| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.6 | Very low | 44.1 | Very low | 247 Ų | 247 | 145.2 Ų | 145.2 | 100% | 1.217 | 72% | 0.72 | S | S | * | * | 0 | 66 | 0 | -72.6 | -168.4 | -149.9 | 0 | 0 | 109.8 | |||||
| 2 | E | 48.1 | Very low | 44.3 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | trans | -130.6 | 7.3 | -173.9 | -74.1 | -175 | 146.3 | 0 | 0 | 114.7 | ||||
| 3 | M | 42.2 | Very low | 44.6 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -91.9 | -0.6 | 179.1 | -72.1 | -170.5 | 173.1 | 0 | 0 | 114.8 | F7 | M3-F7 VanDerWaalsContact O-CD2 3.29Å; M3-F7 WeakPolarHBondContact O-CD2 3.09Å; M3-F7 WeakPolarHBondContact O-CE2 3.39Å |
| 4 | K | 46.3 | Very low | 44.9 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -92.1 | -11.7 | -177.9 | -80.6 | -173.1 | 171.3 | -176.1 | 0 | 114.6 | ||
| 5 | K | 47.6 | Very low | 45.8 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -90.6 | -19.5 | -174 | -137.4 | 175.8 | -175.8 | -178.3 | 0 | 113.8 | ||
| 6 | S | 45.9 | Very low | 47.3 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -81.3 | -22.6 | -178.7 | 49.1 | 0 | 0 | 0 | 0 | 114 | T10 | S6-T10 PolarHBondContact O-OG1 3.06Å |
| 7 | F | 38.9 | Very low | 49.2 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 61% | 0.605 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.6 | -33.3 | -175.3 | -71.6 | -77.8 | 0 | 0 | 0 | 113.8 | M3 D9 T10 E11 | M3-F7 VanDerWaalsContact O-CD2 3.29Å; M3-F7 WeakPolarHBondContact O-CD2 3.09Å; M3-F7 WeakPolarHBondContact O-CE2 3.39Å; F7-D9 PolarHBondContact O-N 2.7Å; F7-T10 WeakPolarHBondContact CA-OG1 3.49Å; F7-T10 PolarHBondContact O-N 3.25Å; F7-T10 PolarHBondContact O-OG1 3.35Å; F7-E11 PolarHBondContact O-N 2.79Å |
| 8 | S | 46.1 | Very low | 51 | Low | 68 Ų | 68 | 128.3 Ų | 128.3 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.3 | -34.3 | -176.8 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | R12 | S8-R12 PolarHBondContact O-N 3.36Å |
| 9 | D | 43.7 | Very low | 52.6 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.4 | -34.2 | -179.8 | -67.6 | -14.5 | 0 | 0 | 0 | 111.1 | F7 A13 | F7-D9 PolarHBondContact O-N 2.7Å; D9-A13 WeakPolarHBondContact O-CB 3.25Å; D9-A13 PolarHBondContact O-N 3.35Å |
| 10 | T | 44 | Very low | 53.9 | Low | 75 Ų | 75 | 117.9 Ų | 117.9 | 46% | 0.46 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.1 | -40.1 | 172.4 | 30.5 | 0 | 0 | 0 | 0 | 113.3 | S6 F7 R12 A13 L14 | S6-T10 PolarHBondContact O-OG1 3.06Å; F7-T10 WeakPolarHBondContact CA-OG1 3.49Å; F7-T10 PolarHBondContact O-N 3.25Å; F7-T10 PolarHBondContact O-OG1 3.35Å; T10-R12 PolarHBondContact O-N 2.87Å; T10-A13 PolarHBondContact O-N 3.5Å; T10-L14 WeakPolarHBondContact O-CB 3.5Å; T10-L14 WeakPolarHBondContact O-CD1 3.49Å; T10-L14 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-N 3.11Å |
| 11 | E | 42.7 | Very low | 54.5 | Low | 157 Ų | 157 | 117.4 Ų | 117.4 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -36.5 | 178.8 | -90.9 | -171.9 | 143.6 | 0 | 0 | 112.7 | F7 L14 | F7-E11 PolarHBondContact O-N 2.79Å; E11-L14 PolarHBondContact O-N 3.45Å |
| 12 | R | 47 | Very low | 55.7 | Low | 182 Ų | 182 | 111.7 Ų | 111.7 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.6 | -33.1 | 178.1 | -156.4 | 176.7 | -158.7 | 166.5 | 1.9 | 112.4 | S8 T10 L14 | S8-R12 PolarHBondContact O-N 3.36Å; T10-R12 PolarHBondContact O-N 2.87Å; R12-L14 VanDerWaalsContact C-N 3.33Å |
| 13 | A | 47.2 | Very low | 56.3 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.1 | -20.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D9 T10 R15 | D9-A13 WeakPolarHBondContact O-CB 3.25Å; D9-A13 PolarHBondContact O-N 3.35Å; T10-A13 PolarHBondContact O-N 3.5Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.03Å |
| 14 | L | 49.7 | Very low | 57 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7.9 | -170.3 | -116.9 | 121 | 0 | 0 | 0 | 114.9 | T10 E11 R12 | T10-L14 WeakPolarHBondContact O-CB 3.5Å; T10-L14 WeakPolarHBondContact O-CD1 3.49Å; T10-L14 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-N 3.11Å; E11-L14 PolarHBondContact O-N 3.45Å; R12-L14 VanDerWaalsContact C-N 3.33Å |
| 15 | R | 58 | Low | 57.4 | Low | 223 Ų | 223 | 99.7 Ų | 99.7 | 84% | 0.842 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.8 | 55.7 | -178.8 | -62.2 | -174.2 | -176.1 | -96.4 | -0.9 | 112.8 | A13 | A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.03Å |
| 16 | S | 69.2 | Low | 57.8 | Low | 42 Ų | 42 | 97.1 Ų | 97.1 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | trans | -130.9 | 123.6 | 165.7 | -173 | 0 | 0 | 0 | 0 | 109.6 | G18 E66 | S16-G18 PolarHBondContact O-N 3.35Å; S16-G18 PolarHBondContact OG-N 3.02Å; S16-G18 PolarHBondContact OG-O 3.35Å; S16-E66 WeakPolarHBondContact CA-OE1 3.3Å; S16-E66 WeakPolarHBondContact CB-OE1 3.46Å; S16-E66 PolarHBondContact OG-OE1 3.44Å | ||
| 17 | Y | 80.5 | Confident | 57.9 | Low | 47 Ų | 47 | 99.3 Ų | 99.3 | 18% | 0.184 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -81.9 | 2.1 | 174.7 | -73.1 | -72.3 | 0 | 0 | 0 | 111.7 | E66 F69 M70 D73 L123 A127 | Y17-E66 PolarHBondContact N-OE1 3.39Å; Y17-E66 VanDerWaalsContact N-OE1 3.11Å; Y17-F69 HydrophobicContact CD1-CB 4.33Å; Y17-F69 HydrophobicContact CD2-CB 4.12Å; Y17-F69 HydrophobicContact CG-CB 3.94Å; Y17-M70 HydrophobicContact CD2-CB 4.4Å; Y17-M70 HydrophobicContact CD2-CG 3.4Å; Y17-M70 HydrophobicContact CE2-CB 4.36Å; Y17-M70 HydrophobicContact CE2-CG 3.62Å; Y17-D73 WeakPolarHBondContact OH-CB 3.41Å; Y17-D73 VanDerWaalsContact OH-CG 3.23Å; Y17-D73 PolarHBondContact OH-OD2 3.34Å; Y17-L123 HydrophobicContact CE1-CD2 4.18Å; Y17-A127 HydrophobicContact CD1-CB 3.39Å; Y17-A127 HydrophobicContact CE1-CB 4.1Å; Y17-A127 HydrophobicContact CG-CB 4.19Å |
| 18 | G | 81.1 | Confident | 58.4 | Low | 8 Ų | 8 | 99.2 Ų | 99.2 | 8% | 0.082 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -132.1 | 169 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | S16 | S16-G18 PolarHBondContact O-N 3.35Å; S16-G18 PolarHBondContact OG-N 3.02Å; S16-G18 PolarHBondContact OG-O 3.35Å |
| 19 | A | 81 | Confident | 58.4 | Low | 26 Ų | 26 | 106.1 Ų | 106.1 | 22% | 0.215 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -87.4 | -13.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | S21 R131 E134 | A19-S21 PolarHBondContact O-N 2.87Å; A19-S21 VanDerWaalsContact O-N 3.1Å; A19-S21 PolarHBondContact O-OG 3.38Å; A19-R131 HydrophobicContact CB-CG 4.27Å; A19-E134 HydrophobicContact CB-CB 3.71Å; A19-E134 WeakPolarHBondContact CB-OE2 3.36Å; A19-E134 PolarHBondContact N-OE2 3.21Å |
| 20 | V | 78.6 | Confident | 58.7 | Low | 23 Ų | 23 | 103.8 Ų | 103.8 | 14% | 0.139 | 56% | 0.558 | C | S | . | * | trans | -65 | 109.2 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | T23 V59 R62 | V20-T23 HydrophobicContact CG1-CG2 4.03Å; V20-V59 HydrophobicContact CG1-CG1 3.95Å; V20-R62 HydrophobicContact CG2-CB 3.7Å; V20-R62 HydrophobicContact CG2-CG 4.48Å | ||
| 21 | S | 67.3 | Low | 58.9 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 75% | 0.748 | 57% | 0.567 | S | S | * | * | trans | -80.3 | -32.9 | -175.6 | -39.3 | 0 | 0 | 0 | 0 | 113.4 | A19 | A19-S21 PolarHBondContact O-N 2.87Å; A19-S21 VanDerWaalsContact O-N 3.1Å; A19-S21 PolarHBondContact O-OG 3.38Å | ||
| 22 | E | 64.4 | Low | 59.1 | Low | 128 Ų | 128 | 103.9 Ų | 103.9 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | trans | -151.7 | 134.3 | -175.1 | -172.3 | 158.5 | -141.4 | 0 | 0 | 110.7 | A24 | E22-A24 HydrophobicContact CG-CB 3.68Š| ||
| 23 | T | 61 | Low | 59.3 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | trans | -107.5 | -4.6 | 170.5 | 58 | 0 | 0 | 0 | 0 | 111.7 | V20 W25 V59 | V20-T23 HydrophobicContact CG1-CG2 4.03Å; T23-W25 PolarHBondContact O-N 2.83Å; T23-V59 HydrophobicContact CG2-CG1 3.98Å | ||
| 24 | A | 56.5 | Low | 59.7 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | trans | -67.4 | 119.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E22 T26 | E22-A24 HydrophobicContact CG-CB 3.68Å; A24-T26 PolarHBondContact O-N 3Å | ||
| 25 | W | 54.2 | Low | 59.8 | Low | 159 Ų | 159 | 102.5 Ų | 102.5 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | trans | -69 | 117 | 170.7 | -82 | 78.2 | 0 | 0 | 0 | 108.7 | T23 T27 L56 | T23-W25 PolarHBondContact O-N 2.83Å; W25-T27 PolarHBondContact O-N 3.24Å; W25-L56 HydrophobicContact CZ2-CB 3.82Å; W25-L56 HydrophobicContact CZ2-CD1 3.63Å; W25-L56 HydrophobicContact CZ2-CD2 3.65Å; W25-L56 HydrophobicContact CZ2-CG 3.84Å | ||
| 26 | T | 56.1 | Low | 59.7 | Low | 124 Ų | 124 | 100.4 Ų | 100.4 | 76% | 0.761 | 57% | 0.572 | S | S | * | * | trans | -72.4 | 105 | 153.3 | 48.5 | 0 | 0 | 0 | 0 | 105.1 | A24 D28 | A24-T26 PolarHBondContact O-N 3Å; T26-D28 PolarHBondContact O-N 3.26Å | ||
| 27 | T | 49.1 | Very low | 59.1 | Low | 117 Ų | 117 | 101.5 Ų | 101.5 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | trans | -58.2 | 101.1 | 158.4 | 27.1 | 0 | 0 | 0 | 0 | 104.9 | W25 K29 | W25-T27 PolarHBondContact O-N 3.24Å; T27-K29 PolarHBondContact O-N 3.49Å | ||
| 28 | D | 48.4 | Very low | 57.9 | Low | 136 Ų | 136 | 108.5 Ų | 108.5 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | -50.7 | 118.9 | 165 | -161.3 | 11.9 | 0 | 0 | 0 | 104.7 | T26 G30 | T26-D28 PolarHBondContact O-N 3.26Å; D28-G30 PolarHBondContact O-N 3.29Å | ||
| 29 | K | 45.9 | Very low | 56.9 | Low | 212 Ų | 212 | 112.4 Ų | 112.4 | 92% | 0.922 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 78.3 | -171.5 | -72.6 | -175.4 | 176.5 | -176.8 | 0 | 107.8 | T27 | T27-K29 PolarHBondContact O-N 3.49Š|
| 30 | G | 50.4 | Low | 56.6 | Low | 70 Ų | 70 | 118 Ų | 118 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.4 | -22.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | D28 | D28-G30 PolarHBondContact O-N 3.29Š|
| 31 | H | 49.3 | Very low | 56.6 | Low | 140 Ų | 140 | 120.5 Ų | 120.5 | 65% | 0.648 | 69% | 0.687 | S | S | * | * | trans | -114.1 | 105.6 | 174 | -126.7 | -83 | 0 | 0 | 0 | 111.3 | ||||
| 32 | S | 47.1 | Very low | 57.6 | Low | 94 Ų | 94 | 117.5 Ų | 117.5 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | trans | -55.8 | 161.3 | 173.8 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | V34 | S32-V34 PolarHBondContact O-N 3.4Š| ||
| 33 | D | 49.7 | Very low | 58.7 | Low | 157 Ų | 157 | 116.1 Ų | 116.1 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | trans | -20.4 | 125 | 155.5 | -85.3 | -39.7 | 0 | 0 | 0 | 111.9 | S35 | D33-S35 PolarHBondContact O-N 3.38Š| ||
| 34 | V | 55.4 | Low | 60.1 | Low | 123 Ų | 123 | 119.7 Ų | 119.7 | 75% | 0.745 | 68% | 0.68 | S | S | * | * | trans | -65 | 86.1 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | S32 M36 | S32-V34 PolarHBondContact O-N 3.4Å; V34-M36 HydrophobicContact CG1-SD 4.28Å; V34-M36 PolarHBondContact O-N 3.03Å; V34-M36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | S | 52 | Low | 61.5 | Low | 82 Ų | 82 | 121.2 Ų | 121.2 | 57% | 0.573 | 68% | 0.676 | S | S | * | * | trans | -66 | 108.8 | 166.6 | -176.5 | 0 | 0 | 0 | 0 | 106.5 | D33 A37 | D33-S35 PolarHBondContact O-N 3.38Å; S35-A37 PolarHBondContact O-N 2.91Å | ||
| 36 | M | 57.1 | Low | 63.2 | Low | 180 Ų | 180 | 117.6 Ų | 117.6 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | trans | -66.1 | 9.9 | 176.4 | -66.1 | -74.6 | -84.8 | 0 | 0 | 113.1 | V34 E38 | V34-M36 HydrophobicContact CG1-SD 4.28Å; V34-M36 PolarHBondContact O-N 3.03Å; V34-M36 VanDerWaalsContact O-N 3.15Å; M36-E38 PolarHBondContact O-N 3.14Å | ||
| 37 | A | 55.5 | Low | 64.8 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -86.5 | 100.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | S35 S39 | S35-A37 PolarHBondContact O-N 2.91Å; A37-S39 VanDerWaalsContact C-N 3.33Å; A37-S39 PolarHBondContact O-N 2.69Å |
| 38 | E | 55 | Low | 66.7 | Low | 193 Ų | 193 | 115.1 Ų | 115.1 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | trans | 39.5 | 44.6 | 155.4 | -71.7 | -177.6 | 153 | 0 | 0 | 117.9 | M36 T40 | M36-E38 PolarHBondContact O-N 3.14Å; E38-T40 PolarHBondContact O-N 3.34Å | ||
