | 178.7 | 0 | 0 | 0 | 111.8 | H223 L224 I225 N229 R230 T231 | H223-L227 WeakPolarHBondContact O-CG 3.44Å; H223-L227 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 3.34Å; I225-L227 PolarHBondContact O-N 2.98Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.03Å; L227-R230 PolarHBondContact O-N 3.16Å; L227-T231 PolarHBondContact O-N 3.44Å; L227-T231 PolarHBondContact O-OG1 3.15Å |
| 228 | Q | 97.8 | Very high | 97.6 | Very high | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 178.2 | -177.8 | 177.9 | -6 | 0 | 0 | 111.6 | L224 I225 R230 T231 N232 | L224-Q228 PolarHBondContact O-N 3.33Å; I225-Q228 PolarHBondContact O-N 3.47Å; Q228-R230 VanDerWaalsContact C-N 3.34Å; Q228-R230 PolarHBondContact O-N 2.92Å; Q228-T231 PolarHBondContact O-N 2.95Å; Q228-N232 VanDerWaalsContact O-CG 3.32Å; Q228-N232 PolarHBondContact O-N 2.72Å; Q228-N232 PolarHBondContact O-ND2 2.81Å |
| 229 | N | 97.9 | Very high | 97.6 | Very high | 90 Ų | 90 | 104.5 Ų | 104.5 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.8 | -72.1 | -17.6 | 0 | 0 | 0 | 111.5 | I225 N226 L227 T231 N232 E233 | I225-N229 WeakPolarHBondContact O-CB 3.37Å; I225-N229 VanDerWaalsContact O-CG 3.27Å; I225-N229 PolarHBondContact O-N 3.18Å; I225-N229 PolarHBondContact O-ND2 2.6Å; N226-N229 PolarHBondContact O-N 3.28Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.03Å; N229-T231 PolarHBondContact O-N 2.88Å; N229-N232 PolarHBondContact O-N 2.82Å; N229-E233 PolarHBondContact O-N 3.3Å |
| 230 | R | 97.9 | Very high | 97.6 | Very high | 164 Ų | 164 | 106 Ų | 106 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 175.7 | -174 | 175.8 | 175.9 | 178 | -1.3 | 112.4 | N226 L227 Q228 N232 E233 I234 | N226-R230 PolarHBondContact O-N 2.74Å; L227-R230 PolarHBondContact O-N 3.16Å; Q228-R230 VanDerWaalsContact C-N 3.34Å; Q228-R230 PolarHBondContact O-N 2.92Å; R230-N232 VanDerWaalsContact C-N 3.34Å; R230-E233 PolarHBondContact O-N 2.88Å; R230-I234 HydrophobicContact CG-CD1 4.24Å; R230-I234 WeakPolarHBondContact O-CG1 3.48Å; R230-I234 PolarHBondContact O-N 3.47Å |
| 231 | T | 97.8 | Very high | 97.5 | Very high | 74 Ų | 74 | 103 Ų | 103 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L227 Q228 N229 E233 I234 R235 | L227-T231 PolarHBondContact O-N 3.44Å; L227-T231 PolarHBondContact O-OG1 3.15Å; Q228-T231 PolarHBondContact O-N 2.95Å; N229-T231 PolarHBondContact O-N 2.88Å; T231-E233 VanDerWaalsContact C-N 3.34Å; T231-I234 PolarHBondContact O-N 2.97Å; T231-R235 WeakPolarHBondContact O-CB 3.43Å; T231-R235 PolarHBondContact O-N 2.84Å |
| 232 | N | 97.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 104.4 Ų | 104.4 | 35% | 0.353 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.7 | -71.4 | -21.7 | 0 | 0 | 0 | 111.9 | Q228 N229 R230 R235 S236 | Q228-N232 VanDerWaalsContact O-CG 3.32Å; Q228-N232 PolarHBondContact O-N 2.72Å; Q228-N232 PolarHBondContact O-ND2 2.81Å; N229-N232 PolarHBondContact O-N 2.82Å; R230-N232 VanDerWaalsContact C-N 3.34Å; N232-R235 PolarHBondContact O-N 3.36Å; N232-R235 PolarHBondContact OD1-NH1 3.5Å; N232-S236 WeakPolarHBondContact O-CB 3.24Å; N232-S236 PolarHBondContact O-N 3.11Å |
| 233 | E | 97.6 | Very high | 97.5 | Very high | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 175.4 | -171 | -175.4 | -178.2 | 0 | 0 | 111.8 | N229 R230 T231 R235 S236 R237 | N229-E233 PolarHBondContact O-N 3.3Å; R230-E233 PolarHBondContact O-N 2.88Å; T231-E233 VanDerWaalsContact C-N 3.34Å; E233-R235 VanDerWaalsContact C-N 3.32Å; E233-R235 PolarHBondContact O-N 2.89Å; E233-S236 PolarHBondContact O-N 3.1Å; E233-R237 WeakPolarHBondContact O-CG 3.5Å; E233-R237 PolarHBondContact O-N 3.2Å; E233-R237 IonicContact OE1-CZ 2.64Å; E233-R237 VanDerWaalsContact OE1-CZ 3.31Å; E233-R237 IonicContact OE1-NE 2.69Å; E233-R237 PolarHBondContact OE1-NE 2.92Å; E233-R237 IonicContact OE1-NH2 3.78Å; E233-R237 PolarHBondContact OE1-NH2 3.19Å |
| 234 | I | 97.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 176.1 | -68.1 | 166.9 | 0 | 0 | 0 | 110.4 | R230 T231 S236 R237 L238 | R230-I234 HydrophobicContact CG-CD1 4.24Å; R230-I234 WeakPolarHBondContact O-CG1 3.48Å; R230-I234 PolarHBondContact O-N 3.47Å; T231-I234 PolarHBondContact O-N 2.97Å; I234-S236 VanDerWaalsContact C-N 3.33Å; I234-S236 PolarHBondContact O-N 3.47Å; I234-R237 PolarHBondContact O-N 3.32Å; I234-L238 HydrophobicContact CG2-CD1 4Å; I234-L238 HydrophobicContact CG2-CG 4.44Å; I234-L238 WeakPolarHBondContact O-CG 3.45Å; I234-L238 PolarHBondContact O-N 3.4Å |
| 235 | R | 97.7 | Very high | 97.4 | Very high | 117 Ų | 117 | 103.7 Ų | 103.7 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 178.3 | -168.7 | -172.5 | -63.1 | 125.6 | 2 | 111.5 | T231 N232 E233 L238 Y239 | T231-R235 WeakPolarHBondContact O-CB 3.43Å; T231-R235 PolarHBondContact O-N 2.84Å; N232-R235 PolarHBondContact O-N 3.36Å; N232-R235 PolarHBondContact OD1-NH1 3.5Å; E233-R235 VanDerWaalsContact C-N 3.32Å; E233-R235 PolarHBondContact O-N 2.89Å; R235-L238 PolarHBondContact O-N 2.95Å; R235-Y239 HydrophobicContact CG-CD2 3.92Å; R235-Y239 HydrophobicContact CG-CE2 3.49Å; R235-Y239 VanDerWaalsContact CG-CE2 3.49Å; R235-Y239 VanDerWaalsContact O-CD2 3.3Å; R235-Y239 WeakPolarHBondContact O-CD2 3.34Å; R235-Y239 PolarHBondContact O-N 3.46Å |
