| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.7 | Very low | 36.4 | Very low | 224 Ų | 224 | 143.3 Ų | 143.3 | 100% | 1.103 | 84% | 0.844 | S | S | * | * | 0 | 88.1 | 0 | -78.3 | 165 | 143.8 | 0 | 0 | 106 | |||||
| 2 | E | 34.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 84% | 0.836 | 84% | 0.843 | S | S | * | * | 54.7 | 127.4 | 84.2 | -71.9 | 168.2 | 104.4 | 0 | 0 | 110.3 | |||||
| 3 | S | 36.5 | Very low | 37.1 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 83% | 0.832 | S | S | * | * | cis | 174.6 | 149.5 | 1.5 | 36.5 | 0 | 0 | 0 | 0 | 104 | ||||
| 4 | R | 37 | Very low | 37.2 | Very low | 244 Ų | 244 | 143.8 Ų | 143.8 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | 165.2 | 123.9 | 121.4 | -131.4 | 165.6 | 179.3 | 164.2 | -1.3 | 112.6 | |||||
| 5 | S | 37.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -84.8 | 161.7 | 167.7 | -46.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 6 | G | 33.3 | Very low | 37.8 | Very low | 80 Ų | 80 | 151.9 Ų | 151.9 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | 103.4 | 131.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 7 | S | 32.3 | Very low | 38.3 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | cis | -153.9 | 144.7 | 38.4 | 48.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 8 | S | 44.3 | Very low | 38.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -79.1 | 128.7 | 158.3 | 172.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | V | 39.2 | Very low | 39.5 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -144.3 | 114.5 | 156.5 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | D | 33.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -25.8 | 126.6 | 161.5 | -85.6 | -48.9 | 0 | 0 | 0 | 115.2 | R12 | D10-R12 PolarHBondContact O-N 3.12Å; D10-R12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | S | 34.8 | Very low | 40.9 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 92% | 0.923 | 80% | 0.795 | S | S | * | * | trans | -83.2 | 76 | 154.5 | -68.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | R | 36.9 | Very low | 42 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -67.8 | 133.3 | 164.4 | -127.4 | 178.5 | -179.1 | 162.4 | 0.2 | 108.8 | D10 | D10-R12 PolarHBondContact O-N 3.12Å; D10-R12 VanDerWaalsContact O-N 3.11Å | ||
| 13 | A | 44.6 | Very low | 43.1 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | 57.2 | 102.5 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 14 | T | 38 | Very low | 44.1 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -143.5 | 62.6 | 139.6 | 21.3 | 0 | 0 | 0 | 0 | 109.5 | R16 | T14-R16 PolarHBondContact O-N 3.18Š| ||
| 15 | L | 44.8 | Very low | 45.2 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 97% | 0.974 | 72% | 0.721 | S | S | * | * | trans | -68.9 | 72.2 | 151 | -165.3 | 92 | 0 | 0 | 0 | 106.8 | G17 | L15-G17 PolarHBondContact O-N 3.06Å; L15-G17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | R | 39.9 | Very low | 46.2 | Very low | 231 Ų | 231 | 122.8 Ų | 122.8 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -83.8 | 93.5 | -175.4 | -166.5 | 175.2 | -167.6 | 170.6 | 2.9 | 108.9 | T14 | T14-R16 PolarHBondContact O-N 3.18Š| ||
| 17 | G | 45.6 | Very low | 47.6 | Very low | 55 Ų | 55 | 123.1 Ų | 123.1 | 57% | 0.567 | 69% | 0.69 | S | S | * | * | trans | 60.5 | 73.4 | 140 | 0 | 0 | 0 | 0 | 0 | 116.3 | L15 N19 | L15-G17 PolarHBondContact O-N 3.06Å; L15-G17 VanDerWaalsContact O-N 3.15Å; G17-N19 PolarHBondContact O-N 2.88Å | ||
| 18 | I | 50.3 | Low | 48.9 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -65 | 123.8 | 149.1 | -59.4 | 172.7 | 0 | 0 | 0 | 105.3 | T20 | I18-T20 HydrophobicContact CB-CG2 4.25Å; I18-T20 HydrophobicContact CG2-CG2 3.89Å; I18-T20 PolarHBondContact O-N 3.08Å; I18-T20 PolarHBondContact O-OG1 3.4Å | ||
| 19 | N | 49.4 | Very low | 49.7 | Very low | 133 Ų | 133 | 121 Ų | 121 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | -63.4 | 69.3 | 175.5 | -67.9 | -37.3 | 0 | 0 | 0 | 110.8 | G17 P22 | G17-N19 PolarHBondContact O-N 2.88Å; N19-P22 HydrophobicContact CB-CG 4.28Å; N19-P22 WeakPolarHBondContact O-CD 3.4Å | ||
| 20 | T | 54 | Low | 50.5 | Low | 84 Ų | 84 | 119.9 Ų | 119.9 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -79.8 | -22.4 | 179 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | I18 L23 L24 | I18-T20 HydrophobicContact CB-CG2 4.25Å; I18-T20 HydrophobicContact CG2-CG2 3.89Å; I18-T20 PolarHBondContact O-N 3.08Å; I18-T20 PolarHBondContact O-OG1 3.4Å; T20-L23 PolarHBondContact O-N 2.97Å; T20-L24 WeakPolarHBondContact O-CB 3.25Å; T20-L24 PolarHBondContact O-N 2.8Å |
| 21 | T | 55.3 | Low | 51.6 | Low | 108 Ų | 108 | 117.6 Ų | 117.6 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61 | -47.3 | -179.7 | 26.8 | 0 | 0 | 0 | 0 | 115.2 | A25 | T21-A25 VanDerWaalsContact O-CB 3.29Å; T21-A25 WeakPolarHBondContact O-CB 3.25Å; T21-A25 PolarHBondContact O-N 2.52Å |
| 22 | P | 60 | Low | 52.6 | Low | 83 Ų | 83 | 113.8 Ų | 113.8 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.4 | -31.5 | 178.5 | 26.4 | -33.9 | 0 | 0 | 0 | 112.6 | N19 R26 | N19-P22 HydrophobicContact CB-CG 4.28Å; N19-P22 WeakPolarHBondContact O-CD 3.4Å; P22-R26 WeakPolarHBondContact O-CB 3.2Å; P22-R26 PolarHBondContact O-N 2.95Å; P22-R26 VanDerWaalsContact O-N 3.09Å |
| 23 | L | 57.4 | Low | 53.4 | Low | 106 Ų | 106 | 106.9 Ų | 106.9 | 56% | 0.555 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.3 | -42.6 | 178.9 | -143.8 | -166.3 | 0 | 0 | 0 | 110.8 | T20 R26 I27 | T20-L23 PolarHBondContact O-N 2.97Å; L23-R26 WeakPolarHBondContact O-CB 3.34Å; L23-R26 PolarHBondContact O-N 3.22Å; L23-I27 HydrophobicContact CD2-CD1 3.6Å; L23-I27 HydrophobicContact CD2-CG1 3.82Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 2.95Å; L23-I27 PolarHBondContact O-N 3.13Å |
| 24 | L | 58.3 | Low | 53.8 | Low | 97 Ų | 97 | 106 Ų | 106 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.2 | -44.4 | 178.1 | -154.6 | 169.8 | 0 | 0 | 0 | 110.5 | T20 R26 I27 E28 | T20-L24 WeakPolarHBondContact O-CB 3.25Å; T20-L24 PolarHBondContact O-N 2.8Å; L24-R26 VanDerWaalsContact C-N 3.27Å; L24-R26 PolarHBondContact O-N 3.36Å; L24-I27 CarbonylContact O-C 3.53Å; L24-I27 PolarHBondContact O-N 3.05Å; L24-I27 VanDerWaalsContact O-N 3.15Å; L24-E28 HydrophobicContact CD2-CG 4.4Å; L24-E28 WeakPolarHBondContact O-CB 2.91Å; L24-E28 PolarHBondContact O-N 3.42Å |
| 25 | A | 59 | Low | 54.6 | Low | 54 Ų | 54 | 105.5 Ų | 105.5 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -35.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T21 S29 | T21-A25 VanDerWaalsContact O-CB 3.29Å; T21-A25 WeakPolarHBondContact O-CB 3.25Å; T21-A25 PolarHBondContact O-N 2.52Å; A25-S29 WeakPolarHBondContact O-CB 3.49Å; A25-S29 PolarHBondContact O-N 2.72Å; A25-S29 PolarHBondContact O-OG 2.98Å |
| 26 | R | 59.4 | Low | 55.2 | Low | 154 Ų | 154 | 103.7 Ų | 103.7 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -46.4 | 172.7 | -172.5 | 168.3 | -172.4 | 142.8 | 5.3 | 111.1 | P22 L23 L24 S29 Y30 | P22-R26 WeakPolarHBondContact O-CB 3.2Å; P22-R26 PolarHBondContact O-N 2.95Å; P22-R26 VanDerWaalsContact O-N 3.09Å; L23-R26 WeakPolarHBondContact O-CB 3.34Å; L23-R26 PolarHBondContact O-N 3.22Å; L24-R26 VanDerWaalsContact C-N 3.27Å; L24-R26 PolarHBondContact O-N 3.36Å; R26-S29 WeakPolarHBondContact CA-OG 3.49Å; R26-S29 PolarHBondContact O-N 2.88Å; R26-S29 PolarHBondContact O-OG 3.19Å; R26-Y30 HydrophobicContact CG-CD2 3.77Å; R26-Y30 HydrophobicContact CG-CE2 3.42Å; R26-Y30 VanDerWaalsContact CG-CE2 3.42Å; R26-Y30 PolarHBondContact NH2-OH 2.63Å; R26-Y30 WeakPolarHBondContact O-CD2 3.14Å; R26-Y30 PolarHBondContact O-N 3.35Å |
| 27 | I | 62.4 | Low | 56 | Low | 86 Ų | 86 | 94.7 Ų | 94.7 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.1 | -69.6 | 168.7 | 0 | 0 | 0 | 110.9 | L23 L24 S29 Y30 E31 | L23-I27 HydrophobicContact CD2-CD1 3.6Å; L23-I27 HydrophobicContact CD2-CG1 3.82Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 2.95Å; L23-I27 PolarHBondContact O-N 3.13Å; L24-I27 CarbonylContact O-C 3.53Å; L24-I27 PolarHBondContact O-N 3.05Å; L24-I27 VanDerWaalsContact O-N 3.15Å; I27-S29 VanDerWaalsContact C-N 3.35Å; I27-S29 PolarHBondContact O-N 2.71Å; I27-Y30 PolarHBondContact O-N 2.63Å; I27-E31 VanDerWaalsContact O-CB 3.3Å; I27-E31 WeakPolarHBondContact O-CB 3.26Å; I27-E31 PolarHBondContact O-N 2.94Å |
| 28 | E | 60.8 | Low | 56.8 | Low | 121 Ų | 121 | 95.7 Ų | 95.7 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 179.8 | -122.9 | -179.6 | 167.8 | 0 | 0 | 111.7 | L24 E31 A32 | L24-E28 HydrophobicContact CD2-CG 4.4Å; L24-E28 WeakPolarHBondContact O-CB 2.91Å; L24-E28 PolarHBondContact O-N 3.42Å; E28-E31 PolarHBondContact O-N 3.34Å; E28-A32 WeakPolarHBondContact O-CB 3.15Å; E28-A32 PolarHBondContact O-N 3.41Å |
| 29 | S | 59.7 | Low | 57.3 | Low | 68 Ų | 68 | 90.8 Ų | 90.8 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | A25 R26 I27 S33 | A25-S29 WeakPolarHBondContact O-CB 3.49Å; A25-S29 PolarHBondContact O-N 2.72Å; A25-S29 PolarHBondContact O-OG 2.98Å; R26-S29 WeakPolarHBondContact CA-OG 3.49Å; R26-S29 PolarHBondContact O-N 2.88Å; R26-S29 PolarHBondContact O-OG 3.19Å; I27-S29 VanDerWaalsContact C-N 3.35Å; I27-S29 PolarHBondContact O-N 2.71Å; S29-S33 WeakPolarHBondContact O-CB 3.39Å; S29-S33 PolarHBondContact O-N 3.11Å |
| 30 | Y | 56.4 | Low | 58.2 | Low | 102 Ų | 102 | 88.9 Ų | 88.9 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 171.2 | -80 | -66.4 | 0 | 0 | 0 | 111.4 | R26 I27 S33 E34 | R26-Y30 HydrophobicContact CG-CD2 3.77Å; R26-Y30 HydrophobicContact CG-CE2 3.42Å; R26-Y30 VanDerWaalsContact CG-CE2 3.42Å; R26-Y30 PolarHBondContact NH2-OH 2.63Å; R26-Y30 WeakPolarHBondContact O-CD2 3.14Å; R26-Y30 PolarHBondContact O-N 3.35Å; I27-Y30 PolarHBondContact O-N 2.63Å; Y30-S33 CarbonylContact O-C 3.57Å; Y30-S33 PolarHBondContact O-N 2.86Å; Y30-E34 VanDerWaalsContact O-CB 3.32Å; Y30-E34 WeakPolarHBondContact O-CB 3.19Å; Y30-E34 PolarHBondContact O-N 3.43Å |
| 31 | E | 57.5 | Low | 59 | Low | 83 Ų | 83 | 85.8 Ų | 85.8 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | -179.4 | -152.2 | -168.9 | 153.4 | 0 | 0 | 111.5 | I27 E28 K35 | I27-E31 VanDerWaalsContact O-CB 3.3Å; I27-E31 WeakPolarHBondContact O-CB 3.26Å; I27-E31 PolarHBondContact O-N 2.94Å; E28-E31 PolarHBondContact O-N 3.34Å; E31-K35 VanDerWaalsContact CD-NZ 3.33Å; E31-K35 VanDerWaalsContact O-CB 3.29Å; E31-K35 WeakPolarHBondContact O-CB 3.44Å; E31-K35 WeakPolarHBondContact O-CD 3.42Å; E31-K35 WeakPolarHBondContact O-CG 3.3Å; E31-K35 PolarHBondContact O-N 3Å; E31-K35 WeakPolarHBondContact OE1-CE 3.25Å; E31-K35 IonicContact OE1-NZ 3.88Å; E31-K35 PolarHBondContact OE1-NZ 3.19Å |
| 32 | A | 54.6 | Low | 59.9 | Low | 53 Ų | 53 | 84.5 Ų | 84.5 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E28 K36 | E28-A32 WeakPolarHBondContact O-CB 3.15Å; E28-A32 PolarHBondContact O-N 3.41Å; A32-K36 WeakPolarHBondContact O-CG 3.45Å; A32-K36 PolarHBondContact O-N 2.95Å |
| 33 | S | 53.7 | Low | 60.7 | Low | 74 Ų | 74 | 88.5 Ų | 88.5 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.8 | -40 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | S29 Y30 K36 C37 | S29-S33 WeakPolarHBondContact O-CB 3.39Å; S29-S33 PolarHBondContact O-N 3.11Å; Y30-S33 CarbonylContact O-C 3.57Å; Y30-S33 PolarHBondContact O-N 2.86Å; S33-K36 PolarHBondContact O-N 3.24Å; S33-C37 WeakPolarHBondContact O-CB 3.32Å; S33-C37 PolarHBondContact O-N 2.93Å |
| 34 | E | 53.1 | Low | 61.8 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -51.6 | 173.7 | -107.7 | -179.8 | 125.3 | 0 | 0 | 110.6 | Y30 K36 C37 I38 | Y30-E34 VanDerWaalsContact O-CB 3.32Å; Y30-E34 WeakPolarHBondContact O-CB 3.19Å; Y30-E34 PolarHBondContact O-N 3.43Å; E34-K36 PolarHBondContact O-N 3.24Å; E34-C37 PolarHBondContact O-N 3.39Å; E34-I38 WeakPolarHBondContact O-CB 3.23Å; E34-I38 WeakPolarHBondContact O-CG2 3.28Å; E34-I38 PolarHBondContact O-N 3.05Å |
| 35 | K | 55.9 | Low | 62.7 | Low | 124 Ų | 124 | 84.1 Ų | 84.1 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.3 | -33.9 | 179.1 | -75.6 | 167.7 | -174.6 | 164.8 | 0 | 112 | E31 S39 | E31-K35 VanDerWaalsContact CD-NZ 3.33Å; E31-K35 VanDerWaalsContact O-CB 3.29Å; E31-K35 WeakPolarHBondContact O-CB 3.44Å; E31-K35 WeakPolarHBondContact O-CD 3.42Å; E31-K35 WeakPolarHBondContact O-CG 3.3Å; E31-K35 PolarHBondContact O-N 3Å; E31-K35 WeakPolarHBondContact OE1-CE 3.25Å; E31-K35 IonicContact OE1-NZ 3.88Å; E31-K35 PolarHBondContact OE1-NZ 3.19Å; K35-S39 VanDerWaalsContact O-CB 3.24Å; K35-S39 WeakPolarHBondContact O-CB 3.2Å; K35-S39 PolarHBondContact O-OG 3.36Å |
| 36 | K | 57.1 | Low | 63.5 | Low | 148 Ų | 148 | 84.2 Ų | 84.2 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -75.7 | -51 | 174.8 | -78.3 | 179.9 | 176.4 | -179.4 | 0 | 111.9 | A32 S33 E34 S39 D40 | A32-K36 WeakPolarHBondContact O-CG 3.45Å; A32-K36 PolarHBondContact O-N 2.95Å; S33-K36 PolarHBondContact O-N 3.24Å; E34-K36 PolarHBondContact O-N 3.24Å; K36-S39 PolarHBondContact O-N 3.3Å; K36-S39 PolarHBondContact O-OG 3.41Å; K36-D40 PolarHBondContact O-N 3.15Å; K36-D40 VanDerWaalsContact O-N 3.14Å |
| 37 | C | 56.2 | Low | 64.7 | Low | 42 Ų | 42 | 82.2 Ų | 82.2 | 28% | 0.284 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | -176.3 | -164.4 | 0 | 0 | 0 | 0 | 112.4 | S33 E34 S39 D40 V41 Q168 | S33-C37 WeakPolarHBondContact O-CB 3.32Å; S33-C37 PolarHBondContact O-N 2.93Å; E34-C37 PolarHBondContact O-N 3.39Å; C37-S39 VanDerWaalsContact C-N 3.26Å; C37-S39 PolarHBondContact O-N 2.91Å; C37-D40 PolarHBondContact O-N 3.3Å; C37-V41 WeakPolarHBondContact O-CG2 3.26Å; C37-V41 PolarHBondContact O-N 3.33Å; C37-Q168 PolarHBondContact SG-NE2 3.35Å |
| 38 | I | 61.9 | Low | 65.7 | Low | 76 Ų | 76 | 80.3 Ų | 80.3 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.9 | -31.9 | 178.2 | -158.6 | 164 | 0 | 0 | 0 | 112 | E34 R42 | E34-I38 WeakPolarHBondContact O-CB 3.23Å; E34-I38 WeakPolarHBondContact O-CG2 3.28Å; E34-I38 PolarHBondContact O-N 3.05Å; I38-R42 VanDerWaalsContact O-CD 3.3Å; I38-R42 WeakPolarHBondContact O-CD 3.02Å; I38-R42 WeakPolarHBondContact O-CG 3.3Å; I38-R42 PolarHBondContact O-N 2.78Å |
| 39 | S | 62.2 | Low | 66.7 | Low | 46 Ų | 46 | 74.6 Ų | 74.6 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.1 | -32.3 | -179.5 | 78 | 0 | 0 | 0 | 0 | 113 | K35 K36 C37 R43 | K35-S39 VanDerWaalsContact O-CB 3.24Å; K35-S39 WeakPolarHBondContact O-CB 3.2Å; K35-S39 PolarHBondContact O-OG 3.36Å; K36-S39 PolarHBondContact O-N 3.3Å; K36-S39 PolarHBondContact O-OG 3.41Å; C37-S39 VanDerWaalsContact C-N 3.26Å; C37-S39 PolarHBondContact O-N 2.91Å; S39-R43 WeakPolarHBondContact O-CB 3.13Å; S39-R43 PolarHBondContact O-N 3.23Å; S39-R43 VanDerWaalsContact O-N 3.09Å |