| 39 | S | 61.5 | Low | 68.6 | Low | 91 Ų | 91 | 111.7 Ų | 111.7 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | trans | -85.8 | 100.5 | 163.2 | -65.4 | 0 | 0 | 0 | 0 | 108.7 | A37 M41 | A37-S39 VanDerWaalsContact C-N 3.33Å; A37-S39 PolarHBondContact O-N 2.69Å; S39-M41 VanDerWaalsContact C-N 3.27Å; S39-M41 PolarHBondContact O-N 3.14Å | ||
| 40 | T | 74.1 | Confident | 70.7 | Confident | 144 Ų | 144 | 106.8 Ų | 106.8 | 88% | 0.883 | 61% | 0.606 | S | S | * | * | trans | -70 | 91.1 | 165.5 | 29.5 | 0 | 0 | 0 | 0 | 107.7 | E38 S42 | E38-T40 PolarHBondContact O-N 3.34Å; T40-S42 PolarHBondContact O-N 3.49Å | ||
| 41 | M | 77.7 | Confident | 72.5 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 37% | 0.365 | 60% | 0.596 | S | S | . | * | trans | -57.3 | 132.6 | 173.8 | -62.7 | -70 | -87.4 | 0 | 0 | 108.8 | S39 E45 I46 E49 | S39-M41 VanDerWaalsContact C-N 3.27Å; S39-M41 PolarHBondContact O-N 3.14Å; M41-E45 HydrophobicContact CB-CB 4.43Å; M41-E45 HydrophobicContact CE-CB 3.91Å; M41-I46 HydrophobicContact CB-CD1 4.27Å; M41-I46 HydrophobicContact CB-CG1 3.75Å; M41-E49 HydrophobicContact CE-CG 4.22Å | ||
| 42 | S | 88.4 | Confident | 74.3 | Confident | 45 Ų | 45 | 104.9 Ų | 104.9 | 32% | 0.315 | 59% | 0.585 | S | S | . | * | trans | -64.7 | 154.2 | 172.7 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | T40 E44 E45 I46 | T40-S42 PolarHBondContact O-N 3.49Å; S42-E44 PolarHBondContact O-N 3.3Å; S42-E45 PolarHBondContact N-OE2 2.92Å; S42-E45 PolarHBondContact O-N 3.41Å; S42-E45 VanDerWaalsContact OG-CG 3.23Å; S42-E45 WeakPolarHBondContact OG-CG 3.31Å; S42-E45 PolarHBondContact OG-N 3.12Å; S42-E45 PolarHBondContact OG-OE2 3.43Å; S42-I46 WeakPolarHBondContact O-CG1 3.3Å; S42-I46 PolarHBondContact O-N 3.45Å | ||
| 43 | P | 89.1 | Confident | 76.3 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -53.3 | -37.6 | 177.4 | -27.6 | 35.5 | 0 | 0 | 0 | 113.4 | I46 E47 | P43-I46 PolarHBondContact O-N 3.49Å; P43-E47 WeakPolarHBondContact O-CG 3.5Å; P43-E47 PolarHBondContact O-N 2.91Å |
| 44 | E | 89.9 | Confident | 78.2 | Confident | 145 Ų | 145 | 102.4 Ų | 102.4 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -42.6 | 177 | -162.9 | 101.2 | -173.1 | 0 | 0 | 112.1 | S42 I46 E47 V48 | S42-E44 PolarHBondContact O-N 3.3Å; E44-I46 VanDerWaalsContact C-N 3.33Å; E44-I46 PolarHBondContact O-N 3.09Å; E44-E47 PolarHBondContact O-N 3.26Å; E44-V48 WeakPolarHBondContact O-CG2 3.5Å; E44-V48 PolarHBondContact O-N 3.28Å |
| 45 | E | 86.5 | Confident | 79.8 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.2 | -36.9 | 177 | -71.7 | 161.5 | 163.9 | 0 | 0 | 111.5 | M41 S42 V48 E49 | M41-E45 HydrophobicContact CB-CB 4.43Å; M41-E45 HydrophobicContact CE-CB 3.91Å; S42-E45 PolarHBondContact N-OE2 2.92Å; S42-E45 PolarHBondContact O-N 3.41Å; S42-E45 VanDerWaalsContact OG-CG 3.23Å; S42-E45 WeakPolarHBondContact OG-CG 3.31Å; S42-E45 PolarHBondContact OG-N 3.12Å; S42-E45 PolarHBondContact OG-OE2 3.43Å; E45-V48 PolarHBondContact O-N 2.98Å; E45-E49 WeakPolarHBondContact O-CG 3.37Å; E45-E49 PolarHBondContact O-N 3Å |
| 46 | I | 89.4 | Confident | 81.6 | Confident | 83 Ų | 83 | 104.1 Ų | 104.1 | 43% | 0.426 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.1 | -63.6 | 170.3 | 0 | 0 | 0 | 110.3 | M41 S42 P43 E44 V48 E49 M50 | M41-I46 HydrophobicContact CB-CD1 4.27Å; M41-I46 HydrophobicContact CB-CG1 3.75Å; S42-I46 WeakPolarHBondContact O-CG1 3.3Å; S42-I46 PolarHBondContact O-N 3.45Å; P43-I46 PolarHBondContact O-N 3.49Å; E44-I46 VanDerWaalsContact C-N 3.33Å; E44-I46 PolarHBondContact O-N 3.09Å; I46-V48 VanDerWaalsContact C-N 3.34Å; I46-V48 PolarHBondContact O-N 3.46Å; I46-E49 PolarHBondContact O-N 3.37Å; I46-M50 HydrophobicContact CG2-CE 4.23Å; I46-M50 HydrophobicContact CG2-CG 4.33Å; I46-M50 HydrophobicContact CG2-SD 4.39Å; I46-M50 WeakPolarHBondContact O-CB 3.25Å; I46-M50 VanDerWaalsContact O-CG 3.31Å; I46-M50 WeakPolarHBondContact O-CG 3.4Å; I46-M50 PolarHBondContact O-N 2.99Å |
| 47 | E | 90.3 | Very high | 83.3 | Confident | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 176.8 | -73.7 | 178.2 | -168.8 | 0 | 0 | 112.4 | P43 E44 M50 A51 | P43-E47 WeakPolarHBondContact O-CG 3.5Å; P43-E47 PolarHBondContact O-N 2.91Å; E44-E47 PolarHBondContact O-N 3.26Å; E47-M50 HydrophobicContact CB-CE 4.48Å; E47-M50 HydrophobicContact CG-CE 4.05Å; E47-M50 PolarHBondContact O-N 3.47Å; E47-A51 PolarHBondContact O-N 3.36Å |
| 48 | V | 88 | Confident | 85 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | E44 E45 I46 A51 R52 | E44-V48 WeakPolarHBondContact O-CG2 3.5Å; E44-V48 PolarHBondContact O-N 3.28Å; E45-V48 PolarHBondContact O-N 2.98Å; I46-V48 VanDerWaalsContact C-N 3.34Å; I46-V48 PolarHBondContact O-N 3.46Å; V48-A51 PolarHBondContact O-N 3.35Å; V48-R52 WeakPolarHBondContact O-CG 3.37Å; V48-R52 PolarHBondContact O-N 3.46Å |
| 49 | E | 87.8 | Confident | 86.7 | Confident | 64 Ų | 64 | 94.6 Ų | 94.6 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.8 | -72.1 | -54.2 | 133.9 | 0 | 0 | 112.5 | M41 E45 I46 A51 R52 I53 | M41-E49 HydrophobicContact CE-CG 4.22Å; E45-E49 WeakPolarHBondContact O-CG 3.37Å; E45-E49 PolarHBondContact O-N 3Å; I46-E49 PolarHBondContact O-N 3.37Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.38Å; E49-R52 WeakPolarHBondContact O-CB 3.4Å; E49-R52 PolarHBondContact O-N 3.4Å; E49-R52 WeakPolarHBondContact OE1-CD 3.39Å; E49-R52 IonicContact OE1-CZ 3.48Å; E49-R52 IonicContact OE1-NE 3.73Å; E49-R52 IonicContact OE1-NH1 3.15Å; E49-R52 PolarHBondContact OE1-NH1 2.99Å; E49-I53 WeakPolarHBondContact O-CG1 3.43Å; E49-I53 PolarHBondContact O-N 3.4Å |
| 50 | M | 90.1 | Very high | 88.1 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 173.2 | -74.5 | -168.2 | -59.1 | 0 | 0 | 111.7 | I46 E47 R52 I53 Q54 | I46-M50 HydrophobicContact CG2-CE 4.23Å; I46-M50 HydrophobicContact CG2-CG 4.33Å; I46-M50 HydrophobicContact CG2-SD 4.39Å; I46-M50 WeakPolarHBondContact O-CB 3.25Å; I46-M50 VanDerWaalsContact O-CG 3.31Å; I46-M50 WeakPolarHBondContact O-CG 3.4Å; I46-M50 PolarHBondContact O-N 2.99Å; E47-M50 HydrophobicContact CB-CE 4.48Å; E47-M50 HydrophobicContact CG-CE 4.05Å; E47-M50 PolarHBondContact O-N 3.47Å; M50-R52 VanDerWaalsContact C-N 3.32Å; M50-R52 PolarHBondContact O-N 2.97Å; M50-I53 PolarHBondContact O-N 3.32Å; M50-Q54 WeakPolarHBondContact O-CB 3.34Å; M50-Q54 PolarHBondContact O-N 2.9Å |
| 51 | A | 87.9 | Confident | 89 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E47 V48 E49 Q54 R55 | E47-A51 PolarHBondContact O-N 3.36Å; V48-A51 PolarHBondContact O-N 3.35Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.38Å; A51-Q54 PolarHBondContact O-N 2.93Å; A51-R55 PolarHBondContact O-N 3.26Å |
| 52 | R | 87.9 | Confident | 89.8 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 40% | 0.404 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 173.9 | -72 | 172.4 | -177.2 | -170.7 | -1.9 | 111.9 | V48 E49 M50 Q54 R55 L56 | V48-R52 WeakPolarHBondContact O-CG 3.37Å; V48-R52 PolarHBondContact O-N 3.46Å; E49-R52 WeakPolarHBondContact O-CB 3.4Å; E49-R52 PolarHBondContact O-N 3.4Å; E49-R52 WeakPolarHBondContact OE1-CD 3.39Å; E49-R52 IonicContact OE1-CZ 3.48Å; E49-R52 IonicContact OE1-NE 3.73Å; E49-R52 IonicContact OE1-NH1 3.15Å; E49-R52 PolarHBondContact OE1-NH1 2.99Å; M50-R52 VanDerWaalsContact C-N 3.32Å; M50-R52 PolarHBondContact O-N 2.97Å; R52-Q54 VanDerWaalsContact C-N 3.34Å; R52-Q54 PolarHBondContact O-N 2.9Å; R52-R55 PolarHBondContact O-N 3.11Å; R52-L56 PolarHBondContact O-N 3.46Å |
| 53 | I | 89 | Confident | 89.9 | Confident | 111 Ų | 111 | 91.4 Ų | 91.4 | 57% | 0.569 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 177.7 | -69.9 | 166.4 | 0 | 0 | 0 | 110.7 | E49 M50 R55 L56 R57 | E49-I53 WeakPolarHBondContact O-CG1 3.43Å; E49-I53 PolarHBondContact O-N 3.4Å; M50-I53 PolarHBondContact O-N 3.32Å; I53-R55 PolarHBondContact O-N 3.3Å; I53-L56 WeakPolarHBondContact O-CB 3.26Å; I53-L56 PolarHBondContact O-N 2.89Å; I53-R57 WeakPolarHBondContact O-CB 3.41Å; I53-R57 PolarHBondContact O-N 2.88Å |
| 54 | Q | 90.1 | Very high | 90.2 | Very high | 88 Ų | 88 | 91.9 Ų | 91.9 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.7 | -179 | 59.1 | 29.8 | 0 | 0 | 111.5 | M50 A51 R52 L56 R57 E58 | M50-Q54 WeakPolarHBondContact O-CB 3.34Å; M50-Q54 PolarHBondContact O-N 2.9Å; A51-Q54 PolarHBondContact O-N 2.93Å; R52-Q54 VanDerWaalsContact C-N 3.34Å; R52-Q54 PolarHBondContact O-N 2.9Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 3.36Å; Q54-R57 WeakPolarHBondContact O-CB 3.27Å; Q54-R57 PolarHBondContact O-N 3.33Å; Q54-E58 PolarHBondContact NE2-OE1 3.08Å; Q54-E58 WeakPolarHBondContact O-CG 3.42Å; Q54-E58 PolarHBondContact O-N 2.99Å |
| 55 | R | 89.4 | Confident | 90.4 | Very high | 188 Ų | 188 | 85.9 Ų | 85.9 | 71% | 0.709 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 175.3 | -173.6 | -179.9 | -175.8 | -130.6 | -0.5 | 111.9 | A51 R52 I53 R57 E58 V59 | A51-R55 PolarHBondContact O-N 3.26Å; R52-R55 PolarHBondContact O-N 3.11Å; I53-R55 PolarHBondContact O-N 3.3Å; R55-R57 VanDerWaalsContact C-N 3.35Å; R55-E58 PolarHBondContact O-N 3.42Å; R55-V59 WeakPolarHBondContact O-CG2 3.34Å; R55-V59 PolarHBondContact O-N 3.2Å; R55-V59 VanDerWaalsContact O-N 3.13Å |
| 56 | L | 88.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 81.6 Ų | 81.6 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.5 | -176.2 | 49.7 | 0 | 0 | 0 | 111.5 | W25 R52 I53 Q54 E58 V59 L60 | W25-L56 HydrophobicContact CZ2-CB 3.82Å; W25-L56 HydrophobicContact CZ2-CD1 3.63Å; W25-L56 HydrophobicContact CZ2-CD2 3.65Å; W25-L56 HydrophobicContact CZ2-CG 3.84Å; R52-L56 PolarHBondContact O-N 3.46Å; I53-L56 WeakPolarHBondContact O-CB 3.26Å; I53-L56 PolarHBondContact O-N 2.89Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 3.36Å; L56-E58 VanDerWaalsContact C-N 3.27Å; L56-E58 PolarHBondContact O-N 3.04Å; L56-V59 PolarHBondContact O-N 2.89Å; L56-L60 HydrophobicContact CD1-CD1 4.12Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CD2-CD1 4.5Å; L56-L60 HydrophobicContact CG-CD1 3.93Å; L56-L60 HydrophobicContact CG-CG 4.33Å; L56-L60 WeakPolarHBondContact O-CG 3.36Å; L56-L60 PolarHBondContact O-N 3.37Å |
| 57 | R | 92.6 | Very high | 90.9 | Very high | 145 Ų | 145 | 82 Ų | 82 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.1 | -44.8 | 178.9 | -179.7 | -177 | 175 | -79.9 | -3.8 | 110.8 | I53 Q54 R55 L60 V61 | I53-R57 WeakPolarHBondContact O-CB 3.41Å; I53-R57 PolarHBondContact O-N 2.88Å; Q54-R57 WeakPolarHBondContact O-CB 3.27Å; Q54-R57 PolarHBondContact O-N 3.33Å; R55-R57 VanDerWaalsContact C-N 3.35Å; R57-L60 PolarHBondContact O-N 3.32Å; R57-V61 HydrophobicContact CG-CG2 4.44Å; R57-V61 VanDerWaalsContact O-CG2 3.27Å; R57-V61 WeakPolarHBondContact O-CG2 3.39Å; R57-V61 PolarHBondContact O-N 2.97Å |
| 58 | E | 91.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 82.5 Ų | 82.5 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 178.4 | -71.1 | 167.4 | -165.6 | 0 | 0 | 112.3 | Q54 R55 L56 L60 V61 R62 | Q54-E58 PolarHBondContact NE2-OE1 3.08Å; Q54-E58 WeakPolarHBondContact O-CG 3.42Å; Q54-E58 PolarHBondContact O-N 2.99Å; R55-E58 PolarHBondContact O-N 3.42Å; L56-E58 VanDerWaalsContact C-N 3.27Å; L56-E58 PolarHBondContact O-N 3.04Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.15Å; E58-V61 PolarHBondContact O-N 3.38Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 3.46Å; E58-R62 VanDerWaalsContact O-N 3.12Å |
| 59 | V | 90.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 81.1 Ų | 81.1 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V20 T23 R55 L56 R62 R63 | V20-V59 HydrophobicContact CG1-CG1 3.95Å; T23-V59 HydrophobicContact CG2-CG1 3.98Å; R55-V59 WeakPolarHBondContact O-CG2 3.34Å; R55-V59 PolarHBondContact O-N 3.2Å; R55-V59 VanDerWaalsContact O-N 3.13Å; L56-V59 PolarHBondContact O-N 2.89Å; V59-R62 PolarHBondContact O-N 3.06Å; V59-R63 PolarHBondContact O-N 2.92Å |
| 60 | L | 91.4 | Very high | 92 | Very high | 97 Ų | 97 | 80.5 Ų | 80.5 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 179.9 | -70.4 | 174.6 | 0 | 0 | 0 | 112.3 | L56 R57 E58 R62 R63 E64 | L56-L60 HydrophobicContact CD1-CD1 4.12Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CD2-CD1 4.5Å; L56-L60 HydrophobicContact CG-CD1 3.93Å; L56-L60 HydrophobicContact CG-CG 4.33Å; L56-L60 WeakPolarHBondContact O-CG 3.36Å; L56-L60 PolarHBondContact O-N 3.37Å; R57-L60 PolarHBondContact O-N 3.32Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.15Å; L60-R62 PolarHBondContact O-N 2.94Å; L60-R63 PolarHBondContact O-N 3.22Å; L60-E64 WeakPolarHBondContact O-CB 3.47Å; L60-E64 PolarHBondContact O-N 2.64Å |
