| 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 | 40.7 | Very low | 44.9 | Very low | 243 Ų | 243 | 163.1 Ų | 163.1 | 100% | 1.197 | 84% | 0.844 | S | S | * | * | 0 | 118.6 | 0 | -74 | -136.8 | -99.4 | 0 | 0 | 108.8 | |||||
| 2 | A | 48.1 | Very low | 45.4 | Very low | 98 Ų | 98 | 159.3 Ų | 159.3 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -87.4 | 142.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3 | Q | 42.4 | Very low | 46.3 | Very low | 186 Ų | 186 | 155.9 Ų | 155.9 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | trans | -149.5 | 94.1 | 158.4 | -61.2 | -172.1 | 26.9 | 0 | 0 | 107.5 | ||||
| 4 | R | 45.2 | Very low | 47.1 | Very low | 243 Ų | 243 | 154.9 Ų | 154.9 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | 60.5 | 97.2 | 99.8 | -78.4 | -164.5 | -177.8 | -133.5 | 2.4 | 116 | |||||
| 5 | L | 47 | Very low | 47.6 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | 21.6 | 117.5 | 132.6 | -59.7 | 170.5 | 0 | 0 | 0 | 118.7 | ||||
| 6 | G | 42.1 | Very low | 48.7 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -128.3 | 92.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | W8 | G6-W8 PolarHBondContact O-N 3.28Š| ||
| 7 | E | 49.5 | Very low | 49.6 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -67 | 112.6 | 173.7 | -62.5 | -177.1 | 134 | 0 | 0 | 110 | A9 | E7-A9 PolarHBondContact O-N 3.39Š| ||
| 8 | W | 39.9 | Very low | 50.4 | Low | 248 Ų | 248 | 139.8 Ų | 139.8 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -91.1 | 94.8 | 166.6 | -70.9 | 78.5 | 0 | 0 | 0 | 108.8 | G6 | G6-W8 PolarHBondContact O-N 3.28Š| ||
| 9 | A | 38.6 | Very low | 51 | Low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 31.2 | 92 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | E7 G11 | E7-A9 PolarHBondContact O-N 3.39Å; A9-G11 PolarHBondContact O-N 3.46Å | ||
| 10 | R | 48.1 | Very low | 51.8 | Low | 230 Ų | 230 | 143.4 Ų | 143.4 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 118 | 148.3 | -79.1 | -176.3 | -102.7 | -136.6 | -3.4 | 107.6 | ||
| 11 | G | 52.6 | Low | 52.5 | Low | 60 Ų | 60 | 139 Ų | 139 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 147.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A9 S13 | A9-G11 PolarHBondContact O-N 3.46Å; G11-S13 PolarHBondContact O-N 2.94Å; G11-S13 VanDerWaalsContact O-N 3.14Å |
| 12 | P | 50.7 | Low | 54.1 | Low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.8 | -174.7 | 25 | -30.8 | 0 | 0 | 0 | 109.3 | D14 | P12-D14 PolarHBondContact O-N 3.33Š|
| 13 | S | 56.4 | Low | 55.3 | Low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -67.4 | -8.4 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 113 | G11 | G11-S13 PolarHBondContact O-N 2.94Å; G11-S13 VanDerWaalsContact O-N 3.14Å |
| 14 | D | 58.2 | Low | 56.7 | Low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | trans | -121.9 | 68.8 | -176.3 | -62.4 | -31.8 | 0 | 0 | 0 | 110.3 | P12 T16 | P12-D14 PolarHBondContact O-N 3.33Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 PolarHBondContact O-N 3.2Å | ||
| 15 | A | 53.9 | Low | 57.9 | Low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | trans | -70.9 | 92.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | T | 65.8 | Low | 59 | Low | 83 Ų | 83 | 122 Ų | 122 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | trans | -43.8 | 139 | 168.9 | 44.4 | 0 | 0 | 0 | 0 | 110.3 | D14 L18 Y19 | D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 PolarHBondContact O-N 3.2Å; T16-L18 PolarHBondContact O-N 3.18Å; T16-Y19 PolarHBondContact O-N 2.89Å | ||
| 17 | G | 63.6 | Low | 60.2 | Low | 57 Ų | 57 | 121.5 Ų | 121.5 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -52.2 | -19.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R20 A21 | G17-R20 PolarHBondContact O-N 2.93Å; G17-A21 WeakPolarHBondContact O-CB 3.47Å; G17-A21 PolarHBondContact O-N 3.36Å |
| 18 | L | 64.1 | Low | 61.2 | Low | 133 Ų | 133 | 115.7 Ų | 115.7 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.9 | -45.2 | 173.1 | -60.8 | 177.3 | 0 | 0 | 0 | 113.2 | T16 R20 A21 V22 | T16-L18 PolarHBondContact O-N 3.18Å; L18-R20 PolarHBondContact O-N 3.03Å; L18-A21 PolarHBondContact O-N 3.5Å; L18-V22 WeakPolarHBondContact O-CB 3.5Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.02Å |
| 19 | Y | 62.3 | Low | 62.5 | Low | 168 Ų | 168 | 108.6 Ų | 108.6 | 66% | 0.659 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.2 | -39.6 | 178.5 | -91.2 | -84.5 | 0 | 0 | 0 | 112 | T16 V22 L23 | T16-Y19 PolarHBondContact O-N 2.89Å; Y19-V22 PolarHBondContact O-N 3.46Å; Y19-L23 PolarHBondContact O-N 3.31Å |
| 20 | R | 66.4 | Low | 63.2 | Low | 184 Ų | 184 | 112.4 Ų | 112.4 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.8 | -39.8 | 175.4 | -168.2 | 176.7 | -178.9 | -179.1 | -0.9 | 111.4 | G17 L18 L23 L24 | G17-R20 PolarHBondContact O-N 2.93Å; L18-R20 PolarHBondContact O-N 3.03Å; R20-L23 PolarHBondContact O-N 3.15Å; R20-L24 HydrophobicContact CG-CD1 4.12Å; R20-L24 WeakPolarHBondContact O-CB 3.22Å; R20-L24 VanDerWaalsContact O-CG 3.28Å; R20-L24 WeakPolarHBondContact O-CG 3.37Å; R20-L24 PolarHBondContact O-N 2.97Å |
| 21 | A | 67.8 | Low | 63.9 | Low | 51 Ų | 51 | 104.9 Ų | 104.9 | 42% | 0.421 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G17 L18 L24 R25 | G17-A21 WeakPolarHBondContact O-CB 3.47Å; G17-A21 PolarHBondContact O-N 3.36Å; L18-A21 PolarHBondContact O-N 3.5Å; A21-L24 PolarHBondContact O-N 3.39Å; A21-R25 WeakPolarHBondContact O-CB 3.38Å; A21-R25 PolarHBondContact O-N 3.15Å |
| 22 | V | 72.9 | Confident | 63.9 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 58% | 0.582 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -44 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L18 Y19 R25 S26 | L18-V22 WeakPolarHBondContact O-CB 3.5Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.02Å; Y19-V22 PolarHBondContact O-N 3.46Å; V22-R25 PolarHBondContact O-N 3.41Å; V22-S26 WeakPolarHBondContact O-CB 3.46Å; V22-S26 PolarHBondContact O-N 3.03Å; V22-S26 PolarHBondContact O-OG 3.49Å; V22-S26 VanDerWaalsContact O-OG 3.12Å |
| 23 | L | 74.1 | Confident | 64.2 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 63% | 0.628 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65 | -40.8 | 175.6 | -86.1 | 156.8 | 0 | 0 | 0 | 113 | Y19 R20 S26 A27 | Y19-L23 PolarHBondContact O-N 3.31Å; R20-L23 PolarHBondContact O-N 3.15Å; L23-S26 WeakPolarHBondContact CA-OG 3.39Å; L23-S26 PolarHBondContact O-OG 2.75Å; L23-A27 VanDerWaalsContact O-CB 3.29Å; L23-A27 WeakPolarHBondContact O-CB 3.25Å; L23-A27 PolarHBondContact O-N 2.97Å |
| 24 | L | 71 | Confident | 64.2 | Low | 110 Ų | 110 | 105 Ų | 105 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.3 | -37.6 | 176.3 | -73 | 168.7 | 0 | 0 | 0 | 111.6 | R20 A21 A27 A28 | R20-L24 HydrophobicContact CG-CD1 4.12Å; R20-L24 WeakPolarHBondContact O-CB 3.22Å; R20-L24 VanDerWaalsContact O-CG 3.28Å; R20-L24 WeakPolarHBondContact O-CG 3.37Å; R20-L24 PolarHBondContact O-N 2.97Å; A21-L24 PolarHBondContact O-N 3.39Å; L24-A27 PolarHBondContact O-N 3.16Å; L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 3.44Å |
| 25 | R | 71.4 | Confident | 64.2 | Low | 192 Ų | 192 | 107.2 Ų | 107.2 | 73% | 0.725 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.4 | -38.2 | 178.2 | -161.6 | 172 | -172.7 | -133.6 | 1 | 111.7 | A21 V22 A28 M29 | A21-R25 WeakPolarHBondContact O-CB 3.38Å; A21-R25 PolarHBondContact O-N 3.15Å; V22-R25 PolarHBondContact O-N 3.41Å; R25-A28 PolarHBondContact O-N 3.3Å; R25-M29 WeakPolarHBondContact O-CB 3.42Å; R25-M29 VanDerWaalsContact O-CG 3.22Å; R25-M29 WeakPolarHBondContact O-CG 3.33Å; R25-M29 PolarHBondContact O-N 2.92Å |
| 26 | S | 69.4 | Low | 64 | Low | 58 Ų | 58 | 109.5 Ų | 109.5 | 41% | 0.406 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -38.7 | 173.2 | 64.3 | 0 | 0 | 0 | 0 | 112 | V22 L23 M29 Y30 | V22-S26 WeakPolarHBondContact O-CB 3.46Å; V22-S26 PolarHBondContact O-N 3.03Å; V22-S26 PolarHBondContact O-OG 3.49Å; V22-S26 VanDerWaalsContact O-OG 3.12Å; L23-S26 WeakPolarHBondContact CA-OG 3.39Å; L23-S26 PolarHBondContact O-OG 2.75Å; S26-M29 PolarHBondContact O-N 2.92Å; S26-Y30 PolarHBondContact O-N 2.73Å |
| 27 | A | 67.4 | Low | 63.4 | Low | 53 Ų | 53 | 114.1 Ų | 114.1 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.7 | -37.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L23 L24 S31 | L23-A27 VanDerWaalsContact O-CB 3.29Å; L23-A27 WeakPolarHBondContact O-CB 3.25Å; L23-A27 PolarHBondContact O-N 2.97Å; L24-A27 PolarHBondContact O-N 3.16Å; A27-S31 PolarHBondContact O-N 3.42Å; A27-S31 PolarHBondContact O-OG 3.06Å |