| 236 | S | 97.8 | Very high | 97.3 | Very high | 77 Ų | 77 | 105.4 Ų | 105.4 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.1 | -177 | 0 | 0 | 0 | 0 | 112.2 | N232 E233 I234 L238 Y239 K240 | N232-S236 WeakPolarHBondContact O-CB 3.24Å; N232-S236 PolarHBondContact O-N 3.11Å; E233-S236 PolarHBondContact O-N 3.1Å; I234-S236 VanDerWaalsContact C-N 3.33Å; I234-S236 PolarHBondContact O-N 3.47Å; S236-L238 VanDerWaalsContact C-N 3.34Å; S236-L238 PolarHBondContact O-N 2.93Å; S236-Y239 PolarHBondContact O-N 2.75Å; S236-K240 PolarHBondContact O-N 3.19Å |
| 237 | R | 97.5 | Very high | 97.2 | Very high | 165 Ų | 165 | 105.8 Ų | 105.8 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61 | -42 | 176.4 | -69.8 | 177.2 | -175.9 | -161 | 0.7 | 112.1 | E233 I234 K240 A241 | E233-R237 WeakPolarHBondContact O-CG 3.5Å; E233-R237 PolarHBondContact O-N 3.2Å; E233-R237 IonicContact OE1-CZ 2.64Å; E233-R237 VanDerWaalsContact OE1-CZ 3.31Å; E233-R237 IonicContact OE1-NE 2.69Å; E233-R237 PolarHBondContact OE1-NE 2.92Å; E233-R237 IonicContact OE1-NH2 3.78Å; E233-R237 PolarHBondContact OE1-NH2 3.19Å; I234-R237 PolarHBondContact O-N 3.32Å; R237-K240 PolarHBondContact O-N 3.29Å; R237-A241 WeakPolarHBondContact O-CB 3.44Å; R237-A241 PolarHBondContact O-N 3.48Å |
| 238 | L | 97.2 | Very high | 97.1 | Very high | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 175.9 | -75.8 | 171.8 | 0 | 0 | 0 | 111.8 | I234 R235 S236 K240 A241 V242 | I234-L238 HydrophobicContact CG2-CD1 4Å; I234-L238 HydrophobicContact CG2-CG 4.44Å; I234-L238 WeakPolarHBondContact O-CG 3.45Å; I234-L238 PolarHBondContact O-N 3.4Å; R235-L238 PolarHBondContact O-N 2.95Å; S236-L238 VanDerWaalsContact C-N 3.34Å; S236-L238 PolarHBondContact O-N 2.93Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.43Å; L238-A241 PolarHBondContact O-N 3.37Å; L238-V242 WeakPolarHBondContact O-CG2 3.31Å; L238-V242 PolarHBondContact O-N 3.2Å |
| 239 | Y | 97.2 | Very high | 97.1 | Very high | 160 Ų | 160 | 107.7 Ų | 107.7 | 63% | 0.627 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 176.5 | -76.6 | -47 | 0 | 0 | 0 | 112.1 | R235 S236 A241 V242 E243 | R235-Y239 HydrophobicContact CG-CD2 3.92Å; R235-Y239 HydrophobicContact CG-CE2 3.49Å; R235-Y239 VanDerWaalsContact CG-CE2 3.49Å; R235-Y239 VanDerWaalsContact O-CD2 3.3Å; R235-Y239 WeakPolarHBondContact O-CD2 3.34Å; R235-Y239 PolarHBondContact O-N 3.46Å; S236-Y239 PolarHBondContact O-N 2.75Å; Y239-A241 VanDerWaalsContact C-N 3.35Å; Y239-A241 PolarHBondContact O-N 3.25Å; Y239-V242 PolarHBondContact O-N 3.15Å; Y239-E243 PolarHBondContact O-N 3.38Å |
| 240 | K | 97.2 | Very high | 97 | Very high | 154 Ų | 154 | 108.1 Ų | 108.1 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 175.5 | -169.3 | 177.2 | -178.9 | -179.8 | 0 | 111.6 | S236 R237 L238 V242 E243 T244 | S236-K240 PolarHBondContact O-N 3.19Å; R237-K240 PolarHBondContact O-N 3.29Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.43Å; K240-V242 VanDerWaalsContact C-N 3.34Å; K240-V242 PolarHBondContact O-N 2.84Å; K240-E243 PolarHBondContact O-N 3.46Å; K240-T244 WeakPolarHBondContact O-CG2 3.5Å; K240-T244 PolarHBondContact O-N 3.36Å; K240-T244 PolarHBondContact O-OG1 3.5Å; K240-T244 VanDerWaalsContact O-OG1 3.14Å |
| 241 | A | 96.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 105.7 Ų | 105.7 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | R237 L238 Y239 T244 K245 | R237-A241 WeakPolarHBondContact O-CB 3.44Å; R237-A241 PolarHBondContact O-N 3.48Å; L238-A241 PolarHBondContact O-N 3.37Å; Y239-A241 VanDerWaalsContact C-N 3.35Å; Y239-A241 PolarHBondContact O-N 3.25Å; A241-T244 WeakPolarHBondContact CA-OG1 3.31Å; A241-T244 PolarHBondContact O-OG1 2.94Å; A241-K245 WeakPolarHBondContact O-CB 3.5Å; A241-K245 PolarHBondContact O-N 2.99Å |
| 242 | V | 97.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 106.8 Ų | 106.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -45.5 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L238 Y239 K240 K245 K246 | L238-V242 WeakPolarHBondContact O-CG2 3.31Å; L238-V242 PolarHBondContact O-N 3.2Å; Y239-V242 PolarHBondContact O-N 3.15Å; K240-V242 VanDerWaalsContact C-N 3.34Å; K240-V242 PolarHBondContact O-N 2.84Å; V242-K245 PolarHBondContact O-N 2.9Å; V242-K246 PolarHBondContact O-N 3.39Å |
| 243 | E | 96.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 107.2 Ų | 107.2 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 179.5 | -165 | 60.6 | -150.1 | 0 | 0 | 111.6 | Y239 K240 K245 K246 Q247 | Y239-E243 PolarHBondContact O-N 3.38Å; K240-E243 PolarHBondContact O-N 3.46Å; E243-K245 VanDerWaalsContact C-N 3.33Å; E243-K245 PolarHBondContact O-N 3.36Å; E243-K246 WeakPolarHBondContact O-CB 3.38Å; E243-K246 PolarHBondContact O-N 2.85Å; E243-Q247 WeakPolarHBondContact O-CG 3.39Å; E243-Q247 PolarHBondContact O-N 2.94Å |
| 244 | T | 96.6 | Very high | 96.7 | Very high | 54 Ų | 54 | 104.9 Ų | 104.9 | 33% | 0.331 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | K240 A241 K246 Q247 H248 | K240-T244 WeakPolarHBondContact O-CG2 3.5Å; K240-T244 PolarHBondContact O-N 3.36Å; K240-T244 PolarHBondContact O-OG1 3.5Å; K240-T244 VanDerWaalsContact O-OG1 3.14Å; A241-T244 WeakPolarHBondContact CA-OG1 3.31Å; A241-T244 PolarHBondContact O-OG1 2.94Å; T244-K246 VanDerWaalsContact C-N 3.33Å; T244-K246 PolarHBondContact O-N 2.82Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-H248 PolarHBondContact O-CD2 3.13Å; T244-H248 VanDerWaalsContact O-CD2 3.27Å; T244-H248 PolarHBondContact O-N 3.12Å |