| 40 | D | 68.1 | Low | 68 | Low | 93 Ų | 93 | 73.6 Ų | 73.6 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -75 | -43.3 | -177.9 | -77.2 | -21.1 | 0 | 0 | 0 | 111.5 | K36 C37 R42 R43 T44 | K36-D40 PolarHBondContact O-N 3.15Å; K36-D40 VanDerWaalsContact O-N 3.14Å; C37-D40 PolarHBondContact O-N 3.3Å; D40-R42 PolarHBondContact O-N 3.25Å; D40-R43 PolarHBondContact O-N 2.78Å; D40-T44 PolarHBondContact O-N 3.34Å; D40-T44 PolarHBondContact O-OG1 2.74Å; D40-T44 VanDerWaalsContact O-OG1 3.11Å |
| 41 | V | 70.7 | Confident | 69.6 | Low | 19 Ų | 19 | 73.4 Ų | 73.4 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | C37 R43 T44 F45 V165 Q168 | C37-V41 WeakPolarHBondContact O-CG2 3.26Å; C37-V41 PolarHBondContact O-N 3.33Å; V41-R43 VanDerWaalsContact C-N 3.34Å; V41-R43 PolarHBondContact O-N 2.98Å; V41-T44 PolarHBondContact O-N 3.36Å; V41-F45 WeakPolarHBondContact O-CB 3.15Å; V41-F45 PolarHBondContact O-N 3.23Å; V41-V165 HydrophobicContact CG1-CB 4.19Å; V41-V165 HydrophobicContact CG1-CG1 4.14Å; V41-V165 HydrophobicContact CG1-CG2 3.73Å; V41-Q168 HydrophobicContact CG2-CG 4.15Å |
| 42 | R | 73.8 | Confident | 71.1 | Confident | 80 Ų | 80 | 69.5 Ų | 69.5 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | -179.9 | -65.6 | 175.6 | 131.2 | -143 | -14.7 | 112.4 | I38 D40 C46 Y105 E169 | I38-R42 VanDerWaalsContact O-CD 3.3Å; I38-R42 WeakPolarHBondContact O-CD 3.02Å; I38-R42 WeakPolarHBondContact O-CG 3.3Å; I38-R42 PolarHBondContact O-N 2.78Å; D40-R42 PolarHBondContact O-N 3.25Å; R42-C46 WeakPolarHBondContact O-CB 3.23Å; R42-C46 PolarHBondContact O-N 2.75Å; R42-Y105 HydrophobicContact CB-CE2 4.33Å; R42-Y105 WeakPolarHBondContact CD-OH 3.47Å; R42-Y105 HydrophobicContact CG-CE2 3.97Å; R42-Y105 VanDerWaalsContact CZ-CE2 3.47Å; R42-Y105 PolarHBondContact NE-OH 3.35Å; R42-Y105 PolarHBondContact NH1-OH 3.2Å; R42-Y105 VanDerWaalsContact NH2-CE2 3.34Å; R42-Y105 PolarHBondContact NH2-OH 3.11Å; R42-E169 IonicContact NE-OE1 3.89Å |
| 43 | R | 77.4 | Confident | 72.8 | Confident | 168 Ų | 168 | 68.7 Ų | 68.7 | 63% | 0.634 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68 | -45 | 175.9 | -174 | -173.4 | -59.2 | -126 | 1.1 | 111.1 | S39 D40 V41 F45 C46 L47 | S39-R43 WeakPolarHBondContact O-CB 3.13Å; S39-R43 PolarHBondContact O-N 3.23Å; S39-R43 VanDerWaalsContact O-N 3.09Å; D40-R43 PolarHBondContact O-N 2.78Å; V41-R43 VanDerWaalsContact C-N 3.34Å; V41-R43 PolarHBondContact O-N 2.98Å; R43-F45 VanDerWaalsContact C-N 3.34Å; R43-C46 PolarHBondContact O-N 3.02Å; R43-L47 WeakPolarHBondContact O-CB 3.24Å; R43-L47 PolarHBondContact O-N 2.87Å |
| 44 | T | 78.8 | Confident | 74.6 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | D40 V41 L47 F48 | D40-T44 PolarHBondContact O-N 3.34Å; D40-T44 PolarHBondContact O-OG1 2.74Å; D40-T44 VanDerWaalsContact O-OG1 3.11Å; V41-T44 PolarHBondContact O-N 3.36Å; T44-L47 PolarHBondContact O-N 2.96Å; T44-F48 WeakPolarHBondContact O-CB 3.35Å; T44-F48 PolarHBondContact O-N 3.24Å |
| 45 | F | 78.1 | Confident | 76.4 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -54.2 | 174.6 | 170.8 | -111.3 | 0 | 0 | 0 | 112.1 | V41 R43 L47 F48 V49 L101 Y105 L161 V165 | V41-F45 WeakPolarHBondContact O-CB 3.15Å; V41-F45 PolarHBondContact O-N 3.23Å; R43-F45 VanDerWaalsContact C-N 3.34Å; F45-L47 VanDerWaalsContact C-N 3.27Å; F45-L47 PolarHBondContact O-N 2.95Å; F45-F48 PolarHBondContact O-N 3.42Å; F45-F48 VanDerWaalsContact O-N 3.12Å; F45-V49 HydrophobicContact CD2-CG2 3.97Å; F45-V49 HydrophobicContact CE1-CG2 4.33Å; F45-V49 HydrophobicContact CE2-CG2 3.39Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CG2 3.25Å; F45-V49 PolarHBondContact O-N 3.37Å; F45-L101 HydrophobicContact CZ-CB 4.25Å; F45-Y105 HydrophobicContact CD1-CD2 4.38Å; F45-Y105 HydrophobicContact CE1-CD2 4.25Å; F45-L161 HydrophobicContact CD2-CD2 3.62Å; F45-L161 HydrophobicContact CD2-CG 4.11Å; F45-L161 HydrophobicContact CE2-CD1 3.96Å; F45-L161 HydrophobicContact CE2-CD2 3.09Å; F45-L161 HydrophobicContact CE2-CG 3.57Å; F45-L161 HydrophobicContact CZ-CD2 3.71Å; F45-L161 HydrophobicContact CZ-CG 4.48Å; F45-V165 HydrophobicContact CB-CG2 4.34Å |
| 46 | C | 76.7 | Confident | 78 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | R42 R43 F48 V49 T50 | R42-C46 WeakPolarHBondContact O-CB 3.23Å; R42-C46 PolarHBondContact O-N 2.75Å; R43-C46 PolarHBondContact O-N 3.02Å; C46-F48 VanDerWaalsContact C-N 3.33Å; C46-F48 PolarHBondContact O-N 3.49Å; C46-V49 PolarHBondContact O-N 3.37Å; C46-T50 WeakPolarHBondContact O-CB 3.37Å; C46-T50 WeakPolarHBondContact O-CG2 3.41Å; C46-T50 PolarHBondContact O-N 2.83Å; C46-T50 PolarHBondContact O-OG1 3.35Å |
| 47 | L | 83.1 | Confident | 79.5 | Confident | 113 Ų | 113 | 59 Ų | 59 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 176 | -172.5 | 146.2 | 0 | 0 | 0 | 111.8 | R43 T44 F45 T50 F51 | R43-L47 WeakPolarHBondContact O-CB 3.24Å; R43-L47 PolarHBondContact O-N 2.87Å; T44-L47 PolarHBondContact O-N 2.96Å; F45-L47 VanDerWaalsContact C-N 3.27Å; F45-L47 PolarHBondContact O-N 2.95Å; L47-T50 WeakPolarHBondContact CA-OG1 3.07Å; L47-T50 PolarHBondContact O-OG1 2.99Å; L47-F51 WeakPolarHBondContact O-CB 3.46Å; L47-F51 PolarHBondContact O-N 2.99Å |
| 48 | F | 83.3 | Confident | 81.2 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 20% | 0.197 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 179.6 | -164 | -98.9 | 0 | 0 | 0 | 112.3 | T44 F45 C46 F51 D52 I156 E157 L160 | T44-F48 WeakPolarHBondContact O-CB 3.35Å; T44-F48 PolarHBondContact O-N 3.24Å; F45-F48 PolarHBondContact O-N 3.42Å; F45-F48 VanDerWaalsContact O-N 3.12Å; C46-F48 VanDerWaalsContact C-N 3.33Å; C46-F48 PolarHBondContact O-N 3.49Å; F48-F51 PolarHBondContact O-N 3.05Å; F48-D52 PolarHBondContact O-N 3.43Å; F48-I156 HydrophobicContact CE1-CB 4.42Å; F48-I156 HydrophobicContact CE1-CG2 3.88Å; F48-I156 HydrophobicContact CE2-CG2 4.23Å; F48-I156 HydrophobicContact CZ-CB 4.13Å; F48-I156 HydrophobicContact CZ-CG2 3.36Å; F48-E157 HydrophobicContact CD1-CB 4.42Å; F48-E157 HydrophobicContact CD1-CG 3.58Å; F48-E157 HydrophobicContact CE1-CB 4.12Å; F48-E157 HydrophobicContact CE1-CG 3.36Å; F48-L160 HydrophobicContact CD1-CD1 3.53Å; F48-L160 HydrophobicContact CD2-CD1 3.68Å; F48-L160 HydrophobicContact CE1-CD1 3.48Å; F48-L160 VanDerWaalsContact CE1-CD1 3.48Å; F48-L160 HydrophobicContact CE2-CD1 3.63Å; F48-L160 HydrophobicContact CG-CD1 3.65Å; F48-L160 HydrophobicContact CZ-CD1 3.56Å |
| 49 | V | 83.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.1 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | F45 C46 L53 F98 L101 | F45-V49 HydrophobicContact CD2-CG2 3.97Å; F45-V49 HydrophobicContact CE1-CG2 4.33Å; F45-V49 HydrophobicContact CE2-CG2 3.39Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CG2 3.25Å; F45-V49 PolarHBondContact O-N 3.37Å; C46-V49 PolarHBondContact O-N 3.37Å; V49-L53 PolarHBondContact O-N 2.97Å; V49-F98 HydrophobicContact CG1-CD2 3.45Å; V49-F98 VanDerWaalsContact CG1-CD2 3.45Å; V49-F98 HydrophobicContact CG1-CE2 3.89Å; V49-F98 HydrophobicContact CG1-CG 4.41Å; V49-L101 HydrophobicContact CG1-CB 4.2Å; V49-L101 HydrophobicContact CG1-CD1 4.05Å; V49-L101 HydrophobicContact CG2-CB 4.47Å; V49-L101 HydrophobicContact CG2-CD1 3.73Å |
| 50 | T | 87.4 | Confident | 83.5 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71 | -39.5 | 173.3 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | C46 L47 D52 L53 L54 F98 | C46-T50 WeakPolarHBondContact O-CB 3.37Å; C46-T50 WeakPolarHBondContact O-CG2 3.41Å; C46-T50 PolarHBondContact O-N 2.83Å; C46-T50 PolarHBondContact O-OG1 3.35Å; L47-T50 WeakPolarHBondContact CA-OG1 3.07Å; L47-T50 PolarHBondContact O-OG1 2.99Å; T50-D52 PolarHBondContact O-N 3.45Å; T50-L53 PolarHBondContact O-N 2.58Å; T50-L54 VanDerWaalsContact O-CG 3.31Å; T50-L54 WeakPolarHBondContact O-CG 3.25Å; T50-L54 PolarHBondContact O-N 3.37Å; T50-F98 HydrophobicContact CG2-CE2 3.66Å; T50-F98 HydrophobicContact CG2-CZ 4.27Å |
| 51 | F | 88.6 | Confident | 84.3 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.5 | 172 | -101.3 | 0 | 0 | 0 | 112.3 | L47 F48 L54 F55 | L47-F51 WeakPolarHBondContact O-CB 3.46Å; L47-F51 PolarHBondContact O-N 2.99Å; F48-F51 PolarHBondContact O-N 3.05Å; F51-L54 PolarHBondContact O-N 3.46Å; F51-F55 HydrophobicContact CZ-CD2 4.21Å; F51-F55 WeakPolarHBondContact O-CB 3.4Å; F51-F55 PolarHBondContact O-N 2.97Å |
| 52 | D | 89.3 | Confident | 85 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 175.5 | 170.1 | 79.6 | 0 | 0 | 0 | 112.7 | F48 T50 L54 F55 I56 R97 L153 E157 | F48-D52 PolarHBondContact O-N 3.43Å; T50-D52 PolarHBondContact O-N 3.45Å; D52-L54 PolarHBondContact O-N 3.34Å; D52-F55 PolarHBondContact O-N 3.29Å; D52-I56 WeakPolarHBondContact O-CG1 3.28Å; D52-I56 PolarHBondContact O-N 3.33Å; D52-R97 IonicContact OD1-CZ 2.94Å; D52-R97 IonicContact OD1-NH1 2.77Å; D52-R97 IonicContact OD1-NH2 3.25Å; D52-R97 PolarHBondContact OD1-NH2 3.02Å; D52-R97 IonicContact OD2-CZ 3.17Å; D52-R97 VanDerWaalsContact OD2-CZ 3.25Å; D52-R97 IonicContact OD2-NE 2.68Å; D52-R97 IonicContact OD2-NH1 3.58Å; D52-R97 IonicContact OD2-NH2 3.62Å; D52-R97 PolarHBondContact OD2-NH2 3.3Å; D52-L153 WeakPolarHBondContact OD1-CB 3.31Å; D52-L153 VanDerWaalsContact OD1-CD1 3.26Å; D52-L153 WeakPolarHBondContact OD1-CD1 2.92Å; D52-E157 WeakPolarHBondContact CB-OE1 3.28Å |
| 53 | L | 89.9 | Confident | 85.4 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 179.1 | 179.7 | 120.1 | 0 | 0 | 0 | 110.3 | V49 T50 F55 T57 V95 F98 | V49-L53 PolarHBondContact O-N 2.97Å; T50-L53 PolarHBondContact O-N 2.58Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 2.82Å; L53-T57 VanDerWaalsContact O-CB 3.27Å; L53-T57 WeakPolarHBondContact O-CB 3.39Å; L53-T57 PolarHBondContact O-N 3.4Å; L53-T57 PolarHBondContact O-OG1 3.36Å; L53-V95 HydrophobicContact CD1-CB 4.34Å; L53-V95 HydrophobicContact CD1-CG2 3.94Å; L53-F98 HydrophobicContact CB-CD2 4.38Å; L53-F98 HydrophobicContact CD1-CB 3.58Å; L53-F98 HydrophobicContact CD1-CD1 4.32Å; L53-F98 HydrophobicContact CD1-CD2 4.43Å; L53-F98 HydrophobicContact CD1-CG 3.87Å |
| 54 | L | 91.1 | Very high | 85.5 | Confident | 113 Ų | 113 | 47.2 Ų | 47.2 | 59% | 0.592 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.5 | -41.3 | 176.6 | -69.7 | 177.1 | 0 | 0 | 0 | 112.1 | T50 F51 D52 T57 L58 | T50-L54 VanDerWaalsContact O-CG 3.31Å; T50-L54 WeakPolarHBondContact O-CG 3.25Å; T50-L54 PolarHBondContact O-N 3.37Å; F51-L54 PolarHBondContact O-N 3.46Å; D52-L54 PolarHBondContact O-N 3.34Å; L54-T57 PolarHBondContact O-N 3.33Å; L54-L58 VanDerWaalsContact O-CB 3.27Å; L54-L58 WeakPolarHBondContact O-CB 3.03Å; L54-L58 PolarHBondContact O-N 3.43Å |
| 55 | F | 90.8 | Very high | 85.7 | Confident | 67 Ų | 67 | 48 Ų | 48 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.9 | -43.4 | -178.7 | -166 | -107.3 | 0 | 0 | 0 | 112.5 | F51 D52 L53 T57 L58 L59 I149 L153 | F51-F55 HydrophobicContact CZ-CD2 4.21Å; F51-F55 WeakPolarHBondContact O-CB 3.4Å; F51-F55 PolarHBondContact O-N 2.97Å; D52-F55 PolarHBondContact O-N 3.29Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 2.82Å; F55-T57 VanDerWaalsContact C-N 3.35Å; F55-L58 PolarHBondContact O-N 2.83Å; F55-L59 HydrophobicContact CD1-CD1 3.72Å; F55-L59 HydrophobicContact CD1-CG 4.43Å; F55-L59 HydrophobicContact CE1-CD1 3.56Å; F55-L59 HydrophobicContact CE1-CG 4.33Å; F55-L59 HydrophobicContact CZ-CD1 4.21Å; F55-L59 WeakPolarHBondContact O-CG 3.4Å; F55-L59 PolarHBondContact O-N 2.8Å; F55-I149 HydrophobicContact CD1-CG2 3.79Å; F55-I149 HydrophobicContact CE1-CD1 4.13Å; F55-I149 HydrophobicContact CE1-CG2 3.45Å; F55-I149 VanDerWaalsContact CE1-CG2 3.45Å; F55-L153 HydrophobicContact CB-CD1 4.38Å; F55-L153 HydrophobicContact CD1-CD1 3.51Å; F55-L153 HydrophobicContact CE1-CD1 4.21Å; F55-L153 HydrophobicContact CG-CD1 4.33Å |
| 56 | I | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 174.4 | -61.4 | -57.9 | 0 | 0 | 0 | 110.8 | D52 L58 L59 W60 I90 A94 I149 L153 | D52-I56 WeakPolarHBondContact O-CG1 3.28Å; D52-I56 PolarHBondContact O-N 3.33Å; I56-L58 VanDerWaalsContact C-N 3.33Å; I56-L58 PolarHBondContact O-N 3.08Å; I56-L59 PolarHBondContact O-N 2.84Å; I56-W60 WeakPolarHBondContact O-CB 3.43Å; I56-W60 PolarHBondContact O-N 2.89Å; I56-I90 HydrophobicContact CG2-CG2 4.24Å; I56-A94 HydrophobicContact CB-CB 3.94Å; I56-A94 HydrophobicContact CG1-CB 4.19Å; I56-A94 HydrophobicContact CG2-CB 3.74Å; I56-I149 HydrophobicContact CD1-CG2 4.28Å; I56-L153 HydrophobicContact CD1-CD1 4.01Å; I56-L153 HydrophobicContact CG1-CD1 4.44Å |
| 57 | T | 89.6 | Confident | 85.4 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 17% | 0.172 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | L53 L54 F55 W60 I61 F91 | L53-T57 VanDerWaalsContact O-CB 3.27Å; L53-T57 WeakPolarHBondContact O-CB 3.39Å; L53-T57 PolarHBondContact O-N 3.4Å; L53-T57 PolarHBondContact O-OG1 3.36Å; L54-T57 PolarHBondContact O-N 3.33Å; F55-T57 VanDerWaalsContact C-N 3.35Å; T57-W60 PolarHBondContact O-N 2.97Å; T57-I61 HydrophobicContact CG2-CD1 3.89Å; T57-I61 VanDerWaalsContact O-CG1 3.28Å; T57-I61 WeakPolarHBondContact O-CG1 3.38Å; T57-I61 PolarHBondContact O-N 3.32Å; T57-F91 HydrophobicContact CG2-CD2 4.35Å; T57-F91 HydrophobicContact CG2-CE2 3.87Å; T57-F91 VanDerWaalsContact OG1-CE2 3.3Å; T57-F91 WeakPolarHBondContact OG1-CE2 3.42Å |
| 58 | L | 90.6 | Very high | 84.6 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 48% | 0.482 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 178.6 | -177.6 | 69.9 | 0 | 0 | 0 | 111.3 | L54 F55 I56 W60 I61 I62 | L54-L58 VanDerWaalsContact O-CB 3.27Å; L54-L58 WeakPolarHBondContact O-CB 3.03Å; L54-L58 PolarHBondContact O-N 3.43Å; F55-L58 PolarHBondContact O-N 2.83Å; I56-L58 VanDerWaalsContact C-N 3.33Å; I56-L58 PolarHBondContact O-N 3.08Å; L58-W60 VanDerWaalsContact C-N 3.29Å; L58-W60 PolarHBondContact O-N 3.42Å; L58-I61 PolarHBondContact O-N 3.43Å; L58-I62 HydrophobicContact CD1-CD1 4.25Å; L58-I62 HydrophobicContact CD2-CD1 4.43Å; L58-I62 HydrophobicContact CG-CD1 3.85Å; L58-I62 VanDerWaalsContact O-CG1 3.26Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.29Å |
| 59 | L | 87.9 | Confident | 83.9 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.6 | -74.9 | 171.5 | 0 | 0 | 0 | 112.1 | F55 I56 I62 E63 L146 I149 | F55-L59 HydrophobicContact CD1-CD1 3.72Å; F55-L59 HydrophobicContact CD1-CG 4.43Å; F55-L59 HydrophobicContact CE1-CD1 3.56Å; F55-L59 HydrophobicContact CE1-CG 4.33Å; F55-L59 HydrophobicContact CZ-CD1 4.21Å; F55-L59 WeakPolarHBondContact O-CG 3.4Å; F55-L59 PolarHBondContact O-N 2.8Å; I56-L59 PolarHBondContact O-N 2.84Å; L59-I62 PolarHBondContact O-N 3.45Å; L59-E63 WeakPolarHBondContact O-CB 3.5Å; L59-E63 PolarHBondContact O-N 3.35Å; L59-L146 HydrophobicContact CB-CD1 4.19Å; L59-L146 HydrophobicContact CB-CG 4.32Å; L59-I149 HydrophobicContact CD1-CB 4.07Å; L59-I149 HydrophobicContact CD1-CD1 3.66Å; L59-I149 HydrophobicContact CD1-CG1 4.46Å; L59-I149 HydrophobicContact CD1-CG2 3.62Å; L59-I149 HydrophobicContact CD2-CD1 4.45Å |