| 28 | A | 71.4 | Confident | 63.1 | Low | 45 Ų | 45 | 115 Ų | 115 | 37% | 0.372 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.7 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L24 R25 Y30 S31 E32 | L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 3.44Å; R25-A28 PolarHBondContact O-N 3.3Å; A28-Y30 VanDerWaalsContact C-N 3.31Å; A28-Y30 PolarHBondContact O-N 3.03Å; A28-S31 CarbonylContact O-C 3.57Å; A28-S31 WeakPolarHBondContact O-CA 3.42Å; A28-S31 WeakPolarHBondContact O-CB 3.27Å; A28-S31 PolarHBondContact O-N 3.46Å; A28-E32 PolarHBondContact O-N 3.03Å |
| 29 | M | 66.3 | Low | 62.5 | Low | 99 Ų | 99 | 114.5 Ų | 114.5 | 49% | 0.488 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.9 | -42.9 | 174.5 | -75.1 | -72.1 | -66.3 | 0 | 0 | 111.9 | R25 S26 S31 E32 I33 | R25-M29 WeakPolarHBondContact O-CB 3.42Å; R25-M29 VanDerWaalsContact O-CG 3.22Å; R25-M29 WeakPolarHBondContact O-CG 3.33Å; R25-M29 PolarHBondContact O-N 2.92Å; S26-M29 PolarHBondContact O-N 2.92Å; M29-S31 PolarHBondContact O-N 3.34Å; M29-E32 PolarHBondContact O-N 3.28Å; M29-I33 WeakPolarHBondContact O-CD1 3.28Å; M29-I33 WeakPolarHBondContact O-CG1 3.15Å; M29-I33 PolarHBondContact O-N 2.94Å |
| 30 | Y | 54.3 | Low | 62.1 | Low | 172 Ų | 172 | 111.3 Ų | 111.3 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -31.3 | 175.7 | -102.7 | -89.3 | 0 | 0 | 0 | 112.9 | S26 A28 Q34 | S26-Y30 PolarHBondContact O-N 2.73Å; A28-Y30 VanDerWaalsContact C-N 3.31Å; A28-Y30 PolarHBondContact O-N 3.03Å; Y30-Q34 VanDerWaalsContact O-CG 3.26Å; Y30-Q34 WeakPolarHBondContact O-CG 3.26Å |
| 31 | S | 61.8 | Low | 61.5 | Low | 73 Ų | 73 | 106 Ų | 106 | 51% | 0.51 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -77.4 | -35.9 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 112 | A27 A28 M29 Q34 R35 | A27-S31 PolarHBondContact O-N 3.42Å; A27-S31 PolarHBondContact O-OG 3.06Å; A28-S31 CarbonylContact O-C 3.57Å; A28-S31 WeakPolarHBondContact O-CA 3.42Å; A28-S31 WeakPolarHBondContact O-CB 3.27Å; A28-S31 PolarHBondContact O-N 3.46Å; M29-S31 PolarHBondContact O-N 3.34Å; S31-Q34 PolarHBondContact O-N 3.37Å; S31-R35 PolarHBondContact O-N 2.82Å |
| 32 | E | 53.7 | Low | 60.7 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67 | -44.1 | 174.6 | -77.7 | 170.4 | 175.3 | 0 | 0 | 112 | A28 M29 Q34 R35 E36 | A28-E32 PolarHBondContact O-N 3.03Å; M29-E32 PolarHBondContact O-N 3.28Å; E32-Q34 PolarHBondContact O-N 3.37Å; E32-R35 CarbonylContact O-C 3.56Å; E32-R35 WeakPolarHBondContact O-CA 3.49Å; E32-R35 WeakPolarHBondContact O-CB 3.38Å; E32-R35 PolarHBondContact O-N 2.89Å; E32-E36 PolarHBondContact O-N 3.1Å |
| 33 | I | 56.3 | Low | 59.7 | Low | 75 Ų | 75 | 109.9 Ų | 109.9 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.3 | -34 | 176.7 | -69.6 | 161.9 | 0 | 0 | 0 | 112 | M29 R37 | M29-I33 WeakPolarHBondContact O-CD1 3.28Å; M29-I33 WeakPolarHBondContact O-CG1 3.15Å; M29-I33 PolarHBondContact O-N 2.94Å; I33-R37 PolarHBondContact O-N 3.34Å |
| 34 | Q | 55.9 | Low | 58.5 | Low | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -77 | -26.7 | 176.4 | -61.9 | -68.9 | 3.6 | 0 | 0 | 112.5 | Y30 S31 E32 | Y30-Q34 VanDerWaalsContact O-CG 3.26Å; Y30-Q34 WeakPolarHBondContact O-CG 3.26Å; S31-Q34 PolarHBondContact O-N 3.37Å; E32-Q34 PolarHBondContact O-N 3.37Å |
| 35 | R | 57.7 | Low | 57.8 | Low | 186 Ų | 186 | 111 Ų | 111 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.3 | -42.8 | 171.8 | -75.9 | 178.3 | 171.4 | 175.3 | -2.7 | 111.8 | S31 E32 R37 A38 D39 | S31-R35 PolarHBondContact O-N 2.82Å; E32-R35 CarbonylContact O-C 3.56Å; E32-R35 WeakPolarHBondContact O-CA 3.49Å; E32-R35 WeakPolarHBondContact O-CB 3.38Å; E32-R35 PolarHBondContact O-N 2.89Å; R35-R37 PolarHBondContact O-N 2.93Å; R35-A38 WeakPolarHBondContact O-CA 3.32Å; R35-A38 WeakPolarHBondContact O-CB 3.46Å; R35-A38 PolarHBondContact O-N 2.85Å; R35-D39 PolarHBondContact O-N 3.3Å |
| 36 | E | 50.6 | Low | 57.1 | Low | 124 Ų | 124 | 113 Ų | 113 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -56.7 | -37.6 | 175.4 | -79.9 | -170.9 | 151.8 | 0 | 0 | 111.9 | E32 A38 D39 I40 | E32-E36 PolarHBondContact O-N 3.1Å; E36-A38 PolarHBondContact O-N 3.37Å; E36-D39 PolarHBondContact O-N 2.9Å; E36-D39 VanDerWaalsContact O-N 3.09Å; E36-I40 WeakPolarHBondContact O-CD1 3.13Å; E36-I40 WeakPolarHBondContact O-CG1 3.28Å; E36-I40 PolarHBondContact O-N 3.24Å |
| 37 | R | 54.2 | Low | 56.7 | Low | 179 Ų | 179 | 114.3 Ų | 114.3 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.1 | -27 | 173.6 | -79.8 | 178.6 | 171.1 | -170.6 | -3 | 114.3 | I33 R35 | I33-R37 PolarHBondContact O-N 3.34Å; R35-R37 PolarHBondContact O-N 2.93Å |
| 38 | A | 56.3 | Low | 55.9 | Low | 77 Ų | 77 | 121.1 Ų | 121.1 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.4 | -31.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R35 E36 | R35-A38 WeakPolarHBondContact O-CA 3.32Å; R35-A38 WeakPolarHBondContact O-CB 3.46Å; R35-A38 PolarHBondContact O-N 2.85Å; E36-A38 PolarHBondContact O-N 3.37Å |
| 39 | D | 52.3 | Low | 55.2 | Low | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84 | -22.8 | -178.9 | -67.4 | -29.4 | 0 | 0 | 0 | 113.6 | R35 E36 G41 G42 | R35-D39 PolarHBondContact O-N 3.3Å; E36-D39 PolarHBondContact O-N 2.9Å; E36-D39 VanDerWaalsContact O-N 3.09Å; D39-G41 PolarHBondContact O-N 3.19Å; D39-G42 PolarHBondContact O-N 3.14Å; D39-G42 VanDerWaalsContact O-N 3.14Å |
| 40 | I | 52.2 | Low | 54.6 | Low | 101 Ų | 101 | 133.9 Ų | 133.9 | 52% | 0.518 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -60.4 | -18 | 175.9 | -71.7 | 162.9 | 0 | 0 | 0 | 112.7 | E36 G42 | E36-I40 WeakPolarHBondContact O-CD1 3.13Å; E36-I40 WeakPolarHBondContact O-CG1 3.28Å; E36-I40 PolarHBondContact O-N 3.24Å; I40-G42 PolarHBondContact O-N 3.04Å |
| 41 | G | 55.3 | Low | 54.8 | Low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -63.9 | -17.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D39 | D39-G41 PolarHBondContact O-N 3.19Š|
| 42 | G | 49.8 | Very low | 54.5 | Low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -96.3 | -10.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D39 I40 | D39-G42 PolarHBondContact O-N 3.14Å; D39-G42 VanDerWaalsContact O-N 3.14Å; I40-G42 PolarHBondContact O-N 3.04Å |
| 43 | L | 52.3 | Low | 55.1 | Low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -110.2 | 7 | -170.4 | -90.2 | 142.7 | 0 | 0 | 0 | 114.8 | A45 | L43-A45 PolarHBondContact O-N 2.77Å; L43-A45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | M | 50.1 | Low | 55.7 | Low | 165 Ų | 165 | 139.6 Ų | 139.6 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -76.2 | 106 | 171.7 | -76.4 | -159.4 | 164.6 | 0 | 0 | 109.8 | R46 | M44-R46 PolarHBondContact O-N 3.46Å; M44-R46 VanDerWaalsContact O-N 3.11Å |
| 45 | A | 55.8 | Low | 56.4 | Low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | trans | -41.7 | 118.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L43 P47 | L43-A45 PolarHBondContact O-N 2.77Å; L43-A45 VanDerWaalsContact O-N 3.16Å; A45-P47 WeakPolarHBondContact O-CD 3.39Å; A45-P47 VanDerWaalsContact O-N 3.1Å | ||
| 46 | R | 57.1 | Low | 57.3 | Low | 234 Ų | 234 | 139.6 Ų | 139.6 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -58.2 | 113.3 | 172 | -172.6 | -177 | -175.1 | -154.8 | 1.9 | 106.5 | M44 E48 | M44-R46 PolarHBondContact O-N 3.46Å; M44-R46 VanDerWaalsContact O-N 3.11Å; R46-E48 PolarHBondContact O-N 3.27Å | ||
| 47 | P | 60.7 | Low | 58.7 | Low | 85 Ų | 85 | 141.8 Ų | 141.8 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | trans | -68.3 | 116.7 | -179.9 | -10.2 | 24.6 | 0 | 0 | 0 | 107.1 | A45 Y49 | A45-P47 WeakPolarHBondContact O-CD 3.39Å; A45-P47 VanDerWaalsContact O-N 3.1Å; P47-Y49 HydrophobicContact CB-CD2 3.79Å; P47-Y49 HydrophobicContact CB-CE2 3.52Å; P47-Y49 HydrophobicContact CG-CD2 4.46Å; P47-Y49 HydrophobicContact CG-CE2 3.89Å; P47-Y49 WeakPolarHBondContact O-CD2 3.2Å; P47-Y49 PolarHBondContact O-N 3.38Å | ||
| 48 | E | 50.1 | Low | 59.7 | Low | 195 Ų | 195 | 138.8 Ų | 138.8 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | trans | -65.8 | 89.1 | 167.9 | -73.3 | 171.5 | 169 | 0 | 0 | 107.5 | R46 R50 | R46-E48 PolarHBondContact O-N 3.27Å; E48-R50 PolarHBondContact O-N 2.81Å | ||
| 49 | Y | 56.6 | Low | 60.9 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 70% | 0.698 | 73% | 0.729 | S | S | * | * | trans | -73.7 | 99.7 | 173.4 | -84.5 | -85 | 0 | 0 | 0 | 108.5 | P47 W52 | P47-Y49 HydrophobicContact CB-CD2 3.79Å; P47-Y49 HydrophobicContact CB-CE2 3.52Å; P47-Y49 HydrophobicContact CG-CD2 4.46Å; P47-Y49 HydrophobicContact CG-CE2 3.89Å; P47-Y49 WeakPolarHBondContact O-CD2 3.2Å; P47-Y49 PolarHBondContact O-N 3.38Å; Y49-W52 HydrophobicContact CD1-CZ3 4.34Å; Y49-W52 HydrophobicContact CE1-CZ3 4.41Å | ||