| 61 | V | 93.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 81 Ų | 81 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.4 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | R57 E58 E64 S65 | R57-V61 HydrophobicContact CG-CG2 4.44Å; R57-V61 VanDerWaalsContact O-CG2 3.27Å; R57-V61 WeakPolarHBondContact O-CG2 3.39Å; R57-V61 PolarHBondContact O-N 2.97Å; E58-V61 PolarHBondContact O-N 3.38Å; V61-E64 PolarHBondContact O-N 3.31Å; V61-S65 PolarHBondContact O-N 2.75Å; V61-S65 PolarHBondContact O-OG 3.38Å |
| 62 | R | 93.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 81.8 Ų | 81.8 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 173 | -70.7 | -174 | -178.3 | 105.5 | -3 | 111.3 | V20 E58 V59 L60 E64 S65 E66 E134 E137 | V20-R62 HydrophobicContact CG2-CB 3.7Å; V20-R62 HydrophobicContact CG2-CG 4.48Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 3.46Å; E58-R62 VanDerWaalsContact O-N 3.12Å; V59-R62 PolarHBondContact O-N 3.06Å; L60-R62 PolarHBondContact O-N 2.94Å; R62-E64 VanDerWaalsContact C-N 3.34Å; R62-E64 PolarHBondContact O-N 2.72Å; R62-S65 WeakPolarHBondContact O-CB 3.3Å; R62-S65 PolarHBondContact O-N 3.03Å; R62-S65 VanDerWaalsContact O-N 3.12Å; R62-E66 PolarHBondContact O-N 2.87Å; R62-E134 VanDerWaalsContact CB-OE1 3.31Å; R62-E134 WeakPolarHBondContact CB-OE1 3.43Å; R62-E134 WeakPolarHBondContact CD-OE1 3.4Å; R62-E134 HydrophobicContact CG-CG 4.4Å; R62-E134 WeakPolarHBondContact CG-OE1 3.34Å; R62-E137 IonicContact CZ-OE2 2.69Å; R62-E137 IonicContact NE-OE2 3.33Å; R62-E137 IonicContact NH2-OE2 3.62Å; R62-E137 PolarHBondContact NH2-OE2 2.97Å |
| 63 | R | 92.1 | Very high | 93.3 | Very high | 92 Ų | 92 | 77.8 Ų | 77.8 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.2 | -172.5 | 56.5 | 170.2 | -159.3 | -1.2 | 113 | V59 L60 S65 E66 L67 | V59-R63 PolarHBondContact O-N 2.92Å; L60-R63 PolarHBondContact O-N 3.22Å; R63-S65 VanDerWaalsContact C-N 3.32Å; R63-E66 WeakPolarHBondContact CD-OE2 3.03Å; R63-E66 IonicContact CZ-OE2 3.7Å; R63-E66 IonicContact NE-OE2 3.46Å; R63-E66 IonicContact NH1-OE1 3.17Å; R63-E66 IonicContact NH1-OE2 3.92Å; R63-E66 PolarHBondContact NH1-OE2 3.08Å; R63-E66 WeakPolarHBondContact O-CB 3.39Å; R63-E66 PolarHBondContact O-N 3.49Å; R63-L67 HydrophobicContact CG-CD1 4.25Å; R63-L67 WeakPolarHBondContact O-CB 3.24Å; R63-L67 WeakPolarHBondContact O-CD1 3.5Å; R63-L67 VanDerWaalsContact O-CG 3.29Å; R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 2.91Å |
| 64 | E | 93.7 | Very high | 93.7 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 173.1 | -178.2 | -173 | 172.8 | 0 | 0 | 111.2 | L60 V61 R62 L67 R68 | L60-E64 WeakPolarHBondContact O-CB 3.47Å; L60-E64 PolarHBondContact O-N 2.64Å; V61-E64 PolarHBondContact O-N 3.31Å; R62-E64 VanDerWaalsContact C-N 3.34Å; R62-E64 PolarHBondContact O-N 2.72Å; E64-L67 PolarHBondContact O-N 2.93Å; E64-R68 WeakPolarHBondContact O-CG 3.27Å; E64-R68 PolarHBondContact O-N 2.96Å |
| 65 | S | 94.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 76.9 Ų | 76.9 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | V61 R62 R63 L67 R68 F69 | V61-S65 PolarHBondContact O-N 2.75Å; V61-S65 PolarHBondContact O-OG 3.38Å; R62-S65 WeakPolarHBondContact O-CB 3.3Å; R62-S65 PolarHBondContact O-N 3.03Å; R62-S65 VanDerWaalsContact O-N 3.12Å; R63-S65 VanDerWaalsContact C-N 3.32Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact O-N 3.41Å; S65-R68 WeakPolarHBondContact O-CB 3.37Å; S65-R68 PolarHBondContact O-N 2.8Å; S65-R68 VanDerWaalsContact O-N 3.16Å; S65-R68 PolarHBondContact OG-NH2 3.49Å; S65-F69 VanDerWaalsContact O-CD2 3.27Å; S65-F69 WeakPolarHBondContact O-CD2 3.11Å; S65-F69 PolarHBondContact O-N 3.2Å; S65-F69 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 93.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 2% | 0.023 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 171.7 | -167.1 | -169.4 | 177.8 | 0 | 0 | 112.3 | S16 Y17 R62 R63 R68 F69 M70 | S16-E66 WeakPolarHBondContact CA-OE1 3.3Å; S16-E66 WeakPolarHBondContact CB-OE1 3.46Å; S16-E66 PolarHBondContact OG-OE1 3.44Å; Y17-E66 PolarHBondContact N-OE1 3.39Å; Y17-E66 VanDerWaalsContact N-OE1 3.11Å; R62-E66 PolarHBondContact O-N 2.87Å; R63-E66 WeakPolarHBondContact CD-OE2 3.03Å; R63-E66 IonicContact CZ-OE2 3.7Å; R63-E66 IonicContact NE-OE2 3.46Å; R63-E66 IonicContact NH1-OE1 3.17Å; R63-E66 IonicContact NH1-OE2 3.92Å; R63-E66 PolarHBondContact NH1-OE2 3.08Å; R63-E66 WeakPolarHBondContact O-CB 3.39Å; R63-E66 PolarHBondContact O-N 3.49Å; E66-R68 VanDerWaalsContact C-N 3.29Å; E66-R68 PolarHBondContact O-N 3.48Å; E66-F69 PolarHBondContact O-N 3.37Å; E66-M70 HydrophobicContact CG-CE 4.3Å; E66-M70 PolarHBondContact O-N 3Å |
| 67 | L | 94.3 | Very high | 95 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 48% | 0.482 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 177.2 | -75 | 162.2 | 0 | 0 | 0 | 112.2 | R63 E64 S65 M70 M71 | R63-L67 HydrophobicContact CG-CD1 4.25Å; R63-L67 WeakPolarHBondContact O-CB 3.24Å; R63-L67 WeakPolarHBondContact O-CD1 3.5Å; R63-L67 VanDerWaalsContact O-CG 3.29Å; R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 2.91Å; E64-L67 PolarHBondContact O-N 2.93Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact O-N 3.41Å; L67-M70 HydrophobicContact CD2-CE 3.5Å; L67-M70 HydrophobicContact CG-CE 4.03Å; L67-M70 PolarHBondContact O-N 3.36Å; L67-M71 WeakPolarHBondContact O-CB 3.37Å; L67-M71 PolarHBondContact O-N 3.33Å |
| 68 | R | 96.4 | Very high | 95.3 | Very high | 130 Ų | 130 | 66.6 Ų | 66.6 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 174.3 | -73.3 | -173.8 | -72 | 157.1 | -0.4 | 111.8 | E64 S65 E66 M70 M71 D72 | E64-R68 WeakPolarHBondContact O-CG 3.27Å; E64-R68 PolarHBondContact O-N 2.96Å; S65-R68 WeakPolarHBondContact O-CB 3.37Å; S65-R68 PolarHBondContact O-N 2.8Å; S65-R68 VanDerWaalsContact O-N 3.16Å; S65-R68 PolarHBondContact OG-NH2 3.49Å; E66-R68 VanDerWaalsContact C-N 3.29Å; E66-R68 PolarHBondContact O-N 3.48Å; R68-M70 VanDerWaalsContact C-N 3.33Å; R68-M70 PolarHBondContact O-N 3.49Å; R68-M71 PolarHBondContact O-N 3.23Å; R68-D72 PolarHBondContact O-N 3.43Å |
| 69 | F | 96.5 | Very high | 95.7 | Very high | 42 Ų | 42 | 67 Ų | 67 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 173.2 | -76.4 | -68.9 | 0 | 0 | 0 | 112.2 | Y17 S65 E66 M71 D72 D73 L123 D126 A127 E130 | Y17-F69 HydrophobicContact CD1-CB 4.33Å; Y17-F69 HydrophobicContact CD2-CB 4.12Å; Y17-F69 HydrophobicContact CG-CB 3.94Å; S65-F69 VanDerWaalsContact O-CD2 3.27Å; S65-F69 WeakPolarHBondContact O-CD2 3.11Å; S65-F69 PolarHBondContact O-N 3.2Å; S65-F69 VanDerWaalsContact O-N 3.13Å; E66-F69 PolarHBondContact O-N 3.37Å; F69-M71 PolarHBondContact O-N 2.99Å; F69-D72 PolarHBondContact O-N 3.04Å; F69-D73 PolarHBondContact O-N 3.35Å; F69-L123 HydrophobicContact CD1-CD2 4.38Å; F69-L123 HydrophobicContact CD1-CG 4.1Å; F69-D126 HydrophobicContact CE1-CB 4.08Å; F69-D126 HydrophobicContact CZ-CB 4.49Å; F69-A127 HydrophobicContact CD1-CB 3.85Å; F69-A127 HydrophobicContact CD2-CB 4.23Å; F69-A127 HydrophobicContact CE1-CB 4Å; F69-A127 HydrophobicContact CE2-CB 4.37Å; F69-A127 HydrophobicContact CG-CB 3.98Å; F69-A127 HydrophobicContact CZ-CB 4.25Å; F69-E130 HydrophobicContact CE2-CB 4.28Å; F69-E130 HydrophobicContact CE2-CG 4.31Å |
| 70 | M | 96 | Very high | 96.1 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.6 | -72.3 | -168.1 | -82.1 | 0 | 0 | 112.6 | Y17 E66 L67 R68 D72 D73 I74 | Y17-M70 HydrophobicContact CD2-CB 4.4Å; Y17-M70 HydrophobicContact CD2-CG 3.4Å; Y17-M70 HydrophobicContact CE2-CB 4.36Å; Y17-M70 HydrophobicContact CE2-CG 3.62Å; E66-M70 HydrophobicContact CG-CE 4.3Å; E66-M70 PolarHBondContact O-N 3Å; L67-M70 HydrophobicContact CD2-CE 3.5Å; L67-M70 HydrophobicContact CG-CE 4.03Å; L67-M70 PolarHBondContact O-N 3.36Å; R68-M70 VanDerWaalsContact C-N 3.33Å; R68-M70 PolarHBondContact O-N 3.49Å; M70-D72 VanDerWaalsContact C-N 3.34Å; M70-D73 PolarHBondContact O-N 2.97Å; M70-I74 WeakPolarHBondContact O-CB 3.2Å; M70-I74 WeakPolarHBondContact O-CD1 3.46Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 3.24Å |
| 71 | M | 97.2 | Very high | 96.4 | Very high | 117 Ų | 117 | 67.5 Ų | 67.5 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 179.6 | -176.8 | 179.8 | 65.8 | 0 | 0 | 111.2 | L67 R68 F69 I74 Q75 | L67-M71 WeakPolarHBondContact O-CB 3.37Å; L67-M71 PolarHBondContact O-N 3.33Å; R68-M71 PolarHBondContact O-N 3.23Å; F69-M71 PolarHBondContact O-N 2.99Å; M71-I74 PolarHBondContact O-N 3.39Å; M71-Q75 PolarHBondContact O-N 3.22Å |
| 72 | D | 97.9 | Very high | 96.7 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 178.8 | -73.5 | -14.8 | 0 | 0 | 0 | 111.8 | R68 F69 M70 I74 Q75 L76 L123 | R68-D72 PolarHBondContact O-N 3.43Å; F69-D72 PolarHBondContact O-N 3.04Å; M70-D72 VanDerWaalsContact C-N 3.34Å; D72-I74 PolarHBondContact O-N 3.09Å; D72-Q75 PolarHBondContact O-N 3.23Å; D72-L76 WeakPolarHBondContact O-CG 3.31Å; D72-L76 PolarHBondContact O-N 3.42Å; D72-L123 HydrophobicContact CB-CD1 3.49Å; D72-L123 VanDerWaalsContact CB-CD1 3.49Å |
| 73 | D | 98 | Very high | 96.9 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 174 | -178.7 | 36.4 | 0 | 0 | 0 | 111.7 | Y17 F69 M70 Q75 L76 C77 R120 L123 | Y17-D73 WeakPolarHBondContact OH-CB 3.41Å; Y17-D73 VanDerWaalsContact OH-CG 3.23Å; Y17-D73 PolarHBondContact OH-OD2 3.34Å; F69-D73 PolarHBondContact O-N 3.35Å; M70-D73 PolarHBondContact O-N 2.97Å; D73-Q75 VanDerWaalsContact C-N 3.3Å; D73-Q75 PolarHBondContact O-N 3.06Å; D73-L76 PolarHBondContact O-N 3.02Å; D73-C77 WeakPolarHBondContact O-CB 3.21Å; D73-C77 PolarHBondContact O-N 2.88Å; D73-C77 PolarHBondContact O-SG 3.41Å; D73-R120 IonicContact OD1-CZ 3.72Å; D73-R120 IonicContact OD1-NE 3.31Å; D73-R120 PolarHBondContact OD1-NE 3.07Å; D73-R120 IonicContact OD1-NH2 3.61Å; D73-L123 HydrophobicContact CB-CD2 4.01Å |
| 74 | I | 97.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 67.1 Ų | 67.1 | 46% | 0.462 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 174.9 | -72.4 | 164.8 | 0 | 0 | 0 | 110.6 | M70 M71 D72 C77 K78 | M70-I74 WeakPolarHBondContact O-CB 3.2Å; M70-I74 WeakPolarHBondContact O-CD1 3.46Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 3.24Å; M71-I74 PolarHBondContact O-N 3.39Å; D72-I74 PolarHBondContact O-N 3.09Å; I74-C77 PolarHBondContact O-N 3.46Å; I74-K78 HydrophobicContact CG2-CD 4.27Å; I74-K78 WeakPolarHBondContact O-CG 3.35Å; I74-K78 PolarHBondContact O-N 3.33Å |
| 75 | Q | 98.5 | Very high | 97.4 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | 179.7 | -169.8 | 56.3 | 46.7 | 0 | 0 | 111.5 | M71 D72 D73 C77 K78 D79 | M71-Q75 PolarHBondContact O-N 3.22Å; D72-Q75 PolarHBondContact O-N 3.23Å; D73-Q75 VanDerWaalsContact C-N 3.3Å; D73-Q75 PolarHBondContact O-N 3.06Å; Q75-C77 VanDerWaalsContact C-N 3.29Å; Q75-C77 PolarHBondContact O-N 3.23Å; Q75-K78 WeakPolarHBondContact O-CB 3.48Å; Q75-K78 PolarHBondContact O-N 3.11Å; Q75-D79 PolarHBondContact NE2-OD1 3.49Å; Q75-D79 VanDerWaalsContact O-CG 3.31Å; Q75-D79 PolarHBondContact O-N 3.36Å |
| 76 | L | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.4 | -43 | 173.7 | -69.3 | 172.4 | 0 | 0 | 0 | 111.4 | D72 D73 K78 D79 I80 L116 K119 R120 L123 | D72-L76 WeakPolarHBondContact O-CG 3.31Å; D72-L76 PolarHBondContact O-N 3.42Å; D73-L76 PolarHBondContact O-N 3.02Å; L76-K78 PolarHBondContact O-N 3.07Å; L76-D79 PolarHBondContact O-N 2.92Å; L76-I80 WeakPolarHBondContact O-CB 3.42Å; L76-I80 WeakPolarHBondContact O-CD1 3.35Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 2.95Å; L76-L116 HydrophobicContact CD2-CD2 4Å; L76-K119 HydrophobicContact CD1-CG 4.25Å; L76-K119 HydrophobicContact CD2-CB 4.44Å; L76-K119 HydrophobicContact CD2-CD 3.84Å; L76-K119 HydrophobicContact CD2-CG 4.12Å; L76-R120 HydrophobicContact CD1-CB 3.97Å; L76-R120 HydrophobicContact CD1-CG 4.45Å; L76-L123 HydrophobicContact CD1-CD1 4.07Å |