| 60 | W | 86.1 | Confident | 83.3 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 174.6 | 178.7 | 55.8 | 0 | 0 | 0 | 112 | I56 T57 L58 I62 E63 L64 L74 E77 F88 F91 L146 | I56-W60 WeakPolarHBondContact O-CB 3.43Å; I56-W60 PolarHBondContact O-N 2.89Å; T57-W60 PolarHBondContact O-N 2.97Å; L58-W60 VanDerWaalsContact C-N 3.29Å; L58-W60 PolarHBondContact O-N 3.42Å; W60-I62 VanDerWaalsContact C-N 3.34Å; W60-I62 PolarHBondContact O-N 3.04Å; W60-E63 PolarHBondContact O-N 2.96Å; W60-L64 HydrophobicContact CD2-CD1 4.13Å; W60-L64 HydrophobicContact CH2-CD1 4.31Å; W60-L64 HydrophobicContact CZ2-CD1 3.87Å; W60-L64 WeakPolarHBondContact O-CG 3.3Å; W60-L64 PolarHBondContact O-N 3.16Å; W60-L74 HydrophobicContact CH2-CD2 3.99Å; W60-L74 HydrophobicContact CZ2-CD2 4.26Å; W60-E77 PolarHBondContact NE1-OE1 2.94Å; W60-F88 HydrophobicContact CZ2-CD2 4.31Å; W60-F91 HydrophobicContact CD2-CB 4.1Å; W60-F91 HydrophobicContact CD2-CG 4.26Å; W60-F91 HydrophobicContact CE3-CB 4.3Å; W60-F91 HydrophobicContact CE3-CD1 4.41Å; W60-F91 AromaticContact CE3-CD2 3.97Å; W60-F91 HydrophobicContact CE3-CD2 3.97Å; W60-F91 HydrophobicContact CE3-CE2 4.44Å; W60-F91 AromaticContact CE3-CG 3.95Å; W60-F91 HydrophobicContact CE3-CG 3.95Å; W60-F91 HydrophobicContact CG-CB 4.26Å; W60-F91 HydrophobicContact CH2-CD1 4.5Å; W60-F91 HydrophobicContact CZ3-CD1 4.24Å; W60-F91 HydrophobicContact CZ3-CD2 4.39Å; W60-F91 HydrophobicContact CZ3-CE1 4.39Å; W60-F91 HydrophobicContact CZ3-CG 4.23Å; W60-L146 HydrophobicContact CB-CD1 4.11Å |
| 61 | I | 84.8 | Confident | 82.3 | Confident | 78 Ų | 78 | 57 Ų | 57 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.6 | -67.4 | 168.3 | 0 | 0 | 0 | 111.9 | T57 L58 L64 N65 | T57-I61 HydrophobicContact CG2-CD1 3.89Å; T57-I61 VanDerWaalsContact O-CG1 3.28Å; T57-I61 WeakPolarHBondContact O-CG1 3.38Å; T57-I61 PolarHBondContact O-N 3.32Å; L58-I61 PolarHBondContact O-N 3.43Å; I61-L64 WeakPolarHBondContact O-CB 3.47Å; I61-L64 PolarHBondContact O-N 2.81Å; I61-N65 WeakPolarHBondContact O-CB 3.48Å; I61-N65 PolarHBondContact O-N 3.07Å |
| 62 | I | 85.6 | Confident | 81.2 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 177.3 | -69.2 | 166.5 | 0 | 0 | 0 | 110.9 | L58 L59 W60 N65 V66 F142 | L58-I62 HydrophobicContact CD1-CD1 4.25Å; L58-I62 HydrophobicContact CD2-CD1 4.43Å; L58-I62 HydrophobicContact CG-CD1 3.85Å; L58-I62 VanDerWaalsContact O-CG1 3.26Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.29Å; L59-I62 PolarHBondContact O-N 3.45Å; W60-I62 VanDerWaalsContact C-N 3.34Å; W60-I62 PolarHBondContact O-N 3.04Å; I62-N65 PolarHBondContact O-N 3.19Å; I62-N65 VanDerWaalsContact O-N 3.16Å; I62-V66 HydrophobicContact CG2-CG2 4.21Å; I62-V66 WeakPolarHBondContact O-CG2 3.35Å; I62-V66 PolarHBondContact O-N 3.02Å; I62-F142 HydrophobicContact CG2-CE1 4Å; I62-F142 HydrophobicContact CG2-CZ 4.46Å |
| 63 | E | 80.5 | Confident | 80.1 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 2% | 0.023 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.4 | -171.6 | -77.5 | 148.4 | 0 | 0 | 111 | L59 W60 N65 V66 N67 F87 L146 | L59-E63 WeakPolarHBondContact O-CB 3.5Å; L59-E63 PolarHBondContact O-N 3.35Å; W60-E63 PolarHBondContact O-N 2.96Å; E63-N65 VanDerWaalsContact C-N 3.26Å; E63-N65 PolarHBondContact O-N 3.42Å; E63-V66 PolarHBondContact O-N 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.29Å; E63-N67 PolarHBondContact O-N 3.12Å; E63-N67 PolarHBondContact OE1-ND2 2.96Å; E63-F87 HydrophobicContact CG-CD2 3.96Å; E63-F87 HydrophobicContact CG-CE2 3.69Å; E63-F87 HydrophobicContact CG-CZ 4.2Å; E63-F87 WeakPolarHBondContact OE1-CE2 3.29Å; E63-F87 VanDerWaalsContact OE2-CD2 3.23Å; E63-F87 WeakPolarHBondContact OE2-CD2 3.42Å; E63-L146 HydrophobicContact CB-CD1 4.28Å |
| 64 | L | 79.1 | Confident | 79.1 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58 | -38.7 | 173.6 | -71 | 173.7 | 0 | 0 | 0 | 112.3 | W60 I61 R73 L74 E77 | W60-L64 HydrophobicContact CD2-CD1 4.13Å; W60-L64 HydrophobicContact CH2-CD1 4.31Å; W60-L64 HydrophobicContact CZ2-CD1 3.87Å; W60-L64 WeakPolarHBondContact O-CG 3.3Å; W60-L64 PolarHBondContact O-N 3.16Å; I61-L64 WeakPolarHBondContact O-CB 3.47Å; I61-L64 PolarHBondContact O-N 2.81Å; L64-R73 HydrophobicContact CD2-CB 3.68Å; L64-L74 HydrophobicContact CD1-CG 4.22Å; L64-E77 WeakPolarHBondContact CD2-OE2 3.25Å |
| 65 | N | 82.9 | Confident | 77.9 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.7 | -46.4 | -178.9 | -173.9 | -99 | 0 | 0 | 0 | 112.7 | I61 I62 E63 N67 G68 | I61-N65 WeakPolarHBondContact O-CB 3.48Å; I61-N65 PolarHBondContact O-N 3.07Å; I62-N65 PolarHBondContact O-N 3.19Å; I62-N65 VanDerWaalsContact O-N 3.16Å; E63-N65 VanDerWaalsContact C-N 3.26Å; E63-N65 PolarHBondContact O-N 3.42Å; N65-N67 PolarHBondContact O-N 2.87Å; N65-G68 PolarHBondContact O-N 3.42Å |
| 66 | V | 78.3 | Confident | 76.7 | Confident | 85 Ų | 85 | 64.6 Ų | 64.6 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64 | -29.6 | -178.9 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | I62 E63 G68 | I62-V66 HydrophobicContact CG2-CG2 4.21Å; I62-V66 WeakPolarHBondContact O-CG2 3.35Å; I62-V66 PolarHBondContact O-N 3.02Å; E63-V66 PolarHBondContact O-N 3.29Å; V66-G68 VanDerWaalsContact C-N 3.31Å; V66-G68 PolarHBondContact O-N 2.97Å |
| 67 | N | 70.5 | Confident | 75.6 | Confident | 52 Ų | 52 | 65 Ų | 65 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 14.7 | -174.4 | -91.1 | 5.5 | 0 | 0 | 0 | 115.6 | E63 N65 R73 | E63-N67 WeakPolarHBondContact O-CB 3.29Å; E63-N67 PolarHBondContact O-N 3.12Å; E63-N67 PolarHBondContact OE1-ND2 2.96Å; N65-N67 PolarHBondContact O-N 2.87Å; N67-R73 VanDerWaalsContact CB-CZ 3.49Å; N67-R73 VanDerWaalsContact ND2-CZ 3.31Å; N67-R73 PolarHBondContact ND2-NH1 2.93Å; N67-R73 PolarHBondContact ND2-NH2 3.21Å |
| 68 | G | 66.3 | Low | 74.6 | Confident | 72 Ų | 72 | 67 Ų | 67 | 74% | 0.742 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | 12.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | N65 V66 | N65-G68 PolarHBondContact O-N 3.42Å; V66-G68 VanDerWaalsContact C-N 3.31Å; V66-G68 PolarHBondContact O-N 2.97Å |
| 69 | G | 68.4 | Low | 73.1 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 27% | 0.268 | 38% | 0.377 | S | S | . | . | trans | 149.6 | 123.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | R73 | G69-R73 PolarHBondContact O-N 2.91Š| ||
| 70 | I | 72.3 | Confident | 71.8 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | -172 | -54.2 | 162.6 | 0 | 0 | 0 | 111.2 | L74 | I70-L74 HydrophobicContact CG2-CD1 3.61Å; I70-L74 VanDerWaalsContact O-CB 3.23Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 PolarHBondContact O-N 3.31Å |
| 71 | E | 65.6 | Low | 70.6 | Confident | 164 Ų | 164 | 79.2 Ų | 79.2 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.4 | -51.6 | -177.6 | -96 | -175.6 | 138.2 | 0 | 0 | 113.6 | R73 L74 D75 | E71-R73 VanDerWaalsContact C-N 3.29Å; E71-R73 PolarHBondContact O-N 3.43Å; E71-L74 PolarHBondContact O-N 3.47Å; E71-D75 PolarHBondContact O-N 2.81Å |
| 72 | T | 65.1 | Low | 69.6 | Low | 95 Ų | 95 | 79.7 Ų | 79.7 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.3 | -25.7 | -172.8 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | K76 | T72-K76 PolarHBondContact O-N 3Å |
| 73 | R | 67.1 | Low | 68.4 | Low | 71 Ų | 71 | 80.3 Ų | 80.3 | 27% | 0.268 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -80.5 | -42.3 | 170 | -75.9 | -134.2 | -178.1 | -151.2 | 8.9 | 112.2 | L64 N67 G69 E71 D75 K76 E77 | L64-R73 HydrophobicContact CD2-CB 3.68Å; N67-R73 VanDerWaalsContact CB-CZ 3.49Å; N67-R73 VanDerWaalsContact ND2-CZ 3.31Å; N67-R73 PolarHBondContact ND2-NH1 2.93Å; N67-R73 PolarHBondContact ND2-NH2 3.21Å; G69-R73 PolarHBondContact O-N 2.91Å; E71-R73 VanDerWaalsContact C-N 3.29Å; E71-R73 PolarHBondContact O-N 3.43Å; R73-D75 VanDerWaalsContact C-N 3.28Å; R73-D75 PolarHBondContact O-N 3.46Å; R73-K76 CarbonylContact O-C 3.57Å; R73-K76 PolarHBondContact O-N 3.31Å; R73-E77 WeakPolarHBondContact O-CA 3.26Å; R73-E77 WeakPolarHBondContact O-CB 3.48Å; R73-E77 PolarHBondContact O-N 2.83Å |
| 74 | L | 68.2 | Low | 67.3 | Low | 59 Ų | 59 | 84 Ų | 84 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.3 | -45.2 | 172.8 | -99.9 | 156.3 | 0 | 0 | 0 | 111.7 | W60 L64 I70 E71 K76 E77 V78 | W60-L74 HydrophobicContact CH2-CD2 3.99Å; W60-L74 HydrophobicContact CZ2-CD2 4.26Å; L64-L74 HydrophobicContact CD1-CG 4.22Å; I70-L74 HydrophobicContact CG2-CD1 3.61Å; I70-L74 VanDerWaalsContact O-CB 3.23Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 PolarHBondContact O-N 3.31Å; E71-L74 PolarHBondContact O-N 3.47Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.76Å; L74-E77 PolarHBondContact O-N 3.36Å; L74-V78 HydrophobicContact CD2-CG2 3.65Å; L74-V78 WeakPolarHBondContact O-CA 3.22Å; L74-V78 VanDerWaalsContact O-CB 3.25Å; L74-V78 WeakPolarHBondContact O-CB 3.33Å; L74-V78 PolarHBondContact O-N 2.99Å |
| 75 | D | 67 | Low | 66.4 | Low | 98 Ų | 98 | 86 Ų | 86 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | I | π-helix | trans | -61.6 | -40.8 | 175.9 | -94.7 | -27.9 | 0 | 0 | 0 | 111.8 | E71 R73 L79 H80 | E71-D75 PolarHBondContact O-N 2.81Å; R73-D75 VanDerWaalsContact C-N 3.28Å; R73-D75 PolarHBondContact O-N 3.46Å; D75-L79 CarbonylContact O-C 3.58Å; D75-L79 VanDerWaalsContact O-CA 3.25Å; D75-L79 WeakPolarHBondContact O-CA 3.35Å; D75-L79 WeakPolarHBondContact O-CB 3.31Å; D75-L79 PolarHBondContact O-N 3.04Å; D75-H80 PolarHBondContact O-N 3.42Å; D75-H80 VanDerWaalsContact O-N 3.08Å |
| 76 | K | 64.6 | Low | 65.8 | Low | 151 Ų | 151 | 81.4 Ų | 81.4 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | I | π-helix | trans | -71.5 | -33.9 | 175.9 | -80.2 | 178.4 | 178.3 | 169.2 | 0 | 113.4 | T72 R73 L74 H80 | T72-K76 PolarHBondContact O-N 3Å; R73-K76 CarbonylContact O-C 3.57Å; R73-K76 PolarHBondContact O-N 3.31Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.76Å; K76-H80 CarbonylContact O-C 3.6Å; K76-H80 WeakPolarHBondContact O-CA 3.31Å; K76-H80 PolarHBondContact O-N 3.44Å |
| 77 | E | 67.7 | Low | 65.6 | Low | 10 Ų | 10 | 77.5 Ų | 77.5 | 5% | 0.047 | 41% | 0.409 | C | S | . | . | I | π-helix | trans | -90.7 | -30.8 | -167.7 | -160.6 | 165.9 | 157.6 | 0 | 0 | 112.3 | W60 L64 R73 L74 S86 F87 F88 | W60-E77 PolarHBondContact NE1-OE1 2.94Å; L64-E77 WeakPolarHBondContact CD2-OE2 3.25Å; R73-E77 WeakPolarHBondContact O-CA 3.26Å; R73-E77 WeakPolarHBondContact O-CB 3.48Å; R73-E77 PolarHBondContact O-N 2.83Å; L74-E77 PolarHBondContact O-N 3.36Å; E77-S86 WeakPolarHBondContact CG-OG 3.1Å; E77-S86 PolarHBondContact O-OG 3.17Å; E77-S86 VanDerWaalsContact O-OG 3.13Å; E77-F87 VanDerWaalsContact OE1-CA 3.3Å; E77-F87 WeakPolarHBondContact OE1-CA 3.49Å; E77-F87 VanDerWaalsContact OE1-CB 3.26Å; E77-F87 WeakPolarHBondContact OE1-CB 3.49Å; E77-F87 PolarHBondContact OE1-N 3.38Å; E77-F88 HydrophobicContact CG-CB 4.34Å; E77-F88 PolarHBondContact OE1-N 3.38Å |
| 78 | V | 68 | Low | 66 | Low | 69 Ų | 69 | 77.3 Ų | 77.3 | 42% | 0.418 | 41% | 0.406 | S | S | . | . | I | π-helix | trans | -101.5 | -42.3 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | L74 F88 | L74-V78 HydrophobicContact CD2-CG2 3.65Å; L74-V78 WeakPolarHBondContact O-CA 3.22Å; L74-V78 VanDerWaalsContact O-CB 3.25Å; L74-V78 WeakPolarHBondContact O-CB 3.33Å; L74-V78 PolarHBondContact O-N 2.99Å; V78-F88 HydrophobicContact CG2-CD2 3.96Å; V78-F88 HydrophobicContact CG2-CE2 4.21Å |
| 79 | L | 59.2 | Low | 66.9 | Low | 130 Ų | 130 | 74.2 Ų | 74.2 | 68% | 0.681 | 37% | 0.373 | S | S | * | . | I | π-helix | trans | -88.8 | -37.6 | -176.2 | -145.9 | 89.1 | 0 | 0 | 0 | 112.9 | D75 | D75-L79 CarbonylContact O-C 3.58Å; D75-L79 VanDerWaalsContact O-CA 3.25Å; D75-L79 WeakPolarHBondContact O-CA 3.35Å; D75-L79 WeakPolarHBondContact O-CB 3.31Å; D75-L79 PolarHBondContact O-N 3.04Å |
| 80 | H | 60.1 | Low | 67.7 | Low | 153 Ų | 153 | 73 Ų | 73 | 71% | 0.708 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -107.7 | 48.4 | 176.2 | -103.6 | 79.1 | 0 | 0 | 0 | 111.9 | D75 K76 D82 | D75-H80 PolarHBondContact O-N 3.42Å; D75-H80 VanDerWaalsContact O-N 3.08Å; K76-H80 CarbonylContact O-C 3.6Å; K76-H80 WeakPolarHBondContact O-CA 3.31Å; K76-H80 PolarHBondContact O-N 3.44Å; H80-D82 PolarHBondContact O-N 3.41Å; H80-D82 VanDerWaalsContact O-N 3.12Å |
| 81 | Y | 62.3 | Low | 68.4 | Low | 105 Ų | 105 | 71.4 Ų | 71.4 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | trans | -49.2 | 116.5 | -173.2 | 176.1 | -96.7 | 0 | 0 | 0 | 113.3 | Y83 F88 D89 | Y81-Y83 WeakPolarHBondContact OH-CD2 3.38Å; Y81-F88 HydrophobicContact CD2-CD1 4.09Å; Y81-F88 AromaticContact CE2-CD1 3.99Å; Y81-F88 HydrophobicContact CE2-CD1 3.99Å; Y81-D89 WeakPolarHBondContact CE2-OD1 3.16Å; Y81-D89 VanDerWaalsContact CZ-OD1 3.25Å; Y81-D89 PolarHBondContact OH-OD1 3.49Å; Y81-D89 PolarHBondContact OH-OD2 3.25Å | ||
| 82 | D | 62 | Low | 69.4 | Low | 88 Ų | 88 | 67.6 Ų | 67.6 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | trans | -118 | 113.5 | 171.2 | -168.4 | -21.3 | 0 | 0 | 0 | 109.5 | H80 H84 A85 S86 | H80-D82 PolarHBondContact O-N 3.41Å; H80-D82 VanDerWaalsContact O-N 3.12Å; D82-H84 PolarHBondContact O-N 3.17Å; D82-H84 PolarHBondContact OD1-N 2.81Å; D82-A85 PolarHBondContact O-N 2.99Å; D82-S86 WeakPolarHBondContact O-CB 3.24Å; D82-S86 PolarHBondContact O-N 3.16Å | ||
| 83 | Y | 60.6 | Low | 70.5 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.3 | -177.2 | -173.8 | -95.3 | 0 | 0 | 0 | 113.2 | Y81 D89 F126 K130 L133 | Y81-Y83 WeakPolarHBondContact OH-CD2 3.38Å; Y83-D89 WeakPolarHBondContact CD2-OD2 3.27Å; Y83-F126 HydrophobicContact CE2-CE2 4.33Å; Y83-F126 HydrophobicContact CE2-CZ 4.32Å; Y83-K130 PolarHBondContact O-NZ 3.3Å; Y83-L133 HydrophobicContact CE1-CD1 4.29Å |
| 84 | H | 57.7 | Low | 71.6 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 38% | 0.384 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -16.4 | -175.9 | -69 | -79.2 | 0 | 0 | 0 | 115 | D82 L133 S134 K135 | D82-H84 PolarHBondContact O-N 3.17Å; D82-H84 PolarHBondContact OD1-N 2.81Å; H84-L133 PolarHBondContact ND1-O 3.03Å; H84-S134 WeakPolarHBondContact O-CA 2.87Å; H84-K135 PolarHBondContact O-N 3.37Å |
| 85 | A | 60.5 | Low | 72.5 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -10.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D82 L136 | D82-A85 PolarHBondContact O-N 2.99Å; A85-L136 VanDerWaalsContact O-CD2 3.26Å; A85-L136 WeakPolarHBondContact O-CD2 3.46Å |
| 86 | S | 69.8 | Low | 73.6 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | trans | -94.7 | 131 | -177.9 | 177.1 | 0 | 0 | 0 | 0 | 112.6 | E77 D82 F88 K130 | E77-S86 WeakPolarHBondContact CG-OG 3.1Å; E77-S86 PolarHBondContact O-OG 3.17Å; E77-S86 VanDerWaalsContact O-OG 3.13Å; D82-S86 WeakPolarHBondContact O-CB 3.24Å; D82-S86 PolarHBondContact O-N 3.16Å; S86-F88 VanDerWaalsContact C-N 3.27Å; S86-F88 WeakPolarHBondContact OG-CB 3.33Å; S86-F88 PolarHBondContact OG-N 2.8Å; S86-K130 PolarHBondContact O-NZ 2.92Å | ||