| 50 | R | 54.2 | Low | 62.1 | Low | 235 Ų | 235 | 143.9 Ų | 143.9 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | trans | -43.3 | 138.2 | 158.6 | -161.6 | -178.7 | -107.8 | -141.8 | -2 | 109.5 | E48 | E48-R50 PolarHBondContact O-N 2.81Š| ||
| 51 | E | 58.3 | Low | 63.3 | Low | 198 Ų | 198 | 148.5 Ų | 148.5 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 134.5 | -175.9 | -159.6 | 158.3 | -148.3 | 0 | 0 | 112.6 | ||
| 52 | W | 54.6 | Low | 64.5 | Low | 125 Ų | 125 | 152.5 Ų | 152.5 | 47% | 0.473 | 76% | 0.756 | S | S | . | * | P | Polyproline II helix | trans | -90.5 | 118.7 | -154.9 | -175.5 | -74.7 | 0 | 0 | 0 | 111.2 | Y49 P54 K58 | Y49-W52 HydrophobicContact CD1-CZ3 4.34Å; Y49-W52 HydrophobicContact CE1-CZ3 4.41Å; W52-P54 WeakPolarHBondContact O-CD 3.42Å; W52-K58 VanDerWaalsContact CD1-NZ 3.33Å; W52-K58 HydrophobicContact CH2-CD 3.8Å; W52-K58 HydrophobicContact CH2-CG 4.32Å; W52-K58 HydrophobicContact CZ2-CB 4.38Å; W52-K58 HydrophobicContact CZ2-CD 3.17Å; W52-K58 HydrophobicContact CZ2-CG 3.5Å; W52-K58 VanDerWaalsContact CZ2-CG 3.5Å |
| 53 | N | 66.8 | Low | 66 | Low | 110 Ų | 110 | 156.2 Ų | 156.2 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.5 | 171.8 | -108.6 | -26 | 0 | 0 | 0 | 110.4 | E55 L56 | N53-E55 PolarHBondContact O-N 2.83Å; N53-L56 HydrophobicContact CB-CD1 3.64Å |
| 54 | P | 68.6 | Low | 67.6 | Low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -11.3 | -176 | 27.7 | -32.9 | 0 | 0 | 0 | 114 | W52 | W52-P54 WeakPolarHBondContact O-CD 3.42Š|
| 55 | E | 71.1 | Confident | 69.2 | Low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -8 | -176.1 | -60.7 | -173.1 | 170.5 | 0 | 0 | 114.9 | N53 | N53-E55 PolarHBondContact O-N 2.83Š|
| 56 | L | 77.8 | Confident | 70.4 | Confident | 115 Ų | 115 | 148.4 Ų | 148.4 | 60% | 0.602 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -85.5 | 123 | 178.5 | -82 | 131.5 | 0 | 0 | 0 | 111.8 | N53 K58 | N53-L56 HydrophobicContact CB-CD1 3.64Å; L56-K58 PolarHBondContact O-N 3.47Å |
| 57 | I | 79 | Confident | 71.6 | Confident | 169 Ų | 169 | 143.9 Ų | 143.9 | 87% | 0.867 | 70% | 0.703 | S | S | * | * | trans | -60.8 | 111 | 171.3 | -61.8 | 174.3 | 0 | 0 | 0 | 108.7 | ||||
| 58 | K | 75.4 | Confident | 72.7 | Confident | 116 Ų | 116 | 143 Ų | 143 | 50% | 0.504 | 70% | 0.703 | S | S | . | * | trans | -78.1 | 137.3 | 177.7 | -38.8 | -165.8 | -172.6 | -158.1 | 0 | 109.8 | W52 L56 K60 | W52-K58 VanDerWaalsContact CD1-NZ 3.33Å; W52-K58 HydrophobicContact CH2-CD 3.8Å; W52-K58 HydrophobicContact CH2-CG 4.32Å; W52-K58 HydrophobicContact CZ2-CB 4.38Å; W52-K58 HydrophobicContact CZ2-CD 3.17Å; W52-K58 HydrophobicContact CZ2-CG 3.5Å; W52-K58 VanDerWaalsContact CZ2-CG 3.5Å; L56-K58 PolarHBondContact O-N 3.47Å; K58-K60 PolarHBondContact O-N 3.16Å | ||
| 59 | P | 81.4 | Confident | 74.6 | Confident | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | -58.1 | 128.5 | 166.6 | 24.3 | -31.7 | 0 | 0 | 0 | 109.4 | K61 | P59-K61 PolarHBondContact O-N 2.95Å; P59-K61 VanDerWaalsContact O-N 3.16Å | ||
| 60 | K | 77.3 | Confident | 76.1 | Confident | 185 Ų | 185 | 136.5 Ų | 136.5 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -65.2 | 115.6 | 178.7 | -173.6 | 175 | -178.1 | 176.8 | 0 | 108.6 | K58 L62 | K58-K60 PolarHBondContact O-N 3.16Å; K60-L62 PolarHBondContact O-N 2.68Å | ||
| 61 | K | 78.4 | Confident | 77.9 | Confident | 199 Ų | 199 | 129.4 Ų | 129.4 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | trans | -65.1 | 107.1 | 172.9 | -66.7 | -177.8 | -179.6 | -179.8 | 0 | 108.1 | P59 | P59-K61 PolarHBondContact O-N 2.95Å; P59-K61 VanDerWaalsContact O-N 3.16Å | ||
| 62 | L | 79.8 | Confident | 79.6 | Confident | 155 Ų | 155 | 124.3 Ų | 124.3 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 137.5 | 173.1 | -61.5 | 179.4 | 0 | 0 | 0 | 108.8 | K60 N64 | K60-L62 PolarHBondContact O-N 2.68Å; L62-N64 PolarHBondContact O-N 2.87Å |
| 63 | L | 81.6 | Confident | 81.4 | Confident | 149 Ų | 149 | 122.4 Ų | 122.4 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.2 | 174.3 | -65.6 | 173.3 | 0 | 0 | 0 | 108.3 | P65 A68 | L63-P65 WeakPolarHBondContact O-CD 3.49Å; L63-A68 HydrophobicContact CB-CB 4.47Å |
| 64 | N | 85.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 120.9 Ų | 120.9 | 45% | 0.449 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 119.1 | 174.5 | 175 | -12.7 | 0 | 0 | 0 | 108.3 | L62 V66 K67 A68 | L62-N64 PolarHBondContact O-N 2.87Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-V66 VanDerWaalsContact OD1-CB 3.31Å; N64-V66 WeakPolarHBondContact OD1-CB 3.28Å; N64-V66 PolarHBondContact OD1-N 3.41Å; N64-K67 HydrophobicContact CB-CB 4.08Å; N64-K67 HydrophobicContact CB-CG 4.17Å; N64-K67 CarbonylContact O-C 3.42Å; N64-K67 WeakPolarHBondContact O-CA 3.41Å; N64-K67 PolarHBondContact O-N 2.88Å; N64-A68 WeakPolarHBondContact O-CB 3.45Å; N64-A68 PolarHBondContact O-N 3.3Å |
| 65 | P | 84.1 | Confident | 83.5 | Confident | 97 Ų | 97 | 119.6 Ų | 119.6 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.1 | -32.7 | -176 | 23.1 | -33.8 | 0 | 0 | 0 | 113.2 | L63 K67 A68 S69 | L63-P65 WeakPolarHBondContact O-CD 3.49Å; P65-K67 VanDerWaalsContact C-N 3.29Å; P65-K67 PolarHBondContact O-N 3.25Å; P65-A68 PolarHBondContact O-N 2.92Å; P65-S69 PolarHBondContact O-N 3.43Å |
| 66 | V | 81.8 | Confident | 84.3 | Confident | 68 Ų | 68 | 116.1 Ų | 116.1 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.2 | -34.2 | 175 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | N64 | N64-V66 PolarHBondContact O-N 3.49Å; N64-V66 VanDerWaalsContact OD1-CB 3.31Å; N64-V66 WeakPolarHBondContact OD1-CB 3.28Å; N64-V66 PolarHBondContact OD1-N 3.41Å |
| 67 | K | 82.3 | Confident | 84.9 | Confident | 140 Ų | 140 | 119 Ų | 119 | 61% | 0.609 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -89.7 | -21.6 | 176.7 | -61.8 | -64.9 | -173.3 | 179.5 | 0 | 112.8 | N64 P65 Q73 | N64-K67 HydrophobicContact CB-CB 4.08Å; N64-K67 HydrophobicContact CB-CG 4.17Å; N64-K67 CarbonylContact O-C 3.42Å; N64-K67 WeakPolarHBondContact O-CA 3.41Å; N64-K67 PolarHBondContact O-N 2.88Å; P65-K67 VanDerWaalsContact C-N 3.29Å; P65-K67 PolarHBondContact O-N 3.25Å; K67-Q73 VanDerWaalsContact CA-NE2 3.27Å; K67-Q73 PolarHBondContact O-NE2 2.88Å |
| 68 | A | 83.8 | Confident | 85.3 | Confident | 67 Ų | 67 | 116.5 Ų | 116.5 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.1 | -34.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L63 N64 P65 R70 | L63-A68 HydrophobicContact CB-CB 4.47Å; N64-A68 WeakPolarHBondContact O-CB 3.45Å; N64-A68 PolarHBondContact O-N 3.3Å; P65-A68 PolarHBondContact O-N 2.92Å; A68-R70 PolarHBondContact O-N 2.9Å |
| 69 | S | 89.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 115.3 Ų | 115.3 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | trans | -81.7 | 106 | 177.3 | -178 | 0 | 0 | 0 | 0 | 111.7 | P65 S71 H72 Q73 | P65-S69 PolarHBondContact O-N 3.43Å; S69-S71 VanDerWaalsContact C-N 3.33Å; S69-S71 PolarHBondContact O-N 3.24Å; S69-H72 PolarHBondContact O-N 3.11Å; S69-H72 PolarHBondContact OG-N 3.41Å; S69-Q73 PolarHBondContact O-N 2.84Å | ||
| 70 | R | 88.2 | Confident | 85.9 | Confident | 184 Ų | 184 | 113.7 Ų | 113.7 | 69% | 0.694 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.7 | -43.4 | 174.5 | -178.3 | 177.7 | 170.6 | -173.7 | -5.8 | 112.2 | A68 H72 Q73 E74 | A68-R70 PolarHBondContact O-N 2.9Å; R70-H72 VanDerWaalsContact C-N 3.3Å; R70-H72 PolarHBondContact O-N 3.09Å; R70-Q73 PolarHBondContact O-N 3.47Å; R70-Q73 VanDerWaalsContact O-N 3.16Å; R70-E74 HydrophobicContact CG-CG 4.34Å; R70-E74 IonicContact CZ-OE1 3.29Å; R70-E74 VanDerWaalsContact CZ-OE1 3.29Å; R70-E74 IonicContact NE-OE1 2.67Å; R70-E74 PolarHBondContact NE-OE1 2.98Å; R70-E74 IonicContact NH2-OE1 2.99Å; R70-E74 PolarHBondContact NH2-OE1 3Å; R70-E74 WeakPolarHBondContact O-CG 3.45Å; R70-E74 PolarHBondContact O-N 3.19Å |
| 71 | S | 92 | Very high | 86 | Confident | 86 Ų | 86 | 108 Ų | 108 | 60% | 0.601 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.7 | -41.8 | 178.8 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | S69 E74 L75 | S69-S71 VanDerWaalsContact C-N 3.33Å; S69-S71 PolarHBondContact O-N 3.24Å; S71-E74 PolarHBondContact O-N 3.48Å; S71-L75 WeakPolarHBondContact O-CB 3.46Å; S71-L75 PolarHBondContact O-N 3.47Å |
| 72 | H | 93.4 | Very high | 86.1 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 178.4 | -173.6 | 88.2 | 0 | 0 | 0 | 112.2 | S69 R70 H76 | S69-H72 PolarHBondContact O-N 3.11Å; S69-H72 PolarHBondContact OG-N 3.41Å; R70-H72 VanDerWaalsContact C-N 3.3Å; R70-H72 PolarHBondContact O-N 3.09Å; H72-H76 WeakPolarHBondContact O-CB 3.14Å; H72-H76 PolarHBondContact O-N 3.21Å |