| 77 | C | 98.4 | Very high | 97.9 | Very high | 39 Ų | 39 | 71 Ų | 71 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.9 | -74.7 | 0 | 0 | 0 | 0 | 112.1 | D73 I74 Q75 I80 M81 | D73-C77 WeakPolarHBondContact O-CB 3.21Å; D73-C77 PolarHBondContact O-N 2.88Å; D73-C77 PolarHBondContact O-SG 3.41Å; I74-C77 PolarHBondContact O-N 3.46Å; Q75-C77 VanDerWaalsContact C-N 3.29Å; Q75-C77 PolarHBondContact O-N 3.23Å; C77-I80 PolarHBondContact O-N 3.06Å; C77-M81 VanDerWaalsContact O-CB 3.3Å; C77-M81 WeakPolarHBondContact O-CB 3.45Å; C77-M81 WeakPolarHBondContact O-CG 3.3Å; C77-M81 PolarHBondContact O-N 3.49Å |
| 78 | K | 98.7 | Very high | 98 | Very high | 122 Ų | 122 | 73 Ų | 73 | 53% | 0.53 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.1 | -74.6 | 171.8 | -178.3 | 173.2 | 0 | 111.6 | I74 Q75 L76 M81 S82 | I74-K78 HydrophobicContact CG2-CD 4.27Å; I74-K78 WeakPolarHBondContact O-CG 3.35Å; I74-K78 PolarHBondContact O-N 3.33Å; Q75-K78 WeakPolarHBondContact O-CB 3.48Å; Q75-K78 PolarHBondContact O-N 3.11Å; L76-K78 PolarHBondContact O-N 3.07Å; K78-M81 PolarHBondContact O-N 2.7Å; K78-S82 PolarHBondContact O-N 2.97Å |
| 79 | D | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 72.1 Ų | 72.1 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | -179.1 | -64 | -11.8 | 0 | 0 | 0 | 110.8 | Q75 L76 M81 S82 L83 L116 | Q75-D79 PolarHBondContact NE2-OD1 3.49Å; Q75-D79 VanDerWaalsContact O-CG 3.31Å; Q75-D79 PolarHBondContact O-N 3.36Å; L76-D79 PolarHBondContact O-N 2.92Å; D79-M81 VanDerWaalsContact C-N 3.33Å; D79-M81 PolarHBondContact O-N 3.46Å; D79-S82 PolarHBondContact O-N 3.16Å; D79-L83 WeakPolarHBondContact O-CG 3.39Å; D79-L83 PolarHBondContact O-N 3.18Å; D79-L116 HydrophobicContact CB-CD1 3.79Å |
| 80 | I | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.8 | -69.9 | 165.8 | 0 | 0 | 0 | 110.8 | L76 C77 L83 K84 L116 V117 | L76-I80 WeakPolarHBondContact O-CB 3.42Å; L76-I80 WeakPolarHBondContact O-CD1 3.35Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 2.95Å; C77-I80 PolarHBondContact O-N 3.06Å; I80-L83 PolarHBondContact O-N 3.48Å; I80-K84 HydrophobicContact CG2-CD 3.87Å; I80-K84 HydrophobicContact CG2-CG 4.28Å; I80-K84 VanDerWaalsContact O-CB 3.3Å; I80-K84 WeakPolarHBondContact O-CB 3.47Å; I80-K84 VanDerWaalsContact O-CG 3.27Å; I80-K84 WeakPolarHBondContact O-CG 3.4Å; I80-K84 PolarHBondContact O-N 3.41Å; I80-L116 HydrophobicContact CD1-CB 3.96Å; I80-L116 HydrophobicContact CG1-CB 3.54Å; I80-L116 HydrophobicContact CG1-CD1 3.95Å; I80-L116 HydrophobicContact CG1-CG 4.43Å; I80-V117 HydrophobicContact CD1-CG2 4.03Å |
| 81 | M | 98.7 | Very high | 98.1 | Very high | 131 Ų | 131 | 72.5 Ų | 72.5 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 179.5 | -78.8 | 179.6 | 63.8 | 0 | 0 | 112.2 | C77 K78 D79 K84 Q85 | C77-M81 VanDerWaalsContact O-CB 3.3Å; C77-M81 WeakPolarHBondContact O-CB 3.45Å; C77-M81 WeakPolarHBondContact O-CG 3.3Å; C77-M81 PolarHBondContact O-N 3.49Å; K78-M81 PolarHBondContact O-N 2.7Å; D79-M81 VanDerWaalsContact C-N 3.33Å; D79-M81 PolarHBondContact O-N 3.46Å; M81-K84 PolarHBondContact O-N 3.11Å; M81-Q85 WeakPolarHBondContact O-CB 3.34Å; M81-Q85 PolarHBondContact O-N 2.72Å |
| 82 | S | 98.7 | Very high | 98 | Very high | 65 Ų | 65 | 71 Ų | 71 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -52.1 | 175.2 | -170.3 | 0 | 0 | 0 | 0 | 111 | K78 D79 K84 Q85 E86 | K78-S82 PolarHBondContact O-N 2.97Å; D79-S82 PolarHBondContact O-N 3.16Å; S82-K84 VanDerWaalsContact C-N 3.32Å; S82-K84 PolarHBondContact O-N 2.82Å; S82-Q85 WeakPolarHBondContact O-CA 3.45Å; S82-Q85 WeakPolarHBondContact O-CB 3.39Å; S82-Q85 PolarHBondContact O-N 2.93Å; S82-E86 PolarHBondContact O-N 3.39Å |
| 83 | L | 98.8 | Very high | 97.9 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 179.5 | -67.1 | 171.8 | 0 | 0 | 0 | 112.1 | D79 I80 Q85 E86 L87 L109 K112 I113 L116 | D79-L83 WeakPolarHBondContact O-CG 3.39Å; D79-L83 PolarHBondContact O-N 3.18Å; I80-L83 PolarHBondContact O-N 3.48Å; L83-Q85 VanDerWaalsContact C-N 3.27Å; L83-Q85 PolarHBondContact O-N 3.29Å; L83-E86 PolarHBondContact O-N 3.48Å; L83-L87 WeakPolarHBondContact O-CB 3.29Å; L83-L87 PolarHBondContact O-N 3.36Å; L83-L109 HydrophobicContact CD2-CD2 3.68Å; L83-K112 HydrophobicContact CD1-CB 3.92Å; L83-K112 HydrophobicContact CD2-CD 4.45Å; L83-I113 HydrophobicContact CB-CD1 4Å; L83-I113 HydrophobicContact CB-CG1 3.55Å; L83-I113 HydrophobicContact CD1-CG1 4.14Å; L83-L116 HydrophobicContact CD1-CD1 3.55Å |
| 84 | K | 98.4 | Very high | 97.8 | Very high | 92 Ų | 92 | 71.2 Ų | 71.2 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 173.7 | -79.1 | -179.6 | 177.7 | 179.8 | 0 | 111.8 | I80 M81 S82 R88 I113 | I80-K84 HydrophobicContact CG2-CD 3.87Å; I80-K84 HydrophobicContact CG2-CG 4.28Å; I80-K84 VanDerWaalsContact O-CB 3.3Å; I80-K84 WeakPolarHBondContact O-CB 3.47Å; I80-K84 VanDerWaalsContact O-CG 3.27Å; I80-K84 WeakPolarHBondContact O-CG 3.4Å; I80-K84 PolarHBondContact O-N 3.41Å; M81-K84 PolarHBondContact O-N 3.11Å; S82-K84 VanDerWaalsContact C-N 3.32Å; S82-K84 PolarHBondContact O-N 2.82Å; K84-R88 WeakPolarHBondContact O-CG 3.35Å; K84-R88 PolarHBondContact O-N 3.41Å; K84-I113 HydrophobicContact CG-CD1 3.92Å; K84-I113 HydrophobicContact CG-CG1 4.49Å |
| 85 | Q | 98.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 72 Ų | 72 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 176.1 | -176.3 | 61.7 | 16.5 | 0 | 0 | 111.3 | M81 S82 L83 R88 Q89 | M81-Q85 WeakPolarHBondContact O-CB 3.34Å; M81-Q85 PolarHBondContact O-N 2.72Å; S82-Q85 WeakPolarHBondContact O-CA 3.45Å; S82-Q85 WeakPolarHBondContact O-CB 3.39Å; S82-Q85 PolarHBondContact O-N 2.93Å; L83-Q85 VanDerWaalsContact C-N 3.27Å; L83-Q85 PolarHBondContact O-N 3.29Å; Q85-R88 PolarHBondContact O-N 2.85Å; Q85-R88 VanDerWaalsContact OE1-CZ 3.26Å; Q85-Q89 PolarHBondContact O-N 3.19Å |
| 86 | E | 98.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 77.7 Ų | 77.7 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 173.7 | -68.7 | 173.4 | -120.1 | 0 | 0 | 111.5 | S82 L83 R88 Q89 I90 L109 | S82-E86 PolarHBondContact O-N 3.39Å; L83-E86 PolarHBondContact O-N 3.48Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 2.97Å; E86-Q89 WeakPolarHBondContact O-CB 3.44Å; E86-Q89 PolarHBondContact O-N 3.38Å; E86-Q89 VanDerWaalsContact O-N 3.11Å; E86-I90 PolarHBondContact O-N 3.39Å; E86-L109 HydrophobicContact CB-CD1 4Å; E86-L109 HydrophobicContact CB-CD2 4.29Å |
| 87 | L | 98.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 83.6 Ų | 83.6 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.4 | -179.6 | 62.7 | 0 | 0 | 0 | 111.5 | L83 Q89 I90 V91 E106 L109 I110 I113 | L83-L87 WeakPolarHBondContact O-CB 3.29Å; L83-L87 PolarHBondContact O-N 3.36Å; L87-Q89 PolarHBondContact O-N 3.38Å; L87-I90 PolarHBondContact O-N 2.96Å; L87-I90 VanDerWaalsContact O-N 3.14Å; L87-V91 HydrophobicContact CD1-CG2 4Å; L87-V91 HydrophobicContact CG-CG2 4.11Å; L87-V91 WeakPolarHBondContact O-CB 3.48Å; L87-V91 VanDerWaalsContact O-CG2 3.31Å; L87-V91 WeakPolarHBondContact O-CG2 3.42Å; L87-V91 PolarHBondContact O-N 2.88Å; L87-E106 HydrophobicContact CD1-CB 4.43Å; L87-E106 HydrophobicContact CD1-CG 3.76Å; L87-L109 HydrophobicContact CB-CB 4.41Å; L87-L109 HydrophobicContact CB-CD1 4.17Å; L87-L109 HydrophobicContact CD1-CB 4.23Å; L87-L109 HydrophobicContact CD1-CD1 4.46Å; L87-I110 HydrophobicContact CD1-CG1 4.12Å; L87-I110 HydrophobicContact CD2-CG1 3.95Å; L87-I113 HydrophobicContact CB-CD1 4.35Å; L87-I113 HydrophobicContact CD2-CD1 3.85Å |
| 88 | R | 98 | Very high | 97.2 | Very high | 134 Ų | 134 | 83.1 Ų | 83.1 | 51% | 0.506 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.8 | -36.2 | 175.8 | -81.2 | -172.7 | -69.5 | -95.9 | 2.9 | 112.5 | K84 Q85 E86 S92 | K84-R88 WeakPolarHBondContact O-CG 3.35Å; K84-R88 PolarHBondContact O-N 3.41Å; Q85-R88 PolarHBondContact O-N 2.85Å; Q85-R88 VanDerWaalsContact OE1-CZ 3.26Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 2.97Å; R88-S92 WeakPolarHBondContact O-CB 3.43Å; R88-S92 PolarHBondContact O-N 3.11Å |
| 89 | Q | 96.9 | Very high | 97.1 | Very high | 110 Ų | 110 | 81 Ų | 81 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.5 | -61.5 | -56.3 | -35.7 | 0 | 0 | 111.1 | Q85 E86 L87 S92 | Q85-Q89 PolarHBondContact O-N 3.19Å; E86-Q89 WeakPolarHBondContact O-CB 3.44Å; E86-Q89 PolarHBondContact O-N 3.38Å; E86-Q89 VanDerWaalsContact O-N 3.11Å; L87-Q89 PolarHBondContact O-N 3.38Å; Q89-S92 PolarHBondContact O-N 3.09Å; Q89-S92 PolarHBondContact O-OG 3Å |
| 90 | I | 96.4 | Very high | 97 | Very high | 24 Ų | 24 | 86.3 Ų | 86.3 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 179.4 | -57.2 | -178.2 | 0 | 0 | 0 | 111.4 | E86 L87 S92 V93 K98 H102 Q105 E106 L109 | E86-I90 PolarHBondContact O-N 3.39Å; L87-I90 PolarHBondContact O-N 2.96Å; L87-I90 VanDerWaalsContact O-N 3.14Å; I90-S92 PolarHBondContact O-N 2.96Å; I90-V93 WeakPolarHBondContact O-CB 3.37Å; I90-V93 PolarHBondContact O-N 3.4Å; I90-V93 VanDerWaalsContact O-N 3.14Å; I90-K98 WeakPolarHBondContact O-CE 3.38Å; I90-H102 HydrophobicContact CG2-CB 4.09Å; I90-Q105 HydrophobicContact CD1-CB 3.62Å; I90-E106 HydrophobicContact CG2-CB 4.1Å; I90-L109 HydrophobicContact CD1-CD1 3.74Å |
| 91 | V | 96 | Very high | 96.8 | Very high | 78 Ų | 78 | 91.9 Ų | 91.9 | 47% | 0.473 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -26.7 | 179.6 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | L87 V93 | L87-V91 HydrophobicContact CD1-CG2 4Å; L87-V91 HydrophobicContact CG-CG2 4.11Å; L87-V91 WeakPolarHBondContact O-CB 3.48Å; L87-V91 VanDerWaalsContact O-CG2 3.31Å; L87-V91 WeakPolarHBondContact O-CG2 3.42Å; L87-V91 PolarHBondContact O-N 2.88Å; V91-V93 PolarHBondContact O-N 3.48Å |
| 92 | S | 96.4 | Very high | 96.7 | Very high | 85 Ų | 85 | 88 Ų | 88 | 59% | 0.594 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -19 | 177 | 78.5 | 0 | 0 | 0 | 0 | 113.9 | R88 Q89 I90 | R88-S92 WeakPolarHBondContact O-CB 3.43Å; R88-S92 PolarHBondContact O-N 3.11Å; Q89-S92 PolarHBondContact O-N 3.09Å; Q89-S92 PolarHBondContact O-OG 3Å; I90-S92 PolarHBondContact O-N 2.96Å |
| 93 | V | 95.5 | Very high | 96.6 | Very high | 41 Ų | 41 | 89.1 Ų | 89.1 | 25% | 0.248 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -73.9 | 127.2 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | I90 V91 E97 K98 | I90-V93 WeakPolarHBondContact O-CB 3.37Å; I90-V93 PolarHBondContact O-N 3.4Å; I90-V93 VanDerWaalsContact O-N 3.14Å; V91-V93 PolarHBondContact O-N 3.48Å; V93-E97 HydrophobicContact CG1-CB 4.02Å; V93-K98 HydrophobicContact CB-CG 4.26Å; V93-K98 HydrophobicContact CG1-CG 4.03Å; V93-K98 VanDerWaalsContact O-CE 3.25Å; V93-K98 WeakPolarHBondContact O-CE 3.45Å |
| 94 | P | 96.4 | Very high | 96.5 | Very high | 68 Ų | 68 | 94 Ų | 94 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | trans | -56.2 | 141.3 | 176.9 | -24.9 | 34 | 0 | 0 | 0 | 112.5 | K96 E97 K98 | P94-K96 PolarHBondContact O-N 2.96Å; P94-E97 WeakPolarHBondContact O-CA 3.33Å; P94-E97 PolarHBondContact O-N 3.12Å; P94-K98 PolarHBondContact O-N 2.97Å | ||
| 95 | E | 94.2 | Very high | 96.5 | Very high | 106 Ų | 106 | 93.1 Ų | 93.1 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -57.3 | -31.5 | -174.9 | -170.1 | 58.6 | -151 | 0 | 0 | 113.6 | E97 K98 K103 | E95-E97 PolarHBondContact O-N 3.37Å; E95-K98 PolarHBondContact O-N 3.36Å; E95-K98 WeakPolarHBondContact OE2-CD 3.35Å; E95-K98 IonicContact OE2-NZ 3.66Å; E95-K98 PolarHBondContact OE2-NZ 3.34Å; E95-K103 WeakPolarHBondContact OE1-CE 3.39Å; E95-K103 IonicContact OE1-NZ 2.7Å; E95-K103 PolarHBondContact OE1-NZ 3.45Å |
| 96 | K | 94.8 | Very high | 96.5 | Very high | 209 Ų | 209 | 90.8 Ų | 90.8 | 91% | 0.909 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -67.1 | -24 | 177.2 | -60.6 | -179.8 | -177 | 178 | 0 | 113.2 | P94 | P94-K96 PolarHBondContact O-N 2.96Š|
| 97 | E | 95.5 | Very high | 96.5 | Very high | 134 Ų | 134 | 92.2 Ų | 92.2 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -101.9 | -5.7 | -177.7 | -64.6 | 171.2 | -153.9 | 0 | 0 | 111.8 | V93 P94 E95 N99 | V93-E97 HydrophobicContact CG1-CB 4.02Å; P94-E97 WeakPolarHBondContact O-CA 3.33Å; P94-E97 PolarHBondContact O-N 3.12Å; E95-E97 PolarHBondContact O-N 3.37Å; E97-N99 PolarHBondContact O-N 3.42Å |