| 87 | F | 74.3 | Confident | 74.6 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -82 | -5.8 | 170.5 | -63.6 | -77.4 | 0 | 0 | 0 | 112.6 | E63 E77 D89 I90 F91 L136 L146 | E63-F87 HydrophobicContact CG-CD2 3.96Å; E63-F87 HydrophobicContact CG-CE2 3.69Å; E63-F87 HydrophobicContact CG-CZ 4.2Å; E63-F87 WeakPolarHBondContact OE1-CE2 3.29Å; E63-F87 VanDerWaalsContact OE2-CD2 3.23Å; E63-F87 WeakPolarHBondContact OE2-CD2 3.42Å; E77-F87 VanDerWaalsContact OE1-CA 3.3Å; E77-F87 WeakPolarHBondContact OE1-CA 3.49Å; E77-F87 VanDerWaalsContact OE1-CB 3.26Å; E77-F87 WeakPolarHBondContact OE1-CB 3.49Å; E77-F87 PolarHBondContact OE1-N 3.38Å; F87-D89 PolarHBondContact O-N 2.98Å; F87-D89 VanDerWaalsContact O-N 3.15Å; F87-I90 HydrophobicContact CD1-CD1 4.19Å; F87-I90 PolarHBondContact O-N 2.9Å; F87-F91 PolarHBondContact O-N 3.49Å; F87-L136 HydrophobicContact CD1-CD1 3.98Å; F87-L136 HydrophobicContact CD2-CD1 4.46Å; F87-L136 HydrophobicContact CD2-CD2 4.21Å; F87-L136 HydrophobicContact CE1-CB 4.3Å; F87-L136 HydrophobicContact CE1-CD1 3.77Å; F87-L136 HydrophobicContact CE1-CD2 4.12Å; F87-L136 HydrophobicContact CE1-CG 4.27Å; F87-L136 HydrophobicContact CE2-CD1 4.23Å; F87-L136 HydrophobicContact CE2-CD2 3.39Å; F87-L136 HydrophobicContact CE2-CG 4.34Å; F87-L136 HydrophobicContact CG-CD1 4.34Å; F87-L136 HydrophobicContact CZ-CB 4.11Å; F87-L136 HydrophobicContact CZ-CD1 3.9Å; F87-L136 HydrophobicContact CZ-CD2 3.36Å; F87-L136 HydrophobicContact CZ-CG 3.97Å; F87-L146 HydrophobicContact CB-CD2 4.45Å; F87-L146 HydrophobicContact CD1-CB 4.47Å; F87-L146 HydrophobicContact CD1-CD1 4.34Å; F87-L146 HydrophobicContact CD1-CD2 3.96Å; F87-L146 HydrophobicContact CG-CD1 4.49Å |
| 88 | F | 79.7 | Confident | 75.6 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52.6 | -36 | 175.7 | -178.2 | -110.4 | 0 | 0 | 0 | 112.6 | W60 E77 V78 Y81 S86 I90 F91 L92 | W60-F88 HydrophobicContact CZ2-CD2 4.31Å; E77-F88 HydrophobicContact CG-CB 4.34Å; E77-F88 PolarHBondContact OE1-N 3.38Å; V78-F88 HydrophobicContact CG2-CD2 3.96Å; V78-F88 HydrophobicContact CG2-CE2 4.21Å; Y81-F88 HydrophobicContact CD2-CD1 4.09Å; Y81-F88 AromaticContact CE2-CD1 3.99Å; Y81-F88 HydrophobicContact CE2-CD1 3.99Å; S86-F88 VanDerWaalsContact C-N 3.27Å; S86-F88 WeakPolarHBondContact OG-CB 3.33Å; S86-F88 PolarHBondContact OG-N 2.8Å; F88-I90 VanDerWaalsContact C-N 3.28Å; F88-I90 PolarHBondContact O-N 3.43Å; F88-F91 HydrophobicContact CD2-CD1 4.26Å; F88-F91 HydrophobicContact CE2-CD1 4.18Å; F88-F91 PolarHBondContact O-N 2.82Å; F88-L92 HydrophobicContact CE1-CB 4.43Å; F88-L92 HydrophobicContact CE1-CD2 4.18Å; F88-L92 VanDerWaalsContact O-CB 3.28Å; F88-L92 WeakPolarHBondContact O-CB 3.27Å; F88-L92 PolarHBondContact O-N 3.45Å |
| 89 | D | 84.4 | Confident | 76.5 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 178.4 | -71.6 | -25.2 | 0 | 0 | 0 | 113.6 | Y81 Y83 F87 L93 F126 K130 | Y81-D89 WeakPolarHBondContact CE2-OD1 3.16Å; Y81-D89 VanDerWaalsContact CZ-OD1 3.25Å; Y81-D89 PolarHBondContact OH-OD1 3.49Å; Y81-D89 PolarHBondContact OH-OD2 3.25Å; Y83-D89 WeakPolarHBondContact CD2-OD2 3.27Å; F87-D89 PolarHBondContact O-N 2.98Å; F87-D89 VanDerWaalsContact O-N 3.15Å; D89-L93 WeakPolarHBondContact O-CB 3.37Å; D89-L93 PolarHBondContact O-N 3.22Å; D89-F126 HydrophobicContact CB-CE1 4.22Å; D89-F126 HydrophobicContact CB-CZ 4.18Å; D89-K130 HydrophobicContact CB-CD 4.14Å; D89-K130 IonicContact OD2-NZ 3.67Å; D89-K130 PolarHBondContact OD2-NZ 3.34Å |
| 90 | I | 85.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.8 | -39 | -179.6 | -60 | 170.8 | 0 | 0 | 0 | 109.6 | I56 F87 F88 L93 A94 L127 K130 L146 P147 S150 | I56-I90 HydrophobicContact CG2-CG2 4.24Å; F87-I90 HydrophobicContact CD1-CD1 4.19Å; F87-I90 PolarHBondContact O-N 2.9Å; F88-I90 VanDerWaalsContact C-N 3.28Å; F88-I90 PolarHBondContact O-N 3.43Å; I90-L93 PolarHBondContact O-N 3.41Å; I90-A94 PolarHBondContact O-N 2.84Å; I90-L127 HydrophobicContact CG1-CD2 4.42Å; I90-L127 HydrophobicContact CG2-CD2 4.44Å; I90-K130 HydrophobicContact CG1-CG 4.48Å; I90-L146 HydrophobicContact CB-CD2 3.72Å; I90-L146 HydrophobicContact CD1-CD2 3.55Å; I90-L146 HydrophobicContact CG1-CD2 4.23Å; I90-L146 HydrophobicContact CG2-CD2 3.54Å; I90-P147 HydrophobicContact CD1-CB 4.09Å; I90-P147 HydrophobicContact CD1-CG 3.8Å; I90-S150 WeakPolarHBondContact CG2-OG 3.49Å |
| 91 | F | 86.6 | Confident | 78.8 | Confident | 44 Ų | 44 | 43.5 Ų | 43.5 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 170.8 | 169.5 | -103.1 | 0 | 0 | 0 | 111.6 | T57 W60 F87 F88 L93 A94 V95 | T57-F91 HydrophobicContact CG2-CD2 4.35Å; T57-F91 HydrophobicContact CG2-CE2 3.87Å; T57-F91 VanDerWaalsContact OG1-CE2 3.3Å; T57-F91 WeakPolarHBondContact OG1-CE2 3.42Å; W60-F91 HydrophobicContact CD2-CB 4.1Å; W60-F91 HydrophobicContact CD2-CG 4.26Å; W60-F91 HydrophobicContact CE3-CB 4.3Å; W60-F91 HydrophobicContact CE3-CD1 4.41Å; W60-F91 AromaticContact CE3-CD2 3.97Å; W60-F91 HydrophobicContact CE3-CD2 3.97Å; W60-F91 HydrophobicContact CE3-CE2 4.44Å; W60-F91 AromaticContact CE3-CG 3.95Å; W60-F91 HydrophobicContact CE3-CG 3.95Å; W60-F91 HydrophobicContact CG-CB 4.26Å; W60-F91 HydrophobicContact CH2-CD1 4.5Å; W60-F91 HydrophobicContact CZ3-CD1 4.24Å; W60-F91 HydrophobicContact CZ3-CD2 4.39Å; W60-F91 HydrophobicContact CZ3-CE1 4.39Å; W60-F91 HydrophobicContact CZ3-CG 4.23Å; F87-F91 PolarHBondContact O-N 3.49Å; F88-F91 HydrophobicContact CD2-CD1 4.26Å; F88-F91 HydrophobicContact CE2-CD1 4.18Å; F88-F91 PolarHBondContact O-N 2.82Å; F91-L93 VanDerWaalsContact C-N 3.27Å; F91-L93 PolarHBondContact O-N 2.85Å; F91-A94 WeakPolarHBondContact O-CB 3.23Å; F91-A94 PolarHBondContact O-N 3.46Å; F91-A94 VanDerWaalsContact O-N 3.08Å; F91-V95 HydrophobicContact CE1-CG2 4.08Å; F91-V95 HydrophobicContact CE2-CG2 4.07Å; F91-V95 HydrophobicContact CZ-CG2 3.81Å; F91-V95 WeakPolarHBondContact O-CG2 3.27Å; F91-V95 PolarHBondContact O-N 3.47Å |
| 92 | L | 87.5 | Confident | 79.8 | Confident | 85 Ų | 85 | 41.3 Ų | 41.3 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 176.9 | -176.1 | 66.4 | 0 | 0 | 0 | 111.2 | F88 V95 L96 | F88-L92 HydrophobicContact CE1-CB 4.43Å; F88-L92 HydrophobicContact CE1-CD2 4.18Å; F88-L92 VanDerWaalsContact O-CB 3.28Å; F88-L92 WeakPolarHBondContact O-CB 3.27Å; F88-L92 PolarHBondContact O-N 3.45Å; L92-V95 PolarHBondContact O-N 3.31Å; L92-L96 WeakPolarHBondContact O-CB 3.28Å; L92-L96 PolarHBondContact O-N 3.45Å |
| 93 | L | 88.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 174.6 | -170 | 75.9 | 0 | 0 | 0 | 111.8 | D89 I90 F91 L96 R97 T123 F126 L127 | D89-L93 WeakPolarHBondContact O-CB 3.37Å; D89-L93 PolarHBondContact O-N 3.22Å; I90-L93 PolarHBondContact O-N 3.41Å; F91-L93 VanDerWaalsContact C-N 3.27Å; F91-L93 PolarHBondContact O-N 2.85Å; L93-L96 HydrophobicContact CD1-CD2 4.42Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-R97 VanDerWaalsContact O-CB 3.26Å; L93-R97 WeakPolarHBondContact O-CB 3.35Å; L93-R97 PolarHBondContact O-N 3.42Å; L93-T123 HydrophobicContact CD1-CG2 3.92Å; L93-T123 HydrophobicContact CG-CG2 4.36Å; L93-F126 HydrophobicContact CB-CE1 4.46Å; L93-F126 HydrophobicContact CD1-CB 4.36Å; L93-F126 HydrophobicContact CD1-CD1 3.62Å; L93-F126 HydrophobicContact CD1-CE1 4.15Å; L93-F126 HydrophobicContact CD1-CG 4.13Å; L93-F126 HydrophobicContact CD2-CD1 3.77Å; L93-F126 HydrophobicContact CD2-CE1 4.39Å; L93-F126 HydrophobicContact CG-CD1 4.18Å; L93-L127 HydrophobicContact CD2-CD1 4.12Å; L93-L127 HydrophobicContact CD2-CD2 3.46Å; L93-L127 VanDerWaalsContact CD2-CD2 3.46Å; L93-L127 HydrophobicContact CD2-CG 3.44Å; L93-L127 VanDerWaalsContact CD2-CG 3.44Å |
| 94 | A | 88.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I56 I90 F91 R97 F98 | I56-A94 HydrophobicContact CB-CB 3.94Å; I56-A94 HydrophobicContact CG1-CB 4.19Å; I56-A94 HydrophobicContact CG2-CB 3.74Å; I90-A94 PolarHBondContact O-N 2.84Å; F91-A94 WeakPolarHBondContact O-CB 3.23Å; F91-A94 PolarHBondContact O-N 3.46Å; F91-A94 VanDerWaalsContact O-N 3.08Å; A94-R97 PolarHBondContact O-N 2.9Å; A94-F98 WeakPolarHBondContact O-CB 3.38Å; A94-F98 PolarHBondContact O-N 3.35Å |
| 95 | V | 88.9 | Confident | 82.2 | Confident | 56 Ų | 56 | 38.6 Ų | 38.6 | 34% | 0.339 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63 | -45.2 | 173.2 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L53 F91 L92 R97 F98 A99 | L53-V95 HydrophobicContact CD1-CB 4.34Å; L53-V95 HydrophobicContact CD1-CG2 3.94Å; F91-V95 HydrophobicContact CE1-CG2 4.08Å; F91-V95 HydrophobicContact CE2-CG2 4.07Å; F91-V95 HydrophobicContact CZ-CG2 3.81Å; F91-V95 WeakPolarHBondContact O-CG2 3.27Å; F91-V95 PolarHBondContact O-N 3.47Å; L92-V95 PolarHBondContact O-N 3.31Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 3.37Å; V95-F98 PolarHBondContact O-N 2.62Å; V95-A99 WeakPolarHBondContact O-CB 3.47Å; V95-A99 PolarHBondContact O-N 2.94Å |
| 96 | L | 88.6 | Confident | 82.7 | Confident | 106 Ų | 106 | 40 Ų | 40 | 56% | 0.555 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.1 | -42.4 | 176.7 | -178.7 | 71.2 | 0 | 0 | 0 | 110.9 | L92 L93 A99 A100 | L92-L96 WeakPolarHBondContact O-CB 3.28Å; L92-L96 PolarHBondContact O-N 3.45Å; L93-L96 HydrophobicContact CD1-CD2 4.42Å; L93-L96 PolarHBondContact O-N 3.48Å; L96-A99 PolarHBondContact O-N 3.26Å; L96-A100 VanDerWaalsContact O-CB 3.28Å; L96-A100 WeakPolarHBondContact O-CB 3.22Å; L96-A100 PolarHBondContact O-N 2.94Å |
| 97 | R | 87 | Confident | 82.7 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 178.1 | -166.2 | 174.6 | 89.7 | -162 | 16.1 | 110.9 | D52 L93 A94 V95 A99 A100 L101 T123 S150 A154 E157 | D52-R97 IonicContact OD1-CZ 2.94Å; D52-R97 IonicContact OD1-NH1 2.77Å; D52-R97 IonicContact OD1-NH2 3.25Å; D52-R97 PolarHBondContact OD1-NH2 3.02Å; D52-R97 IonicContact OD2-CZ 3.17Å; D52-R97 VanDerWaalsContact OD2-CZ 3.25Å; D52-R97 IonicContact OD2-NE 2.68Å; D52-R97 IonicContact OD2-NH1 3.58Å; D52-R97 IonicContact OD2-NH2 3.62Å; D52-R97 PolarHBondContact OD2-NH2 3.3Å; L93-R97 VanDerWaalsContact O-CB 3.26Å; L93-R97 WeakPolarHBondContact O-CB 3.35Å; L93-R97 PolarHBondContact O-N 3.42Å; A94-R97 PolarHBondContact O-N 2.9Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 3.37Å; R97-A99 VanDerWaalsContact C-N 3.33Å; R97-A99 PolarHBondContact O-N 3.4Å; R97-A100 PolarHBondContact O-N 2.94Å; R97-L101 HydrophobicContact CG-CD1 4.15Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.26Å; R97-L101 PolarHBondContact O-N 2.77Å; R97-T123 HydrophobicContact CB-CG2 4.47Å; R97-S150 PolarHBondContact NH1-O 3.21Å; R97-A154 VanDerWaalsContact NH1-CB 3.33Å; R97-E157 IonicContact CZ-OE1 2.63Å; R97-E157 IonicContact CZ-OE2 3.73Å; R97-E157 IonicContact NE-OE1 2.84Å; R97-E157 IonicContact NE-OE2 2.68Å; R97-E157 PolarHBondContact NE-OE2 3.33Å; R97-E157 IonicContact NH2-OE1 2.69Å; R97-E157 PolarHBondContact NH2-OE1 3.1Å; R97-E157 IonicContact NH2-OE2 3.79Å; R97-E157 PolarHBondContact NH2-OE2 2.84Å |
| 98 | F | 88.6 | Confident | 82.2 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 26% | 0.263 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.5 | -50.6 | 172.7 | 176.5 | -97.5 | 0 | 0 | 0 | 111.3 | V49 T50 L53 A94 V95 A100 L101 I102 | V49-F98 HydrophobicContact CG1-CD2 3.45Å; V49-F98 VanDerWaalsContact CG1-CD2 3.45Å; V49-F98 HydrophobicContact CG1-CE2 3.89Å; V49-F98 HydrophobicContact CG1-CG 4.41Å; T50-F98 HydrophobicContact CG2-CE2 3.66Å; T50-F98 HydrophobicContact CG2-CZ 4.27Å; L53-F98 HydrophobicContact CB-CD2 4.38Å; L53-F98 HydrophobicContact CD1-CB 3.58Å; L53-F98 HydrophobicContact CD1-CD1 4.32Å; L53-F98 HydrophobicContact CD1-CD2 4.43Å; L53-F98 HydrophobicContact CD1-CG 3.87Å; A94-F98 WeakPolarHBondContact O-CB 3.38Å; A94-F98 PolarHBondContact O-N 3.35Å; V95-F98 PolarHBondContact O-N 2.62Å; F98-A100 PolarHBondContact O-N 2.69Å; F98-L101 PolarHBondContact O-N 2.84Å; F98-I102 HydrophobicContact CD1-CG1 4.44Å; F98-I102 HydrophobicContact CD2-CG1 4.46Å; F98-I102 HydrophobicContact CE1-CG1 4.07Å; F98-I102 HydrophobicContact CE2-CD1 4.29Å; F98-I102 HydrophobicContact CE2-CG1 4.04Å; F98-I102 HydrophobicContact CZ-CD1 4.27Å; F98-I102 HydrophobicContact CZ-CG1 3.84Å; F98-I102 VanDerWaalsContact O-CG1 3.27Å; F98-I102 WeakPolarHBondContact O-CG1 3.42Å; F98-I102 PolarHBondContact O-N 3.48Å |
| 99 | A | 87.3 | Confident | 81.3 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V95 L96 R97 L101 I102 L103 | V95-A99 WeakPolarHBondContact O-CB 3.47Å; V95-A99 PolarHBondContact O-N 2.94Å; L96-A99 PolarHBondContact O-N 3.26Å; R97-A99 VanDerWaalsContact C-N 3.33Å; R97-A99 PolarHBondContact O-N 3.4Å; A99-L101 PolarHBondContact O-N 2.68Å; A99-I102 PolarHBondContact O-N 2.94Å; A99-L103 WeakPolarHBondContact O-CB 3.36Å; A99-L103 PolarHBondContact O-N 2.84Å |
| 100 | A | 84.1 | Confident | 79.8 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L96 R97 F98 L103 A104 T119 | L96-A100 VanDerWaalsContact O-CB 3.28Å; L96-A100 WeakPolarHBondContact O-CB 3.22Å; L96-A100 PolarHBondContact O-N 2.94Å; R97-A100 PolarHBondContact O-N 2.94Å; F98-A100 PolarHBondContact O-N 2.69Å; A100-L103 PolarHBondContact O-N 2.94Å; A100-A104 VanDerWaalsContact O-CB 3.23Å; A100-A104 WeakPolarHBondContact O-CB 2.93Å; A100-A104 PolarHBondContact O-N 3.24Å; A100-T119 HydrophobicContact CB-CG2 4.21Å |
| 101 | L | 83.6 | Confident | 78.5 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.9 | -42.5 | 177.7 | -71.8 | 176.4 | 0 | 0 | 0 | 112.1 | F45 V49 R97 F98 A99 L103 A104 Y105 E157 L161 | F45-L101 HydrophobicContact CZ-CB 4.25Å; V49-L101 HydrophobicContact CG1-CB 4.2Å; V49-L101 HydrophobicContact CG1-CD1 4.05Å; V49-L101 HydrophobicContact CG2-CB 4.47Å; V49-L101 HydrophobicContact CG2-CD1 3.73Å; R97-L101 HydrophobicContact CG-CD1 4.15Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.26Å; R97-L101 PolarHBondContact O-N 2.77Å; F98-L101 PolarHBondContact O-N 2.84Å; A99-L101 PolarHBondContact O-N 2.68Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-A104 PolarHBondContact O-N 2.95Å; L101-Y105 VanDerWaalsContact O-CB 3.28Å; L101-Y105 WeakPolarHBondContact O-CB 3.4Å; L101-Y105 PolarHBondContact O-N 2.8Å; L101-E157 WeakPolarHBondContact CD1-OE2 3.26Å; L101-L161 HydrophobicContact CD2-CD1 3.53Å |
| 102 | I | 82.3 | Confident | 77.5 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 173.5 | -63.6 | -62.3 | 0 | 0 | 0 | 110.9 | F98 A99 Y105 A106 | F98-I102 HydrophobicContact CD1-CG1 4.44Å; F98-I102 HydrophobicContact CD2-CG1 4.46Å; F98-I102 HydrophobicContact CE1-CG1 4.07Å; F98-I102 HydrophobicContact CE2-CD1 4.29Å; F98-I102 HydrophobicContact CE2-CG1 4.04Å; F98-I102 HydrophobicContact CZ-CD1 4.27Å; F98-I102 HydrophobicContact CZ-CG1 3.84Å; F98-I102 VanDerWaalsContact O-CG1 3.27Å; F98-I102 WeakPolarHBondContact O-CG1 3.42Å; F98-I102 PolarHBondContact O-N 3.48Å; A99-I102 PolarHBondContact O-N 2.94Å; I102-Y105 WeakPolarHBondContact O-CB 3.08Å; I102-Y105 PolarHBondContact O-N 3.4Å; I102-A106 VanDerWaalsContact O-CB 3.29Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 3.1Å |