| 73 | Q | 92.3 | Very high | 85.8 | Confident | 84 Ų | 84 | 100 Ų | 100 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.9 | -63.7 | -173.6 | 11.4 | 0 | 0 | 112.3 | K67 S69 R70 H76 R77 | K67-Q73 VanDerWaalsContact CA-NE2 3.27Å; K67-Q73 PolarHBondContact O-NE2 2.88Å; S69-Q73 PolarHBondContact O-N 2.84Å; R70-Q73 PolarHBondContact O-N 3.47Å; R70-Q73 VanDerWaalsContact O-N 3.16Å; Q73-H76 PolarHBondContact O-N 3.4Å; Q73-R77 WeakPolarHBondContact O-CB 3.38Å; Q73-R77 PolarHBondContact O-N 2.91Å |
| 74 | E | 89.1 | Confident | 85.5 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 177.6 | -75.4 | 173.4 | 168.5 | 0 | 0 | 110.6 | R70 S71 H76 R77 E78 | R70-E74 HydrophobicContact CG-CG 4.34Å; R70-E74 IonicContact CZ-OE1 3.29Å; R70-E74 VanDerWaalsContact CZ-OE1 3.29Å; R70-E74 IonicContact NE-OE1 2.67Å; R70-E74 PolarHBondContact NE-OE1 2.98Å; R70-E74 IonicContact NH2-OE1 2.99Å; R70-E74 PolarHBondContact NH2-OE1 3Å; R70-E74 WeakPolarHBondContact O-CG 3.45Å; R70-E74 PolarHBondContact O-N 3.19Å; S71-E74 PolarHBondContact O-N 3.48Å; E74-H76 PolarHBondContact O-N 3.28Å; E74-R77 WeakPolarHBondContact O-CB 3.42Å; E74-R77 PolarHBondContact O-N 3.04Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-E78 WeakPolarHBondContact O-CG 3.21Å; E74-E78 PolarHBondContact O-N 3.15Å |
| 75 | L | 89 | Confident | 85.1 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 173.6 | 178.5 | 63 | 0 | 0 | 0 | 112 | S71 R77 E78 L79 | S71-L75 WeakPolarHBondContact O-CB 3.46Å; S71-L75 PolarHBondContact O-N 3.47Å; L75-R77 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 3.18Å; L75-E78 PolarHBondContact O-N 2.83Å; L75-L79 HydrophobicContact CD1-CD1 4.21Å; L75-L79 HydrophobicContact CD1-CG 4.13Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.39Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.46Å; L75-L79 PolarHBondContact O-N 2.81Å |
| 76 | H | 89.4 | Confident | 84.2 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 177.4 | 177.6 | 69.2 | 0 | 0 | 0 | 112 | H72 Q73 E74 L80 | H72-H76 WeakPolarHBondContact O-CB 3.14Å; H72-H76 PolarHBondContact O-N 3.21Å; Q73-H76 PolarHBondContact O-N 3.4Å; E74-H76 PolarHBondContact O-N 3.28Å; H76-L80 WeakPolarHBondContact NE2-CD1 3.41Å; H76-L80 WeakPolarHBondContact O-CG 3.28Å; H76-L80 PolarHBondContact O-N 3.38Å; H76-L80 VanDerWaalsContact O-N 3.11Å |
| 77 | R | 90.6 | Very high | 83.4 | Confident | 175 Ų | 175 | 107.8 Ų | 107.8 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 176.7 | -177 | -178.2 | 176.1 | -179.1 | -0.6 | 111.5 | Q73 E74 L75 L80 M81 | Q73-R77 WeakPolarHBondContact O-CB 3.38Å; Q73-R77 PolarHBondContact O-N 2.91Å; E74-R77 WeakPolarHBondContact O-CB 3.42Å; E74-R77 PolarHBondContact O-N 3.04Å; E74-R77 VanDerWaalsContact O-N 3.16Å; L75-R77 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 3.18Å; R77-L80 PolarHBondContact O-N 3.44Å; R77-M81 WeakPolarHBondContact O-CB 3.41Å; R77-M81 WeakPolarHBondContact O-CG 3.34Å; R77-M81 PolarHBondContact O-N 3.47Å |
| 78 | E | 86.1 | Confident | 82.2 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 178.6 | -74.7 | 178 | -177.2 | 0 | 0 | 112 | E74 L75 L80 M81 N82 | E74-E78 WeakPolarHBondContact O-CG 3.21Å; E74-E78 PolarHBondContact O-N 3.15Å; L75-E78 PolarHBondContact O-N 2.83Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.3Å; E78-M81 PolarHBondContact O-N 3.42Å; E78-M81 VanDerWaalsContact O-N 3.13Å; E78-N82 WeakPolarHBondContact O-CB 3.42Å; E78-N82 VanDerWaalsContact O-CG 3.29Å; E78-N82 PolarHBondContact O-N 3.02Å; E78-N82 PolarHBondContact O-ND2 3.43Å |
| 79 | L | 84.2 | Confident | 80.9 | Confident | 91 Ų | 91 | 105.5 Ų | 105.5 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.4 | -73.5 | 176.2 | 0 | 0 | 0 | 111.8 | L75 N82 H83 | L75-L79 HydrophobicContact CD1-CD1 4.21Å; L75-L79 HydrophobicContact CD1-CG 4.13Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.39Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.46Å; L75-L79 PolarHBondContact O-N 2.81Å; L79-N82 PolarHBondContact O-N 2.91Å; L79-H83 WeakPolarHBondContact O-CB 3.43Å; L79-H83 PolarHBondContact O-N 2.67Å |
| 80 | L | 84.9 | Confident | 79.2 | Confident | 86 Ų | 86 | 108.1 Ų | 108.1 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.2 | -73.3 | 177.6 | 0 | 0 | 0 | 112.3 | H76 R77 E78 R84 | H76-L80 WeakPolarHBondContact NE2-CD1 3.41Å; H76-L80 WeakPolarHBondContact O-CG 3.28Å; H76-L80 PolarHBondContact O-N 3.38Å; H76-L80 VanDerWaalsContact O-N 3.11Å; R77-L80 PolarHBondContact O-N 3.44Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.3Å; L80-R84 WeakPolarHBondContact O-CB 3.34Å; L80-R84 VanDerWaalsContact O-CG 3.27Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 2.93Å |
| 81 | M | 80.4 | Confident | 77.8 | Confident | 65 Ų | 65 | 103.4 Ų | 103.4 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 178.7 | -71.7 | -65.8 | 156.3 | 0 | 0 | 112.2 | R77 E78 R84 R85 | R77-M81 WeakPolarHBondContact O-CB 3.41Å; R77-M81 WeakPolarHBondContact O-CG 3.34Å; R77-M81 PolarHBondContact O-N 3.47Å; E78-M81 PolarHBondContact O-N 3.42Å; E78-M81 VanDerWaalsContact O-N 3.13Å; M81-R84 PolarHBondContact O-N 2.98Å; M81-R85 VanDerWaalsContact O-CB 3.31Å; M81-R85 WeakPolarHBondContact O-CB 3.36Å; M81-R85 WeakPolarHBondContact O-CG 3.49Å; M81-R85 PolarHBondContact O-N 3.32Å |
| 82 | N | 80.3 | Confident | 76.5 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 31% | 0.305 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 176.6 | -73.8 | -21.3 | 0 | 0 | 0 | 111.5 | E78 L79 R85 G86 L87 | E78-N82 WeakPolarHBondContact O-CB 3.42Å; E78-N82 VanDerWaalsContact O-CG 3.29Å; E78-N82 PolarHBondContact O-N 3.02Å; E78-N82 PolarHBondContact O-ND2 3.43Å; L79-N82 PolarHBondContact O-N 2.91Å; N82-R85 CarbonylContact O-C 3.51Å; N82-R85 PolarHBondContact O-N 3.43Å; N82-G86 PolarHBondContact O-N 2.95Å; N82-G86 VanDerWaalsContact O-N 3.14Å; N82-L87 CarbonylContact O-C 3.58Å; N82-L87 PolarHBondContact O-N 3.44Å |
| 83 | H | 73.6 | Confident | 75.6 | Confident | 131 Ų | 131 | 102.8 Ų | 102.8 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 174.2 | -175.8 | 71.4 | 0 | 0 | 0 | 111.8 | L79 R85 G86 | L79-H83 WeakPolarHBondContact O-CB 3.43Å; L79-H83 PolarHBondContact O-N 2.67Å; H83-R85 VanDerWaalsContact C-N 3.26Å; H83-R85 PolarHBondContact O-N 3.41Å; H83-G86 PolarHBondContact O-N 3.36Å; H83-G86 VanDerWaalsContact O-N 3.09Å |
| 84 | R | 75.5 | Confident | 74.7 | Confident | 197 Ų | 197 | 104.7 Ų | 104.7 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -32.1 | 175.2 | -76 | -180 | 67.4 | -171 | 1.5 | 113.4 | L80 M81 G86 | L80-R84 WeakPolarHBondContact O-CB 3.34Å; L80-R84 VanDerWaalsContact O-CG 3.27Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 2.93Å; M81-R84 PolarHBondContact O-N 2.98Å; R84-G86 VanDerWaalsContact C-N 3.29Å |
| 85 | R | 77.1 | Confident | 74.4 | Confident | 180 Ų | 180 | 106.9 Ų | 106.9 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -0.7 | 178.1 | -72.7 | 174.5 | 176.9 | -176.6 | -1.6 | 113.1 | M81 N82 H83 L87 | M81-R85 VanDerWaalsContact O-CB 3.31Å; M81-R85 WeakPolarHBondContact O-CB 3.36Å; M81-R85 WeakPolarHBondContact O-CG 3.49Å; M81-R85 PolarHBondContact O-N 3.32Å; N82-R85 CarbonylContact O-C 3.51Å; N82-R85 PolarHBondContact O-N 3.43Å; H83-R85 VanDerWaalsContact C-N 3.26Å; H83-R85 PolarHBondContact O-N 3.41Å; R85-L87 HydrophobicContact CB-CD1 4.4Å; R85-L87 HydrophobicContact CB-CG 4.34Å; R85-L87 PolarHBondContact O-N 3.1Å; R85-L87 VanDerWaalsContact O-N 3.14Å |
| 86 | G | 64.7 | Low | 74 | Confident | 66 Ų | 66 | 106.9 Ų | 106.9 | 68% | 0.68 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 10.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N82 H83 R84 G88 | N82-G86 PolarHBondContact O-N 2.95Å; N82-G86 VanDerWaalsContact O-N 3.14Å; H83-G86 PolarHBondContact O-N 3.36Å; H83-G86 VanDerWaalsContact O-N 3.09Å; R84-G86 VanDerWaalsContact C-N 3.29Å; G86-G88 PolarHBondContact O-N 3.49Å; G86-G88 VanDerWaalsContact O-N 3.11Å |
| 87 | L | 64 | Low | 73.7 | Confident | 117 Ų | 117 | 105.7 Ų | 105.7 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | trans | -85.7 | 51.4 | 169.1 | -64.5 | 174.7 | 0 | 0 | 0 | 108.1 | N82 R85 V89 | N82-L87 CarbonylContact O-C 3.58Å; N82-L87 PolarHBondContact O-N 3.44Å; R85-L87 HydrophobicContact CB-CD1 4.4Å; R85-L87 HydrophobicContact CB-CG 4.34Å; R85-L87 PolarHBondContact O-N 3.1Å; R85-L87 VanDerWaalsContact O-N 3.14Å; L87-V89 PolarHBondContact O-N 3.28Å | ||