| 245 | K | 96.5 | Very high | 96.6 | Very high | 153 Ų | 153 | 106 Ų | 106 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 175.2 | -178.9 | -178.5 | 176.1 | -177.3 | 0 | 111.2 | A241 V242 E243 H248 Q249 | A241-K245 WeakPolarHBondContact O-CB 3.5Å; A241-K245 PolarHBondContact O-N 2.99Å; V242-K245 PolarHBondContact O-N 2.9Å; E243-K245 VanDerWaalsContact C-N 3.33Å; E243-K245 PolarHBondContact O-N 3.36Å; K245-H248 PolarHBondContact O-N 3.35Å; K245-Q249 WeakPolarHBondContact O-CB 3.47Å; K245-Q249 PolarHBondContact O-N 3.2Å |
| 246 | K | 96 | Very high | 96.5 | Very high | 114 Ų | 114 | 104 Ų | 104 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.1 | -173.2 | -175.4 | 177.6 | -170.7 | 0 | 111.5 | V242 E243 T244 Q249 N250 | V242-K246 PolarHBondContact O-N 3.39Å; E243-K246 WeakPolarHBondContact O-CB 3.38Å; E243-K246 PolarHBondContact O-N 2.85Å; T244-K246 VanDerWaalsContact C-N 3.33Å; T244-K246 PolarHBondContact O-N 2.82Å; K246-Q249 PolarHBondContact O-N 3.25Å; K246-N250 VanDerWaalsContact O-CG 3.27Å; K246-N250 PolarHBondContact O-N 3.23Å |
| 247 | Q | 95.8 | Very high | 96.4 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 174.2 | -73 | 173.7 | -10.5 | 0 | 0 | 111.3 | E243 T244 Q249 N250 E251 | E243-Q247 WeakPolarHBondContact O-CG 3.39Å; E243-Q247 PolarHBondContact O-N 2.94Å; T244-Q247 PolarHBondContact O-N 2.9Å; Q247-Q249 VanDerWaalsContact C-N 3.3Å; Q247-Q249 PolarHBondContact O-N 3.46Å; Q247-N250 WeakPolarHBondContact O-CB 3.36Å; Q247-N250 PolarHBondContact O-N 2.95Å; Q247-E251 WeakPolarHBondContact O-CG 3.27Å; Q247-E251 PolarHBondContact O-N 2.9Å |
| 248 | H | 96.7 | Very high | 96.3 | Very high | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 177.4 | -69.5 | -35.4 | 0 | 0 | 0 | 113.2 | T244 K245 N250 E251 L252 | T244-H248 PolarHBondContact O-CD2 3.13Å; T244-H248 VanDerWaalsContact O-CD2 3.27Å; T244-H248 PolarHBondContact O-N 3.12Å; K245-H248 PolarHBondContact O-N 3.35Å; H248-N250 VanDerWaalsContact C-N 3.34Å; H248-E251 IonicContact CE1-OE2 3.96Å; H248-E251 IonicContact CG-OE2 3.31Å; H248-E251 IonicContact ND1-OE2 3.39Å; H248-E251 PolarHBondContact ND1-OE2 3.5Å; H248-E251 PolarHBondContact O-N 3.01Å; H248-L252 VanDerWaalsContact O-CB 3.28Å; H248-L252 WeakPolarHBondContact O-CB 3.44Å; H248-L252 PolarHBondContact O-N 3.44Å |
| 249 | Q | 96.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 105.1 Ų | 105.1 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -40.4 | 174.3 | -175.2 | 175.6 | 0.8 | 0 | 0 | 111.7 | K245 K246 Q247 S253 | K245-Q249 WeakPolarHBondContact O-CB 3.47Å; K245-Q249 PolarHBondContact O-N 3.2Å; K246-Q249 PolarHBondContact O-N 3.25Å; Q247-Q249 VanDerWaalsContact C-N 3.3Å; Q247-Q249 PolarHBondContact O-N 3.46Å; Q249-S253 VanDerWaalsContact O-CB 3.31Å; Q249-S253 WeakPolarHBondContact O-CB 3.39Å; Q249-S253 PolarHBondContact O-N 2.9Å |
| 250 | N | 96.1 | Very high | 96.1 | Very high | 98 Ų | 98 | 105.8 Ų | 105.8 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 176.1 | -69.6 | -15.9 | 0 | 0 | 0 | 111.7 | K246 Q247 H248 S253 A254 | K246-N250 VanDerWaalsContact O-CG 3.27Å; K246-N250 PolarHBondContact O-N 3.23Å; Q247-N250 WeakPolarHBondContact O-CB 3.36Å; Q247-N250 PolarHBondContact O-N 2.95Å; H248-N250 VanDerWaalsContact C-N 3.34Å; N250-S253 PolarHBondContact O-N 2.87Å; N250-A254 WeakPolarHBondContact O-CB 3.49Å; N250-A254 PolarHBondContact O-N 3.1Å |
| 251 | E | 95.9 | Very high | 96 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -50.8 | 175.1 | -72.6 | 168.4 | 172.4 | 0 | 0 | 111 | Q247 H248 S253 A254 E255 | Q247-E251 WeakPolarHBondContact O-CG 3.27Å; Q247-E251 PolarHBondContact O-N 2.9Å; H248-E251 IonicContact CE1-OE2 3.96Å; H248-E251 IonicContact CG-OE2 3.31Å; H248-E251 IonicContact ND1-OE2 3.39Å; H248-E251 PolarHBondContact ND1-OE2 3.5Å; H248-E251 PolarHBondContact O-N 3.01Å; E251-S253 VanDerWaalsContact C-N 3.33Å; E251-S253 PolarHBondContact O-N 3.43Å; E251-A254 PolarHBondContact O-N 3.32Å; E251-A254 VanDerWaalsContact O-N 3.17Å; E251-E255 WeakPolarHBondContact O-CB 3.33Å; E251-E255 PolarHBondContact O-N 2.85Å |
| 252 | L | 96.3 | Very high | 95.9 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 177.7 | -179.6 | 64.6 | 0 | 0 | 0 | 111.6 | H248 A254 E255 I256 | H248-L252 VanDerWaalsContact O-CB 3.28Å; H248-L252 WeakPolarHBondContact O-CB 3.44Å; H248-L252 PolarHBondContact O-N 3.44Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 2.96Å; L252-E255 PolarHBondContact O-N 2.85Å; L252-I256 HydrophobicContact CD1-CD1 4.27Å; L252-I256 HydrophobicContact CD1-CG1 4.46Å; L252-I256 HydrophobicContact CG-CD1 4.01Å; L252-I256 VanDerWaalsContact O-CG1 3.26Å; L252-I256 WeakPolarHBondContact O-CG1 3.39Å; L252-I256 PolarHBondContact O-N 3.1Å |
| 253 | S | 96.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 108.8 Ų | 108.8 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 112 | Q249 N250 E251 H257 | Q249-S253 VanDerWaalsContact O-CB 3.31Å; Q249-S253 WeakPolarHBondContact O-CB 3.39Å; Q249-S253 PolarHBondContact O-N 2.9Å; N250-S253 PolarHBondContact O-N 2.87Å; E251-S253 VanDerWaalsContact C-N 3.33Å; E251-S253 PolarHBondContact O-N 3.43Å; S253-H257 WeakPolarHBondContact O-CB 3.29Å; S253-H257 PolarHBondContact O-N 3.38Å; S253-H257 VanDerWaalsContact O-N 3.1Å |