| 103 | L | 81.6 | Confident | 76.6 | Confident | 106 Ų | 106 | 67.2 Ų | 67.2 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.9 | -43.6 | 177.1 | -172.5 | 70.4 | 0 | 0 | 0 | 111.7 | A99 A100 L101 Y105 A106 V107 | A99-L103 WeakPolarHBondContact O-CB 3.36Å; A99-L103 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.94Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L103-Y105 PolarHBondContact O-N 3.36Å; L103-A106 PolarHBondContact O-N 3.48Å; L103-V107 HydrophobicContact CD1-CB 4.35Å; L103-V107 HydrophobicContact CD1-CG2 3.51Å; L103-V107 HydrophobicContact CG-CG2 4.23Å; L103-V107 WeakPolarHBondContact O-CB 3.49Å; L103-V107 PolarHBondContact O-N 3.29Å |
| 104 | A | 75.5 | Confident | 75.8 | Confident | 13 Ų | 13 | 75 Ų | 75 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A100 L101 C108 I116 | A100-A104 VanDerWaalsContact O-CB 3.23Å; A100-A104 WeakPolarHBondContact O-CB 2.93Å; A100-A104 PolarHBondContact O-N 3.24Å; L101-A104 PolarHBondContact O-N 2.95Å; A104-C108 WeakPolarHBondContact O-CA 3.43Å; A104-C108 VanDerWaalsContact O-CB 3.27Å; A104-C108 WeakPolarHBondContact O-CB 3.26Å; A104-C108 PolarHBondContact O-N 3.02Å; A104-I116 HydrophobicContact CB-CG1 4.31Å |
| 105 | Y | 72.9 | Confident | 75.1 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 28% | 0.275 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 174.3 | 176.1 | -96.4 | 0 | 0 | 0 | 113.1 | R42 F45 L101 I102 L103 L110 | R42-Y105 HydrophobicContact CB-CE2 4.33Å; R42-Y105 WeakPolarHBondContact CD-OH 3.47Å; R42-Y105 HydrophobicContact CG-CE2 3.97Å; R42-Y105 VanDerWaalsContact CZ-CE2 3.47Å; R42-Y105 PolarHBondContact NE-OH 3.35Å; R42-Y105 PolarHBondContact NH1-OH 3.2Å; R42-Y105 VanDerWaalsContact NH2-CE2 3.34Å; R42-Y105 PolarHBondContact NH2-OH 3.11Å; F45-Y105 HydrophobicContact CD1-CD2 4.38Å; F45-Y105 HydrophobicContact CE1-CD2 4.25Å; L101-Y105 VanDerWaalsContact O-CB 3.28Å; L101-Y105 WeakPolarHBondContact O-CB 3.4Å; L101-Y105 PolarHBondContact O-N 2.8Å; I102-Y105 WeakPolarHBondContact O-CB 3.08Å; I102-Y105 PolarHBondContact O-N 3.4Å; L103-Y105 PolarHBondContact O-N 3.36Å; Y105-L110 HydrophobicContact CD2-CD1 4.31Å |
| 106 | A | 72.5 | Confident | 74.5 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -77.7 | -41.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I102 L103 | I102-A106 VanDerWaalsContact O-CB 3.29Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 3.48Å |
| 107 | V | 69.5 | Low | 74.1 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -100.6 | -40.7 | -170.6 | 178.4 | 0 | 0 | 0 | 0 | 112 | L103 | L103-V107 HydrophobicContact CD1-CB 4.35Å; L103-V107 HydrophobicContact CD1-CG2 3.51Å; L103-V107 HydrophobicContact CG-CG2 4.23Å; L103-V107 WeakPolarHBondContact O-CB 3.49Å; L103-V107 PolarHBondContact O-N 3.29Å |
| 108 | C | 63.3 | Low | 73.8 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -88.3 | -5.8 | -173.4 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | A104 L110 R111 | A104-C108 WeakPolarHBondContact O-CA 3.43Å; A104-C108 VanDerWaalsContact O-CB 3.27Å; A104-C108 WeakPolarHBondContact O-CB 3.26Å; A104-C108 PolarHBondContact O-N 3.02Å; C108-L110 PolarHBondContact O-N 3.31Å; C108-R111 PolarHBondContact O-N 2.84Å |
| 109 | K | 60.7 | Low | 73.5 | Confident | 144 Ų | 144 | 74 Ų | 74 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.6 | 45.4 | 179.4 | -154.7 | -161.7 | 179 | -160 | 0 | 111.8 | R111 | K109-R111 PolarHBondContact O-N 3.46Š|
| 110 | L | 53.9 | Low | 73.3 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 6.6 | -176.9 | -65.9 | 110.4 | 0 | 0 | 0 | 117.7 | Y105 C108 H112 I116 V165 L166 E169 | Y105-L110 HydrophobicContact CD2-CD1 4.31Å; C108-L110 PolarHBondContact O-N 3.31Å; L110-H112 VanDerWaalsContact C-N 3.25Å; L110-H112 PolarHBondContact O-N 3.32Å; L110-I116 HydrophobicContact CD2-CD1 4.46Å; L110-V165 HydrophobicContact CD2-CG1 4.02Å; L110-L166 HydrophobicContact CD2-CD2 4.25Å; L110-E169 WeakPolarHBondContact CD1-OE2 3.27Å; L110-E169 WeakPolarHBondContact CG-OE2 3.27Å |
| 111 | R | 56.9 | Low | 73.3 | Confident | 197 Ų | 197 | 73.9 Ų | 73.9 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | trans | -72.4 | -17.3 | -171.7 | -165.3 | 160.1 | 63.8 | 102.4 | 1.6 | 113.9 | C108 K109 | C108-R111 PolarHBondContact O-N 2.84Å; K109-R111 PolarHBondContact O-N 3.46Å | ||
| 112 | H | 65.6 | Low | 73.4 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | trans | -123.1 | 89.7 | 175.9 | -65.1 | -56.5 | 0 | 0 | 0 | 110.3 | L110 W114 A115 | L110-H112 VanDerWaalsContact C-N 3.25Å; L110-H112 PolarHBondContact O-N 3.32Å; H112-W114 PolarHBondContact O-N 3.18Å; H112-W114 VanDerWaalsContact O-N 3.1Å; H112-A115 HydrophobicContact CB-CB 4.5Å; H112-A115 WeakPolarHBondContact O-CB 3.31Å; H112-A115 PolarHBondContact O-N 2.84Å | ||
| 113 | W | 68.8 | Low | 73.6 | Confident | 133 Ų | 133 | 75.4 Ų | 75.4 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -47 | -36.6 | 171.8 | -177.8 | 58 | 0 | 0 | 0 | 113.2 | A115 I116 A117 D162 | W113-A115 VanDerWaalsContact C-N 3.3Å; W113-A115 PolarHBondContact O-N 3.26Å; W113-I116 PolarHBondContact O-N 2.94Å; W113-A117 PolarHBondContact O-N 2.9Å; W113-D162 VanDerWaalsContact CE2-OD1 3.23Å; W113-D162 VanDerWaalsContact CZ2-OD1 3.27Å; W113-D162 WeakPolarHBondContact CZ2-OD1 3.32Å; W113-D162 PolarHBondContact NE1-OD1 3.45Å |
| 114 | W | 72.5 | Confident | 73.7 | Confident | 178 Ų | 178 | 71.2 Ų | 71.2 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64 | -28 | -179.5 | -118.4 | 65.3 | 0 | 0 | 0 | 114.5 | H112 A117 I118 | H112-W114 PolarHBondContact O-N 3.18Å; H112-W114 VanDerWaalsContact O-N 3.1Å; W114-A117 PolarHBondContact O-N 2.86Å; W114-I118 HydrophobicContact CD2-CD1 4.45Å; W114-I118 HydrophobicContact CE3-CD1 3.4Å; W114-I118 VanDerWaalsContact CE3-CD1 3.4Å; W114-I118 HydrophobicContact CE3-CG1 3.85Å; W114-I118 HydrophobicContact CZ3-CD1 3.78Å; W114-I118 HydrophobicContact CZ3-CG1 4.06Å; W114-I118 WeakPolarHBondContact O-CD1 3.45Å; W114-I118 VanDerWaalsContact O-CG1 3.25Å; W114-I118 WeakPolarHBondContact O-CG1 3.29Å; W114-I118 PolarHBondContact O-N 2.96Å |
| 115 | A | 73.8 | Confident | 74.4 | Confident | 32 Ų | 32 | 73.4 Ų | 73.4 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | H112 W113 I118 T119 | H112-A115 HydrophobicContact CB-CB 4.5Å; H112-A115 WeakPolarHBondContact O-CB 3.31Å; H112-A115 PolarHBondContact O-N 2.84Å; W113-A115 VanDerWaalsContact C-N 3.3Å; W113-A115 PolarHBondContact O-N 3.26Å; A115-I118 PolarHBondContact O-N 3.38Å; A115-T119 WeakPolarHBondContact O-CG2 3.33Å; A115-T119 PolarHBondContact O-N 3.28Å; A115-T119 PolarHBondContact O-OG1 2.99Å; A115-T119 VanDerWaalsContact O-OG1 3.12Å |
| 116 | I | 75.3 | Confident | 75 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 177.4 | -60.2 | 165.7 | 0 | 0 | 0 | 109.1 | A104 L110 W113 I118 T119 T120 L161 | A104-I116 HydrophobicContact CB-CG1 4.31Å; L110-I116 HydrophobicContact CD2-CD1 4.46Å; W113-I116 PolarHBondContact O-N 2.94Å; I116-I118 VanDerWaalsContact C-N 3.34Å; I116-I118 PolarHBondContact O-N 2.9Å; I116-T119 WeakPolarHBondContact CA-OG1 3.31Å; I116-T119 PolarHBondContact O-N 3.35Å; I116-T119 PolarHBondContact O-OG1 2.98Å; I116-T120 PolarHBondContact O-N 3.01Å; I116-T120 PolarHBondContact O-OG1 2.76Å; I116-L161 HydrophobicContact CG2-CD1 3.91Å |
| 117 | A | 80.2 | Confident | 75.6 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W113 W114 T120 A121 | W113-A117 PolarHBondContact O-N 2.9Å; W114-A117 PolarHBondContact O-N 2.86Å; A117-T120 PolarHBondContact O-N 2.93Å; A117-A121 VanDerWaalsContact O-CB 3.22Å; A117-A121 WeakPolarHBondContact O-CB 3.36Å; A117-A121 PolarHBondContact O-N 2.96Å |
| 118 | I | 81.4 | Confident | 76.4 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 177 | -69.8 | 162.2 | 0 | 0 | 0 | 111.2 | W114 A115 I116 T120 A121 T122 | W114-I118 HydrophobicContact CD2-CD1 4.45Å; W114-I118 HydrophobicContact CE3-CD1 3.4Å; W114-I118 VanDerWaalsContact CE3-CD1 3.4Å; W114-I118 HydrophobicContact CE3-CG1 3.85Å; W114-I118 HydrophobicContact CZ3-CD1 3.78Å; W114-I118 HydrophobicContact CZ3-CG1 4.06Å; W114-I118 WeakPolarHBondContact O-CD1 3.45Å; W114-I118 VanDerWaalsContact O-CG1 3.25Å; W114-I118 WeakPolarHBondContact O-CG1 3.29Å; W114-I118 PolarHBondContact O-N 2.96Å; A115-I118 PolarHBondContact O-N 3.38Å; I116-I118 VanDerWaalsContact C-N 3.34Å; I116-I118 PolarHBondContact O-N 2.9Å; I118-T120 VanDerWaalsContact C-N 3.33Å; I118-T120 PolarHBondContact O-N 3.44Å; I118-A121 PolarHBondContact O-N 3.05Å; I118-T122 WeakPolarHBondContact O-CB 2.83Å; I118-T122 PolarHBondContact O-N 3.35Å; I118-T122 PolarHBondContact O-OG1 3.38Å |
| 119 | T | 81.6 | Confident | 77.3 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 179.7 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | A100 A115 I116 T123 | A100-T119 HydrophobicContact CB-CG2 4.21Å; A115-T119 WeakPolarHBondContact O-CG2 3.33Å; A115-T119 PolarHBondContact O-N 3.28Å; A115-T119 PolarHBondContact O-OG1 2.99Å; A115-T119 VanDerWaalsContact O-OG1 3.12Å; I116-T119 WeakPolarHBondContact CA-OG1 3.31Å; I116-T119 PolarHBondContact O-N 3.35Å; I116-T119 PolarHBondContact O-OG1 2.98Å; T119-T123 WeakPolarHBondContact O-CB 3.27Å; T119-T123 VanDerWaalsContact O-CG2 3.29Å; T119-T123 WeakPolarHBondContact O-CG2 3.28Å; T119-T123 PolarHBondContact O-N 3.4Å; T119-T123 PolarHBondContact O-OG1 3.48Å |
| 120 | T | 82.4 | Confident | 78.4 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 172.3 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | I116 A117 I118 T122 T123 S124 T158 | I116-T120 PolarHBondContact O-N 3.01Å; I116-T120 PolarHBondContact O-OG1 2.76Å; A117-T120 PolarHBondContact O-N 2.93Å; I118-T120 VanDerWaalsContact C-N 3.33Å; I118-T120 PolarHBondContact O-N 3.44Å; T120-T122 VanDerWaalsContact C-N 3.27Å; T120-T122 PolarHBondContact O-N 2.86Å; T120-T123 WeakPolarHBondContact CA-OG1 3.43Å; T120-T123 PolarHBondContact O-N 3.47Å; T120-T123 PolarHBondContact O-OG1 2.82Å; T120-S124 VanDerWaalsContact O-CB 3.31Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 2.83Å; T120-S124 PolarHBondContact O-OG 2.66Å; T120-T158 HydrophobicContact CG2-CG2 3.88Å; T120-T158 WeakPolarHBondContact CG2-OG1 3.14Å; T120-T158 PolarHBondContact OG1-OG1 3.1Å |
| 121 | A | 85.5 | Confident | 79.7 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A117 I118 S124 A125 | A117-A121 VanDerWaalsContact O-CB 3.22Å; A117-A121 WeakPolarHBondContact O-CB 3.36Å; A117-A121 PolarHBondContact O-N 2.96Å; I118-A121 PolarHBondContact O-N 3.05Å; A121-S124 WeakPolarHBondContact CA-OG 3.42Å; A121-S124 PolarHBondContact O-OG 3.37Å; A121-A125 VanDerWaalsContact O-CB 3.24Å; A121-A125 WeakPolarHBondContact O-CB 3.32Å; A121-A125 PolarHBondContact O-N 2.85Å |
| 122 | T | 85.7 | Confident | 80.8 | Confident | 87 Ų | 87 | 59.5 Ų | 59.5 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | I118 T120 A125 F126 | I118-T122 WeakPolarHBondContact O-CB 2.83Å; I118-T122 PolarHBondContact O-N 3.35Å; I118-T122 PolarHBondContact O-OG1 3.38Å; T120-T122 VanDerWaalsContact C-N 3.27Å; T120-T122 PolarHBondContact O-N 2.86Å; T122-A125 PolarHBondContact O-N 3.34Å; T122-F126 WeakPolarHBondContact O-CB 3.39Å; T122-F126 PolarHBondContact O-N 2.83Å |
| 123 | T | 85.1 | Confident | 81 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | -180 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | L93 R97 T119 T120 F126 L127 | L93-T123 HydrophobicContact CD1-CG2 3.92Å; L93-T123 HydrophobicContact CG-CG2 4.36Å; R97-T123 HydrophobicContact CB-CG2 4.47Å; T119-T123 WeakPolarHBondContact O-CB 3.27Å; T119-T123 VanDerWaalsContact O-CG2 3.29Å; T119-T123 WeakPolarHBondContact O-CG2 3.28Å; T119-T123 PolarHBondContact O-N 3.4Å; T119-T123 PolarHBondContact O-OG1 3.48Å; T120-T123 WeakPolarHBondContact CA-OG1 3.43Å; T120-T123 PolarHBondContact O-N 3.47Å; T120-T123 PolarHBondContact O-OG1 2.82Å; T123-F126 PolarHBondContact O-N 2.98Å; T123-L127 PolarHBondContact O-N 3.49Å |
| 124 | S | 85.5 | Confident | 81 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 175.3 | 56 | 0 | 0 | 0 | 0 | 112.8 | T120 A121 F126 L127 I128 | T120-S124 VanDerWaalsContact O-CB 3.31Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 2.83Å; T120-S124 PolarHBondContact O-OG 2.66Å; A121-S124 WeakPolarHBondContact CA-OG 3.42Å; A121-S124 PolarHBondContact O-OG 3.37Å; S124-F126 VanDerWaalsContact C-N 3.3Å; S124-F126 PolarHBondContact O-N 3.21Å; S124-L127 PolarHBondContact O-N 3.03Å; S124-I128 VanDerWaalsContact O-CG1 3.31Å; S124-I128 WeakPolarHBondContact O-CG1 3.35Å; S124-I128 PolarHBondContact O-N 3.34Å |
| 125 | A | 88.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A121 T122 I128 A129 | A121-A125 VanDerWaalsContact O-CB 3.24Å; A121-A125 WeakPolarHBondContact O-CB 3.32Å; A121-A125 PolarHBondContact O-N 2.85Å; T122-A125 PolarHBondContact O-N 3.34Å; A125-I128 PolarHBondContact O-N 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 2.83Å |
| 126 | F | 86.5 | Confident | 79.9 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.7 | -177.5 | -91.2 | 0 | 0 | 0 | 112 | Y83 D89 L93 T122 T123 S124 I128 A129 K130 | Y83-F126 HydrophobicContact CE2-CE2 4.33Å; Y83-F126 HydrophobicContact CE2-CZ 4.32Å; D89-F126 HydrophobicContact CB-CE1 4.22Å; D89-F126 HydrophobicContact CB-CZ 4.18Å; L93-F126 HydrophobicContact CB-CE1 4.46Å; L93-F126 HydrophobicContact CD1-CB 4.36Å; L93-F126 HydrophobicContact CD1-CD1 3.62Å; L93-F126 HydrophobicContact CD1-CE1 4.15Å; L93-F126 HydrophobicContact CD1-CG 4.13Å; L93-F126 HydrophobicContact CD2-CD1 3.77Å; L93-F126 HydrophobicContact CD2-CE1 4.39Å; L93-F126 HydrophobicContact CG-CD1 4.18Å; T122-F126 WeakPolarHBondContact O-CB 3.39Å; T122-F126 PolarHBondContact O-N 2.83Å; T123-F126 PolarHBondContact O-N 2.98Å; S124-F126 VanDerWaalsContact C-N 3.3Å; S124-F126 PolarHBondContact O-N 3.21Å; F126-I128 PolarHBondContact O-N 3.44Å; F126-A129 PolarHBondContact O-N 2.95Å; F126-K130 VanDerWaalsContact O-CB 3.25Å; F126-K130 WeakPolarHBondContact O-CB 3.37Å; F126-K130 PolarHBondContact O-N 2.91Å |
| 127 | L | 85.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.6 | -76.9 | 177.1 | 0 | 0 | 0 | 112.3 | I90 L93 T123 S124 K130 V131 F151 | I90-L127 HydrophobicContact CG1-CD2 4.42Å; I90-L127 HydrophobicContact CG2-CD2 4.44Å; L93-L127 HydrophobicContact CD2-CD1 4.12Å; L93-L127 HydrophobicContact CD2-CD2 3.46Å; L93-L127 VanDerWaalsContact CD2-CD2 3.46Å; L93-L127 HydrophobicContact CD2-CG 3.44Å; L93-L127 VanDerWaalsContact CD2-CG 3.44Å; T123-L127 PolarHBondContact O-N 3.49Å; S124-L127 PolarHBondContact O-N 3.03Å; L127-K130 PolarHBondContact O-N 3.34Å; L127-V131 WeakPolarHBondContact O-CB 3.42Å; L127-V131 VanDerWaalsContact O-CG2 3.25Å; L127-V131 WeakPolarHBondContact O-CG2 3.41Å; L127-V131 PolarHBondContact O-N 2.72Å; L127-F151 HydrophobicContact CD1-CB 4.18Å; L127-F151 HydrophobicContact CD1-CD2 4.49Å |