| 88 | G | 58.6 | Low | 73.7 | Confident | 29 Ų | 29 | 101.5 Ų | 101.5 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | trans | -60.2 | 139.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G86 D90 | G86-G88 PolarHBondContact O-N 3.49Å; G86-G88 VanDerWaalsContact O-N 3.11Å; G88-D90 PolarHBondContact O-N 3.15Å | ||
| 89 | V | 54.8 | Low | 73.9 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 79% | 0.788 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -65.4 | 19.3 | 148.8 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | L87 S91 | L87-V89 PolarHBondContact O-N 3.28Å; V89-S91 PolarHBondContact O-N 3.47Å |
| 90 | D | 54.7 | Low | 74.2 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | trans | -75.1 | 83.9 | 168.7 | -58.3 | -43.1 | 0 | 0 | 0 | 106 | G88 K92 | G88-D90 PolarHBondContact O-N 3.15Å; D90-K92 PolarHBondContact O-N 3Å | ||
| 91 | S | 60.1 | Low | 74.5 | Confident | 84 Ų | 84 | 99.6 Ų | 99.6 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | trans | -46.7 | 106.1 | 145.9 | -166.3 | 0 | 0 | 0 | 0 | 104.7 | V89 R97 | V89-S91 PolarHBondContact O-N 3.47Å; S91-R97 PolarHBondContact OG-NH1 2.88Å | ||
| 92 | K | 62.9 | Low | 75.1 | Confident | 80 Ų | 80 | 103.9 Ų | 103.9 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | trans | -41.8 | 142.5 | -174.8 | -61.9 | 169.8 | -177.5 | -170.8 | 0 | 108.4 | D90 E94 Q96 R97 E100 | D90-K92 PolarHBondContact O-N 3Å; K92-E94 PolarHBondContact O-N 3.04Å; K92-Q96 HydrophobicContact CB-CB 4.24Å; K92-Q96 HydrophobicContact CB-CG 4.32Å; K92-Q96 HydrophobicContact CD-CG 4.3Å; K92-R97 HydrophobicContact CB-CG 3.59Å; K92-R97 HydrophobicContact CD-CG 4.44Å; K92-R97 HydrophobicContact CG-CG 4.48Å; K92-R97 WeakPolarHBondContact O-CG 3.29Å; K92-R97 PolarHBondContact O-NH1 3.38Å; K92-E100 IonicContact NZ-OE1 2.63Å; K92-E100 PolarHBondContact NZ-OE1 3.12Å; K92-E100 IonicContact NZ-OE2 2.82Å; K92-E100 PolarHBondContact NZ-OE2 3.47Å | ||
| 93 | P | 74.3 | Confident | 75.8 | Confident | 85 Ų | 85 | 109.6 Ų | 109.6 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | trans | -49 | 134.9 | 179.7 | 21.1 | -32.2 | 0 | 0 | 0 | 108.6 | L95 Q96 R97 | P93-L95 CarbonylContact O-C 3.58Å; P93-L95 PolarHBondContact O-N 3.5Å; P93-Q96 HydrophobicContact CG-CB 3.97Å; P93-Q96 WeakPolarHBondContact O-CA 3.35Å; P93-Q96 WeakPolarHBondContact O-CB 3.29Å; P93-Q96 PolarHBondContact O-N 3.19Å; P93-R97 PolarHBondContact O-N 3.48Å | ||
| 94 | E | 75.3 | Confident | 76.9 | Confident | 123 Ų | 123 | 110.4 Ų | 110.4 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -39.6 | -45.8 | -169.9 | -68.9 | -62.5 | 138.8 | 0 | 0 | 112.9 | K92 Q96 R97 V98 | K92-E94 PolarHBondContact O-N 3.04Å; E94-Q96 PolarHBondContact O-N 3.34Å; E94-R97 VanDerWaalsContact CD-CZ 3.45Å; E94-R97 PolarHBondContact O-N 2.89Å; E94-R97 IonicContact OE1-CZ 2.63Å; E94-R97 IonicContact OE1-NH1 3.12Å; E94-R97 PolarHBondContact OE1-NH1 3.41Å; E94-R97 IonicContact OE1-NH2 3.34Å; E94-R97 PolarHBondContact OE1-NH2 3.01Å; E94-R97 IonicContact OE2-CZ 2.7Å; E94-R97 IonicContact OE2-NH1 2.72Å; E94-R97 IonicContact OE2-NH2 3.7Å; E94-R97 PolarHBondContact OE2-NH2 2.94Å; E94-V98 WeakPolarHBondContact O-CG2 3.34Å; E94-V98 PolarHBondContact O-N 3.44Å |
| 95 | L | 82 | Confident | 77.8 | Confident | 125 Ų | 125 | 104.5 Ų | 104.5 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.5 | -44.8 | 177.9 | -179 | 60.3 | 0 | 0 | 0 | 113.5 | P93 V98 L99 | P93-L95 CarbonylContact O-C 3.58Å; P93-L95 PolarHBondContact O-N 3.5Å; L95-V98 PolarHBondContact O-N 3.17Å; L95-L99 HydrophobicContact CD1-CD1 4.27Å; L95-L99 HydrophobicContact CD1-CG 4.24Å; L95-L99 HydrophobicContact CG-CD1 4.14Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.36Å; L95-L99 PolarHBondContact O-N 2.85Å |
| 96 | Q | 80.5 | Confident | 78.7 | Confident | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 178.2 | -176.2 | 178.2 | -17.2 | 0 | 0 | 111.4 | K92 P93 E94 L99 E100 | K92-Q96 HydrophobicContact CB-CB 4.24Å; K92-Q96 HydrophobicContact CB-CG 4.32Å; K92-Q96 HydrophobicContact CD-CG 4.3Å; P93-Q96 HydrophobicContact CG-CB 3.97Å; P93-Q96 WeakPolarHBondContact O-CA 3.35Å; P93-Q96 WeakPolarHBondContact O-CB 3.29Å; P93-Q96 PolarHBondContact O-N 3.19Å; E94-Q96 PolarHBondContact O-N 3.34Å; Q96-L99 PolarHBondContact O-N 2.93Å; Q96-E100 PolarHBondContact NE2-OE1 2.87Å; Q96-E100 WeakPolarHBondContact O-CB 3.44Å; Q96-E100 WeakPolarHBondContact O-CG 3.36Å; Q96-E100 PolarHBondContact O-N 2.93Å |
| 97 | R | 83.8 | Confident | 80.1 | Confident | 84 Ų | 84 | 102.5 Ų | 102.5 | 32% | 0.317 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 173.1 | -62.5 | -164.1 | -41.5 | -104.3 | 14.8 | 111.3 | S91 K92 P93 E94 L99 E100 H101 | S91-R97 PolarHBondContact OG-NH1 2.88Å; K92-R97 HydrophobicContact CB-CG 3.59Å; K92-R97 HydrophobicContact CD-CG 4.44Å; K92-R97 HydrophobicContact CG-CG 4.48Å; K92-R97 WeakPolarHBondContact O-CG 3.29Å; K92-R97 PolarHBondContact O-NH1 3.38Å; P93-R97 PolarHBondContact O-N 3.48Å; E94-R97 VanDerWaalsContact CD-CZ 3.45Å; E94-R97 PolarHBondContact O-N 2.89Å; E94-R97 IonicContact OE1-CZ 2.63Å; E94-R97 IonicContact OE1-NH1 3.12Å; E94-R97 PolarHBondContact OE1-NH1 3.41Å; E94-R97 IonicContact OE1-NH2 3.34Å; E94-R97 PolarHBondContact OE1-NH2 3.01Å; E94-R97 IonicContact OE2-CZ 2.7Å; E94-R97 IonicContact OE2-NH1 2.72Å; E94-R97 IonicContact OE2-NH2 3.7Å; E94-R97 PolarHBondContact OE2-NH2 2.94Å; R97-L99 PolarHBondContact O-N 3.23Å; R97-E100 PolarHBondContact O-N 2.86Å; R97-H101 WeakPolarHBondContact O-CB 2.88Å; R97-H101 PolarHBondContact O-N 3.02Å |
| 98 | V | 89.8 | Confident | 81.6 | Confident | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | E94 L95 H101 R102 | E94-V98 WeakPolarHBondContact O-CG2 3.34Å; E94-V98 PolarHBondContact O-N 3.44Å; L95-V98 PolarHBondContact O-N 3.17Å; V98-H101 PolarHBondContact O-N 2.99Å; V98-R102 VanDerWaalsContact O-CB 3.29Å; V98-R102 WeakPolarHBondContact O-CB 3.13Å; V98-R102 PolarHBondContact O-N 3.44Å |
| 99 | L | 91.2 | Very high | 83.4 | Confident | 91 Ų | 91 | 107.1 Ų | 107.1 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 178.1 | -72 | 175.7 | 0 | 0 | 0 | 112.5 | L95 Q96 R97 R103 | L95-L99 HydrophobicContact CD1-CD1 4.27Å; L95-L99 HydrophobicContact CD1-CG 4.24Å; L95-L99 HydrophobicContact CG-CD1 4.14Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.36Å; L95-L99 PolarHBondContact O-N 2.85Å; Q96-L99 PolarHBondContact O-N 2.93Å; R97-L99 PolarHBondContact O-N 3.23Å; L99-R103 WeakPolarHBondContact O-CB 3.38Å; L99-R103 PolarHBondContact O-N 2.95Å |
| 100 | E | 89.1 | Confident | 85.2 | Confident | 50 Ų | 50 | 108 Ų | 108 | 23% | 0.234 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 174.6 | -77.1 | -174 | -163.5 | 0 | 0 | 112.4 | K92 Q96 R97 R103 R104 | K92-E100 IonicContact NZ-OE1 2.63Å; K92-E100 PolarHBondContact NZ-OE1 3.12Å; K92-E100 IonicContact NZ-OE2 2.82Å; K92-E100 PolarHBondContact NZ-OE2 3.47Å; Q96-E100 PolarHBondContact NE2-OE1 2.87Å; Q96-E100 WeakPolarHBondContact O-CB 3.44Å; Q96-E100 WeakPolarHBondContact O-CG 3.36Å; Q96-E100 PolarHBondContact O-N 2.93Å; R97-E100 PolarHBondContact O-N 2.86Å; E100-R103 PolarHBondContact O-N 3.18Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 IonicContact OE2-NH1 2.67Å; E100-R104 PolarHBondContact OE2-NH1 3.43Å |
| 101 | H | 91.6 | Very high | 87.1 | Confident | 113 Ų | 113 | 110.1 Ų | 110.1 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.2 | -175 | 71.2 | 0 | 0 | 0 | 110.7 | R97 V98 R103 R104 N105 | R97-H101 WeakPolarHBondContact O-CB 2.88Å; R97-H101 PolarHBondContact O-N 3.02Å; V98-H101 PolarHBondContact O-N 2.99Å; H101-R103 VanDerWaalsContact C-N 3.33Å; H101-R103 PolarHBondContact O-N 3.3Å; H101-R104 PolarHBondContact O-N 2.87Å; H101-N105 PolarHBondContact CD2-ND2 3.16Å; H101-N105 PolarHBondContact NE2-ND2 2.94Å; H101-N105 WeakPolarHBondContact O-CB 3.48Å; H101-N105 PolarHBondContact O-N 3.5Å; H101-N105 PolarHBondContact O-OD1 3.4Å |
| 102 | R | 94.2 | Very high | 88.7 | Confident | 156 Ų | 156 | 113 Ų | 113 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.5 | -44.5 | 173.6 | -175.2 | 178.1 | -179.1 | -174.6 | 0.9 | 111.7 | V98 N105 Q106 | V98-R102 VanDerWaalsContact O-CB 3.29Å; V98-R102 WeakPolarHBondContact O-CB 3.13Å; V98-R102 PolarHBondContact O-N 3.44Å; R102-N105 PolarHBondContact O-N 3.32Å; R102-Q106 VanDerWaalsContact O-CG 3.29Å; R102-Q106 WeakPolarHBondContact O-CG 3.4Å; R102-Q106 PolarHBondContact O-N 3.41Å |