| 254 | A | 95.5 | Very high | 95.7 | Very high | 47 Ų | 47 | 110.5 Ų | 110.5 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N250 E251 L252 H257 W258 | N250-A254 WeakPolarHBondContact O-CB 3.49Å; N250-A254 PolarHBondContact O-N 3.1Å; E251-A254 PolarHBondContact O-N 3.32Å; E251-A254 VanDerWaalsContact O-N 3.17Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 2.96Å; A254-H257 WeakPolarHBondContact O-CB 3.29Å; A254-H257 PolarHBondContact O-N 2.94Å; A254-W258 PolarHBondContact O-N 2.97Å |
| 255 | E | 96.1 | Very high | 95.5 | Very high | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 176.1 | -174.5 | 176.6 | -173.4 | 0 | 0 | 111.7 | E251 L252 H257 W258 N259 | E251-E255 WeakPolarHBondContact O-CB 3.33Å; E251-E255 PolarHBondContact O-N 2.85Å; L252-E255 PolarHBondContact O-N 2.85Å; E255-H257 VanDerWaalsContact C-N 3.28Å; E255-H257 PolarHBondContact O-N 2.95Å; E255-W258 PolarHBondContact O-N 3.26Å; E255-N259 WeakPolarHBondContact O-CB 3.48Å; E255-N259 PolarHBondContact O-N 3.5Å; E255-N259 PolarHBondContact O-ND2 3.11Å |
| 256 | I | 95.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 106.6 Ų | 106.6 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 174.7 | -69.3 | 166.6 | 0 | 0 | 0 | 110.7 | L252 R260 | L252-I256 HydrophobicContact CD1-CD1 4.27Å; L252-I256 HydrophobicContact CD1-CG1 4.46Å; L252-I256 HydrophobicContact CG-CD1 4.01Å; L252-I256 VanDerWaalsContact O-CG1 3.26Å; L252-I256 WeakPolarHBondContact O-CG1 3.39Å; L252-I256 PolarHBondContact O-N 3.1Å; I256-R260 WeakPolarHBondContact O-CG 3.4Å; I256-R260 PolarHBondContact O-N 3.4Å; I256-R260 VanDerWaalsContact O-N 3.11Å |
| 257 | H | 95.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 106.3 Ų | 106.3 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 178.2 | -178.5 | -85 | 0 | 0 | 0 | 112 | S253 A254 E255 R260 L261 | S253-H257 WeakPolarHBondContact O-CB 3.29Å; S253-H257 PolarHBondContact O-N 3.38Å; S253-H257 VanDerWaalsContact O-N 3.1Å; A254-H257 WeakPolarHBondContact O-CB 3.29Å; A254-H257 PolarHBondContact O-N 2.94Å; E255-H257 VanDerWaalsContact C-N 3.28Å; E255-H257 PolarHBondContact O-N 2.95Å; H257-R260 PolarHBondContact O-N 2.98Å; H257-L261 PolarHBondContact O-N 3.1Å |
| 258 | W | 95.5 | Very high | 95.2 | Very high | 167 Ų | 167 | 106.3 Ų | 106.3 | 63% | 0.633 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 176.6 | -85.5 | 116 | 0 | 0 | 0 | 112.6 | A254 E255 R260 L261 Y262 | A254-W258 PolarHBondContact O-N 2.97Å; E255-W258 PolarHBondContact O-N 3.26Å; W258-R260 PolarHBondContact O-N 3.45Å; W258-L261 HydrophobicContact CE3-CD2 3.92Å; W258-L261 HydrophobicContact CZ3-CD2 3.71Å; W258-L261 PolarHBondContact O-N 3.2Å; W258-Y262 WeakPolarHBondContact O-CB 3.33Å; W258-Y262 PolarHBondContact O-N 3.35Å |
| 259 | N | 95.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 103.9 Ų | 103.9 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177.6 | -73.2 | -20 | 0 | 0 | 0 | 111.3 | E255 L261 Y262 E263 | E255-N259 WeakPolarHBondContact O-CB 3.48Å; E255-N259 PolarHBondContact O-N 3.5Å; E255-N259 PolarHBondContact O-ND2 3.11Å; N259-L261 PolarHBondContact O-N 3.4Å; N259-Y262 PolarHBondContact O-N 3.31Å; N259-E263 WeakPolarHBondContact O-CB 3.24Å; N259-E263 WeakPolarHBondContact O-CG 3.34Å; N259-E263 PolarHBondContact O-N 3.19Å |
| 260 | R | 95.1 | Very high | 95 | Very high | 174 Ų | 174 | 100.7 Ų | 100.7 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 175.1 | -73.7 | 175.9 | -179.4 | 177.5 | 1.7 | 112.8 | I256 H257 W258 K264 | I256-R260 WeakPolarHBondContact O-CG 3.4Å; I256-R260 PolarHBondContact O-N 3.4Å; I256-R260 VanDerWaalsContact O-N 3.11Å; H257-R260 PolarHBondContact O-N 2.98Å; W258-R260 PolarHBondContact O-N 3.45Å; R260-K264 WeakPolarHBondContact O-CB 3.45Å; R260-K264 PolarHBondContact O-N 2.88Å |
| 261 | L | 94.6 | Very high | 94.9 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 177 | -175.9 | 71.2 | 0 | 0 | 0 | 110.9 | H257 W258 N259 K264 V265 | H257-L261 PolarHBondContact O-N 3.1Å; W258-L261 HydrophobicContact CE3-CD2 3.92Å; W258-L261 HydrophobicContact CZ3-CD2 3.71Å; W258-L261 PolarHBondContact O-N 3.2Å; N259-L261 PolarHBondContact O-N 3.4Å; L261-K264 WeakPolarHBondContact O-CB 3.41Å; L261-K264 PolarHBondContact O-N 3.48Å; L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.12Å |
| 262 | Y | 93.7 | Very high | 94.7 | Very high | 166 Ų | 166 | 100.8 Ų | 100.8 | 65% | 0.651 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 178.7 | -179.3 | -96.5 | 0 | 0 | 0 | 112 | W258 N259 K264 V265 T266 | W258-Y262 WeakPolarHBondContact O-CB 3.33Å; W258-Y262 PolarHBondContact O-N 3.35Å; N259-Y262 PolarHBondContact O-N 3.31Å; Y262-K264 VanDerWaalsContact C-N 3.31Å; Y262-K264 PolarHBondContact O-N 3.27Å; Y262-V265 PolarHBondContact O-N 3.2Å; Y262-T266 VanDerWaalsContact O-CB 3.31Å; Y262-T266 WeakPolarHBondContact O-CB 3.47Å; Y262-T266 PolarHBondContact O-N 2.97Å; Y262-T266 PolarHBondContact O-OG1 2.89Å |
| 263 | E | 94 | Very high | 94.5 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.7 | -45.3 | 173.6 | -76.3 | 173.6 | 179.5 | 0 | 0 | 111.3 | N259 T266 M267 | N259-E263 WeakPolarHBondContact O-CB 3.24Å; N259-E263 WeakPolarHBondContact O-CG 3.34Å; N259-E263 PolarHBondContact O-N 3.19Å; E263-T266 PolarHBondContact O-N 2.77Å; E263-M267 WeakPolarHBondContact O-CB 3.46Å; E263-M267 VanDerWaalsContact O-CG 3.26Å; E263-M267 WeakPolarHBondContact O-CG 3.32Å; E263-M267 PolarHBondContact O-N 2.87Å |