| 128 | I | 85.2 | Confident | 78.1 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 44% | 0.436 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 178.4 | -67.4 | 164.9 | 0 | 0 | 0 | 110.3 | S124 A125 F126 K130 V131 I132 F151 | S124-I128 VanDerWaalsContact O-CG1 3.31Å; S124-I128 WeakPolarHBondContact O-CG1 3.35Å; S124-I128 PolarHBondContact O-N 3.34Å; A125-I128 PolarHBondContact O-N 3.27Å; F126-I128 PolarHBondContact O-N 3.44Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.41Å; I128-V131 PolarHBondContact O-N 3.12Å; I128-I132 HydrophobicContact CG2-CD1 3.77Å; I128-I132 VanDerWaalsContact O-CG1 3.3Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 2.97Å; I128-F151 HydrophobicContact CD1-CE2 4.45Å; I128-F151 HydrophobicContact CG1-CE2 4.39Å |
| 129 | A | 84.1 | Confident | 77.2 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A125 F126 I132 L133 | A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 2.83Å; F126-A129 PolarHBondContact O-N 2.95Å; A129-I132 PolarHBondContact O-N 3.02Å; A129-L133 VanDerWaalsContact O-CB 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.2Å; A129-L133 VanDerWaalsContact O-CG 3.25Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 2.91Å |
| 130 | K | 82.8 | Confident | 76.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.7 | -176.4 | 77.2 | 179.2 | 177.3 | 0 | 111.4 | Y83 S86 D89 I90 F126 L127 I128 I132 L133 S134 | Y83-K130 PolarHBondContact O-NZ 3.3Å; S86-K130 PolarHBondContact O-NZ 2.92Å; D89-K130 HydrophobicContact CB-CD 4.14Å; D89-K130 IonicContact OD2-NZ 3.67Å; D89-K130 PolarHBondContact OD2-NZ 3.34Å; I90-K130 HydrophobicContact CG1-CG 4.48Å; F126-K130 VanDerWaalsContact O-CB 3.25Å; F126-K130 WeakPolarHBondContact O-CB 3.37Å; F126-K130 PolarHBondContact O-N 2.91Å; L127-K130 PolarHBondContact O-N 3.34Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.41Å; K130-I132 VanDerWaalsContact C-N 3.32Å; K130-I132 PolarHBondContact O-N 3.46Å; K130-L133 PolarHBondContact O-N 3.47Å; K130-S134 WeakPolarHBondContact O-CB 3.35Å; K130-S134 PolarHBondContact O-N 3.49Å; K130-S134 PolarHBondContact O-OG 3.31Å |
| 131 | V | 81.5 | Confident | 76 | Confident | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 178.6 | 165.7 | 0 | 0 | 0 | 0 | 111.4 | L127 I128 L137 P147 | L127-V131 WeakPolarHBondContact O-CB 3.42Å; L127-V131 VanDerWaalsContact O-CG2 3.25Å; L127-V131 WeakPolarHBondContact O-CG2 3.41Å; L127-V131 PolarHBondContact O-N 2.72Å; I128-V131 PolarHBondContact O-N 3.12Å; V131-L137 WeakPolarHBondContact O-CD1 3.27Å; V131-P147 HydrophobicContact CG2-CB 3.55Å; V131-P147 HydrophobicContact CG2-CG 4.5Å |
| 132 | I | 79.4 | Confident | 75.3 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 66% | 0.656 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.2 | -36.9 | -178.8 | -64.4 | 166.3 | 0 | 0 | 0 | 111.7 | I128 A129 K130 | I128-I132 HydrophobicContact CG2-CD1 3.77Å; I128-I132 VanDerWaalsContact O-CG1 3.3Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 2.97Å; A129-I132 PolarHBondContact O-N 3.02Å; K130-I132 VanDerWaalsContact C-N 3.32Å; K130-I132 PolarHBondContact O-N 3.46Å |
| 133 | L | 70.8 | Confident | 74.8 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -87.6 | -18.1 | -174.8 | -68.7 | 172.3 | 0 | 0 | 0 | 114.2 | Y83 H84 A129 K130 | Y83-L133 HydrophobicContact CE1-CD1 4.29Å; H84-L133 PolarHBondContact ND1-O 3.03Å; A129-L133 VanDerWaalsContact O-CB 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.2Å; A129-L133 VanDerWaalsContact O-CG 3.25Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 2.91Å; K130-L133 PolarHBondContact O-N 3.47Å |
| 134 | S | 69.1 | Low | 74.6 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | trans | -82 | 122.5 | -174.1 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | H84 K130 L136 | H84-S134 WeakPolarHBondContact O-CA 2.87Å; K130-S134 WeakPolarHBondContact O-CB 3.35Å; K130-S134 PolarHBondContact O-N 3.49Å; K130-S134 PolarHBondContact O-OG 3.31Å; S134-L136 PolarHBondContact O-N 3.5Å; S134-L136 VanDerWaalsContact O-N 3.11Å | ||
| 135 | K | 64.6 | Low | 74.5 | Confident | 174 Ų | 174 | 63.6 Ų | 63.6 | 76% | 0.757 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -68.5 | -3.5 | 169.2 | -71.5 | -167.2 | 177.3 | 178.4 | 0 | 112.9 | H84 L137 S138 | H84-K135 PolarHBondContact O-N 3.37Å; K135-L137 PolarHBondContact O-N 3.3Å; K135-S138 PolarHBondContact O-N 2.9Å |
| 136 | L | 58.2 | Low | 74.3 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -57.1 | -23.9 | 173.7 | -74.4 | 164.5 | 0 | 0 | 0 | 113.6 | A85 F87 S134 S138 Q139 | A85-L136 VanDerWaalsContact O-CD2 3.26Å; A85-L136 WeakPolarHBondContact O-CD2 3.46Å; F87-L136 HydrophobicContact CD1-CD1 3.98Å; F87-L136 HydrophobicContact CD2-CD1 4.46Å; F87-L136 HydrophobicContact CD2-CD2 4.21Å; F87-L136 HydrophobicContact CE1-CB 4.3Å; F87-L136 HydrophobicContact CE1-CD1 3.77Å; F87-L136 HydrophobicContact CE1-CD2 4.12Å; F87-L136 HydrophobicContact CE1-CG 4.27Å; F87-L136 HydrophobicContact CE2-CD1 4.23Å; F87-L136 HydrophobicContact CE2-CD2 3.39Å; F87-L136 HydrophobicContact CE2-CG 4.34Å; F87-L136 HydrophobicContact CG-CD1 4.34Å; F87-L136 HydrophobicContact CZ-CB 4.11Å; F87-L136 HydrophobicContact CZ-CD1 3.9Å; F87-L136 HydrophobicContact CZ-CD2 3.36Å; F87-L136 HydrophobicContact CZ-CG 3.97Å; S134-L136 PolarHBondContact O-N 3.5Å; S134-L136 VanDerWaalsContact O-N 3.11Å; L136-S138 PolarHBondContact O-N 3.43Å; L136-Q139 PolarHBondContact O-N 3.38Å |
| 137 | L | 57 | Low | 74.1 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -64.6 | -1.7 | 169.6 | -60.6 | 180 | 0 | 0 | 0 | 113.6 | V131 K135 Y144 | V131-L137 WeakPolarHBondContact O-CD1 3.27Å; K135-L137 PolarHBondContact O-N 3.3Å; L137-Y144 VanDerWaalsContact C-CE1 3.46Å; L137-Y144 VanDerWaalsContact CA-CE1 3.41Å; L137-Y144 HydrophobicContact CB-CD1 4.23Å; L137-Y144 HydrophobicContact CB-CE1 3.79Å; L137-Y144 HydrophobicContact CD2-CD1 3.42Å; L137-Y144 VanDerWaalsContact CD2-CD1 3.42Å; L137-Y144 HydrophobicContact CD2-CE1 3.91Å; L137-Y144 HydrophobicContact CD2-CG 4.47Å; L137-Y144 HydrophobicContact CG-CD1 4.41Å; L137-Y144 HydrophobicContact CG-CE1 4.46Å; L137-Y144 WeakPolarHBondContact O-CE1 3.48Å; L137-Y144 PolarHBondContact O-OH 2.91Å |
| 138 | S | 60.3 | Low | 74.2 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 78% | 0.783 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -107.9 | -2.8 | 169.8 | -83.3 | 0 | 0 | 0 | 0 | 113.3 | K135 L136 | K135-S138 PolarHBondContact O-N 2.9Å; L136-S138 PolarHBondContact O-N 3.43Å |
| 139 | Q | 62.6 | Low | 74.3 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -99.2 | 21.5 | -166.3 | -149 | 170.9 | -70.4 | 0 | 0 | 114.8 | L136 | L136-Q139 PolarHBondContact O-N 3.38Š|
| 140 | G | 67.5 | Low | 74.4 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | trans | 104.5 | 168.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F142 G143 Y144 | G140-F142 VanDerWaalsContact C-N 3.29Å; G140-F142 PolarHBondContact O-N 3.09Å; G140-F142 VanDerWaalsContact O-N 3.16Å; G140-G143 PolarHBondContact O-N 2.81Å; G140-Y144 VanDerWaalsContact C-CE2 3.48Å; G140-Y144 VanDerWaalsContact O-CD2 3.29Å; G140-Y144 WeakPolarHBondContact O-CD2 3.38Å; G140-Y144 WeakPolarHBondContact O-CE2 3.4Å | ||
| 141 | A | 70.3 | Confident | 74.6 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.4 | -31.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115 | G143 Y144 | A141-G143 VanDerWaalsContact C-N 3.33Å; A141-Y144 WeakPolarHBondContact O-CD2 3.47Å |
| 142 | F | 72.3 | Confident | 75 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 39% | 0.386 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74 | -23.3 | 177.8 | -94.5 | -88.1 | 0 | 0 | 0 | 113.4 | I62 G140 Y144 L145 L146 | I62-F142 HydrophobicContact CG2-CE1 4Å; I62-F142 HydrophobicContact CG2-CZ 4.46Å; G140-F142 VanDerWaalsContact C-N 3.29Å; G140-F142 PolarHBondContact O-N 3.09Å; G140-F142 VanDerWaalsContact O-N 3.16Å; F142-Y144 VanDerWaalsContact C-N 3.31Å; F142-Y144 PolarHBondContact O-N 3.46Å; F142-L145 HydrophobicContact CD1-CD2 4.04Å; F142-L145 HydrophobicContact CE1-CD2 3.91Å; F142-L145 PolarHBondContact O-N 3.25Å; F142-L146 PolarHBondContact O-N 2.95Å |
| 143 | G | 75.3 | Confident | 75.3 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.2 | -25.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | G140 A141 P147 | G140-G143 PolarHBondContact O-N 2.81Å; A141-G143 VanDerWaalsContact C-N 3.33Å; G143-P147 WeakPolarHBondContact O-CD 3.12Å; G143-P147 WeakPolarHBondContact O-CG 3.4Å |
| 144 | Y | 79 | Confident | 75.9 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -82.5 | -33.3 | 172.1 | -40.8 | -85.8 | 0 | 0 | 0 | 111.9 | L137 G140 A141 F142 L146 P147 I148 | L137-Y144 VanDerWaalsContact C-CE1 3.46Å; L137-Y144 VanDerWaalsContact CA-CE1 3.41Å; L137-Y144 HydrophobicContact CB-CD1 4.23Å; L137-Y144 HydrophobicContact CB-CE1 3.79Å; L137-Y144 HydrophobicContact CD2-CD1 3.42Å; L137-Y144 VanDerWaalsContact CD2-CD1 3.42Å; L137-Y144 HydrophobicContact CD2-CE1 3.91Å; L137-Y144 HydrophobicContact CD2-CG 4.47Å; L137-Y144 HydrophobicContact CG-CD1 4.41Å; L137-Y144 HydrophobicContact CG-CE1 4.46Å; L137-Y144 WeakPolarHBondContact O-CE1 3.48Å; L137-Y144 PolarHBondContact O-OH 2.91Å; G140-Y144 VanDerWaalsContact C-CE2 3.48Å; G140-Y144 VanDerWaalsContact O-CD2 3.29Å; G140-Y144 WeakPolarHBondContact O-CD2 3.38Å; G140-Y144 WeakPolarHBondContact O-CE2 3.4Å; A141-Y144 WeakPolarHBondContact O-CD2 3.47Å; F142-Y144 VanDerWaalsContact C-N 3.31Å; F142-Y144 PolarHBondContact O-N 3.46Å; Y144-L146 VanDerWaalsContact C-N 3.35Å; Y144-L146 PolarHBondContact O-N 3.04Å; Y144-P147 WeakPolarHBondContact O-CD 3.19Å; Y144-I148 WeakPolarHBondContact O-CB 3.49Å; Y144-I148 VanDerWaalsContact O-CD1 3.24Å; Y144-I148 WeakPolarHBondContact O-CD1 3.46Å; Y144-I148 WeakPolarHBondContact O-CG1 3.27Å; Y144-I148 PolarHBondContact O-N 2.94Å; Y144-I148 VanDerWaalsContact O-N 3.17Å |
| 145 | L | 84.2 | Confident | 76.6 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | -172.3 | -170.4 | 64.1 | 0 | 0 | 0 | 111.3 | F142 I148 I149 | F142-L145 HydrophobicContact CD1-CD2 4.04Å; F142-L145 HydrophobicContact CE1-CD2 3.91Å; F142-L145 PolarHBondContact O-N 3.25Å; L145-I148 PolarHBondContact O-N 3.3Å; L145-I149 HydrophobicContact CD1-CD1 3.65Å; L145-I149 HydrophobicContact CD1-CG1 4.03Å; L145-I149 HydrophobicContact CD2-CD1 4.3Å; L145-I149 HydrophobicContact CG-CD1 3.63Å; L145-I149 HydrophobicContact CG-CG1 4.26Å; L145-I149 VanDerWaalsContact O-CB 3.27Å; L145-I149 WeakPolarHBondContact O-CB 3.36Å; L145-I149 VanDerWaalsContact O-CG1 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.35Å; L145-I149 PolarHBondContact O-N 3.34Å |
| 146 | L | 83.9 | Confident | 77.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -48.9 | -175.6 | -164.4 | 153.9 | 0 | 0 | 0 | 112.9 | L59 W60 E63 F87 I90 F142 Y144 S150 | L59-L146 HydrophobicContact CB-CD1 4.19Å; L59-L146 HydrophobicContact CB-CG 4.32Å; W60-L146 HydrophobicContact CB-CD1 4.11Å; E63-L146 HydrophobicContact CB-CD1 4.28Å; F87-L146 HydrophobicContact CB-CD2 4.45Å; F87-L146 HydrophobicContact CD1-CB 4.47Å; F87-L146 HydrophobicContact CD1-CD1 4.34Å; F87-L146 HydrophobicContact CD1-CD2 3.96Å; F87-L146 HydrophobicContact CG-CD1 4.49Å; I90-L146 HydrophobicContact CB-CD2 3.72Å; I90-L146 HydrophobicContact CD1-CD2 3.55Å; I90-L146 HydrophobicContact CG1-CD2 4.23Å; I90-L146 HydrophobicContact CG2-CD2 3.54Å; F142-L146 PolarHBondContact O-N 2.95Å; Y144-L146 VanDerWaalsContact C-N 3.35Å; Y144-L146 PolarHBondContact O-N 3.04Å; L146-S150 VanDerWaalsContact O-CB 3.31Å; L146-S150 WeakPolarHBondContact O-CB 3.3Å; L146-S150 PolarHBondContact O-N 3.39Å |
| 147 | P | 82.9 | Confident | 78.5 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.078 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 172.6 | -16 | 23.9 | 0 | 0 | 0 | 114.1 | I90 V131 G143 Y144 S150 F151 | I90-P147 HydrophobicContact CD1-CB 4.09Å; I90-P147 HydrophobicContact CD1-CG 3.8Å; V131-P147 HydrophobicContact CG2-CB 3.55Å; V131-P147 HydrophobicContact CG2-CG 4.5Å; G143-P147 WeakPolarHBondContact O-CD 3.12Å; G143-P147 WeakPolarHBondContact O-CG 3.4Å; Y144-P147 WeakPolarHBondContact O-CD 3.19Å; P147-S150 PolarHBondContact O-N 3.45Å; P147-F151 WeakPolarHBondContact O-CB 3.49Å; P147-F151 PolarHBondContact O-N 3.01Å |
| 148 | I | 86.3 | Confident | 79.5 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | -178.4 | -69.5 | 167.8 | 0 | 0 | 0 | 110.4 | Y144 L145 F151 I152 | Y144-I148 WeakPolarHBondContact O-CB 3.49Å; Y144-I148 VanDerWaalsContact O-CD1 3.24Å; Y144-I148 WeakPolarHBondContact O-CD1 3.46Å; Y144-I148 WeakPolarHBondContact O-CG1 3.27Å; Y144-I148 PolarHBondContact O-N 2.94Å; Y144-I148 VanDerWaalsContact O-N 3.17Å; L145-I148 PolarHBondContact O-N 3.3Å; I148-F151 PolarHBondContact O-N 3.46Å; I148-I152 HydrophobicContact CG2-CD1 3.8Å; I148-I152 VanDerWaalsContact O-CG1 3.32Å; I148-I152 WeakPolarHBondContact O-CG1 3.18Å; I148-I152 PolarHBondContact O-N 3.37Å |
| 149 | I | 87.9 | Confident | 80.4 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 177 | -72.8 | -178.7 | 0 | 0 | 0 | 110.8 | F55 I56 L59 L145 F151 I152 L153 | F55-I149 HydrophobicContact CD1-CG2 3.79Å; F55-I149 HydrophobicContact CE1-CD1 4.13Å; F55-I149 HydrophobicContact CE1-CG2 3.45Å; F55-I149 VanDerWaalsContact CE1-CG2 3.45Å; I56-I149 HydrophobicContact CD1-CG2 4.28Å; L59-I149 HydrophobicContact CD1-CB 4.07Å; L59-I149 HydrophobicContact CD1-CD1 3.66Å; L59-I149 HydrophobicContact CD1-CG1 4.46Å; L59-I149 HydrophobicContact CD1-CG2 3.62Å; L59-I149 HydrophobicContact CD2-CD1 4.45Å; L145-I149 HydrophobicContact CD1-CD1 3.65Å; L145-I149 HydrophobicContact CD1-CG1 4.03Å; L145-I149 HydrophobicContact CD2-CD1 4.3Å; L145-I149 HydrophobicContact CG-CD1 3.63Å; L145-I149 HydrophobicContact CG-CG1 4.26Å; L145-I149 VanDerWaalsContact O-CB 3.27Å; L145-I149 WeakPolarHBondContact O-CB 3.36Å; L145-I149 VanDerWaalsContact O-CG1 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.35Å; L145-I149 PolarHBondContact O-N 3.34Å; I149-F151 PolarHBondContact O-N 3.03Å; I149-I152 PolarHBondContact O-N 3.36Å; I149-L153 HydrophobicContact CG2-CD1 3.74Å; I149-L153 HydrophobicContact CG2-CG 4.14Å; I149-L153 WeakPolarHBondContact O-CB 3.22Å; I149-L153 WeakPolarHBondContact O-CG 3.07Å; I149-L153 PolarHBondContact O-N 2.98Å |
| 150 | S | 87.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.7 | -40.7 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | I90 R97 L146 P147 A154 | I90-S150 WeakPolarHBondContact CG2-OG 3.49Å; R97-S150 PolarHBondContact NH1-O 3.21Å; L146-S150 VanDerWaalsContact O-CB 3.31Å; L146-S150 WeakPolarHBondContact O-CB 3.3Å; L146-S150 PolarHBondContact O-N 3.39Å; P147-S150 PolarHBondContact O-N 3.45Å; S150-A154 WeakPolarHBondContact O-CB 3.17Å; S150-A154 PolarHBondContact O-N 2.91Å |