| 103 | R | 94.9 | Very high | 90 | Very high | 176 Ų | 176 | 113.9 Ų | 113.9 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 177.5 | -169.7 | -176.1 | -61.3 | -131.3 | 1.3 | 111.5 | L99 E100 H101 Q106 L107 | L99-R103 WeakPolarHBondContact O-CB 3.38Å; L99-R103 PolarHBondContact O-N 2.95Å; E100-R103 PolarHBondContact O-N 3.18Å; H101-R103 VanDerWaalsContact C-N 3.33Å; H101-R103 PolarHBondContact O-N 3.3Å; R103-Q106 PolarHBondContact O-N 3.46Å; R103-L107 HydrophobicContact CG-CD1 4.39Å; R103-L107 PolarHBondContact O-N 2.92Å; R103-L107 VanDerWaalsContact O-N 3.16Å |
| 104 | R | 95.6 | Very high | 90.7 | Very high | 149 Ų | 149 | 114.7 Ų | 114.7 | 56% | 0.562 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 175.3 | -77.9 | -173.8 | 175 | 99 | -2.8 | 111.6 | E100 H101 Q106 L107 I108 | E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 IonicContact OE2-NH1 2.67Å; E100-R104 PolarHBondContact OE2-NH1 3.43Å; H101-R104 PolarHBondContact O-N 2.87Å; R104-Q106 VanDerWaalsContact C-N 3.32Å; R104-Q106 PolarHBondContact O-N 2.75Å; R104-L107 WeakPolarHBondContact O-CB 3.46Å; R104-L107 PolarHBondContact O-N 3.39Å; R104-I108 WeakPolarHBondContact O-CG1 3.29Å; R104-I108 PolarHBondContact O-N 2.82Å |
| 105 | N | 95.7 | Very high | 91.2 | Very high | 72 Ų | 72 | 114.7 Ų | 114.7 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | -179.6 | -69.1 | -5.9 | 0 | 0 | 0 | 112.1 | H101 R102 I108 K109 | H101-N105 PolarHBondContact CD2-ND2 3.16Å; H101-N105 PolarHBondContact NE2-ND2 2.94Å; H101-N105 WeakPolarHBondContact O-CB 3.48Å; H101-N105 PolarHBondContact O-N 3.5Å; H101-N105 PolarHBondContact O-OD1 3.4Å; R102-N105 PolarHBondContact O-N 3.32Å; N105-I108 PolarHBondContact O-N 2.89Å; N105-K109 WeakPolarHBondContact O-CB 3.35Å; N105-K109 PolarHBondContact O-N 3.4Å |
| 106 | Q | 94.1 | Very high | 91.4 | Very high | 100 Ų | 100 | 113.8 Ų | 113.8 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.4 | -74.8 | 172.3 | -4.9 | 0 | 0 | 112.2 | R102 R103 R104 K109 K110 | R102-Q106 VanDerWaalsContact O-CG 3.29Å; R102-Q106 WeakPolarHBondContact O-CG 3.4Å; R102-Q106 PolarHBondContact O-N 3.41Å; R103-Q106 PolarHBondContact O-N 3.46Å; R104-Q106 VanDerWaalsContact C-N 3.32Å; R104-Q106 PolarHBondContact O-N 2.75Å; Q106-K109 PolarHBondContact O-N 3.31Å; Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 2.95Å |
| 107 | L | 96.1 | Very high | 91.6 | Very high | 104 Ų | 104 | 112.1 Ų | 112.1 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.9 | -88.6 | 146.2 | 0 | 0 | 0 | 111.9 | R103 R104 K110 K111 | R103-L107 HydrophobicContact CG-CD1 4.39Å; R103-L107 PolarHBondContact O-N 2.92Å; R103-L107 VanDerWaalsContact O-N 3.16Å; R104-L107 WeakPolarHBondContact O-CB 3.46Å; R104-L107 PolarHBondContact O-N 3.39Å; L107-K110 PolarHBondContact O-N 2.84Å; L107-K111 PolarHBondContact O-N 3.41Å |
| 108 | I | 94.4 | Very high | 91.5 | Very high | 108 Ų | 108 | 113.4 Ų | 113.4 | 55% | 0.554 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 177.6 | -67.6 | 166 | 0 | 0 | 0 | 110.4 | R104 N105 K110 K111 K112 | R104-I108 WeakPolarHBondContact O-CG1 3.29Å; R104-I108 PolarHBondContact O-N 2.82Å; N105-I108 PolarHBondContact O-N 2.89Å; I108-K110 PolarHBondContact O-N 2.98Å; I108-K111 PolarHBondContact O-N 3.26Å; I108-K112 WeakPolarHBondContact O-CB 3.42Å; I108-K112 PolarHBondContact O-N 2.88Å |
| 109 | K | 95.8 | Very high | 91.1 | Very high | 136 Ų | 136 | 117.9 Ų | 117.9 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.2 | -48.7 | 177.9 | -169.1 | -179.8 | -178.6 | -169.7 | 0 | 111.3 | N105 Q106 K111 K112 E113 | N105-K109 WeakPolarHBondContact O-CB 3.35Å; N105-K109 PolarHBondContact O-N 3.4Å; Q106-K109 PolarHBondContact O-N 3.31Å; K109-K111 PolarHBondContact O-N 3.39Å; K109-K112 PolarHBondContact O-N 2.93Å; K109-E113 WeakPolarHBondContact CE-OE1 3.33Å; K109-E113 WeakPolarHBondContact CG-OE1 3.42Å; K109-E113 WeakPolarHBondContact O-CG 3.33Å; K109-E113 PolarHBondContact O-N 3.41Å |
| 110 | K | 93.9 | Very high | 90.4 | Very high | 149 Ų | 149 | 119 Ų | 119 | 65% | 0.648 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.9 | -46.1 | 175.8 | -74.4 | -176.4 | 176.1 | -171.1 | 0 | 112.5 | Q106 L107 I108 K112 E113 E114 | Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 2.84Å; I108-K110 PolarHBondContact O-N 2.98Å; K110-K112 VanDerWaalsContact C-N 3.3Å; K110-K112 PolarHBondContact O-N 3.38Å; K110-E113 PolarHBondContact O-N 3.38Å; K110-E114 WeakPolarHBondContact O-CB 3.27Å; K110-E114 PolarHBondContact O-N 2.85Å |
| 111 | K | 93.8 | Very high | 89.6 | Confident | 151 Ų | 151 | 122.5 Ų | 122.5 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.4 | -38.5 | 176.8 | -81.1 | -167.9 | 173 | -171 | 0 | 112.4 | L107 I108 K109 L115 | L107-K111 PolarHBondContact O-N 3.41Å; I108-K111 PolarHBondContact O-N 3.26Å; K109-K111 PolarHBondContact O-N 3.39Å; K111-L115 WeakPolarHBondContact O-CB 3.29Å; K111-L115 PolarHBondContact O-N 3.36Å |
| 112 | K | 93.6 | Very high | 88.8 | Confident | 146 Ų | 146 | 119.7 Ų | 119.7 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.6 | -45.1 | 178.1 | -171.8 | 179.6 | 176.6 | -175.9 | 0 | 111.4 | I108 K109 K110 L115 E116 | I108-K112 WeakPolarHBondContact O-CB 3.42Å; I108-K112 PolarHBondContact O-N 2.88Å; K109-K112 PolarHBondContact O-N 2.93Å; K110-K112 VanDerWaalsContact C-N 3.3Å; K110-K112 PolarHBondContact O-N 3.38Å; K112-L115 PolarHBondContact O-N 3.07Å; K112-E116 WeakPolarHBondContact O-CB 3.45Å; K112-E116 PolarHBondContact O-N 3.49Å |
| 113 | E | 90.2 | Very high | 88.3 | Confident | 97 Ų | 97 | 115.9 Ų | 115.9 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 175.3 | -71.8 | 167.2 | -176.6 | 0 | 0 | 111.5 | K109 K110 E116 A117 | K109-E113 WeakPolarHBondContact CE-OE1 3.33Å; K109-E113 WeakPolarHBondContact CG-OE1 3.42Å; K109-E113 WeakPolarHBondContact O-CG 3.33Å; K109-E113 PolarHBondContact O-N 3.41Å; K110-E113 PolarHBondContact O-N 3.38Å; E113-E116 PolarHBondContact O-N 2.9Å; E113-A117 WeakPolarHBondContact O-CB 3.38Å; E113-A117 PolarHBondContact O-N 2.93Å |
| 114 | E | 88.8 | Confident | 87.7 | Confident | 103 Ų | 103 | 113.8 Ų | 113.8 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.1 | -169.8 | -168.1 | 152.1 | 0 | 0 | 112 | K110 E116 A117 K118 | K110-E114 WeakPolarHBondContact O-CB 3.27Å; K110-E114 PolarHBondContact O-N 2.85Å; E114-E116 VanDerWaalsContact C-N 3.34Å; E114-A117 PolarHBondContact O-N 2.9Å; E114-K118 HydrophobicContact CG-CD 4.42Å; E114-K118 WeakPolarHBondContact O-CB 3.3Å; E114-K118 WeakPolarHBondContact O-CG 3.22Å; E114-K118 PolarHBondContact O-N 3.23Å; E114-K118 WeakPolarHBondContact OE1-CE 3.45Å; E114-K118 IonicContact OE1-NZ 3.42Å; E114-K118 PolarHBondContact OE1-NZ 2.91Å |
| 115 | L | 87.3 | Confident | 87.2 | Confident | 123 Ų | 123 | 112.9 Ų | 112.9 | 64% | 0.644 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 176.5 | -173.4 | 69.2 | 0 | 0 | 0 | 111.5 | K111 K112 K118 R119 | K111-L115 WeakPolarHBondContact O-CB 3.29Å; K111-L115 PolarHBondContact O-N 3.36Å; K112-L115 PolarHBondContact O-N 3.07Å; L115-K118 PolarHBondContact O-N 2.91Å; L115-R119 WeakPolarHBondContact O-CB 3.44Å; L115-R119 PolarHBondContact O-N 3.42Å |
| 116 | E | 86.2 | Confident | 86.8 | Confident | 106 Ų | 106 | 114.5 Ų | 114.5 | 50% | 0.495 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 176.7 | -173.1 | 166.8 | -163 | 0 | 0 | 111.6 | K112 E113 E114 K118 R119 L120 | K112-E116 WeakPolarHBondContact O-CB 3.45Å; K112-E116 PolarHBondContact O-N 3.49Å; E113-E116 PolarHBondContact O-N 2.9Å; E114-E116 VanDerWaalsContact C-N 3.34Å; E116-K118 PolarHBondContact O-N 3.18Å; E116-R119 WeakPolarHBondContact O-CB 3.4Å; E116-R119 PolarHBondContact O-N 2.63Å; E116-R119 VanDerWaalsContact O-N 3.17Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 2.87Å |
| 117 | A | 83.8 | Confident | 86.6 | Confident | 53 Ų | 53 | 114.9 Ų | 114.9 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E113 E114 R119 L120 Q121 | E113-A117 WeakPolarHBondContact O-CB 3.38Å; E113-A117 PolarHBondContact O-N 2.93Å; E114-A117 PolarHBondContact O-N 2.9Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.23Å; A117-L120 PolarHBondContact O-N 2.98Å; A117-Q121 WeakPolarHBondContact O-CG 3.37Å; A117-Q121 PolarHBondContact O-N 3.39Å |
| 118 | K | 82.3 | Confident | 86.4 | Confident | 112 Ų | 112 | 114.7 Ų | 114.7 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 173.8 | -75.1 | 171.9 | 172 | 172 | 0 | 112.1 | E114 L115 E116 L120 Q121 C122 | E114-K118 HydrophobicContact CG-CD 4.42Å; E114-K118 WeakPolarHBondContact O-CB 3.3Å; E114-K118 WeakPolarHBondContact O-CG 3.22Å; E114-K118 PolarHBondContact O-N 3.23Å; E114-K118 WeakPolarHBondContact OE1-CE 3.45Å; E114-K118 IonicContact OE1-NZ 3.42Å; E114-K118 PolarHBondContact OE1-NZ 2.91Å; L115-K118 PolarHBondContact O-N 2.91Å; E116-K118 PolarHBondContact O-N 3.18Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.5Å; K118-Q121 WeakPolarHBondContact O-CB 3.4Å; K118-Q121 PolarHBondContact O-N 2.67Å; K118-C122 PolarHBondContact O-N 2.87Å; K118-C122 VanDerWaalsContact O-N 3.1Å |