| 98 | K | 95.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 95.4 Ų | 95.4 | 12% | 0.122 | 46% | 0.456 | C | S | . | . | trans | -73.9 | 122.8 | 176.5 | -71.2 | -168 | -171.5 | 171.9 | 0 | 111.3 | I90 V93 P94 E95 H102 E106 | I90-K98 WeakPolarHBondContact O-CE 3.38Å; V93-K98 HydrophobicContact CB-CG 4.26Å; V93-K98 HydrophobicContact CG1-CG 4.03Å; V93-K98 VanDerWaalsContact O-CE 3.25Å; V93-K98 WeakPolarHBondContact O-CE 3.45Å; P94-K98 PolarHBondContact O-N 2.97Å; E95-K98 PolarHBondContact O-N 3.36Å; E95-K98 WeakPolarHBondContact OE2-CD 3.35Å; E95-K98 IonicContact OE2-NZ 3.66Å; E95-K98 PolarHBondContact OE2-NZ 3.34Å; K98-H102 HydrophobicContact CB-CB 4.26Å; K98-H102 HydrophobicContact CG-CB 4.33Å; K98-E106 IonicContact NZ-OE1 3.83Å; K98-E106 IonicContact NZ-OE2 2.9Å; K98-E106 PolarHBondContact NZ-OE2 2.94Å | ||
| 99 | N | 95.8 | Very high | 96.5 | Very high | 78 Ų | 78 | 89.6 Ų | 89.6 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | trans | -85.6 | 173.9 | 169.4 | 64.7 | 37.5 | 0 | 0 | 0 | 111.1 | E97 K101 H102 K103 | E97-N99 PolarHBondContact O-N 3.42Å; N99-K101 PolarHBondContact O-N 2.91Å; N99-K101 WeakPolarHBondContact OD1-CA 3.42Å; N99-K101 VanDerWaalsContact OD1-CB 3.3Å; N99-K101 WeakPolarHBondContact OD1-CB 3.5Å; N99-K101 PolarHBondContact OD1-N 3.2Å; N99-H102 PolarHBondContact N-ND1 3.5Å; N99-H102 PolarHBondContact ND2-CE1 2.66Å; N99-H102 PolarHBondContact O-N 2.97Å; N99-H102 PolarHBondContact OD1-CD2 2.97Å; N99-H102 PolarHBondContact OD1-N 2.94Å; N99-K103 PolarHBondContact O-N 3.25Å | ||
| 100 | K | 96.4 | Very high | 96.6 | Very high | 178 Ų | 178 | 88.4 Ų | 88.4 | 77% | 0.774 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.7 | -33.7 | 178 | -68.5 | -176 | 179.2 | -179.3 | 0 | 113.1 | K103 Q104 | K100-K103 PolarHBondContact O-N 3.44Å; K100-Q104 WeakPolarHBondContact O-CG 3.43Å; K100-Q104 PolarHBondContact O-N 3.15Å |
| 101 | K | 95.7 | Very high | 96.7 | Very high | 129 Ų | 129 | 92.4 Ų | 92.4 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.9 | -42.1 | 179.5 | -172.9 | -176.1 | 176.9 | -177.3 | 0 | 111.2 | N99 K103 Q104 Q105 | N99-K101 PolarHBondContact O-N 2.91Å; N99-K101 WeakPolarHBondContact OD1-CA 3.42Å; N99-K101 VanDerWaalsContact OD1-CB 3.3Å; N99-K101 WeakPolarHBondContact OD1-CB 3.5Å; N99-K101 PolarHBondContact OD1-N 3.2Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 2.58Å; K101-Q104 PolarHBondContact O-N 3.43Å; K101-Q105 HydrophobicContact CG-CG 4.37Å; K101-Q105 WeakPolarHBondContact O-CB 3.44Å; K101-Q105 VanDerWaalsContact O-CG 3.27Å; K101-Q105 WeakPolarHBondContact O-CG 3.34Å; K101-Q105 PolarHBondContact O-N 2.95Å |
| 102 | H | 96.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 93 Ų | 93 | 23% | 0.227 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 175.2 | -63.1 | 162.2 | 0 | 0 | 0 | 111 | I90 K98 N99 Q105 E106 | I90-H102 HydrophobicContact CG2-CB 4.09Å; K98-H102 HydrophobicContact CB-CB 4.26Å; K98-H102 HydrophobicContact CG-CB 4.33Å; N99-H102 PolarHBondContact N-ND1 3.5Å; N99-H102 PolarHBondContact ND2-CE1 2.66Å; N99-H102 PolarHBondContact O-N 2.97Å; N99-H102 PolarHBondContact OD1-CD2 2.97Å; N99-H102 PolarHBondContact OD1-N 2.94Å; H102-Q105 PolarHBondContact O-N 2.71Å; H102-E106 VanDerWaalsContact O-CB 3.3Å; H102-E106 WeakPolarHBondContact O-CB 3.18Å; H102-E106 PolarHBondContact O-N 2.67Å |
| 103 | K | 96 | Very high | 96.9 | Very high | 88 Ų | 88 | 89.8 Ų | 89.8 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 178.9 | -61.8 | -173.2 | 178.6 | -156.2 | 0 | 112.4 | E95 N99 K100 K101 E106 E107 | E95-K103 WeakPolarHBondContact OE1-CE 3.39Å; E95-K103 IonicContact OE1-NZ 2.7Å; E95-K103 PolarHBondContact OE1-NZ 3.45Å; N99-K103 PolarHBondContact O-N 3.25Å; K100-K103 PolarHBondContact O-N 3.44Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 2.58Å; K103-E106 WeakPolarHBondContact O-CB 3.32Å; K103-E106 PolarHBondContact O-N 3.18Å; K103-E107 WeakPolarHBondContact O-CG 3.36Å; K103-E107 PolarHBondContact O-N 3.47Å |
| 104 | Q | 97.7 | Very high | 97.1 | Very high | 129 Ų | 129 | 92.7 Ų | 92.7 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 176.2 | -73.8 | 174.3 | -16.5 | 0 | 0 | 112.2 | K100 K101 E107 E108 | K100-Q104 WeakPolarHBondContact O-CG 3.43Å; K100-Q104 PolarHBondContact O-N 3.15Å; K101-Q104 PolarHBondContact O-N 3.43Å; Q104-E107 PolarHBondContact O-N 3.43Å; Q104-E108 WeakPolarHBondContact O-CB 3.41Å; Q104-E108 PolarHBondContact O-N 3.17Å |
| 105 | Q | 97.8 | Very high | 97.2 | Very high | 72 Ų | 72 | 96.3 Ų | 96.3 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 177.1 | -72.8 | 178.7 | -49.2 | 0 | 0 | 111.9 | I90 K101 H102 E108 L109 | I90-Q105 HydrophobicContact CD1-CB 3.62Å; K101-Q105 HydrophobicContact CG-CG 4.37Å; K101-Q105 WeakPolarHBondContact O-CB 3.44Å; K101-Q105 VanDerWaalsContact O-CG 3.27Å; K101-Q105 WeakPolarHBondContact O-CG 3.34Å; K101-Q105 PolarHBondContact O-N 2.95Å; H102-Q105 PolarHBondContact O-N 2.71Å; Q105-E108 PolarHBondContact O-N 2.79Å; Q105-L109 WeakPolarHBondContact O-CB 3.49Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 3.27Å; Q105-L109 PolarHBondContact O-N 3.4Å |
| 106 | E | 97.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 93 Ų | 93 | 19% | 0.192 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 174.5 | -175.2 | 169.7 | -176.7 | 0 | 0 | 111.2 | L87 I90 K98 H102 K103 E108 L109 I110 | L87-E106 HydrophobicContact CD1-CB 4.43Å; L87-E106 HydrophobicContact CD1-CG 3.76Å; I90-E106 HydrophobicContact CG2-CB 4.1Å; K98-E106 IonicContact NZ-OE1 3.83Å; K98-E106 IonicContact NZ-OE2 2.9Å; K98-E106 PolarHBondContact NZ-OE2 2.94Å; H102-E106 VanDerWaalsContact O-CB 3.3Å; H102-E106 WeakPolarHBondContact O-CB 3.18Å; H102-E106 PolarHBondContact O-N 2.67Å; K103-E106 WeakPolarHBondContact O-CB 3.32Å; K103-E106 PolarHBondContact O-N 3.18Å; E106-E108 PolarHBondContact O-N 3.04Å; E106-L109 PolarHBondContact O-N 3.41Å; E106-I110 HydrophobicContact CG-CD1 4.07Å; E106-I110 WeakPolarHBondContact O-CD1 3.18Å; E106-I110 VanDerWaalsContact O-CG1 3.25Å; E106-I110 WeakPolarHBondContact O-CG1 3.42Å; E106-I110 PolarHBondContact O-N 3.42Å |
| 107 | E | 98.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 85.5 Ų | 85.5 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 176.1 | -72.2 | 173.3 | -170.7 | 0 | 0 | 112.3 | K103 Q104 I110 L111 | K103-E107 WeakPolarHBondContact O-CG 3.36Å; K103-E107 PolarHBondContact O-N 3.47Å; Q104-E107 PolarHBondContact O-N 3.43Å; E107-I110 PolarHBondContact O-N 3.45Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 2.9Å |
| 108 | E | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 83.2 Ų | 83.2 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.5 | -171.4 | -173.8 | 168 | 0 | 0 | 112 | Q104 Q105 E106 L111 K112 | Q104-E108 WeakPolarHBondContact O-CB 3.41Å; Q104-E108 PolarHBondContact O-N 3.17Å; Q105-E108 PolarHBondContact O-N 2.79Å; E106-E108 PolarHBondContact O-N 3.04Å; E108-L111 PolarHBondContact O-N 2.93Å; E108-K112 HydrophobicContact CG-CD 4.43Å; E108-K112 WeakPolarHBondContact O-CG 3.21Å; E108-K112 PolarHBondContact O-N 3.49Å; E108-K112 WeakPolarHBondContact OE1-CE 3.44Å; E108-K112 IonicContact OE1-NZ 3.36Å; E108-K112 PolarHBondContact OE1-NZ 3.04Å |
| 109 | L | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 88.2 Ų | 88.2 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.4 | -74.1 | 173.3 | 0 | 0 | 0 | 111.3 | L83 E86 L87 I90 Q105 E106 L111 K112 I113 | L83-L109 HydrophobicContact CD2-CD2 3.68Å; E86-L109 HydrophobicContact CB-CD1 4Å; E86-L109 HydrophobicContact CB-CD2 4.29Å; L87-L109 HydrophobicContact CB-CB 4.41Å; L87-L109 HydrophobicContact CB-CD1 4.17Å; L87-L109 HydrophobicContact CD1-CB 4.23Å; L87-L109 HydrophobicContact CD1-CD1 4.46Å; I90-L109 HydrophobicContact CD1-CD1 3.74Å; Q105-L109 WeakPolarHBondContact O-CB 3.49Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 3.27Å; Q105-L109 PolarHBondContact O-N 3.4Å; E106-L109 PolarHBondContact O-N 3.41Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 PolarHBondContact O-N 3.37Å; L109-K112 PolarHBondContact O-N 2.98Å; L109-I113 WeakPolarHBondContact O-CB 3.33Å; L109-I113 WeakPolarHBondContact O-CD1 3.46Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 3.29Å |
| 110 | I | 98.6 | Very high | 98 | Very high | 85 Ų | 85 | 89 Ų | 89 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.3 | -70.4 | 165.8 | 0 | 0 | 0 | 110.4 | L87 E106 E107 K112 I113 H114 | L87-I110 HydrophobicContact CD1-CG1 4.12Å; L87-I110 HydrophobicContact CD2-CG1 3.95Å; E106-I110 HydrophobicContact CG-CD1 4.07Å; E106-I110 WeakPolarHBondContact O-CD1 3.18Å; E106-I110 VanDerWaalsContact O-CG1 3.25Å; E106-I110 WeakPolarHBondContact O-CG1 3.42Å; E106-I110 PolarHBondContact O-N 3.42Å; E107-I110 PolarHBondContact O-N 3.45Å; I110-K112 PolarHBondContact O-N 3.38Å; I110-I113 PolarHBondContact O-N 3.36Å; I110-H114 WeakPolarHBondContact O-CB 3.17Å; I110-H114 PolarHBondContact O-N 2.9Å |
| 111 | L | 98.7 | Very high | 98.1 | Very high | 108 Ų | 108 | 84.5 Ų | 84.5 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 178 | -72.8 | 170.9 | 0 | 0 | 0 | 112.5 | E107 E108 L109 H114 K115 | E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 2.9Å; E108-L111 PolarHBondContact O-N 2.93Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 PolarHBondContact O-N 3.37Å; L111-H114 PolarHBondContact O-N 3.43Å; L111-K115 WeakPolarHBondContact O-CG 3.4Å; L111-K115 PolarHBondContact O-N 2.97Å; L111-K115 VanDerWaalsContact O-N 3.09Å |
| 112 | K | 98.8 | Very high | 98.2 | Very high | 89 Ų | 89 | 84.5 Ų | 84.5 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 176.2 | -73.3 | 174.9 | -176.6 | 169.5 | 0 | 111.8 | L83 E108 L109 I110 H114 K115 L116 | L83-K112 HydrophobicContact CD1-CB 3.92Å; L83-K112 HydrophobicContact CD2-CD 4.45Å; E108-K112 HydrophobicContact CG-CD 4.43Å; E108-K112 WeakPolarHBondContact O-CG 3.21Å; E108-K112 PolarHBondContact O-N 3.49Å; E108-K112 WeakPolarHBondContact OE1-CE 3.44Å; E108-K112 IonicContact OE1-NZ 3.36Å; E108-K112 PolarHBondContact OE1-NZ 3.04Å; L109-K112 PolarHBondContact O-N 2.98Å; I110-K112 PolarHBondContact O-N 3.38Å; K112-H114 VanDerWaalsContact C-N 3.32Å; K112-H114 PolarHBondContact O-N 2.95Å; K112-K115 PolarHBondContact O-N 3.2Å; K112-L116 PolarHBondContact O-N 2.93Å; K112-L116 VanDerWaalsContact O-N 3.08Å |
| 113 | I | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 83 Ų | 83 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 176.9 | -69.4 | 163 | 0 | 0 | 0 | 110 | L83 K84 L87 L109 I110 K115 L116 V117 | L83-I113 HydrophobicContact CB-CD1 4Å; L83-I113 HydrophobicContact CB-CG1 3.55Å; L83-I113 HydrophobicContact CD1-CG1 4.14Å; K84-I113 HydrophobicContact CG-CD1 3.92Å; K84-I113 HydrophobicContact CG-CG1 4.49Å; L87-I113 HydrophobicContact CB-CD1 4.35Å; L87-I113 HydrophobicContact CD2-CD1 3.85Å; L109-I113 WeakPolarHBondContact O-CB 3.33Å; L109-I113 WeakPolarHBondContact O-CD1 3.46Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 3.29Å; I110-I113 PolarHBondContact O-N 3.36Å; I113-K115 PolarHBondContact O-N 2.98Å; I113-L116 PolarHBondContact O-N 3.26Å; I113-V117 HydrophobicContact CG2-CG2 4.31Å; I113-V117 WeakPolarHBondContact O-CG2 3.48Å; I113-V117 PolarHBondContact O-N 3.21Å |
| 114 | H | 98.7 | Very high | 98.3 | Very high | 103 Ų | 103 | 81.9 Ų | 81.9 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 179 | -178 | -96.9 | 0 | 0 | 0 | 112.1 | I110 L111 K112 L116 V117 Q118 | I110-H114 WeakPolarHBondContact O-CB 3.17Å; I110-H114 PolarHBondContact O-N 2.9Å; L111-H114 PolarHBondContact O-N 3.43Å; K112-H114 VanDerWaalsContact C-N 3.32Å; K112-H114 PolarHBondContact O-N 2.95Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-L116 PolarHBondContact O-N 3.13Å; H114-V117 PolarHBondContact O-N 3.16Å; H114-Q118 PolarHBondContact CE1-NE2 2.69Å; H114-Q118 WeakPolarHBondContact O-CG 3.32Å; H114-Q118 PolarHBondContact O-N 3.42Å |
| 115 | K | 98.8 | Very high | 98.3 | Very high | 143 Ų | 143 | 80.4 Ų | 80.4 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.7 | -40.6 | 176.7 | -72.8 | 175.8 | -179 | -178.2 | 0 | 112.8 | L111 K112 I113 Q118 K119 | L111-K115 WeakPolarHBondContact O-CG 3.4Å; L111-K115 PolarHBondContact O-N 2.97Å; L111-K115 VanDerWaalsContact O-N 3.09Å; K112-K115 PolarHBondContact O-N 3.2Å; I113-K115 PolarHBondContact O-N 2.98Å; K115-Q118 PolarHBondContact O-N 3.03Å; K115-K119 PolarHBondContact O-N 3.06Å |