| 151 | F | 86.8 | Confident | 81.1 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 32% | 0.32 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 175.4 | -179.8 | -100.1 | 0 | 0 | 0 | 112.4 | L127 I128 P147 I148 I149 L153 A154 W155 | L127-F151 HydrophobicContact CD1-CB 4.18Å; L127-F151 HydrophobicContact CD1-CD2 4.49Å; I128-F151 HydrophobicContact CD1-CE2 4.45Å; I128-F151 HydrophobicContact CG1-CE2 4.39Å; P147-F151 WeakPolarHBondContact O-CB 3.49Å; P147-F151 PolarHBondContact O-N 3.01Å; I148-F151 PolarHBondContact O-N 3.46Å; I149-F151 PolarHBondContact O-N 3.03Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-L153 PolarHBondContact O-N 3.13Å; F151-A154 WeakPolarHBondContact O-CB 3.35Å; F151-A154 PolarHBondContact O-N 2.87Å; F151-W155 AromaticContact CE1-CD1 3.69Å; F151-W155 AromaticContact CE1-NE1 3.76Å; F151-W155 AromaticContact CE2-CD1 3.65Å; F151-W155 AromaticContact CE2-NE1 3.3Å; F151-W155 VanDerWaalsContact CE2-NE1 3.3Å; F151-W155 AromaticContact CZ-CD1 3.47Å; F151-W155 VanDerWaalsContact CZ-CD1 3.47Å; F151-W155 AromaticContact CZ-NE1 3.08Å; F151-W155 PolarHBondContact O-N 3.14Å; F151-W155 VanDerWaalsContact O-N 3.11Å |
| 152 | I | 88.6 | Confident | 81.2 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 178.5 | -69.2 | 168.5 | 0 | 0 | 0 | 110.4 | I148 I149 A154 W155 I156 | I148-I152 HydrophobicContact CG2-CD1 3.8Å; I148-I152 VanDerWaalsContact O-CG1 3.32Å; I148-I152 WeakPolarHBondContact O-CG1 3.18Å; I148-I152 PolarHBondContact O-N 3.37Å; I149-I152 PolarHBondContact O-N 3.36Å; I152-A154 PolarHBondContact O-N 3.22Å; I152-W155 PolarHBondContact O-N 3.32Å; I152-I156 HydrophobicContact CG2-CD1 3.6Å; I152-I156 HydrophobicContact CG2-CG1 4.2Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.18Å; I152-I156 PolarHBondContact O-N 3.11Å |
| 153 | L | 86.3 | Confident | 80.7 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 179 | -69.3 | 176.1 | 0 | 0 | 0 | 112.4 | D52 F55 I56 I149 F151 W155 I156 E157 | D52-L153 WeakPolarHBondContact OD1-CB 3.31Å; D52-L153 VanDerWaalsContact OD1-CD1 3.26Å; D52-L153 WeakPolarHBondContact OD1-CD1 2.92Å; F55-L153 HydrophobicContact CB-CD1 4.38Å; F55-L153 HydrophobicContact CD1-CD1 3.51Å; F55-L153 HydrophobicContact CE1-CD1 4.21Å; F55-L153 HydrophobicContact CG-CD1 4.33Å; I56-L153 HydrophobicContact CD1-CD1 4.01Å; I56-L153 HydrophobicContact CG1-CD1 4.44Å; I149-L153 HydrophobicContact CG2-CD1 3.74Å; I149-L153 HydrophobicContact CG2-CG 4.14Å; I149-L153 WeakPolarHBondContact O-CB 3.22Å; I149-L153 WeakPolarHBondContact O-CG 3.07Å; I149-L153 PolarHBondContact O-N 2.98Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-L153 PolarHBondContact O-N 3.13Å; L153-W155 VanDerWaalsContact C-N 3.26Å; L153-W155 PolarHBondContact O-N 2.78Å; L153-I156 PolarHBondContact O-N 2.84Å; L153-E157 WeakPolarHBondContact O-CB 3.35Å; L153-E157 WeakPolarHBondContact O-CG 3.44Å; L153-E157 PolarHBondContact O-N 3.2Å |
| 154 | A | 83.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.2 | -41 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R97 S150 F151 I152 T158 | R97-A154 VanDerWaalsContact NH1-CB 3.33Å; S150-A154 WeakPolarHBondContact O-CB 3.17Å; S150-A154 PolarHBondContact O-N 2.91Å; F151-A154 WeakPolarHBondContact O-CB 3.35Å; F151-A154 PolarHBondContact O-N 2.87Å; I152-A154 PolarHBondContact O-N 3.22Å; A154-T158 WeakPolarHBondContact O-CB 3.34Å; A154-T158 PolarHBondContact O-N 3.2Å; A154-T158 VanDerWaalsContact O-N 3.1Å; A154-T158 PolarHBondContact O-OG1 3.46Å |
| 155 | W | 83.1 | Confident | 79.1 | Confident | 150 Ų | 150 | 55.1 Ų | 55.1 | 57% | 0.568 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -71.9 | -41.6 | 177.1 | -88.9 | 87.5 | 0 | 0 | 0 | 112.6 | F151 I152 L153 T158 W159 | F151-W155 AromaticContact CE1-CD1 3.69Å; F151-W155 AromaticContact CE1-NE1 3.76Å; F151-W155 AromaticContact CE2-CD1 3.65Å; F151-W155 AromaticContact CE2-NE1 3.3Å; F151-W155 VanDerWaalsContact CE2-NE1 3.3Å; F151-W155 AromaticContact CZ-CD1 3.47Å; F151-W155 VanDerWaalsContact CZ-CD1 3.47Å; F151-W155 AromaticContact CZ-NE1 3.08Å; F151-W155 PolarHBondContact O-N 3.14Å; F151-W155 VanDerWaalsContact O-N 3.11Å; I152-W155 PolarHBondContact O-N 3.32Å; L153-W155 VanDerWaalsContact C-N 3.26Å; L153-W155 PolarHBondContact O-N 2.78Å; W155-T158 PolarHBondContact O-N 3.38Å; W155-W159 WeakPolarHBondContact O-CB 3.32Å; W155-W159 PolarHBondContact O-N 3.48Å |
| 156 | I | 83.4 | Confident | 77.8 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 35% | 0.349 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.6 | -63.8 | 169.4 | 0 | 0 | 0 | 110.4 | F48 I152 L153 T158 W159 L160 | F48-I156 HydrophobicContact CE1-CB 4.42Å; F48-I156 HydrophobicContact CE1-CG2 3.88Å; F48-I156 HydrophobicContact CE2-CG2 4.23Å; F48-I156 HydrophobicContact CZ-CB 4.13Å; F48-I156 HydrophobicContact CZ-CG2 3.36Å; I152-I156 HydrophobicContact CG2-CD1 3.6Å; I152-I156 HydrophobicContact CG2-CG1 4.2Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.18Å; I152-I156 PolarHBondContact O-N 3.11Å; L153-I156 PolarHBondContact O-N 2.84Å; I156-T158 VanDerWaalsContact C-N 3.35Å; I156-T158 PolarHBondContact O-N 3.26Å; I156-W159 PolarHBondContact O-N 3.22Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.21Å; I156-L160 WeakPolarHBondContact O-CB 3.48Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 3.21Å |
| 157 | E | 79.4 | Confident | 76.4 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 174.8 | -82.7 | -170.5 | -174.6 | 0 | 0 | 112.1 | F48 D52 R97 L101 L153 W159 L160 L161 | F48-E157 HydrophobicContact CD1-CB 4.42Å; F48-E157 HydrophobicContact CD1-CG 3.58Å; F48-E157 HydrophobicContact CE1-CB 4.12Å; F48-E157 HydrophobicContact CE1-CG 3.36Å; D52-E157 WeakPolarHBondContact CB-OE1 3.28Å; R97-E157 IonicContact CZ-OE1 2.63Å; R97-E157 IonicContact CZ-OE2 3.73Å; R97-E157 IonicContact NE-OE1 2.84Å; R97-E157 IonicContact NE-OE2 2.68Å; R97-E157 PolarHBondContact NE-OE2 3.33Å; R97-E157 IonicContact NH2-OE1 2.69Å; R97-E157 PolarHBondContact NH2-OE1 3.1Å; R97-E157 IonicContact NH2-OE2 3.79Å; R97-E157 PolarHBondContact NH2-OE2 2.84Å; L101-E157 WeakPolarHBondContact CD1-OE2 3.26Å; L153-E157 WeakPolarHBondContact O-CB 3.35Å; L153-E157 WeakPolarHBondContact O-CG 3.44Å; L153-E157 PolarHBondContact O-N 3.2Å; E157-W159 VanDerWaalsContact C-N 3.34Å; E157-L160 PolarHBondContact O-N 2.86Å; E157-L161 WeakPolarHBondContact O-CB 3.14Å; E157-L161 WeakPolarHBondContact O-CG 3.13Å; E157-L161 PolarHBondContact O-N 3.25Å |
| 158 | T | 77.8 | Confident | 75.1 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | T120 A154 W155 I156 L161 D162 | T120-T158 HydrophobicContact CG2-CG2 3.88Å; T120-T158 WeakPolarHBondContact CG2-OG1 3.14Å; T120-T158 PolarHBondContact OG1-OG1 3.1Å; A154-T158 WeakPolarHBondContact O-CB 3.34Å; A154-T158 PolarHBondContact O-N 3.2Å; A154-T158 VanDerWaalsContact O-N 3.1Å; A154-T158 PolarHBondContact O-OG1 3.46Å; W155-T158 PolarHBondContact O-N 3.38Å; I156-T158 VanDerWaalsContact C-N 3.35Å; I156-T158 PolarHBondContact O-N 3.26Å; T158-L161 WeakPolarHBondContact O-CB 3.29Å; T158-L161 PolarHBondContact O-N 2.93Å; T158-D162 WeakPolarHBondContact O-CB 3.23Å; T158-D162 PolarHBondContact O-N 2.9Å |
| 159 | W | 79.3 | Confident | 73.9 | Confident | 150 Ų | 150 | 55.2 Ų | 55.2 | 57% | 0.568 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 176.5 | -171.2 | 85.5 | 0 | 0 | 0 | 111.8 | W155 I156 E157 D162 F163 | W155-W159 WeakPolarHBondContact O-CB 3.32Å; W155-W159 PolarHBondContact O-N 3.48Å; I156-W159 PolarHBondContact O-N 3.22Å; E157-W159 VanDerWaalsContact C-N 3.34Å; W159-D162 PolarHBondContact O-N 3.33Å; W159-F163 AromaticContact CD1-CD2 3.26Å; W159-F163 AromaticContact CD1-CE2 3.29Å; W159-F163 AromaticContact CD2-CD2 3.95Å; W159-F163 HydrophobicContact CD2-CD2 3.95Å; W159-F163 AromaticContact CE2-CD2 3.56Å; W159-F163 AromaticContact CG-CD2 3.76Å; W159-F163 HydrophobicContact CG-CD2 3.76Å; W159-F163 HydrophobicContact CG-CE2 4.21Å; W159-F163 HydrophobicContact CZ2-CD2 4.29Å; W159-F163 HydrophobicContact CZ2-CG 4.43Å; W159-F163 AromaticContact NE1-CD2 3.11Å; W159-F163 AromaticContact NE1-CE2 3.15Å; W159-F163 WeakPolarHBondContact O-CB 2.88Å; W159-F163 PolarHBondContact O-N 3.19Å |
| 160 | L | 73.7 | Confident | 72.4 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 175.8 | -74.9 | 174.1 | 0 | 0 | 0 | 112.5 | F48 I156 E157 K164 | F48-L160 HydrophobicContact CD1-CD1 3.53Å; F48-L160 HydrophobicContact CD2-CD1 3.68Å; F48-L160 HydrophobicContact CE1-CD1 3.48Å; F48-L160 VanDerWaalsContact CE1-CD1 3.48Å; F48-L160 HydrophobicContact CE2-CD1 3.63Å; F48-L160 HydrophobicContact CG-CD1 3.65Å; F48-L160 HydrophobicContact CZ-CD1 3.56Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.21Å; I156-L160 WeakPolarHBondContact O-CB 3.48Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 3.21Å; E157-L160 PolarHBondContact O-N 2.86Å; L160-K164 HydrophobicContact CD2-CD 4.28Å; L160-K164 VanDerWaalsContact O-CB 3.27Å; L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 2.68Å |
| 161 | L | 72.4 | Confident | 70.9 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -59.2 | -51.5 | 170.7 | -84.8 | 162.3 | 0 | 0 | 0 | 110.8 | F45 L101 I116 E157 T158 V165 L166 | F45-L161 HydrophobicContact CD2-CD2 3.62Å; F45-L161 HydrophobicContact CD2-CG 4.11Å; F45-L161 HydrophobicContact CE2-CD1 3.96Å; F45-L161 HydrophobicContact CE2-CD2 3.09Å; F45-L161 HydrophobicContact CE2-CG 3.57Å; F45-L161 HydrophobicContact CZ-CD2 3.71Å; F45-L161 HydrophobicContact CZ-CG 4.48Å; L101-L161 HydrophobicContact CD2-CD1 3.53Å; I116-L161 HydrophobicContact CG2-CD1 3.91Å; E157-L161 WeakPolarHBondContact O-CB 3.14Å; E157-L161 WeakPolarHBondContact O-CG 3.13Å; E157-L161 PolarHBondContact O-N 3.25Å; T158-L161 WeakPolarHBondContact O-CB 3.29Å; T158-L161 PolarHBondContact O-N 2.93Å; L161-V165 PolarHBondContact O-N 2.77Å; L161-L166 WeakPolarHBondContact O-CD1 3.12Å; L161-L166 PolarHBondContact O-N 3.47Å |
| 162 | D | 71.3 | Confident | 69.5 | Low | 54 Ų | 54 | 58.4 Ų | 58.4 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -71.7 | -47.1 | -170.4 | -157.9 | 40.8 | 0 | 0 | 0 | 113.4 | W113 T158 W159 P167 | W113-D162 VanDerWaalsContact CE2-OD1 3.23Å; W113-D162 VanDerWaalsContact CZ2-OD1 3.27Å; W113-D162 WeakPolarHBondContact CZ2-OD1 3.32Å; W113-D162 PolarHBondContact NE1-OD1 3.45Å; T158-D162 WeakPolarHBondContact O-CB 3.23Å; T158-D162 PolarHBondContact O-N 2.9Å; W159-D162 PolarHBondContact O-N 3.33Å; D162-P167 WeakPolarHBondContact O-CD 3.32Å |
| 163 | F | 62 | Low | 68.1 | Low | 128 Ų | 128 | 59.4 Ų | 59.4 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | I | π-helix | trans | -90.6 | -18.1 | -174 | -76.1 | -78.4 | 0 | 0 | 0 | 114.9 | W159 | W159-F163 AromaticContact CD1-CD2 3.26Å; W159-F163 AromaticContact CD1-CE2 3.29Å; W159-F163 AromaticContact CD2-CD2 3.95Å; W159-F163 HydrophobicContact CD2-CD2 3.95Å; W159-F163 AromaticContact CE2-CD2 3.56Å; W159-F163 AromaticContact CG-CD2 3.76Å; W159-F163 HydrophobicContact CG-CD2 3.76Å; W159-F163 HydrophobicContact CG-CE2 4.21Å; W159-F163 HydrophobicContact CZ2-CD2 4.29Å; W159-F163 HydrophobicContact CZ2-CG 4.43Å; W159-F163 AromaticContact NE1-CD2 3.11Å; W159-F163 AromaticContact NE1-CE2 3.15Å; W159-F163 WeakPolarHBondContact O-CB 2.88Å; W159-F163 PolarHBondContact O-N 3.19Å |
| 164 | K | 61.9 | Low | 66.8 | Low | 129 Ų | 129 | 63.5 Ų | 63.5 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | I | π-helix | trans | -121.7 | -27.9 | -168.1 | -152.5 | 174.1 | 171.9 | 71.7 | 0 | 114.5 | L160 | L160-K164 HydrophobicContact CD2-CD 4.28Å; L160-K164 VanDerWaalsContact O-CB 3.27Å; L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 2.68Å |
| 165 | V | 59.6 | Low | 65.7 | Low | 11 Ų | 11 | 70.7 Ų | 70.7 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -103 | -42.3 | -176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | V41 F45 L110 L161 E169 | V41-V165 HydrophobicContact CG1-CB 4.19Å; V41-V165 HydrophobicContact CG1-CG1 4.14Å; V41-V165 HydrophobicContact CG1-CG2 3.73Å; F45-V165 HydrophobicContact CB-CG2 4.34Å; L110-V165 HydrophobicContact CD2-CG1 4.02Å; L161-V165 PolarHBondContact O-N 2.77Å; V165-E169 HydrophobicContact CG1-CG 4.48Å; V165-E169 WeakPolarHBondContact O-CG 3.24Å; V165-E169 PolarHBondContact O-N 2.74Å |
| 166 | L | 56.6 | Low | 64.5 | Low | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.8 | -41.3 | -176 | -78.2 | 147 | 0 | 0 | 0 | 115.3 | L110 L161 Q168 A170 | L110-L166 HydrophobicContact CD2-CD2 4.25Å; L161-L166 WeakPolarHBondContact O-CD1 3.12Å; L161-L166 PolarHBondContact O-N 3.47Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.2Å |
| 167 | P | 54.2 | Low | 63.4 | Low | 59 Ų | 59 | 70 Ų | 70 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 175.2 | -16.7 | 29.4 | 0 | 0 | 0 | 111 | D162 A170 D171 | D162-P167 WeakPolarHBondContact O-CD 3.32Å; P167-A170 PolarHBondContact O-N 3.43Å; P167-D171 WeakPolarHBondContact O-CB 3.48Å; P167-D171 PolarHBondContact O-N 2.95Å |
| 168 | Q | 55.6 | Low | 62.5 | Low | 68 Ų | 68 | 73.7 Ų | 73.7 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.4 | -40.3 | -176.3 | -168.1 | 164.4 | -8.1 | 0 | 0 | 112 | C37 V41 L166 D172 | C37-Q168 PolarHBondContact SG-NE2 3.35Å; V41-Q168 HydrophobicContact CG2-CG 4.15Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; Q168-D172 WeakPolarHBondContact O-CB 3.46Å; Q168-D172 VanDerWaalsContact O-CG 3.22Å; Q168-D172 PolarHBondContact O-N 2.83Å; Q168-D172 VanDerWaalsContact O-N 3.13Å |
| 169 | E | 60.2 | Low | 61.6 | Low | 27 Ų | 27 | 76.4 Ų | 76.4 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.5 | -37.6 | 174.1 | -69.1 | -166.4 | 176 | 0 | 0 | 112.9 | R42 L110 V165 D172 E173 | R42-E169 IonicContact NE-OE1 3.89Å; L110-E169 WeakPolarHBondContact CD1-OE2 3.27Å; L110-E169 WeakPolarHBondContact CG-OE2 3.27Å; V165-E169 HydrophobicContact CG1-CG 4.48Å; V165-E169 WeakPolarHBondContact O-CG 3.24Å; V165-E169 PolarHBondContact O-N 2.74Å; E169-D172 PolarHBondContact O-N 3.25Å; E169-E173 WeakPolarHBondContact O-CG 3.2Å; E169-E173 PolarHBondContact O-N 3.33Å |
| 170 | A | 57.1 | Low | 60.6 | Low | 44 Ų | 44 | 74.8 Ų | 74.8 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.8 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L166 P167 N174 | L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.2Å; P167-A170 PolarHBondContact O-N 3.43Å; A170-N174 WeakPolarHBondContact O-CB 3.3Å; A170-N174 VanDerWaalsContact O-CG 3.3Å; A170-N174 PolarHBondContact O-N 3.3Å; A170-N174 PolarHBondContact O-ND2 3.09Å |
| 171 | D | 55.8 | Low | 59.7 | Low | 94 Ų | 94 | 77.2 Ų | 77.2 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 175.2 | -74.6 | -21.2 | 0 | 0 | 0 | 111.7 | P167 R175 | P167-D171 WeakPolarHBondContact O-CB 3.48Å; P167-D171 PolarHBondContact O-N 2.95Å; D171-R175 VanDerWaalsContact O-CB 3.23Å; D171-R175 WeakPolarHBondContact O-CB 3.42Å; D171-R175 PolarHBondContact O-N 2.95Å |