| 264 | K | 94.8 | Very high | 94.3 | Very high | 131 Ų | 131 | 104.1 Ų | 104.1 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -49.4 | 178.6 | -170.9 | -178 | 177.5 | -172 | 0 | 111.8 | R260 L261 Y262 T266 M267 E268 | R260-K264 WeakPolarHBondContact O-CB 3.45Å; R260-K264 PolarHBondContact O-N 2.88Å; L261-K264 WeakPolarHBondContact O-CB 3.41Å; L261-K264 PolarHBondContact O-N 3.48Å; Y262-K264 VanDerWaalsContact C-N 3.31Å; Y262-K264 PolarHBondContact O-N 3.27Å; K264-T266 VanDerWaalsContact C-N 3.33Å; K264-T266 PolarHBondContact O-N 3.01Å; K264-M267 PolarHBondContact O-N 3.18Å; K264-E268 VanDerWaalsContact CE-OE1 3.26Å; K264-E268 WeakPolarHBondContact CE-OE1 3.39Å; K264-E268 WeakPolarHBondContact O-CB 3.27Å; K264-E268 WeakPolarHBondContact O-CG 3.43Å; K264-E268 PolarHBondContact O-N 2.88Å |
| 265 | V | 93.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 107.9 Ų | 107.9 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L261 Y262 E268 S269 | L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.12Å; Y262-V265 PolarHBondContact O-N 3.2Å; V265-E268 PolarHBondContact O-N 3.3Å; V265-S269 WeakPolarHBondContact O-CB 3.37Å; V265-S269 PolarHBondContact O-N 3.04Å |
| 266 | T | 94.7 | Very high | 94 | Very high | 45 Ų | 45 | 107.1 Ų | 107.1 | 28% | 0.276 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | Y262 E263 K264 S269 N270 | Y262-T266 VanDerWaalsContact O-CB 3.31Å; Y262-T266 WeakPolarHBondContact O-CB 3.47Å; Y262-T266 PolarHBondContact O-N 2.97Å; Y262-T266 PolarHBondContact O-OG1 2.89Å; E263-T266 PolarHBondContact O-N 2.77Å; K264-T266 VanDerWaalsContact C-N 3.33Å; K264-T266 PolarHBondContact O-N 3.01Å; T266-S269 PolarHBondContact O-N 3.35Å; T266-N270 WeakPolarHBondContact O-CB 3.37Å; T266-N270 PolarHBondContact O-N 3Å; T266-N270 PolarHBondContact O-ND2 3.15Å |
| 267 | M | 93.5 | Very high | 93.9 | Very high | 108 Ų | 108 | 109.3 Ų | 109.3 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.7 | -74.9 | -67.5 | -72.3 | 0 | 0 | 111.8 | E263 K264 N270 I271 | E263-M267 WeakPolarHBondContact O-CB 3.46Å; E263-M267 VanDerWaalsContact O-CG 3.26Å; E263-M267 WeakPolarHBondContact O-CG 3.32Å; E263-M267 PolarHBondContact O-N 2.87Å; K264-M267 PolarHBondContact O-N 3.18Å; M267-N270 PolarHBondContact O-N 2.84Å; M267-I271 WeakPolarHBondContact O-CD1 3.31Å; M267-I271 VanDerWaalsContact O-CG1 3.23Å; M267-I271 WeakPolarHBondContact O-CG1 3.43Å; M267-I271 PolarHBondContact O-N 3.45Å |
| 268 | E | 93.7 | Very high | 93.6 | Very high | 95 Ų | 95 | 109.1 Ų | 109.1 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.1 | -76.5 | 175.8 | -175.3 | 0 | 0 | 111.7 | K264 V265 I271 Q272 | K264-E268 VanDerWaalsContact CE-OE1 3.26Å; K264-E268 WeakPolarHBondContact CE-OE1 3.39Å; K264-E268 WeakPolarHBondContact O-CB 3.27Å; K264-E268 WeakPolarHBondContact O-CG 3.43Å; K264-E268 PolarHBondContact O-N 2.88Å; V265-E268 PolarHBondContact O-N 3.3Å; E268-I271 PolarHBondContact O-N 3.19Å; E268-Q272 WeakPolarHBondContact O-CG 3.43Å; E268-Q272 PolarHBondContact O-N 2.92Å |
| 269 | S | 93.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 105.7 Ų | 105.7 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | V265 T266 I271 Q272 E273 | V265-S269 WeakPolarHBondContact O-CB 3.37Å; V265-S269 PolarHBondContact O-N 3.04Å; T266-S269 PolarHBondContact O-N 3.35Å; S269-I271 VanDerWaalsContact C-N 3.3Å; S269-I271 PolarHBondContact O-N 3.01Å; S269-Q272 WeakPolarHBondContact O-CB 3.4Å; S269-Q272 PolarHBondContact O-N 2.95Å; S269-Q272 VanDerWaalsContact O-N 3.14Å; S269-E273 PolarHBondContact O-N 3.37Å |
| 270 | N | 94.7 | Very high | 93.2 | Very high | 62 Ų | 62 | 107.5 Ų | 107.5 | 33% | 0.332 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 177.5 | -74.6 | -21.2 | 0 | 0 | 0 | 112 | T266 M267 R274 | T266-N270 WeakPolarHBondContact O-CB 3.37Å; T266-N270 PolarHBondContact O-N 3Å; T266-N270 PolarHBondContact O-ND2 3.15Å; M267-N270 PolarHBondContact O-N 2.84Å; N270-R274 WeakPolarHBondContact O-CG 3.47Å; N270-R274 PolarHBondContact O-N 3.34Å |
| 271 | I | 93.9 | Very high | 92.9 | Very high | 76 Ų | 76 | 102.2 Ų | 102.2 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 174.7 | -70.6 | 164.5 | 0 | 0 | 0 | 110.4 | M267 E268 S269 R274 K275 | M267-I271 WeakPolarHBondContact O-CD1 3.31Å; M267-I271 VanDerWaalsContact O-CG1 3.23Å; M267-I271 WeakPolarHBondContact O-CG1 3.43Å; M267-I271 PolarHBondContact O-N 3.45Å; E268-I271 PolarHBondContact O-N 3.19Å; S269-I271 VanDerWaalsContact C-N 3.3Å; S269-I271 PolarHBondContact O-N 3.01Å; I271-R274 PolarHBondContact O-N 2.99Å; I271-K275 HydrophobicContact CG2-CD 4.34Å; I271-K275 WeakPolarHBondContact O-CG 3.11Å; I271-K275 PolarHBondContact O-N 2.86Å |
| 272 | Q | 92.1 | Very high | 92.5 | Very high | 136 Ų | 136 | 102.2 Ų | 102.2 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 176.6 | -73.1 | -178.4 | 3.2 | 0 | 0 | 112 | E268 S269 K275 L276 | E268-Q272 WeakPolarHBondContact O-CG 3.43Å; E268-Q272 PolarHBondContact O-N 2.92Å; S269-Q272 WeakPolarHBondContact O-CB 3.4Å; S269-Q272 PolarHBondContact O-N 2.95Å; S269-Q272 VanDerWaalsContact O-N 3.14Å; Q272-K275 PolarHBondContact O-N 3.39Å; Q272-L276 WeakPolarHBondContact O-CB 3.33Å; Q272-L276 PolarHBondContact O-N 2.83Å |
| 273 | E | 92.5 | Very high | 92.3 | Very high | 90 Ų | 90 | 99 Ų | 99 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.9 | -164.3 | -167 | 157.8 | 0 | 0 | 111.8 | S269 L276 K277 | S269-E273 PolarHBondContact O-N 3.37Å; E273-L276 WeakPolarHBondContact O-CB 3.37Å; E273-L276 PolarHBondContact O-N 3.49Å; E273-K277 PolarHBondContact O-N 2.91Å; E273-K277 WeakPolarHBondContact OE1-CE 3.46Å; E273-K277 IonicContact OE1-NZ 2.93Å; E273-K277 PolarHBondContact OE1-NZ 2.87Å |