| 116 | L | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 81.6 Ų | 81.6 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.3 | -70.4 | 177.4 | 0 | 0 | 0 | 112.3 | L76 D79 I80 L83 K112 I113 H114 K119 R120 | L76-L116 HydrophobicContact CD2-CD2 4Å; D79-L116 HydrophobicContact CB-CD1 3.79Å; I80-L116 HydrophobicContact CD1-CB 3.96Å; I80-L116 HydrophobicContact CG1-CB 3.54Å; I80-L116 HydrophobicContact CG1-CD1 3.95Å; I80-L116 HydrophobicContact CG1-CG 4.43Å; L83-L116 HydrophobicContact CD1-CD1 3.55Å; K112-L116 PolarHBondContact O-N 2.93Å; K112-L116 VanDerWaalsContact O-N 3.08Å; I113-L116 PolarHBondContact O-N 3.26Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-L116 PolarHBondContact O-N 3.13Å; L116-K119 PolarHBondContact O-N 3.42Å; L116-R120 WeakPolarHBondContact O-CB 3.31Å; L116-R120 PolarHBondContact O-N 2.97Å |
| 117 | V | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 173.3 | 171 | 0 | 0 | 0 | 0 | 110.2 | I80 I113 H114 K119 R120 D121 | I80-V117 HydrophobicContact CD1-CG2 4.03Å; I113-V117 HydrophobicContact CG2-CG2 4.31Å; I113-V117 WeakPolarHBondContact O-CG2 3.48Å; I113-V117 PolarHBondContact O-N 3.21Å; H114-V117 PolarHBondContact O-N 3.16Å; V117-K119 VanDerWaalsContact C-N 3.32Å; V117-K119 PolarHBondContact O-N 3.45Å; V117-R120 WeakPolarHBondContact O-CA 3.39Å; V117-R120 WeakPolarHBondContact O-CB 3.47Å; V117-R120 PolarHBondContact O-N 3.01Å; V117-D121 VanDerWaalsContact O-CG 3.32Å; V117-D121 PolarHBondContact O-N 2.9Å |
| 118 | Q | 98.6 | Very high | 98 | Very high | 87 Ų | 87 | 77.5 Ų | 77.5 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 174.5 | -72.5 | -178.1 | -40.4 | 0 | 0 | 112.3 | H114 K115 R120 D121 F122 | H114-Q118 PolarHBondContact CE1-NE2 2.69Å; H114-Q118 WeakPolarHBondContact O-CG 3.32Å; H114-Q118 PolarHBondContact O-N 3.42Å; K115-Q118 PolarHBondContact O-N 3.03Å; Q118-R120 VanDerWaalsContact C-N 3.27Å; Q118-R120 PolarHBondContact O-N 3.1Å; Q118-D121 PolarHBondContact O-N 3.47Å; Q118-F122 HydrophobicContact CB-CE2 4.47Å; Q118-F122 WeakPolarHBondContact O-CD2 3.41Å; Q118-F122 PolarHBondContact O-N 3.2Å |
| 119 | K | 98.7 | Very high | 98 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.6 | -38.1 | 175.9 | -177.4 | 172.8 | 172.6 | -171.8 | 0 | 112 | L76 K115 L116 V117 L123 | L76-K119 HydrophobicContact CD1-CG 4.25Å; L76-K119 HydrophobicContact CD2-CB 4.44Å; L76-K119 HydrophobicContact CD2-CD 3.84Å; L76-K119 HydrophobicContact CD2-CG 4.12Å; K115-K119 PolarHBondContact O-N 3.06Å; L116-K119 PolarHBondContact O-N 3.42Å; V117-K119 VanDerWaalsContact C-N 3.32Å; V117-K119 PolarHBondContact O-N 3.45Å; K119-L123 PolarHBondContact O-N 2.98Å; K119-L123 VanDerWaalsContact O-N 3.07Å |
| 120 | R | 98.4 | Very high | 97.8 | Very high | 94 Ų | 94 | 79 Ų | 79 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 175.7 | -174.9 | -179.1 | 178.5 | -124.2 | -5.3 | 111.8 | D73 L76 L116 V117 Q118 L123 V124 | D73-R120 IonicContact OD1-CZ 3.72Å; D73-R120 IonicContact OD1-NE 3.31Å; D73-R120 PolarHBondContact OD1-NE 3.07Å; D73-R120 IonicContact OD1-NH2 3.61Å; L76-R120 HydrophobicContact CD1-CB 3.97Å; L76-R120 HydrophobicContact CD1-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CB 3.31Å; L116-R120 PolarHBondContact O-N 2.97Å; V117-R120 WeakPolarHBondContact O-CA 3.39Å; V117-R120 WeakPolarHBondContact O-CB 3.47Å; V117-R120 PolarHBondContact O-N 3.01Å; Q118-R120 VanDerWaalsContact C-N 3.27Å; Q118-R120 PolarHBondContact O-N 3.1Å; R120-L123 WeakPolarHBondContact O-CB 3.34Å; R120-L123 PolarHBondContact O-N 3.34Å; R120-V124 WeakPolarHBondContact O-CG2 3.34Å; R120-V124 PolarHBondContact O-N 3.23Å; R120-V124 VanDerWaalsContact O-N 3.09Å |
| 121 | D | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 78.7 Ų | 78.7 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.9 | -63.8 | -20.5 | 0 | 0 | 0 | 110.4 | V117 Q118 L123 V124 D125 | V117-D121 VanDerWaalsContact O-CG 3.32Å; V117-D121 PolarHBondContact O-N 2.9Å; Q118-D121 PolarHBondContact O-N 3.47Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 3.38Å; D121-V124 WeakPolarHBondContact O-CB 3.29Å; D121-V124 PolarHBondContact O-N 3.47Å; D121-V124 VanDerWaalsContact O-N 3.15Å; D121-D125 PolarHBondContact O-N 2.85Å; D121-D125 VanDerWaalsContact O-N 3.08Å |
| 122 | F | 98.4 | Very high | 97.5 | Very high | 129 Ų | 129 | 77.9 Ų | 77.9 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -39.1 | 173.9 | -68.9 | -59 | 0 | 0 | 0 | 113.3 | Q118 V124 D125 D126 | Q118-F122 HydrophobicContact CB-CE2 4.47Å; Q118-F122 WeakPolarHBondContact O-CD2 3.41Å; Q118-F122 PolarHBondContact O-N 3.2Å; F122-V124 VanDerWaalsContact C-N 3.27Å; F122-V124 PolarHBondContact O-N 2.96Å; F122-D125 PolarHBondContact O-N 3.46Å; F122-D126 WeakPolarHBondContact O-CB 3.37Å; F122-D126 PolarHBondContact O-N 3.12Å |
| 123 | L | 98 | Very high | 97.4 | Very high | 17 Ų | 17 | 79 Ų | 79 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 176.6 | 179.2 | 149.4 | 0 | 0 | 0 | 112 | Y17 F69 D72 D73 L76 K119 R120 D121 A127 | Y17-L123 HydrophobicContact CE1-CD2 4.18Å; F69-L123 HydrophobicContact CD1-CD2 4.38Å; F69-L123 HydrophobicContact CD1-CG 4.1Å; D72-L123 HydrophobicContact CB-CD1 3.49Å; D72-L123 VanDerWaalsContact CB-CD1 3.49Å; D73-L123 HydrophobicContact CB-CD2 4.01Å; L76-L123 HydrophobicContact CD1-CD1 4.07Å; K119-L123 PolarHBondContact O-N 2.98Å; K119-L123 VanDerWaalsContact O-N 3.07Å; R120-L123 WeakPolarHBondContact O-CB 3.34Å; R120-L123 PolarHBondContact O-N 3.34Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 3.38Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 3.41Å |
| 124 | V | 96.6 | Very high | 97.1 | Very high | 65 Ų | 65 | 78.3 Ų | 78.3 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | R120 D121 F122 A127 E128 | R120-V124 WeakPolarHBondContact O-CG2 3.34Å; R120-V124 PolarHBondContact O-N 3.23Å; R120-V124 VanDerWaalsContact O-N 3.09Å; D121-V124 WeakPolarHBondContact O-CB 3.29Å; D121-V124 PolarHBondContact O-N 3.47Å; D121-V124 VanDerWaalsContact O-N 3.15Å; F122-V124 VanDerWaalsContact C-N 3.27Å; F122-V124 PolarHBondContact O-N 2.96Å; V124-A127 PolarHBondContact O-N 3.03Å; V124-E128 PolarHBondContact O-N 3.26Å |
| 125 | D | 97.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 79.6 Ų | 79.6 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 177.1 | -68.7 | -23.5 | 0 | 0 | 0 | 111.4 | D121 F122 A127 E128 V129 | D121-D125 PolarHBondContact O-N 2.85Å; D121-D125 VanDerWaalsContact O-N 3.08Å; F122-D125 PolarHBondContact O-N 3.46Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.46Å; D125-E128 PolarHBondContact O-N 3.12Å; D125-V129 WeakPolarHBondContact O-CG2 3.36Å; D125-V129 PolarHBondContact O-N 2.93Å |
| 126 | D | 97.3 | Very high | 96.7 | Very high | 98 Ų | 98 | 76.7 Ų | 76.7 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 178.4 | -74.4 | -17.9 | 0 | 0 | 0 | 111.8 | F69 F122 V129 E130 | F69-D126 HydrophobicContact CE1-CB 4.08Å; F69-D126 HydrophobicContact CZ-CB 4.49Å; F122-D126 WeakPolarHBondContact O-CB 3.37Å; F122-D126 PolarHBondContact O-N 3.12Å; D126-V129 PolarHBondContact O-N 2.93Å; D126-E130 PolarHBondContact O-N 3.49Å |
| 127 | A | 95.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 78 Ų | 78 | 2% | 0.017 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y17 F69 L123 V124 D125 E130 R131 | Y17-A127 HydrophobicContact CD1-CB 3.39Å; Y17-A127 HydrophobicContact CE1-CB 4.1Å; Y17-A127 HydrophobicContact CG-CB 4.19Å; F69-A127 HydrophobicContact CD1-CB 3.85Å; F69-A127 HydrophobicContact CD2-CB 4.23Å; F69-A127 HydrophobicContact CE1-CB 4Å; F69-A127 HydrophobicContact CE2-CB 4.37Å; F69-A127 HydrophobicContact CG-CB 3.98Å; F69-A127 HydrophobicContact CZ-CB 4.25Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 3.41Å; V124-A127 PolarHBondContact O-N 3.03Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.46Å; A127-E130 PolarHBondContact O-N 3.36Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 PolarHBondContact O-N 3.46Å |
| 128 | E | 95.2 | Very high | 96.1 | Very high | 78 Ų | 78 | 79.1 Ų | 79.1 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 174.3 | 179 | 60 | -172.1 | 0 | 0 | 111.5 | V124 D125 E130 R131 L132 | V124-E128 PolarHBondContact O-N 3.26Å; D125-E128 PolarHBondContact O-N 3.12Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.06Å; E128-R131 PolarHBondContact O-N 3.41Å; E128-R131 IonicContact OE1-CZ 3.21Å; E128-R131 IonicContact OE1-NE 3.15Å; E128-R131 IonicContact OE1-NH2 2.64Å; E128-R131 PolarHBondContact OE1-NH2 3.41Å; E128-R131 IonicContact OE2-CZ 3.89Å; E128-R131 IonicContact OE2-NE 3.37Å; E128-R131 PolarHBondContact OE2-NE 2.83Å; E128-R131 IonicContact OE2-NH2 2.79Å; E128-R131 PolarHBondContact OE2-NH2 2.98Å; E128-L132 HydrophobicContact CG-CD1 4.27Å; E128-L132 VanDerWaalsContact O-CG 3.31Å; E128-L132 WeakPolarHBondContact O-CG 3.45Å; E128-L132 PolarHBondContact O-N 3.47Å |
| 129 | V | 96.5 | Very high | 95.9 | Very high | 96 Ų | 96 | 80.3 Ų | 80.3 | 58% | 0.582 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | D125 D126 L132 R133 | D125-V129 WeakPolarHBondContact O-CG2 3.36Å; D125-V129 PolarHBondContact O-N 2.93Å; D126-V129 PolarHBondContact O-N 2.93Å; V129-L132 PolarHBondContact O-N 3.43Å; V129-R133 PolarHBondContact O-N 3.24Å |
| 130 | E | 95.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 80.1 Ų | 80.1 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 177.1 | -171.7 | 64.1 | -163.4 | 0 | 0 | 111.5 | F69 D126 A127 E128 L132 R133 E134 | F69-E130 HydrophobicContact CE2-CB 4.28Å; F69-E130 HydrophobicContact CE2-CG 4.31Å; D126-E130 PolarHBondContact O-N 3.49Å; A127-E130 PolarHBondContact O-N 3.36Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.06Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.97Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.22Å; E130-R133 VanDerWaalsContact O-N 3.12Å; E130-R133 IonicContact OE1-CZ 2.67Å; E130-R133 IonicContact OE1-NH1 2.8Å; E130-R133 PolarHBondContact OE1-NH1 3.42Å; E130-R133 IonicContact OE1-NH2 2.66Å; E130-R133 PolarHBondContact OE1-NH2 2.9Å; E130-R133 IonicContact OE2-CZ 3.01Å; E130-R133 IonicContact OE2-NH1 3.71Å; E130-R133 PolarHBondContact OE2-NH1 3.02Å; E130-E134 WeakPolarHBondContact O-CG 3.42Å; E130-E134 PolarHBondContact O-N 3.13Å |
| 131 | R | 94.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 80.1 Ų | 80.1 | 30% | 0.302 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 178.3 | -169.9 | -172.3 | 75.7 | 92.9 | 3.3 | 112.5 | A19 A127 E128 K135 | A19-R131 HydrophobicContact CB-CG 4.27Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 PolarHBondContact O-N 3.46Å; E128-R131 PolarHBondContact O-N 3.41Å; E128-R131 IonicContact OE1-CZ 3.21Å; E128-R131 IonicContact OE1-NE 3.15Å; E128-R131 IonicContact OE1-NH2 2.64Å; E128-R131 PolarHBondContact OE1-NH2 3.41Å; E128-R131 IonicContact OE2-CZ 3.89Å; E128-R131 IonicContact OE2-NE 3.37Å; E128-R131 PolarHBondContact OE2-NE 2.83Å; E128-R131 IonicContact OE2-NH2 2.79Å; E128-R131 PolarHBondContact OE2-NH2 2.98Å; R131-K135 PolarHBondContact O-N 3.34Å |
| 132 | L | 95.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 78.8 Ų | 78.8 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 176.6 | -71.2 | 173.6 | 0 | 0 | 0 | 111.7 | E128 V129 E130 K135 E136 | E128-L132 HydrophobicContact CG-CD1 4.27Å; E128-L132 VanDerWaalsContact O-CG 3.31Å; E128-L132 WeakPolarHBondContact O-CG 3.45Å; E128-L132 PolarHBondContact O-N 3.47Å; V129-L132 PolarHBondContact O-N 3.43Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.97Å; L132-K135 PolarHBondContact O-N 3.06Å; L132-E136 PolarHBondContact O-N 3.24Å; L132-E136 VanDerWaalsContact O-N 3.09Å |