| 172 | D | 57.7 | Low | 58.8 | Low | 34 Ų | 34 | 80.1 Ų | 80.1 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 175.4 | -77.5 | -12.6 | 0 | 0 | 0 | 111.2 | Q168 E169 R175 F176 | Q168-D172 WeakPolarHBondContact O-CB 3.46Å; Q168-D172 VanDerWaalsContact O-CG 3.22Å; Q168-D172 PolarHBondContact O-N 2.83Å; Q168-D172 VanDerWaalsContact O-N 3.13Å; E169-D172 PolarHBondContact O-N 3.25Å; D172-R175 PolarHBondContact O-N 3Å; D172-F176 WeakPolarHBondContact O-CB 3.46Å; D172-F176 PolarHBondContact O-N 3.15Å |
| 173 | E | 58.8 | Low | 57.9 | Low | 102 Ų | 102 | 82.1 Ų | 82.1 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.7 | -73.1 | -169.3 | 159 | 0 | 0 | 112.4 | E169 R175 F176 L177 | E169-E173 WeakPolarHBondContact O-CG 3.2Å; E169-E173 PolarHBondContact O-N 3.33Å; E173-R175 VanDerWaalsContact C-N 3.32Å; E173-R175 PolarHBondContact O-N 2.75Å; E173-F176 PolarHBondContact O-N 2.83Å; E173-L177 WeakPolarHBondContact O-CB 3.44Å; E173-L177 WeakPolarHBondContact O-CG 3.28Å; E173-L177 PolarHBondContact O-N 2.85Å |
| 174 | N | 59.9 | Low | 57.1 | Low | 103 Ų | 103 | 83.7 Ų | 83.7 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -35.1 | 177.3 | -79.5 | -38.8 | 0 | 0 | 0 | 112.4 | A170 S178 | A170-N174 WeakPolarHBondContact O-CB 3.3Å; A170-N174 VanDerWaalsContact O-CG 3.3Å; A170-N174 PolarHBondContact O-N 3.3Å; A170-N174 PolarHBondContact O-ND2 3.09Å; N174-S178 VanDerWaalsContact O-CB 3.28Å; N174-S178 WeakPolarHBondContact O-CB 3.41Å; N174-S178 PolarHBondContact O-N 3.48Å |
| 175 | R | 59.8 | Low | 56.3 | Low | 153 Ų | 153 | 87.1 Ų | 87.1 | 58% | 0.577 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 176.9 | -162.9 | -175.4 | -59.7 | -143.5 | 1.6 | 111.4 | D171 D172 E173 S178 I179 | D171-R175 VanDerWaalsContact O-CB 3.23Å; D171-R175 WeakPolarHBondContact O-CB 3.42Å; D171-R175 PolarHBondContact O-N 2.95Å; D172-R175 PolarHBondContact O-N 3Å; E173-R175 VanDerWaalsContact C-N 3.32Å; E173-R175 PolarHBondContact O-N 2.75Å; R175-S178 PolarHBondContact O-N 3.03Å; R175-I179 HydrophobicContact CG-CD1 4.04Å; R175-I179 WeakPolarHBondContact O-CB 3.16Å; R175-I179 WeakPolarHBondContact O-CD1 3.22Å; R175-I179 WeakPolarHBondContact O-CG1 3.31Å; R175-I179 PolarHBondContact O-N 2.77Å |
| 176 | F | 58.7 | Low | 55.4 | Low | 98 Ų | 98 | 92.1 Ų | 92.1 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 174.5 | -175.4 | -102.4 | 0 | 0 | 0 | 111.6 | D172 E173 I179 M180 | D172-F176 WeakPolarHBondContact O-CB 3.46Å; D172-F176 PolarHBondContact O-N 3.15Å; E173-F176 PolarHBondContact O-N 2.83Å; F176-I179 PolarHBondContact O-N 3.41Å; F176-M180 HydrophobicContact CD1-CG 4.42Å; F176-M180 HydrophobicContact CD1-SD 3.79Å; F176-M180 HydrophobicContact CE1-CG 4.11Å; F176-M180 HydrophobicContact CE1-SD 3.07Å; F176-M180 WeakPolarHBondContact CE1-SD 3.37Å; F176-M180 HydrophobicContact CE2-SD 4.28Å; F176-M180 HydrophobicContact CZ-CG 4.15Å; F176-M180 HydrophobicContact CZ-SD 3.36Å; F176-M180 WeakPolarHBondContact CZ-SD 3.16Å; F176-M180 WeakPolarHBondContact O-CB 3.19Å; F176-M180 PolarHBondContact O-N 2.71Å |
| 177 | L | 60.2 | Low | 54.6 | Low | 106 Ų | 106 | 96.3 Ų | 96.3 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 174.1 | -70.5 | 174.2 | 0 | 0 | 0 | 111.8 | E173 I179 M180 D181 | E173-L177 WeakPolarHBondContact O-CB 3.44Å; E173-L177 WeakPolarHBondContact O-CG 3.28Å; E173-L177 PolarHBondContact O-N 2.85Å; L177-I179 VanDerWaalsContact C-N 3.28Å; L177-I179 PolarHBondContact O-N 2.94Å; L177-M180 CarbonylContact O-C 3.04Å; L177-M180 PolarHBondContact O-N 3.41Å; L177-D181 WeakPolarHBondContact O-CB 3Å; L177-D181 PolarHBondContact O-N 2.93Å |
| 178 | S | 59.9 | Low | 54.1 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -31.5 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 113.3 | N174 R175 A182 | N174-S178 VanDerWaalsContact O-CB 3.28Å; N174-S178 WeakPolarHBondContact O-CB 3.41Å; N174-S178 PolarHBondContact O-N 3.48Å; R175-S178 PolarHBondContact O-N 3.03Å; S178-A182 WeakPolarHBondContact O-CB 3.4Å; S178-A182 PolarHBondContact O-N 3.43Å |
| 179 | I | 59.5 | Low | 53.7 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 45% | 0.446 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -80.5 | -35.7 | 177.4 | -67.8 | 165.5 | 0 | 0 | 0 | 110.8 | R175 F176 L177 A182 P183 | R175-I179 HydrophobicContact CG-CD1 4.04Å; R175-I179 WeakPolarHBondContact O-CB 3.16Å; R175-I179 WeakPolarHBondContact O-CD1 3.22Å; R175-I179 WeakPolarHBondContact O-CG1 3.31Å; R175-I179 PolarHBondContact O-N 2.77Å; F176-I179 PolarHBondContact O-N 3.41Å; L177-I179 VanDerWaalsContact C-N 3.28Å; L177-I179 PolarHBondContact O-N 2.94Å; I179-A182 WeakPolarHBondContact O-CB 3.49Å; I179-A182 PolarHBondContact O-N 2.86Å; I179-P183 WeakPolarHBondContact O-CD 3.43Å |
| 180 | M | 57.6 | Low | 52.8 | Low | 117 Ų | 117 | 110.5 Ų | 110.5 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75 | -20.9 | 173.2 | -79.3 | -170.7 | 73.4 | 0 | 0 | 114.2 | F176 L177 P183 | F176-M180 HydrophobicContact CD1-CG 4.42Å; F176-M180 HydrophobicContact CD1-SD 3.79Å; F176-M180 HydrophobicContact CE1-CG 4.11Å; F176-M180 HydrophobicContact CE1-SD 3.07Å; F176-M180 WeakPolarHBondContact CE1-SD 3.37Å; F176-M180 HydrophobicContact CE2-SD 4.28Å; F176-M180 HydrophobicContact CZ-CG 4.15Å; F176-M180 HydrophobicContact CZ-SD 3.36Å; F176-M180 WeakPolarHBondContact CZ-SD 3.16Å; F176-M180 WeakPolarHBondContact O-CB 3.19Å; F176-M180 PolarHBondContact O-N 2.71Å; L177-M180 CarbonylContact O-C 3.04Å; L177-M180 PolarHBondContact O-N 3.41Å; M180-P183 WeakPolarHBondContact O-CD 3.46Å; M180-P183 WeakPolarHBondContact O-CG 3.17Å |
| 181 | D | 54.7 | Low | 52.1 | Low | 96 Ų | 96 | 114.5 Ų | 114.5 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -91.6 | -13.6 | 174 | -155.7 | 43.6 | 0 | 0 | 0 | 111.8 | L177 | L177-D181 WeakPolarHBondContact O-CB 3Å; L177-D181 PolarHBondContact O-N 2.93Å |
| 182 | A | 54.4 | Low | 51.1 | Low | 64 Ų | 64 | 113.3 Ų | 113.3 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -18.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | S178 I179 E184 | S178-A182 WeakPolarHBondContact O-CB 3.4Å; S178-A182 PolarHBondContact O-N 3.43Å; I179-A182 WeakPolarHBondContact O-CB 3.49Å; I179-A182 PolarHBondContact O-N 2.86Å; A182-E184 VanDerWaalsContact C-N 3.29Å; A182-E184 PolarHBondContact O-N 3.03Å |
| 183 | P | 52.4 | Low | 50.2 | Low | 97 Ų | 97 | 117.7 Ų | 117.7 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -8 | 175.9 | 31.6 | -28.7 | 0 | 0 | 0 | 113.5 | I179 M180 | I179-P183 WeakPolarHBondContact O-CD 3.43Å; M180-P183 WeakPolarHBondContact O-CD 3.46Å; M180-P183 WeakPolarHBondContact O-CG 3.17Å |
| 184 | E | 44.5 | Very low | 49.9 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -17.2 | 176.2 | -70.4 | -164.8 | 160.2 | 0 | 0 | 114.4 | A182 T186 | A182-E184 VanDerWaalsContact C-N 3.29Å; A182-E184 PolarHBondContact O-N 3.03Å; E184-T186 PolarHBondContact O-N 2.88Å; E184-T186 VanDerWaalsContact O-N 3.1Å |
| 185 | R | 44.2 | Very low | 49.2 | Very low | 201 Ų | 201 | 122.1 Ų | 122.1 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | trans | -89.1 | 65.6 | 172.1 | -68.2 | -87.5 | 166 | 77.2 | 5.1 | 109.7 | P187 | R185-P187 VanDerWaalsContact O-CD 3.28Å; R185-P187 WeakPolarHBondContact O-CD 3.29Å; R185-P187 VanDerWaalsContact O-N 3.13Å | ||
| 186 | T | 41.3 | Very low | 48.6 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -43.9 | 119.4 | 153.1 | 34.5 | 0 | 0 | 0 | 0 | 108 | E184 F188 | E184-T186 PolarHBondContact O-N 2.88Å; E184-T186 VanDerWaalsContact O-N 3.1Å; T186-F188 PolarHBondContact O-N 3.15Å | ||
| 187 | P | 41.1 | Very low | 48.3 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -55.7 | 116.9 | 162 | -18.2 | 30.8 | 0 | 0 | 0 | 105.6 | R185 V189 | R185-P187 VanDerWaalsContact O-CD 3.28Å; R185-P187 WeakPolarHBondContact O-CD 3.29Å; R185-P187 VanDerWaalsContact O-N 3.13Å; P187-V189 VanDerWaalsContact C-N 3.27Å; P187-V189 PolarHBondContact O-N 3.38Å | ||
| 188 | F | 41.9 | Very low | 48 | Very low | 173 Ų | 173 | 124.3 Ų | 124.3 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -61.2 | 91.7 | 179.8 | -174.3 | -98.5 | 0 | 0 | 0 | 108.2 | T186 Q190 | T186-F188 PolarHBondContact O-N 3.15Å; F188-Q190 VanDerWaalsContact C-N 3.35Å; F188-Q190 HydrophobicContact CD1-CG 3.84Å; F188-Q190 HydrophobicContact CE1-CG 3.69Å; F188-Q190 PolarHBondContact O-N 3.36Å | ||
| 189 | V | 47.6 | Very low | 47.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -70 | 98.8 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 105.7 | P187 | P187-V189 VanDerWaalsContact C-N 3.27Å; P187-V189 PolarHBondContact O-N 3.38Å | ||
| 190 | Q | 41.9 | Very low | 47.1 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | -53.8 | 135.9 | 167.8 | -82.9 | 178.5 | -8.5 | 0 | 0 | 110 | F188 | F188-Q190 VanDerWaalsContact C-N 3.35Å; F188-Q190 HydrophobicContact CD1-CG 3.84Å; F188-Q190 HydrophobicContact CE1-CG 3.69Å; F188-Q190 PolarHBondContact O-N 3.36Å | ||
| 191 | P | 42.9 | Very low | 47.1 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -85.5 | 115.6 | 170.1 | 27.8 | -22.3 | 0 | 0 | 0 | 111.5 | ||||
| 192 | G | 33.7 | Very low | 46.6 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 101.4 | 154.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 193 | P | 38.4 | Very low | 46.3 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -119.9 | 164.1 | 13.4 | 34.6 | -17.8 | 0 | 0 | 0 | 115 | S195 | P193-S195 PolarHBondContact O-N 3.11Š| ||
| 194 | L | 52.8 | Low | 46 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 79% | 0.787 | S | S | * | * | trans | -48.7 | 124.6 | 168.8 | -63 | 165.6 | 0 | 0 | 0 | 111.1 | ||||
| 195 | S | 44.9 | Very low | 46 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -134.1 | 104 | 162.8 | -168.6 | 0 | 0 | 0 | 0 | 108.6 | P193 | P193-S195 PolarHBondContact O-N 3.11Š| ||
| 196 | D | 48.2 | Very low | 46.1 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -51.7 | 138.8 | 160.5 | -76.4 | -46 | 0 | 0 | 0 | 109.9 | ||||
| 197 | G | 51.3 | Low | 46.2 | Very low | 60 Ų | 60 | 136.3 Ų | 136.3 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | 156.3 | 94.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 198 | Q | 53.9 | Low | 46.1 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 41.8 | 97.7 | 142.4 | -114.2 | 85.7 | -28.8 | 0 | 0 | 118.2 | ||||
| 199 | F | 44.2 | Very low | 46.2 | Very low | 207 Ų | 207 | 133.8 Ų | 133.8 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -113.8 | 106.3 | 148.7 | -106.2 | -90.4 | 0 | 0 | 0 | 109 | ||||
| 200 | Y | 56.1 | Low | 46.3 | Very low | 215 Ų | 215 | 134.8 Ų | 134.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -111.2 | 119.5 | 164.1 | -121.4 | -86.6 | 0 | 0 | 0 | 107 | ||||
| 201 | S | 58.8 | Low | 46.6 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -142.5 | 144.1 | 151.9 | -81.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 202 | P | 44.8 | Very low | 46.8 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -95.3 | 175.7 | -146.7 | -1.9 | 24.7 | 0 | 0 | 0 | 113.8 | ||||
| 203 | P | 47.9 | Very low | 47.2 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -78 | 164.5 | -173.7 | 34.2 | -34.1 | 0 | 0 | 0 | 113.7 | ||||
| 204 | E | 46 | Very low | 47.6 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -23.1 | 145.4 | -179.9 | -74.5 | 176 | 83.4 | 0 | 0 | 119.7 | ||||
| 205 | S | 44.8 | Very low | 47.2 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -130.5 | 110.2 | 151.3 | 164 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 206 | V | 45.4 | Very low | 46.9 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -96.7 | 159.2 | 160.1 | -73.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 207 | A | 43.8 | Very low | 46.8 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 84.5 | 132.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 208 | D | 39.3 | Very low | 46 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | cis | -167.4 | 118.2 | 38.8 | -158.8 | 21.2 | 0 | 0 | 0 | 108.2 | ||||
| 209 | S | 43.4 | Very low | 45.6 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | 60.3 | 106.8 | 106.3 | -40.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 210 | D | 49.5 | Very low | 45.7 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 28.6 | 121.7 | 132.5 | -44.6 | -25.3 | 0 | 0 | 0 | 121.7 | ||||
| 211 | E | 48.5 | Very low | 45.2 | Very low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -142.8 | 122.7 | 146.1 | -62.6 | -83 | 148 | 0 | 0 | 109.2 | ||||
| 212 | E | 46.3 | Very low | 44.5 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -52.3 | 157.5 | 176 | -68.5 | 166.3 | 105 | 0 | 0 | 114.3 | ||||
| 213 | L | 43.1 | Very low | 44.2 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | 175.8 | 122.4 | 116.2 | -96.3 | 160.1 | 0 | 0 | 0 | 114.9 | |||||
| 214 | L | 47 | Very low | 44.1 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 101.1 | 82.6 | 146.1 | -56.6 | 171.4 | 0 | 0 | 0 | 119.5 | ||||
| 215 | E | 43.4 | Very low | 43.9 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | -12.9 | 150 | 122.7 | -87.7 | 176.8 | 91.9 | 0 | 0 | 119.2 | |||||
| 216 | D | 40 | Very low | 43.9 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | 97.6 | 98.7 | 142.2 | -153.4 | 45.3 | 0 | 0 | 0 | 119.4 | ||||
| 217 | K | 44.5 | Very low | 43.8 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | 168.7 | 108.1 | 110.6 | -94.9 | -169.2 | 168.9 | -178.1 | 0 | 110.9 | |||||
| 218 | H | 35.7 | Very low | 43.8 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | 91.5 | 103.5 | 87.9 | -140.3 | 75 | 0 | 0 | 0 | 113.1 | |||||
| 219 | D | 45.7 | Very low | 44.1 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -100.6 | 134.5 | 148.7 | -158.2 | 5.4 | 0 | 0 | 0 | 104.5 | ||||
| 220 | P | 45.9 | Very low | 44.1 | Very low | 90 Ų | 90 | 159 Ų | 159 | 58% | 0.584 | 81% | 0.805 | S | S | * | * | -158.2 | 159 | 80.5 | 39.2 | -16.8 | 0 | 0 | 0 | 117.5 | |||||
| 221 | E | 45.8 | Very low | 43.8 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 53.2 | 132.1 | 139.6 | -128.7 | -165.2 | 132.8 | 0 | 0 | 123.3 | ||||
| 222 | K | 42.9 | Very low | 43.4 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 104.3 | 139.3 | 145.6 | -62.2 | -162.7 | 179.1 | -173.5 | 0 | 121.3 | ||||
| 223 | A | 39.7 | Very low | 43.2 | Very low | 83 Ų | 83 | 155.2 Ų | 155.2 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 96.3 | 107.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 224 | L | 45.4 | Very low | 43.2 | Very low | 164 Ų | 164 | 155.8 Ų | 155.8 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | 40.6 | 111.8 | 125.5 | -74.7 | 151.1 | 0 | 0 | 0 | 116.7 | |||||
| 225 | I | 42.7 | Very low | 42.9 | Very low | 242 Ų | 242 | 156.1 Ų | 156.1 | 100% | 1.241 | 80% | 0.795 | S | S | * | * | -163.9 | 0 | 98 | -82.5 | 147.1 | 0 | 0 | 0 | 107.9 |
Retrieved 225 of 225 residues in 1012.9 ms
(Link to these results)