| 274 | R | 91.9 | Very high | 92 | Very high | 152 Ų | 152 | 98.7 Ų | 98.7 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -48 | 173.7 | -74.4 | -176.7 | -142.4 | 171.5 | 4.4 | 111.6 | N270 I271 L276 K277 E278 | N270-R274 WeakPolarHBondContact O-CG 3.47Å; N270-R274 PolarHBondContact O-N 3.34Å; I271-R274 PolarHBondContact O-N 2.99Å; R274-L276 VanDerWaalsContact C-N 3.25Å; R274-L276 PolarHBondContact O-N 3.2Å; R274-K277 PolarHBondContact O-N 3.49Å; R274-K277 VanDerWaalsContact O-N 3.13Å; R274-E278 WeakPolarHBondContact O-CG 3.26Å; R274-E278 PolarHBondContact O-N 3.48Å |
| 275 | K | 92.8 | Very high | 91.6 | Very high | 127 Ų | 127 | 99 Ų | 99 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.7 | -42.3 | 174.9 | -75.6 | -179.3 | 177.5 | -175.1 | 0 | 111.3 | I271 Q272 I279 | I271-K275 HydrophobicContact CG2-CD 4.34Å; I271-K275 WeakPolarHBondContact O-CG 3.11Å; I271-K275 PolarHBondContact O-N 2.86Å; Q272-K275 PolarHBondContact O-N 3.39Å; K275-I279 WeakPolarHBondContact O-CB 3.43Å; K275-I279 WeakPolarHBondContact O-CD1 3.37Å; K275-I279 WeakPolarHBondContact O-CG1 3.37Å; K275-I279 PolarHBondContact O-N 2.89Å |
| 276 | L | 92.7 | Very high | 91.1 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.5 | -163.2 | 94.6 | 0 | 0 | 0 | 112.2 | Q272 E273 R274 I279 K280 | Q272-L276 WeakPolarHBondContact O-CB 3.33Å; Q272-L276 PolarHBondContact O-N 2.83Å; E273-L276 WeakPolarHBondContact O-CB 3.37Å; E273-L276 PolarHBondContact O-N 3.49Å; R274-L276 VanDerWaalsContact C-N 3.25Å; R274-L276 PolarHBondContact O-N 3.2Å; L276-I279 PolarHBondContact O-N 3.34Å; L276-K280 WeakPolarHBondContact O-CG 3.43Å; L276-K280 PolarHBondContact O-N 2.96Å |
| 277 | K | 92.7 | Very high | 90.6 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 177 | -76 | 178.1 | -176 | 164.9 | 0 | 112 | E273 R274 K280 S281 | E273-K277 PolarHBondContact O-N 2.91Å; E273-K277 WeakPolarHBondContact OE1-CE 3.46Å; E273-K277 IonicContact OE1-NZ 2.93Å; E273-K277 PolarHBondContact OE1-NZ 2.87Å; R274-K277 PolarHBondContact O-N 3.49Å; R274-K277 VanDerWaalsContact O-N 3.13Å; K277-K280 PolarHBondContact O-N 2.98Å; K277-S281 PolarHBondContact O-N 3.43Å; K277-S281 PolarHBondContact O-OG 3.28Å |
| 278 | E | 90.3 | Very high | 90 | Very high | 121 Ų | 121 | 102.5 Ų | 102.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 174.2 | -74.5 | 173.5 | -175.9 | 0 | 0 | 111.6 | R274 K280 S281 T282 | R274-E278 WeakPolarHBondContact O-CG 3.26Å; R274-E278 PolarHBondContact O-N 3.48Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 3.25Å; E278-S281 PolarHBondContact O-N 2.94Å; E278-S281 PolarHBondContact O-OG 2.91Å; E278-S281 VanDerWaalsContact O-OG 3.07Å; E278-T282 WeakPolarHBondContact O-CB 3.43Å; E278-T282 VanDerWaalsContact O-CG2 3.27Å; E278-T282 WeakPolarHBondContact O-CG2 3.48Å; E278-T282 PolarHBondContact O-N 3.02Å; E278-T282 PolarHBondContact O-OG1 3.16Å |
| 279 | I | 91.1 | Very high | 89.2 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 174 | -70.6 | 164.6 | 0 | 0 | 0 | 111.1 | K275 L276 T282 N283 | K275-I279 WeakPolarHBondContact O-CB 3.43Å; K275-I279 WeakPolarHBondContact O-CD1 3.37Å; K275-I279 WeakPolarHBondContact O-CG1 3.37Å; K275-I279 PolarHBondContact O-N 2.89Å; L276-I279 PolarHBondContact O-N 3.34Å; I279-T282 VanDerWaalsContact CA-OG1 3.3Å; I279-T282 WeakPolarHBondContact CA-OG1 3.4Å; I279-T282 PolarHBondContact O-OG1 2.89Å; I279-N283 VanDerWaalsContact O-CB 3.28Å; I279-N283 WeakPolarHBondContact O-CB 3.2Å; I279-N283 PolarHBondContact O-N 3.11Å; I279-N283 PolarHBondContact O-ND2 3.27Å |
| 280 | K | 91 | Very high | 88.3 | Confident | 121 Ų | 121 | 107 Ų | 107 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -49 | 176.2 | -77.7 | -177.7 | 178.9 | -176.5 | 0 | 112.2 | L276 K277 E278 T282 N283 E284 | L276-K280 WeakPolarHBondContact O-CG 3.43Å; L276-K280 PolarHBondContact O-N 2.96Å; K277-K280 PolarHBondContact O-N 2.98Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 3.25Å; K280-T282 VanDerWaalsContact C-N 3.35Å; K280-T282 PolarHBondContact O-N 2.97Å; K280-N283 PolarHBondContact O-N 3.14Å; K280-E284 WeakPolarHBondContact O-CG 3.4Å; K280-E284 PolarHBondContact O-N 3.19Å |
| 281 | S | 89.4 | Confident | 87.4 | Confident | 62 Ų | 62 | 109 Ų | 109 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | -179 | 65 | 0 | 0 | 0 | 0 | 112.1 | K277 E278 E284 Y285 | K277-S281 PolarHBondContact O-N 3.43Å; K277-S281 PolarHBondContact O-OG 3.28Å; E278-S281 PolarHBondContact O-N 2.94Å; E278-S281 PolarHBondContact O-OG 2.91Å; E278-S281 VanDerWaalsContact O-OG 3.07Å; S281-E284 PolarHBondContact O-N 3.49Å; S281-Y285 VanDerWaalsContact O-CB 3.3Å; S281-Y285 WeakPolarHBondContact O-CB 3.44Å; S281-Y285 PolarHBondContact O-N 2.89Å |
| 282 | T | 86.9 | Confident | 86 | Confident | 78 Ų | 78 | 111.7 Ų | 111.7 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 172.7 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | E278 I279 K280 Y285 V286 | E278-T282 WeakPolarHBondContact O-CB 3.43Å; E278-T282 VanDerWaalsContact O-CG2 3.27Å; E278-T282 WeakPolarHBondContact O-CG2 3.48Å; E278-T282 PolarHBondContact O-N 3.02Å; E278-T282 PolarHBondContact O-OG1 3.16Å; I279-T282 VanDerWaalsContact CA-OG1 3.3Å; I279-T282 WeakPolarHBondContact CA-OG1 3.4Å; I279-T282 PolarHBondContact O-OG1 2.89Å; K280-T282 VanDerWaalsContact C-N 3.35Å; K280-T282 PolarHBondContact O-N 2.97Å; T282-Y285 PolarHBondContact O-N 3.19Å; T282-V286 WeakPolarHBondContact O-CB 3.33Å; T282-V286 VanDerWaalsContact O-CG2 3.24Å; T282-V286 WeakPolarHBondContact O-CG2 3.42Å; T282-V286 PolarHBondContact O-N 3.16Å |