| 133 | R | 96.3 | Very high | 94.9 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 176 | -161.8 | -166.2 | 88.4 | -125.6 | -15 | 111.2 | V129 E130 K135 E136 E137 | V129-R133 PolarHBondContact O-N 3.24Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.22Å; E130-R133 VanDerWaalsContact O-N 3.12Å; E130-R133 IonicContact OE1-CZ 2.67Å; E130-R133 IonicContact OE1-NH1 2.8Å; E130-R133 PolarHBondContact OE1-NH1 3.42Å; E130-R133 IonicContact OE1-NH2 2.66Å; E130-R133 PolarHBondContact OE1-NH2 2.9Å; E130-R133 IonicContact OE2-CZ 3.01Å; E130-R133 IonicContact OE2-NH1 3.71Å; E130-R133 PolarHBondContact OE2-NH1 3.02Å; R133-K135 VanDerWaalsContact C-N 3.26Å; R133-K135 PolarHBondContact O-N 3.35Å; R133-E136 PolarHBondContact O-N 3.48Å; R133-E136 VanDerWaalsContact O-N 3.11Å; R133-E137 IonicContact CZ-OE1 2.66Å; R133-E137 IonicContact NE-OE1 3.61Å; R133-E137 PolarHBondContact NE-OE1 3.16Å; R133-E137 IonicContact NH2-OE1 3.61Å; R133-E137 PolarHBondContact NH2-OE1 2.91Å; R133-E137 WeakPolarHBondContact O-CG 3.27Å; R133-E137 PolarHBondContact O-N 3.32Å |
| 134 | E | 94.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 81.7 Ų | 81.7 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.2 | -42 | 178.4 | -69 | -179.7 | 160.6 | 0 | 0 | 111.7 | A19 R62 E130 E136 E137 D138 | A19-E134 HydrophobicContact CB-CB 3.71Å; A19-E134 WeakPolarHBondContact CB-OE2 3.36Å; A19-E134 PolarHBondContact N-OE2 3.21Å; R62-E134 VanDerWaalsContact CB-OE1 3.31Å; R62-E134 WeakPolarHBondContact CB-OE1 3.43Å; R62-E134 WeakPolarHBondContact CD-OE1 3.4Å; R62-E134 HydrophobicContact CG-CG 4.4Å; R62-E134 WeakPolarHBondContact CG-OE1 3.34Å; E130-E134 WeakPolarHBondContact O-CG 3.42Å; E130-E134 PolarHBondContact O-N 3.13Å; E134-E136 PolarHBondContact O-N 3.34Å; E134-E137 PolarHBondContact O-N 2.93Å; E134-D138 PolarHBondContact O-N 3.46Å |
| 135 | K | 92.9 | Very high | 94.3 | Very high | 129 Ų | 129 | 82.7 Ų | 82.7 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.5 | -37.7 | 178.6 | -172.6 | 179.5 | 179.3 | -177 | 0 | 112.9 | R131 L132 R133 K139 | R131-K135 PolarHBondContact O-N 3.34Å; L132-K135 PolarHBondContact O-N 3.06Å; R133-K135 VanDerWaalsContact C-N 3.26Å; R133-K135 PolarHBondContact O-N 3.35Å; K135-K139 WeakPolarHBondContact O-CB 3.46Å; K135-K139 PolarHBondContact O-N 2.91Å; K135-K139 VanDerWaalsContact O-N 3.16Å |
| 136 | E | 95.9 | Very high | 94 | Very high | 82 Ų | 82 | 84.5 Ų | 84.5 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.4 | -39.7 | 177.2 | -166.8 | 61 | -149.9 | 0 | 0 | 111.1 | L132 R133 E134 D138 K139 E140 | L132-E136 PolarHBondContact O-N 3.24Å; L132-E136 VanDerWaalsContact O-N 3.09Å; R133-E136 PolarHBondContact O-N 3.48Å; R133-E136 VanDerWaalsContact O-N 3.11Å; E134-E136 PolarHBondContact O-N 3.34Å; E136-D138 VanDerWaalsContact C-N 3.33Å; E136-D138 PolarHBondContact O-N 3.05Å; E136-K139 VanDerWaalsContact CD-NZ 3.29Å; E136-K139 WeakPolarHBondContact O-CB 3.24Å; E136-K139 PolarHBondContact O-N 3.18Å; E136-K139 IonicContact OE1-NZ 2.75Å; E136-K139 PolarHBondContact OE1-NZ 3.03Å; E136-K139 IonicContact OE2-NZ 3.59Å; E136-K139 PolarHBondContact OE2-NZ 3.46Å; E136-E140 WeakPolarHBondContact O-CG 3.31Å; E136-E140 PolarHBondContact O-N 2.95Å |
| 137 | E | 92.7 | Very high | 93.8 | Very high | 63 Ų | 63 | 84.8 Ų | 84.8 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.3 | -47.2 | 172.5 | -70.5 | 171.7 | -174.4 | 0 | 0 | 111.8 | R62 R133 E134 K139 E140 M141 | R62-E137 IonicContact CZ-OE2 2.69Å; R62-E137 IonicContact NE-OE2 3.33Å; R62-E137 IonicContact NH2-OE2 3.62Å; R62-E137 PolarHBondContact NH2-OE2 2.97Å; R133-E137 IonicContact CZ-OE1 2.66Å; R133-E137 IonicContact NE-OE1 3.61Å; R133-E137 PolarHBondContact NE-OE1 3.16Å; R133-E137 IonicContact NH2-OE1 3.61Å; R133-E137 PolarHBondContact NH2-OE1 2.91Å; R133-E137 WeakPolarHBondContact O-CG 3.27Å; R133-E137 PolarHBondContact O-N 3.32Å; E134-E137 PolarHBondContact O-N 2.93Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 3.19Å; E137-E140 PolarHBondContact O-N 3.48Å; E137-M141 WeakPolarHBondContact O-CB 3.38Å; E137-M141 PolarHBondContact O-N 3.23Å |
| 138 | D | 91.8 | Very high | 93.4 | Very high | 77 Ų | 77 | 91 Ų | 91 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 178.8 | -77.6 | -14.9 | 0 | 0 | 0 | 111.9 | E134 E136 M141 A142 | E134-D138 PolarHBondContact O-N 3.46Å; E136-D138 VanDerWaalsContact C-N 3.33Å; E136-D138 PolarHBondContact O-N 3.05Å; D138-M141 PolarHBondContact O-N 2.85Å; D138-A142 WeakPolarHBondContact O-CB 3.46Å; D138-A142 PolarHBondContact O-N 3.27Å |
| 139 | K | 94.5 | Very high | 93.1 | Very high | 112 Ų | 112 | 91 Ų | 91 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 177.7 | 176.7 | 177.1 | 153.2 | -123.4 | 0 | 111.5 | K135 E136 E137 M141 A142 E143 | K135-K139 WeakPolarHBondContact O-CB 3.46Å; K135-K139 PolarHBondContact O-N 2.91Å; K135-K139 VanDerWaalsContact O-N 3.16Å; E136-K139 VanDerWaalsContact CD-NZ 3.29Å; E136-K139 WeakPolarHBondContact O-CB 3.24Å; E136-K139 PolarHBondContact O-N 3.18Å; E136-K139 IonicContact OE1-NZ 2.75Å; E136-K139 PolarHBondContact OE1-NZ 3.03Å; E136-K139 IonicContact OE2-NZ 3.59Å; E136-K139 PolarHBondContact OE2-NZ 3.46Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 3.19Å; K139-M141 VanDerWaalsContact C-N 3.33Å; K139-M141 PolarHBondContact O-N 2.97Å; K139-A142 PolarHBondContact O-N 3.42Å; K139-E143 WeakPolarHBondContact O-CB 3.37Å; K139-E143 WeakPolarHBondContact O-CG 3.27Å; K139-E143 PolarHBondContact O-N 3.32Å |
| 140 | E | 95.1 | Very high | 92.5 | Very high | 128 Ų | 128 | 91.7 Ų | 91.7 | 60% | 0.598 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 175.5 | -73.6 | -175.6 | 172 | 0 | 0 | 111.2 | E136 E137 E143 F144 | E136-E140 WeakPolarHBondContact O-CG 3.31Å; E136-E140 PolarHBondContact O-N 2.95Å; E137-E140 PolarHBondContact O-N 3.48Å; E140-E143 PolarHBondContact O-N 3.48Å; E140-F144 WeakPolarHBondContact O-CB 3.43Å; E140-F144 PolarHBondContact O-N 2.92Å |
| 141 | M | 91 | Very high | 92 | Very high | 94 Ų | 94 | 92.8 Ų | 92.8 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.9 | -172.2 | -178.2 | -62.6 | 0 | 0 | 112 | E137 D138 K139 F144 L145 | E137-M141 WeakPolarHBondContact O-CB 3.38Å; E137-M141 PolarHBondContact O-N 3.23Å; D138-M141 PolarHBondContact O-N 2.85Å; K139-M141 VanDerWaalsContact C-N 3.33Å; K139-M141 PolarHBondContact O-N 2.97Å; M141-F144 PolarHBondContact O-N 2.98Å; M141-L145 HydrophobicContact CG-CD1 4.28Å; M141-L145 WeakPolarHBondContact O-CG 3.1Å; M141-L145 PolarHBondContact O-N 2.66Å |
| 142 | A | 91.8 | Very high | 91.3 | Very high | 57 Ų | 57 | 93.6 Ų | 93.6 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | D138 K139 L145 R146 | D138-A142 WeakPolarHBondContact O-CB 3.46Å; D138-A142 PolarHBondContact O-N 3.27Å; K139-A142 PolarHBondContact O-N 3.42Å; A142-L145 PolarHBondContact O-N 2.89Å; A142-R146 VanDerWaalsContact O-CB 3.32Å; A142-R146 WeakPolarHBondContact O-CB 3.41Å; A142-R146 PolarHBondContact O-N 3.04Å |
| 143 | E | 94.4 | Very high | 90.3 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 41% | 0.407 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.5 | -76.8 | -62.1 | 147 | 0 | 0 | 112.1 | K139 E140 R146 L147 | K139-E143 WeakPolarHBondContact O-CB 3.37Å; K139-E143 WeakPolarHBondContact O-CG 3.27Å; K139-E143 PolarHBondContact O-N 3.32Å; E140-E143 PolarHBondContact O-N 3.48Å; E143-R146 PolarHBondContact O-N 3.38Å; E143-R146 IonicContact OE1-CZ 2.72Å; E143-R146 IonicContact OE1-NE 2.71Å; E143-R146 IonicContact OE1-NH1 2.7Å; E143-R146 IonicContact OE1-NH2 3.44Å; E143-R146 PolarHBondContact OE1-NH2 3.29Å; E143-R146 IonicContact OE2-CZ 3.46Å; E143-R146 IonicContact OE2-NE 2.97Å; E143-R146 PolarHBondContact OE2-NE 3.49Å; E143-R146 VanDerWaalsContact OE2-NE 3.15Å; E143-R146 IonicContact OE2-NH2 2.72Å; E143-R146 PolarHBondContact OE2-NH2 3.44Å; E143-L147 WeakPolarHBondContact O-CB 3.38Å; E143-L147 PolarHBondContact O-N 3.03Å |
| 144 | F | 93.3 | Very high | 89.5 | Confident | 120 Ų | 120 | 94 Ų | 94 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 174.8 | 176 | -97.6 | 0 | 0 | 0 | 111.6 | E140 M141 R146 L147 K148 | E140-F144 WeakPolarHBondContact O-CB 3.43Å; E140-F144 PolarHBondContact O-N 2.92Å; M141-F144 PolarHBondContact O-N 2.98Å; F144-R146 PolarHBondContact O-N 3.46Å; F144-L147 PolarHBondContact O-N 3.3Å; F144-K148 HydrophobicContact CD1-CG 4.32Å; F144-K148 HydrophobicContact CD2-CG 4.45Å; F144-K148 HydrophobicContact CE1-CG 3.94Å; F144-K148 HydrophobicContact CE2-CD 4.44Å; F144-K148 VanDerWaalsContact CE2-CE 3.45Å; F144-K148 HydrophobicContact CE2-CG 4.09Å; F144-K148 HydrophobicContact CZ-CD 4.26Å; F144-K148 VanDerWaalsContact CZ-CE 3.49Å; F144-K148 HydrophobicContact CZ-CG 3.83Å; F144-K148 WeakPolarHBondContact O-CG 3.44Å; F144-K148 PolarHBondContact O-N 3.34Å |
| 145 | L | 88.9 | Confident | 88.6 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 45% | 0.45 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.3 | -71.7 | 172.8 | 0 | 0 | 0 | 111.2 | M141 A142 L147 K148 L149 | M141-L145 HydrophobicContact CG-CD1 4.28Å; M141-L145 WeakPolarHBondContact O-CG 3.1Å; M141-L145 PolarHBondContact O-N 2.66Å; A142-L145 PolarHBondContact O-N 2.89Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3Å; L145-K148 PolarHBondContact O-N 3.44Å; L145-L149 HydrophobicContact CB-CD1 4.48Å; L145-L149 VanDerWaalsContact O-CB 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.44Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.01Å |
| 146 | R | 91.1 | Very high | 87.6 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 176.3 | -171.3 | -179.5 | 76 | 157.6 | 0.7 | 111.6 | A142 E143 F144 R150 | A142-R146 VanDerWaalsContact O-CB 3.32Å; A142-R146 WeakPolarHBondContact O-CB 3.41Å; A142-R146 PolarHBondContact O-N 3.04Å; E143-R146 PolarHBondContact O-N 3.38Å; E143-R146 IonicContact OE1-CZ 2.72Å; E143-R146 IonicContact OE1-NE 2.71Å; E143-R146 IonicContact OE1-NH1 2.7Å; E143-R146 IonicContact OE1-NH2 3.44Å; E143-R146 PolarHBondContact OE1-NH2 3.29Å; E143-R146 IonicContact OE2-CZ 3.46Å; E143-R146 IonicContact OE2-NE 2.97Å; E143-R146 PolarHBondContact OE2-NE 3.49Å; E143-R146 VanDerWaalsContact OE2-NE 3.15Å; E143-R146 IonicContact OE2-NH2 2.72Å; E143-R146 PolarHBondContact OE2-NH2 3.44Å; F144-R146 PolarHBondContact O-N 3.46Å; R146-R150 WeakPolarHBondContact O-CB 3.48Å; R146-R150 PolarHBondContact O-N 2.86Å |
| 147 | L | 91.9 | Very high | 86 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 179.2 | -174.1 | 63.4 | 0 | 0 | 0 | 112.1 | E143 F144 L145 | E143-L147 WeakPolarHBondContact O-CB 3.38Å; E143-L147 PolarHBondContact O-N 3.03Å; F144-L147 PolarHBondContact O-N 3.3Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3Å |
| 148 | K | 89.1 | Confident | 84.4 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73 | -34.1 | 179.8 | -69.5 | -67.8 | -176.4 | 177.8 | 0 | 113.5 | F144 L145 P151 | F144-K148 HydrophobicContact CD1-CG 4.32Å; F144-K148 HydrophobicContact CD2-CG 4.45Å; F144-K148 HydrophobicContact CE1-CG 3.94Å; F144-K148 HydrophobicContact CE2-CD 4.44Å; F144-K148 VanDerWaalsContact CE2-CE 3.45Å; F144-K148 HydrophobicContact CE2-CG 4.09Å; F144-K148 HydrophobicContact CZ-CD 4.26Å; F144-K148 VanDerWaalsContact CZ-CE 3.49Å; F144-K148 HydrophobicContact CZ-CG 3.83Å; F144-K148 WeakPolarHBondContact O-CG 3.44Å; F144-K148 PolarHBondContact O-N 3.34Å; L145-K148 PolarHBondContact O-N 3.44Å; K148-P151 WeakPolarHBondContact O-CD 3.43Å |
| 149 | L | 87.9 | Confident | 82.4 | Confident | 80 Ų | 80 | 107 Ų | 107 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -87.8 | -20.7 | -177.9 | -63.2 | 175.3 | 0 | 0 | 0 | 113.2 | L145 P151 L152 E153 | L145-L149 HydrophobicContact CB-CD1 4.48Å; L145-L149 VanDerWaalsContact O-CB 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.44Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.01Å; L149-P151 VanDerWaalsContact C-CD 3.41Å; L149-P151 VanDerWaalsContact C-N 3.32Å; L149-P151 VanDerWaalsContact O-N 3.17Å; L149-L152 HydrophobicContact CD2-CD1 3.87Å; L149-L152 WeakPolarHBondContact O-CA 3.41Å; L149-L152 WeakPolarHBondContact O-CB 3.38Å; L149-L152 PolarHBondContact O-N 2.93Å; L149-E153 PolarHBondContact O-N 3.39Å |
| 150 | R | 84.1 | Confident | 80.4 | Confident | 110 Ų | 110 | 106.5 Ų | 106.5 | 42% | 0.415 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -47 | -44.1 | 177.4 | -175.9 | -169.2 | -61.7 | 176 | 0.2 | 114 | R146 L152 E153 Q154 | R146-R150 WeakPolarHBondContact O-CB 3.48Å; R146-R150 PolarHBondContact O-N 2.86Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.18Å; R150-E153 PolarHBondContact O-N 3.21Å; R150-Q154 WeakPolarHBondContact O-CG 3.33Å; R150-Q154 PolarHBondContact O-N 2.65Å |