| 119 | R | 80.5 | Confident | 86.3 | Confident | 181 Ų | 181 | 113.9 Ų | 113.9 | 68% | 0.683 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -36.1 | 176.6 | -159.6 | -172.4 | 82.8 | 151.8 | 4.5 | 111.9 | L115 E116 A117 P123 | L115-R119 WeakPolarHBondContact O-CB 3.44Å; L115-R119 PolarHBondContact O-N 3.42Å; E116-R119 WeakPolarHBondContact O-CB 3.4Å; E116-R119 PolarHBondContact O-N 2.63Å; E116-R119 VanDerWaalsContact O-N 3.17Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.23Å; R119-P123 WeakPolarHBondContact O-CD 3.26Å |
| 120 | L | 75.8 | Confident | 86.1 | Confident | 113 Ų | 113 | 114.8 Ų | 114.8 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75.9 | -29 | 175.1 | -67.1 | 173.3 | 0 | 0 | 0 | 112.6 | E116 A117 K118 C122 P123 | E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 2.87Å; A117-L120 PolarHBondContact O-N 2.98Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.5Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-P123 WeakPolarHBondContact O-CD 3.42Å |
| 121 | Q | 73.2 | Confident | 86.1 | Confident | 125 Ų | 125 | 115 Ų | 115 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 170.2 | -76.9 | -174.8 | -27.5 | 0 | 0 | 112.2 | A117 K118 F124 E125 | A117-Q121 WeakPolarHBondContact O-CG 3.37Å; A117-Q121 PolarHBondContact O-N 3.39Å; K118-Q121 WeakPolarHBondContact O-CB 3.4Å; K118-Q121 PolarHBondContact O-N 2.67Å; Q121-F124 PolarHBondContact O-N 3.3Å; Q121-F124 VanDerWaalsContact O-N 3.15Å; Q121-E125 WeakPolarHBondContact O-CB 3.19Å; Q121-E125 PolarHBondContact O-N 2.96Å |
| 122 | C | 75 | Confident | 86.1 | Confident | 54 Ų | 54 | 113 Ų | 113 | 37% | 0.365 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | -176 | -173 | 0 | 0 | 0 | 0 | 114.6 | K118 L120 F124 E125 Q126 | K118-C122 PolarHBondContact O-N 2.87Å; K118-C122 VanDerWaalsContact O-N 3.1Å; L120-C122 VanDerWaalsContact C-N 3.32Å; C122-F124 PolarHBondContact O-N 3.19Å; C122-E125 PolarHBondContact O-N 3.31Å; C122-Q126 VanDerWaalsContact O-CG 3.29Å; C122-Q126 WeakPolarHBondContact O-CG 3.21Å; C122-Q126 PolarHBondContact O-N 3.24Å |
| 123 | P | 83.1 | Confident | 86.1 | Confident | 75 Ų | 75 | 110.7 Ų | 110.7 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 171.4 | -27.2 | 32.3 | 0 | 0 | 0 | 114 | R119 L120 Q126 E127 | R119-P123 WeakPolarHBondContact O-CD 3.26Å; L120-P123 WeakPolarHBondContact O-CD 3.42Å; P123-Q126 PolarHBondContact O-N 3.5Å; P123-E127 PolarHBondContact O-N 2.83Å |
| 124 | F | 83.3 | Confident | 86.2 | Confident | 133 Ų | 133 | 113.6 Ų | 113.6 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.8 | -41 | 178.7 | 175.1 | -113.3 | 0 | 0 | 0 | 111.5 | Q121 C122 Q126 E127 L128 | Q121-F124 PolarHBondContact O-N 3.3Å; Q121-F124 VanDerWaalsContact O-N 3.15Å; C122-F124 PolarHBondContact O-N 3.19Å; F124-Q126 VanDerWaalsContact C-N 3.33Å; F124-Q126 PolarHBondContact O-N 2.82Å; F124-E127 PolarHBondContact O-N 2.63Å; F124-L128 WeakPolarHBondContact O-CB 3.44Å; F124-L128 PolarHBondContact O-N 2.7Å |
| 125 | E | 84.7 | Confident | 86.3 | Confident | 129 Ų | 129 | 113.9 Ų | 113.9 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 175.1 | -170.8 | 175.5 | -169.1 | 0 | 0 | 111.6 | Q121 C122 L128 L129 | Q121-E125 WeakPolarHBondContact O-CB 3.19Å; Q121-E125 PolarHBondContact O-N 2.96Å; C122-E125 PolarHBondContact O-N 3.31Å; E125-L128 PolarHBondContact O-N 3.36Å; E125-L129 PolarHBondContact O-N 2.89Å |
| 126 | Q | 86.4 | Confident | 86.4 | Confident | 106 Ų | 106 | 112.1 Ų | 112.1 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 172.9 | -71.3 | 173.3 | 25.6 | 0 | 0 | 112.4 | C122 P123 F124 L129 R130 | C122-Q126 VanDerWaalsContact O-CG 3.29Å; C122-Q126 WeakPolarHBondContact O-CG 3.21Å; C122-Q126 PolarHBondContact O-N 3.24Å; P123-Q126 PolarHBondContact O-N 3.5Å; F124-Q126 VanDerWaalsContact C-N 3.33Å; F124-Q126 PolarHBondContact O-N 2.82Å; Q126-L129 PolarHBondContact O-N 2.96Å; Q126-R130 WeakPolarHBondContact O-CG 3.34Å; Q126-R130 PolarHBondContact O-N 3.35Å |
| 127 | E | 91.3 | Very high | 86.4 | Confident | 109 Ų | 109 | 113.5 Ų | 113.5 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 177.9 | -163.8 | 178.5 | 176.9 | 0 | 0 | 112 | P123 F124 R130 R131 | P123-E127 PolarHBondContact O-N 2.83Å; F124-E127 PolarHBondContact O-N 2.63Å; E127-R130 PolarHBondContact O-N 2.93Å; E127-R131 PolarHBondContact O-N 3Å |
| 128 | L | 92.1 | Very high | 86.3 | Confident | 99 Ų | 99 | 117.9 Ų | 117.9 | 52% | 0.518 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.5 | -169.7 | 69.1 | 0 | 0 | 0 | 111.2 | F124 E125 R130 R131 Q132 | F124-L128 WeakPolarHBondContact O-CB 3.44Å; F124-L128 PolarHBondContact O-N 2.7Å; E125-L128 PolarHBondContact O-N 3.36Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.24Å; L128-R131 PolarHBondContact O-N 2.84Å; L128-Q132 PolarHBondContact O-N 3.14Å |
| 129 | L | 90.5 | Very high | 86.2 | Confident | 91 Ų | 91 | 119.5 Ų | 119.5 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.7 | -43.8 | 175.2 | -175.2 | 67 | 0 | 0 | 0 | 111.4 | E125 Q126 R131 Q132 Q133 | E125-L129 PolarHBondContact O-N 2.89Å; Q126-L129 PolarHBondContact O-N 2.96Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 3.31Å; L129-Q132 PolarHBondContact O-N 3Å; L129-Q133 WeakPolarHBondContact O-CG 3.44Å; L129-Q133 PolarHBondContact O-N 2.96Å |
| 130 | R | 93.3 | Very high | 85.8 | Confident | 156 Ų | 156 | 118.4 Ų | 118.4 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.9 | -40.9 | 175.4 | -73.8 | 175.4 | -178.7 | -167.5 | 1.2 | 112.1 | Q126 E127 L128 Q133 R134 | Q126-R130 WeakPolarHBondContact O-CG 3.34Å; Q126-R130 PolarHBondContact O-N 3.35Å; E127-R130 PolarHBondContact O-N 2.93Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.24Å; R130-Q133 PolarHBondContact O-N 2.97Å; R130-R134 WeakPolarHBondContact O-CG 3.47Å; R130-R134 PolarHBondContact O-N 3.22Å; R130-R134 VanDerWaalsContact O-N 3.15Å |
| 131 | R | 93.7 | Very high | 85.1 | Confident | 152 Ų | 152 | 117.4 Ų | 117.4 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -46 | 175.1 | -85 | -177.1 | 176 | -176.9 | -0.2 | 111.7 | E127 L128 L129 Q133 R134 L135 | E127-R131 PolarHBondContact O-N 3Å; L128-R131 PolarHBondContact O-N 2.84Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 3.31Å; R131-Q133 VanDerWaalsContact C-N 3.31Å; R131-Q133 PolarHBondContact O-N 3.05Å; R131-R134 PolarHBondContact O-N 3.09Å; R131-L135 PolarHBondContact O-N 3.09Å |
| 132 | Q | 93.4 | Very high | 84.3 | Confident | 111 Ų | 111 | 115.3 Ų | 115.3 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.9 | -42.8 | 177.3 | -174.8 | -179.1 | 58 | 0 | 0 | 111.4 | L128 L129 R134 L135 N136 | L128-Q132 PolarHBondContact O-N 3.14Å; L129-Q132 PolarHBondContact O-N 3Å; Q132-R134 VanDerWaalsContact C-N 3.33Å; Q132-R134 PolarHBondContact O-N 3.11Å; Q132-L135 PolarHBondContact O-N 3.14Å; Q132-N136 WeakPolarHBondContact O-CB 3.45Å; Q132-N136 PolarHBondContact O-N 3.46Å |
| 133 | Q | 92.8 | Very high | 83.6 | Confident | 96 Ų | 96 | 121 Ų | 121 | 45% | 0.449 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.3 | -40.7 | 175.7 | -74 | 175.1 | -5 | 0 | 0 | 112.6 | L129 R130 R131 Q137 | L129-Q133 WeakPolarHBondContact O-CG 3.44Å; L129-Q133 PolarHBondContact O-N 2.96Å; R130-Q133 PolarHBondContact O-N 2.97Å; R131-Q133 VanDerWaalsContact C-N 3.31Å; R131-Q133 PolarHBondContact O-N 3.05Å; Q133-Q137 VanDerWaalsContact O-CG 3.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.43Å; Q133-Q137 PolarHBondContact O-N 3.42Å; Q133-Q137 VanDerWaalsContact O-N 3.09Å |
| 134 | R | 93.3 | Very high | 82.3 | Confident | 158 Ų | 158 | 125.7 Ų | 125.7 | 60% | 0.596 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.8 | -43.6 | 175.2 | -71.3 | 179.3 | -166.9 | 154.1 | 2.5 | 112 | R130 R131 Q132 Q137 L138 | R130-R134 WeakPolarHBondContact O-CG 3.47Å; R130-R134 PolarHBondContact O-N 3.22Å; R130-R134 VanDerWaalsContact O-N 3.15Å; R131-R134 PolarHBondContact O-N 3.09Å; Q132-R134 VanDerWaalsContact C-N 3.33Å; Q132-R134 PolarHBondContact O-N 3.11Å; R134-Q137 PolarHBondContact O-N 3.02Å; R134-L138 PolarHBondContact O-N 3.14Å; R134-L138 VanDerWaalsContact O-N 3.11Å |
| 135 | L | 91.3 | Very high | 80.9 | Confident | 109 Ų | 109 | 125.7 Ų | 125.7 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.5 | -45.9 | 177.3 | -70.5 | 174.9 | 0 | 0 | 0 | 111.1 | R131 Q132 Q137 L138 E139 | R131-L135 PolarHBondContact O-N 3.09Å; Q132-L135 PolarHBondContact O-N 3.14Å; L135-Q137 PolarHBondContact O-N 3.28Å; L135-L138 CarbonylContact O-C 3.57Å; L135-L138 PolarHBondContact O-N 3.22Å; L135-E139 VanDerWaalsContact O-CB 3.28Å; L135-E139 WeakPolarHBondContact O-CB 3.18Å; L135-E139 PolarHBondContact O-N 2.95Å |