| 283 | N | 88.6 | Confident | 84.5 | Confident | 97 Ų | 97 | 114.3 Ų | 114.3 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.3 | -78.7 | -24 | 0 | 0 | 0 | 112.6 | I279 K280 V286 Q287 | I279-N283 VanDerWaalsContact O-CB 3.28Å; I279-N283 WeakPolarHBondContact O-CB 3.2Å; I279-N283 PolarHBondContact O-N 3.11Å; I279-N283 PolarHBondContact O-ND2 3.27Å; K280-N283 PolarHBondContact O-N 3.14Å; N283-V286 PolarHBondContact O-N 3.22Å; N283-Q287 WeakPolarHBondContact O-CB 3.31Å; N283-Q287 PolarHBondContact O-N 2.96Å |
| 284 | E | 88.3 | Confident | 82.5 | Confident | 116 Ų | 116 | 116.5 Ų | 116.5 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 175.7 | -76.1 | 173.7 | -173.7 | 0 | 0 | 111.5 | K280 S281 Q287 Q288 | K280-E284 WeakPolarHBondContact O-CG 3.4Å; K280-E284 PolarHBondContact O-N 3.19Å; S281-E284 PolarHBondContact O-N 3.49Å; E284-Q287 CarbonylContact O-C 3.57Å; E284-Q287 WeakPolarHBondContact O-CA 3.42Å; E284-Q287 WeakPolarHBondContact O-CB 3.32Å; E284-Q287 PolarHBondContact O-N 3.44Å; E284-Q287 VanDerWaalsContact O-N 3.13Å; E284-Q288 WeakPolarHBondContact O-CG 3.23Å; E284-Q288 PolarHBondContact O-N 3.13Å |
| 285 | Y | 86.5 | Confident | 80.3 | Confident | 139 Ų | 139 | 114.6 Ų | 114.6 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -45.1 | 175.9 | 179.4 | -107.4 | 0 | 0 | 0 | 112.1 | S281 T282 Q287 Q288 L289 | S281-Y285 VanDerWaalsContact O-CB 3.3Å; S281-Y285 WeakPolarHBondContact O-CB 3.44Å; S281-Y285 PolarHBondContact O-N 2.89Å; T282-Y285 PolarHBondContact O-N 3.19Å; Y285-Q287 PolarHBondContact O-N 2.79Å; Y285-Q288 PolarHBondContact O-N 3.4Å; Y285-L289 HydrophobicContact CD1-CD1 3.94Å; Y285-L289 HydrophobicContact CE1-CD1 3.41Å; Y285-L289 VanDerWaalsContact CE1-CD1 3.41Å; Y285-L289 HydrophobicContact CE1-CG 4.13Å; Y285-L289 HydrophobicContact CE2-CG 4.41Å; Y285-L289 PolarHBondContact O-N 3.48Å |
| 286 | V | 82.6 | Confident | 77.9 | Confident | 69 Ų | 69 | 118 Ų | 118 | 42% | 0.418 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.5 | -38.9 | 172.7 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | T282 N283 R290 | T282-V286 WeakPolarHBondContact O-CB 3.33Å; T282-V286 VanDerWaalsContact O-CG2 3.24Å; T282-V286 WeakPolarHBondContact O-CG2 3.42Å; T282-V286 PolarHBondContact O-N 3.16Å; N283-V286 PolarHBondContact O-N 3.22Å; V286-R290 WeakPolarHBondContact O-CG 3.46Å; V286-R290 PolarHBondContact O-N 3.23Å; V286-R290 VanDerWaalsContact O-N 3.13Å |
| 287 | Q | 83.3 | Confident | 75.6 | Confident | 125 Ų | 125 | 120.2 Ų | 120.2 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.8 | -38.9 | 177.9 | -163.1 | 164.3 | 2.7 | 0 | 0 | 112.6 | N283 E284 Y285 R290 N291 | N283-Q287 WeakPolarHBondContact O-CB 3.31Å; N283-Q287 PolarHBondContact O-N 2.96Å; E284-Q287 CarbonylContact O-C 3.57Å; E284-Q287 WeakPolarHBondContact O-CA 3.42Å; E284-Q287 WeakPolarHBondContact O-CB 3.32Å; E284-Q287 PolarHBondContact O-N 3.44Å; E284-Q287 VanDerWaalsContact O-N 3.13Å; Y285-Q287 PolarHBondContact O-N 2.79Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.47Å; Q287-N291 PolarHBondContact O-N 3.34Å; Q287-N291 VanDerWaalsContact O-N 3.07Å |
| 288 | Q | 82.2 | Confident | 73.2 | Confident | 112 Ų | 112 | 119.8 Ų | 119.8 | 52% | 0.523 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.5 | -43.3 | 173.1 | -72.8 | 179 | 5.5 | 0 | 0 | 112.3 | E284 Y285 R290 N291 Q292 | E284-Q288 WeakPolarHBondContact O-CG 3.23Å; E284-Q288 PolarHBondContact O-N 3.13Å; Y285-Q288 PolarHBondContact O-N 3.4Å; Q288-R290 VanDerWaalsContact C-N 3.27Å; Q288-R290 PolarHBondContact O-N 3.09Å; Q288-N291 PolarHBondContact O-N 3.04Å; Q288-Q292 PolarHBondContact O-N 3.33Å |
| 289 | L | 77.6 | Confident | 70.9 | Confident | 74 Ų | 74 | 120.5 Ų | 120.5 | 39% | 0.387 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.6 | -38.9 | 174.3 | -76.3 | 174.6 | 0 | 0 | 0 | 111.9 | Y285 N291 K293 | Y285-L289 HydrophobicContact CD1-CD1 3.94Å; Y285-L289 HydrophobicContact CE1-CD1 3.41Å; Y285-L289 VanDerWaalsContact CE1-CD1 3.41Å; Y285-L289 HydrophobicContact CE1-CG 4.13Å; Y285-L289 HydrophobicContact CE2-CG 4.41Å; Y285-L289 PolarHBondContact O-N 3.48Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-N291 PolarHBondContact O-N 2.97Å; L289-K293 PolarHBondContact O-N 3.23Å |
| 290 | R | 73.4 | Confident | 68.6 | Low | 179 Ų | 179 | 121.5 Ų | 121.5 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.5 | -38.9 | 172.3 | -74.6 | 178.2 | -179.2 | -169.8 | 0.9 | 111.9 | V286 Q287 Q288 | V286-R290 WeakPolarHBondContact O-CG 3.46Å; V286-R290 PolarHBondContact O-N 3.23Å; V286-R290 VanDerWaalsContact O-N 3.13Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.47Å; Q288-R290 VanDerWaalsContact C-N 3.27Å; Q288-R290 PolarHBondContact O-N 3.09Å |
| 291 | N | 75.3 | Confident | 66.3 | Low | 103 Ų | 103 | 122 Ų | 122 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.9 | -36.4 | 179.7 | -68.3 | -12 | 0 | 0 | 0 | 113.5 | Q287 Q288 L289 K293 L294 | Q287-N291 PolarHBondContact O-N 3.34Å; Q287-N291 VanDerWaalsContact O-N 3.07Å; Q288-N291 PolarHBondContact O-N 3.04Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-N291 PolarHBondContact O-N 2.97Å; N291-K293 VanDerWaalsContact C-N 3.35Å; N291-K293 PolarHBondContact O-N 3.09Å; N291-L294 WeakPolarHBondContact O-CB 3.44Å; N291-L294 PolarHBondContact O-N 3.35Å; N291-L294 VanDerWaalsContact O-N 3.11Å |