| 151 | P | 85.3 | Confident | 78.2 | Confident | 67 Ų | 67 | 107.7 Ų | 107.7 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -32 | 177.5 | -20.9 | 34.7 | 0 | 0 | 0 | 113.7 | K148 L149 K155 | K148-P151 WeakPolarHBondContact O-CD 3.43Å; L149-P151 VanDerWaalsContact C-CD 3.41Å; L149-P151 VanDerWaalsContact C-N 3.32Å; L149-P151 VanDerWaalsContact O-N 3.17Å; P151-K155 WeakPolarHBondContact O-CG 3.43Å; P151-K155 PolarHBondContact O-N 3.18Å; P151-K155 VanDerWaalsContact O-N 3.16Å |
| 152 | L | 79.9 | Confident | 75.9 | Confident | 96 Ų | 96 | 108.9 Ų | 108.9 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72 | -42.5 | 176.7 | -62.5 | 174 | 0 | 0 | 0 | 110.7 | L149 R150 Q154 K155 L156 | L149-L152 HydrophobicContact CD2-CD1 3.87Å; L149-L152 WeakPolarHBondContact O-CA 3.41Å; L149-L152 WeakPolarHBondContact O-CB 3.38Å; L149-L152 PolarHBondContact O-N 2.93Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.18Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 3.05Å; L152-K155 PolarHBondContact O-N 3.33Å; L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 3.05Å |
| 153 | E | 75 | Confident | 73.8 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.2 | -39.7 | 175.1 | -66.6 | 179.9 | -178.3 | 0 | 0 | 112.4 | L149 R150 L156 K157 | L149-E153 PolarHBondContact O-N 3.39Å; R150-E153 PolarHBondContact O-N 3.21Å; E153-L156 PolarHBondContact O-N 3.12Å; E153-K157 WeakPolarHBondContact O-CB 3.48Å; E153-K157 WeakPolarHBondContact O-CG 3.1Å; E153-K157 PolarHBondContact O-N 2.8Å |
| 154 | Q | 78.5 | Confident | 71.1 | Confident | 121 Ų | 121 | 119.6 Ų | 119.6 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.7 | -39.7 | 175.9 | -73.5 | 173.7 | -4.9 | 0 | 0 | 111.9 | R150 L152 K157 A158 | R150-Q154 WeakPolarHBondContact O-CG 3.33Å; R150-Q154 PolarHBondContact O-N 2.65Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 3.05Å; Q154-K157 PolarHBondContact O-N 3.31Å; Q154-A158 VanDerWaalsContact O-CB 3.27Å; Q154-A158 WeakPolarHBondContact O-CB 3.23Å; Q154-A158 PolarHBondContact O-N 3.15Å |
| 155 | K | 76.3 | Confident | 68.5 | Low | 153 Ų | 153 | 119.5 Ų | 119.5 | 67% | 0.665 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.6 | -41 | 174.3 | -76 | 178.5 | 180 | -176.2 | 0 | 112.3 | P151 L152 A158 T159 | P151-K155 WeakPolarHBondContact O-CG 3.43Å; P151-K155 PolarHBondContact O-N 3.18Å; P151-K155 VanDerWaalsContact O-N 3.16Å; L152-K155 PolarHBondContact O-N 3.33Å; K155-A158 PolarHBondContact O-N 2.8Å; K155-T159 PolarHBondContact O-OG1 3.4Å |
| 156 | L | 71 | Confident | 66.2 | Low | 133 Ų | 133 | 125 Ų | 125 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.7 | -38.7 | 175.9 | -71.4 | 165.8 | 0 | 0 | 0 | 112.2 | L152 E153 T159 | L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 3.05Å; E153-L156 PolarHBondContact O-N 3.12Å; L156-T159 PolarHBondContact O-OG1 3.41Å |
| 157 | K | 63.5 | Low | 63.6 | Low | 156 Ų | 156 | 130 Ų | 130 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.1 | -24.4 | 176.2 | -73.2 | 171.2 | -179.5 | 168.9 | 0 | 113.6 | E153 Q154 T159 | E153-K157 WeakPolarHBondContact O-CB 3.48Å; E153-K157 WeakPolarHBondContact O-CG 3.1Å; E153-K157 PolarHBondContact O-N 2.8Å; Q154-K157 PolarHBondContact O-N 3.31Å; K157-T159 VanDerWaalsContact C-N 3.27Å; K157-T159 PolarHBondContact O-N 2.73Å |
| 158 | A | 57.6 | Low | 61.3 | Low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -2.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q154 K155 P160 | Q154-A158 VanDerWaalsContact O-CB 3.27Å; Q154-A158 WeakPolarHBondContact O-CB 3.23Å; Q154-A158 PolarHBondContact O-N 3.15Å; K155-A158 PolarHBondContact O-N 2.8Å; A158-P160 WeakPolarHBondContact O-CD 3.49Å |
| 159 | T | 51.1 | Low | 58.9 | Low | 108 Ų | 108 | 134.7 Ų | 134.7 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | -99.2 | 68.7 | 167.8 | 28.5 | 0 | 0 | 0 | 0 | 113.4 | K155 L156 K157 | K155-T159 PolarHBondContact O-OG1 3.4Å; L156-T159 PolarHBondContact O-OG1 3.41Å; K157-T159 VanDerWaalsContact C-N 3.27Å; K157-T159 PolarHBondContact O-N 2.73Å | ||
| 160 | P | 51.8 | Low | 56.6 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | trans | -97 | 134 | 148.2 | 33 | -20.8 | 0 | 0 | 0 | 108.7 | A158 | A158-P160 WeakPolarHBondContact O-CD 3.49Š| ||
| 161 | N | 49.4 | Very low | 54.6 | Low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | 79.8 | 67.4 | 179.8 | -73 | -15.3 | 0 | 0 | 0 | 117.8 | ||||
| 162 | S | 42.1 | Very low | 52.8 | Low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -94 | 103.2 | 132.1 | -74.3 | 0 | 0 | 0 | 0 | 107.3 | K164 | S162-K164 PolarHBondContact O-N 3.36Š| ||
| 163 | Q | 47.8 | Very low | 51.3 | Low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -44.6 | 124.1 | 170.5 | -65.1 | 171.6 | -1.7 | 0 | 0 | 108.5 | P165 | Q163-P165 WeakPolarHBondContact O-CD 3.47Å; Q163-P165 VanDerWaalsContact O-N 3.08Å | ||
| 164 | K | 38.3 | Very low | 50.1 | Low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -54 | 114.9 | 164.1 | -74.1 | 179.4 | 176.7 | 178.8 | 0 | 107.1 | S162 K166 | S162-K164 PolarHBondContact O-N 3.36Å; K164-K166 PolarHBondContact O-N 2.96Å | ||
| 165 | P | 38.6 | Very low | 48.2 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -66.2 | 119.5 | 157.5 | -5 | 23.2 | 0 | 0 | 0 | 104.7 | Q163 R167 | Q163-P165 WeakPolarHBondContact O-CD 3.47Å; Q163-P165 VanDerWaalsContact O-N 3.08Å; P165-R167 PolarHBondContact O-N 3.4Å | ||
| 166 | K | 40.4 | Very low | 46.6 | Very low | 203 Ų | 203 | 148.6 Ų | 148.6 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -56 | 97 | 160.9 | -86.9 | 178.5 | 173.9 | 177.9 | 0 | 106.4 | K164 Q168 | K164-K166 PolarHBondContact O-N 2.96Å; K166-Q168 PolarHBondContact O-N 2.94Å; K166-Q168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | R | 36.1 | Very low | 45.4 | Very low | 239 Ų | 239 | 148 Ų | 148 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 105.7 | 169.2 | -145.1 | 173.5 | -170.8 | 175.9 | 1.7 | 105.7 | P165 I169 | P165-R167 PolarHBondContact O-N 3.4Å; R167-I169 PolarHBondContact O-N 2.92Å | ||
| 168 | Q | 42.8 | Very low | 44.2 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 129.4 | 171.5 | -68.5 | 172.9 | -0.6 | 0 | 0 | 108.2 | K166 P170 | K166-Q168 PolarHBondContact O-N 2.94Å; K166-Q168 VanDerWaalsContact O-N 3.12Å; Q168-P170 WeakPolarHBondContact O-CD 3.36Å |
| 169 | I | 40 | Very low | 43.5 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121 | 167.8 | -61.3 | 166 | 0 | 0 | 0 | 105.8 | R167 E171 | R167-I169 PolarHBondContact O-N 2.92Å; I169-E171 PolarHBondContact O-N 3.47Å |
| 170 | P | 38.2 | Very low | 43.2 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 128.7 | 171.3 | -13.8 | 29.3 | 0 | 0 | 0 | 109.3 | Q168 | Q168-P170 WeakPolarHBondContact O-CD 3.36Š|
| 171 | E | 42.2 | Very low | 43 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 138 | 170.8 | -76.1 | -173.1 | 147.1 | 0 | 0 | 110.9 | I169 | I169-E171 PolarHBondContact O-N 3.47Š|
| 172 | P | 47.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 143.2 | 170.9 | 29.5 | -29.9 | 0 | 0 | 0 | 111.4 | ||
| 173 | P | 48.8 | Very low | 42.3 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 155.9 | -174 | 27.5 | -33.4 | 0 | 0 | 0 | 113.7 | ||
| 174 | P | 49.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 119.6 | -169.3 | 33.4 | -30.3 | 0 | 0 | 0 | 111.3 | ||
| 175 | N | 39.9 | Very low | 42.7 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -171.1 | 108.7 | 145.7 | -94.8 | -32.4 | 0 | 0 | 0 | 112.7 | ||||
| 176 | K | 42 | Very low | 43.2 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -10.9 | 168.5 | 161.2 | -59.5 | 175.2 | -175.6 | 177.1 | 0 | 121.1 | ||||
| 177 | P | 45.6 | Very low | 43.7 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | cis | -127.7 | 162.6 | -0.4 | 27.7 | -5.8 | 0 | 0 | 0 | 116.7 | ||||
| 178 | F | 38 | Very low | 44.1 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -49 | 138.5 | 167 | -99.4 | -118.8 | 0 | 0 | 0 | 114.8 | T180 | F178-T180 HydrophobicContact CD1-CG2 4.32Š| ||
| 179 | I | 44.4 | Very low | 44.1 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -123.8 | 101.8 | 148.9 | -61.1 | 178.2 | 0 | 0 | 0 | 107.6 | K181 | I179-K181 HydrophobicContact CG2-CG 4.42Š| ||
| 180 | T | 44.1 | Very low | 44 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | trans | -70.5 | 125 | 160.6 | 21.3 | 0 | 0 | 0 | 0 | 109.4 | F178 | F178-T180 HydrophobicContact CD1-CG2 4.32Š| ||
| 181 | K | 47.2 | Very low | 44.4 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -133.4 | 106.6 | 152.3 | -79.8 | -168.5 | 176.3 | 179.4 | 0 | 110.1 | I179 | I179-K181 HydrophobicContact CG2-CG 4.42Š| ||
| 182 | S | 40.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -63.9 | 154.4 | 158.1 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 183 | G | 35.8 | Very low | 44 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 97.9 | 135.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 184 | A | 45.3 | Very low | 43.7 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | cis | -160.2 | 152.1 | 4.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 185 | A | 49.7 | Very low | 43.5 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -65.5 | 135.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 186 | I | 49.6 | Very low | 43.3 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -142.9 | 97.7 | 145.3 | -56.9 | -174.8 | 0 | 0 | 0 | 107.6 | K188 | I186-K188 HydrophobicContact CG2-CB 4.03Š| ||
| 187 | I | 50.2 | Low | 43.1 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -81 | 120.3 | 149 | -63.4 | 172.2 | 0 | 0 | 0 | 104.6 | ||||
| 188 | K | 45.9 | Very low | 42.7 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 79% | 0.787 | 82% | 0.817 | S | S | * | * | trans | -148.8 | 116.9 | 158.7 | -146.6 | 169 | -175.3 | 178.7 | 0 | 110 | I186 | I186-K188 HydrophobicContact CG2-CB 4.03Š| ||
| 189 | D | 42.1 | Very low | 42.9 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 84% | 0.839 | S | S | * | * | trans | -27.9 | 142 | 166.4 | -56 | -55.2 | 0 | 0 | 0 | 115.2 | ||||
| 190 | C | 38.8 | Very low | 42.9 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 90% | 0.899 | 84% | 0.842 | S | S | * | * | -163.2 | 102.9 | 129.9 | -94.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 191 | C | 45.1 | Very low | 42.8 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 93% | 0.926 | 85% | 0.85 | S | S | * | * | trans | -85.2 | 140.6 | 157.7 | -122.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 192 | G | 39.8 | Very low | 42.6 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | trans | 89.1 | 141.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 193 | V | 43.2 | Very low | 42.7 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 90% | 0.903 | 85% | 0.849 | S | S | * | * | cis | -164 | 137.2 | 14.3 | -177.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 194 | A | 42 | Very low | 43.1 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 65% | 0.653 | 85% | 0.851 | S | S | * | * | trans | 156.8 | 119 | 131 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 195 | Q | 45.4 | Very low | 43 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | 86.3 | 97 | 138.8 | -72.8 | 167.2 | -15.1 | 0 | 0 | 121.2 | ||||
| 196 | C | 34.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 88% | 0.878 | 86% | 0.857 | S | S | * | * | trans | -28.1 | 145.3 | 138.1 | -71.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 197 | A | 38.9 | Very low | 42 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | -158.1 | 133.3 | 110.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 198 | V | 37.3 | Very low | 41.3 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 85% | 0.848 | 86% | 0.863 | S | S | * | * | trans | -86.6 | 136.5 | 166.1 | 168.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 199 | M | 42.4 | Very low | 40.8 | Very low | 261 Ų | 261 | 138.8 Ų | 138.8 | 100% | 1.286 | 87% | 0.869 | S | S | * | * | trans | -145.9 | 0 | 140.5 | -92.9 | -159 | -76.4 | 0 | 0 | 108.4 |
Retrieved 199 of 199 residues in 171.3 ms
(Link to these results)