| 292 | Q | 64.7 | Low | 64.1 | Low | 133 Ų | 133 | 127.9 Ų | 127.9 | 62% | 0.621 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -34 | 178.3 | -75.5 | -177.5 | -1.6 | 0 | 0 | 112.8 | Q288 L294 V295 | Q288-Q292 PolarHBondContact O-N 3.33Å; Q292-L294 PolarHBondContact O-N 3.09Å; Q292-L294 VanDerWaalsContact O-N 3.09Å; Q292-V295 PolarHBondContact O-N 3.33Å |
| 293 | K | 59.8 | Low | 62 | Low | 191 Ų | 191 | 131 Ų | 131 | 83% | 0.83 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -11.1 | 172.6 | -77.5 | -171.4 | 176.1 | -175 | 0 | 113.8 | L289 N291 | L289-K293 PolarHBondContact O-N 3.23Å; N291-K293 VanDerWaalsContact C-N 3.35Å; N291-K293 PolarHBondContact O-N 3.09Å |
| 294 | L | 51.1 | Low | 59.8 | Low | 136 Ų | 136 | 131 Ų | 131 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 4.1 | 179 | -69.8 | 165.5 | 0 | 0 | 0 | 114 | N291 Q292 K296 | N291-L294 WeakPolarHBondContact O-CB 3.44Å; N291-L294 PolarHBondContact O-N 3.35Å; N291-L294 VanDerWaalsContact O-N 3.11Å; Q292-L294 PolarHBondContact O-N 3.09Å; Q292-L294 VanDerWaalsContact O-N 3.09Å; L294-K296 PolarHBondContact O-N 3.31Å |
| 295 | V | 45.9 | Very low | 57.9 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -68.9 | 109 | 169.1 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | Q292 I297 | Q292-V295 PolarHBondContact O-N 3.33Å; V295-I297 PolarHBondContact O-N 3.43Å |
| 296 | K | 42.8 | Very low | 56 | Low | 198 Ų | 198 | 132.5 Ų | 132.5 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -48 | 98.8 | -178.2 | -70.9 | 178.4 | 176.9 | 178.9 | 0 | 111.4 | L294 | L294-K296 PolarHBondContact O-N 3.31Š| ||
| 297 | I | 44.2 | Very low | 54.2 | Low | 141 Ų | 141 | 134.7 Ų | 134.7 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | trans | -61 | 123.5 | 156 | -60.8 | 172 | 0 | 0 | 0 | 105.4 | V295 I299 | V295-I297 PolarHBondContact O-N 3.43Å; I297-I299 PolarHBondContact O-N 3.45Å | ||
| 298 | P | 42.8 | Very low | 52.3 | Low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -65.6 | 104.6 | 171.4 | 6 | 4.3 | 0 | 0 | 0 | 106.8 | S300 | P298-S300 PolarHBondContact O-N 2.95Š| ||
| 299 | I | 42 | Very low | 50.5 | Low | 137 Ų | 137 | 138 Ų | 138 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | trans | -71.5 | 88.5 | 174.9 | -57.6 | 173 | 0 | 0 | 0 | 106.7 | I297 I301 | I297-I299 PolarHBondContact O-N 3.45Å; I299-I301 HydrophobicContact CG2-CB 3.94Å; I299-I301 HydrophobicContact CG2-CG1 4.19Å | ||
| 300 | S | 41.7 | Very low | 48.7 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -96.8 | 49 | 152.6 | 52.9 | 0 | 0 | 0 | 0 | 109 | P298 K302 | P298-S300 PolarHBondContact O-N 2.95Å; S300-K302 PolarHBondContact O-N 3.49Å | ||
| 301 | I | 44.3 | Very low | 47.5 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | trans | -90.4 | 105 | 169.4 | -58.7 | 178.2 | 0 | 0 | 0 | 106.9 | I299 L303 | I299-I301 HydrophobicContact CG2-CB 3.94Å; I299-I301 HydrophobicContact CG2-CG1 4.19Å; I301-L303 PolarHBondContact O-N 2.89Å; I301-L303 VanDerWaalsContact O-N 3.08Å | ||
| 302 | K | 42 | Very low | 46 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -50.9 | 111.3 | 160.7 | -97 | 176.6 | 170.3 | 177.5 | 0 | 108.1 | S300 T304 | S300-K302 PolarHBondContact O-N 3.49Å; K302-T304 PolarHBondContact O-N 3.24Å | ||
| 303 | L | 43.1 | Very low | 45 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -68 | 76 | 162.5 | -83.3 | 156.9 | 0 | 0 | 0 | 108.7 | I301 L306 | I301-L303 PolarHBondContact O-N 2.89Å; I301-L303 VanDerWaalsContact O-N 3.08Å; L303-L306 HydrophobicContact CD2-CD1 3.87Å; L303-L306 HydrophobicContact CD2-CG 4.17Å | ||
| 304 | T | 42.4 | Very low | 44.1 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | trans | -134.3 | 86.4 | 163.9 | 51.3 | 0 | 0 | 0 | 0 | 105.8 | K302 | K302-T304 PolarHBondContact O-N 3.24Š| ||
| 305 | N | 49 | Very low | 43.7 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 149.9 | 51.3 | 157.9 | -69.5 | -9.1 | 0 | 0 | 0 | 108.7 | T307 | N305-T307 VanDerWaalsContact C-N 3.32Å; N305-T307 PolarHBondContact O-N 3.24Å | ||
| 306 | L | 45.3 | Very low | 43.5 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -71.9 | 98.5 | 142.9 | -80.4 | 164.3 | 0 | 0 | 0 | 105.8 | L303 | L303-L306 HydrophobicContact CD2-CD1 3.87Å; L303-L306 HydrophobicContact CD2-CG 4.17Å | ||
| 307 | T | 46.1 | Very low | 43.6 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 102.4 | 151.2 | 41.2 | 0 | 0 | 0 | 0 | 105.4 | N305 D309 | N305-T307 VanDerWaalsContact C-N 3.32Å; N305-T307 PolarHBondContact O-N 3.24Å; T307-D309 PolarHBondContact O-N 2.97Å | ||
| 308 | L | 43.5 | Very low | 43.5 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 101 | 164 | -82 | 157.1 | 0 | 0 | 0 | 106.2 | ||||
| 309 | D | 44.5 | Very low | 43.6 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -110.4 | 110.1 | 163.8 | -79.3 | -29.6 | 0 | 0 | 0 | 107.8 | T307 | T307-D309 PolarHBondContact O-N 2.97Š| ||
| 310 | N | 39.2 | Very low | 43.7 | Very low | 239 Ų | 239 | 147.4 Ų | 147.4 | 100% | 1.278 | 80% | 0.797 | S | S | * | * | trans | 43 | 0 | 161.8 | -66.1 | -27.5 | 0 | 0 | 0 | 120 |
Retrieved 310 of 310 residues in 448.5 ms
(Link to these results)