| 136 | N | 87.6 | Confident | 79.5 | Confident | 86 Ų | 86 | 128.4 Ų | 128.4 | 46% | 0.46 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61 | -31.1 | 175.9 | -74.5 | -13.6 | 0 | 0 | 0 | 113.1 | Q132 K140 | Q132-N136 WeakPolarHBondContact O-CB 3.45Å; Q132-N136 PolarHBondContact O-N 3.46Å; N136-K140 WeakPolarHBondContact O-CG 3.4Å; N136-K140 PolarHBondContact O-N 2.83Å; N136-K140 VanDerWaalsContact O-N 3.16Å |
| 137 | Q | 86.3 | Confident | 78 | Confident | 136 Ų | 136 | 129.3 Ų | 129.3 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.8 | -34.5 | 174.7 | -73.5 | 169.7 | 29.3 | 0 | 0 | 112.4 | Q133 R134 L135 | Q133-Q137 VanDerWaalsContact O-CG 3.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.43Å; Q133-Q137 PolarHBondContact O-N 3.42Å; Q133-Q137 VanDerWaalsContact O-N 3.09Å; R134-Q137 PolarHBondContact O-N 3.02Å; L135-Q137 PolarHBondContact O-N 3.28Å |
| 138 | L | 83.1 | Confident | 76.5 | Confident | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.7 | -32.1 | 177.1 | -73.7 | 158.2 | 0 | 0 | 0 | 112.6 | R134 L135 | R134-L138 PolarHBondContact O-N 3.14Å; R134-L138 VanDerWaalsContact O-N 3.11Å; L135-L138 CarbonylContact O-C 3.57Å; L135-L138 PolarHBondContact O-N 3.22Å |
| 139 | E | 78.9 | Confident | 75.4 | Confident | 147 Ų | 147 | 128.6 Ų | 128.6 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -84.2 | -12.6 | -179.6 | -167.5 | 175 | -167 | 0 | 0 | 112.2 | L135 P141 | L135-E139 VanDerWaalsContact O-CB 3.28Å; L135-E139 WeakPolarHBondContact O-CB 3.18Å; L135-E139 PolarHBondContact O-N 2.95Å; E139-P141 WeakPolarHBondContact O-CD 3.27Å |
| 140 | K | 72.1 | Confident | 74.8 | Confident | 157 Ų | 157 | 127.3 Ų | 127.3 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -54.7 | 112.1 | 163.5 | -87.5 | -179 | -178.8 | -169.2 | 0 | 106.7 | N136 | N136-K140 WeakPolarHBondContact O-CG 3.4Å; N136-K140 PolarHBondContact O-N 2.83Å; N136-K140 VanDerWaalsContact O-N 3.16Å |
| 141 | P | 60.9 | Low | 74.1 | Confident | 93 Ų | 93 | 127.5 Ų | 127.5 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | trans | -57.5 | 149.7 | 174.2 | 26.3 | -32.6 | 0 | 0 | 0 | 106.9 | E139 E143 | E139-P141 WeakPolarHBondContact O-CD 3.27Å; P141-E143 PolarHBondContact O-N 3.45Å | ||
| 142 | P | 58.2 | Low | 73.2 | Confident | 81 Ų | 81 | 126.7 Ų | 126.7 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | trans | -63.1 | 89.7 | 170.3 | 26.9 | -32.4 | 0 | 0 | 0 | 108.2 | K144 E145 | P142-K144 PolarHBondContact O-N 2.97Å; P142-E145 HydrophobicContact CB-CB 3.64Å; P142-E145 HydrophobicContact CB-CG 3.4Å; P142-E145 VanDerWaalsContact CB-CG 3.4Å; P142-E145 HydrophobicContact CG-CB 4.16Å; P142-E145 HydrophobicContact CG-CG 4.28Å | ||
| 143 | E | 59.3 | Low | 72.5 | Confident | 174 Ų | 174 | 123.9 Ų | 123.9 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 98.4 | 160.2 | -77.6 | -173.8 | 168.3 | 0 | 0 | 104.8 | P141 | P141-E143 PolarHBondContact O-N 3.45Š|
| 144 | K | 55.1 | Low | 71.9 | Confident | 172 Ų | 172 | 123.6 Ų | 123.6 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.4 | 38.8 | 172.6 | -47 | 167.3 | -172.3 | -174.8 | 0 | 117.7 | P142 | P142-K144 PolarHBondContact O-N 2.97Š|
| 145 | E | 53.8 | Low | 71.4 | Confident | 133 Ų | 133 | 119.9 Ų | 119.9 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | trans | -85.3 | -7.5 | 164.7 | -84 | -178.3 | -173 | 0 | 0 | 114.9 | P142 D147 H148 | P142-E145 HydrophobicContact CB-CB 3.64Å; P142-E145 HydrophobicContact CB-CG 3.4Å; P142-E145 VanDerWaalsContact CB-CG 3.4Å; P142-E145 HydrophobicContact CG-CB 4.16Å; P142-E145 HydrophobicContact CG-CG 4.28Å; E145-D147 PolarHBondContact O-N 3.22Å; E145-H148 PolarHBondContact O-N 3.13Å | ||
| 146 | E | 56.5 | Low | 71.1 | Confident | 187 Ų | 187 | 121.3 Ų | 121.3 | 87% | 0.874 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -61.8 | -34 | 169.6 | -90 | -173.3 | 152.5 | 0 | 0 | 111.6 | ||
| 147 | D | 55.2 | Low | 70.9 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -21.6 | 178.5 | -74 | -33.6 | 0 | 0 | 0 | 113.6 | E145 K154 | E145-D147 PolarHBondContact O-N 3.22Å; D147-K154 PolarHBondContact O-NZ 2.93Å |
| 148 | H | 58.7 | Low | 70.8 | Confident | 159 Ų | 159 | 119.2 Ų | 119.2 | 74% | 0.736 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 17 | -177.7 | -142.6 | 62 | 0 | 0 | 0 | 113.6 | E145 | E145-H148 PolarHBondContact O-N 3.13Š|
| 149 | A | 70.3 | Confident | 70.9 | Confident | 33 Ų | 33 | 117.6 Ų | 117.6 | 27% | 0.273 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -59 | 123.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | E151 K154 | A149-E151 PolarHBondContact O-N 3.41Å; A149-K154 WeakPolarHBondContact O-CE 3.4Å |
| 150 | P | 76.2 | Confident | 71.1 | Confident | 64 Ų | 64 | 118.8 Ų | 118.8 | 42% | 0.416 | 58% | 0.575 | S | S | . | * | trans | -59.2 | 141.6 | -175.4 | 23 | -33 | 0 | 0 | 0 | 110.1 | F152 I153 | P150-F152 HydrophobicContact CB-CD1 3.6Å; P150-F152 HydrophobicContact CB-CE1 3.38Å; P150-F152 HydrophobicContact CB-CZ 4.31Å; P150-F152 HydrophobicContact CG-CD1 3.86Å; P150-F152 HydrophobicContact CG-CE1 3.2Å; P150-F152 HydrophobicContact CG-CZ 3.65Å; P150-F152 PolarHBondContact O-N 2.93Å; P150-I153 HydrophobicContact CG-CG1 3.92Å; P150-I153 WeakPolarHBondContact O-CB 3.41Å; P150-I153 PolarHBondContact O-N 3.11Å | ||
| 151 | E | 78.6 | Confident | 71.7 | Confident | 160 Ų | 160 | 117.6 Ų | 117.6 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -52.7 | -31.2 | -168.4 | -67.7 | -174.5 | 160.3 | 0 | 0 | 113.5 | A149 I153 K154 V155 | A149-E151 PolarHBondContact O-N 3.41Å; E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 3.16Å; E151-K154 WeakPolarHBondContact O-CB 3.22Å; E151-K154 PolarHBondContact O-N 3.21Å; E151-K154 VanDerWaalsContact O-N 3.1Å; E151-V155 WeakPolarHBondContact O-CG2 3.31Å; E151-V155 PolarHBondContact O-N 3.16Å |
| 152 | F | 74.7 | Confident | 72.6 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.7 | -30.6 | 176.7 | 76.1 | -97.9 | 0 | 0 | 0 | 113.4 | P150 R156 | P150-F152 HydrophobicContact CB-CD1 3.6Å; P150-F152 HydrophobicContact CB-CE1 3.38Å; P150-F152 HydrophobicContact CB-CZ 4.31Å; P150-F152 HydrophobicContact CG-CD1 3.86Å; P150-F152 HydrophobicContact CG-CE1 3.2Å; P150-F152 HydrophobicContact CG-CZ 3.65Å; P150-F152 PolarHBondContact O-N 2.93Å; F152-R156 WeakPolarHBondContact O-CB 3.42Å; F152-R156 PolarHBondContact O-N 3.39Å |
| 153 | I | 79.1 | Confident | 73.5 | Confident | 52 Ų | 52 | 116.7 Ų | 116.7 | 27% | 0.267 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.8 | -45.9 | 174.4 | -64.8 | -73.1 | 0 | 0 | 0 | 109.3 | P150 E151 R156 E157 | P150-I153 HydrophobicContact CG-CG1 3.92Å; P150-I153 WeakPolarHBondContact O-CB 3.41Å; P150-I153 PolarHBondContact O-N 3.11Å; E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 3.16Å; I153-R156 PolarHBondContact O-N 3.34Å; I153-E157 PolarHBondContact O-N 3.01Å |
| 154 | K | 79.9 | Confident | 74.1 | Confident | 90 Ų | 90 | 112.1 Ų | 112.1 | 39% | 0.391 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 177.9 | -60 | -179.9 | -176.9 | 175.3 | 0 | 110.9 | D147 A149 E151 E157 N158 | D147-K154 PolarHBondContact O-NZ 2.93Å; A149-K154 WeakPolarHBondContact O-CE 3.4Å; E151-K154 WeakPolarHBondContact O-CB 3.22Å; E151-K154 PolarHBondContact O-N 3.21Å; E151-K154 VanDerWaalsContact O-N 3.1Å; K154-E157 PolarHBondContact O-N 3.41Å; K154-N158 VanDerWaalsContact O-CG 3.31Å; K154-N158 PolarHBondContact O-N 3.07Å; K154-N158 PolarHBondContact O-ND2 3.45Å |
| 155 | V | 84.7 | Confident | 74.8 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | E151 E157 N158 L159 | E151-V155 WeakPolarHBondContact O-CG2 3.31Å; E151-V155 PolarHBondContact O-N 3.16Å; V155-E157 VanDerWaalsContact C-N 3.33Å; V155-E157 PolarHBondContact O-N 2.9Å; V155-N158 PolarHBondContact O-N 3.11Å; V155-L159 HydrophobicContact CG1-CD1 3.98Å; V155-L159 HydrophobicContact CG1-CG 4.36Å; V155-L159 WeakPolarHBondContact O-CB 3.22Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.48Å; V155-L159 PolarHBondContact O-N 2.93Å |
| 156 | R | 83.9 | Confident | 75.5 | Confident | 140 Ų | 140 | 105.2 Ų | 105.2 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 178.5 | -174.1 | -176 | 70.6 | 171 | 1.5 | 112.3 | F152 I153 R160 | F152-R156 WeakPolarHBondContact O-CB 3.42Å; F152-R156 PolarHBondContact O-N 3.39Å; I153-R156 PolarHBondContact O-N 3.34Å; R156-R160 PolarHBondContact O-N 3.16Å |
| 157 | E | 82.6 | Confident | 75.7 | Confident | 97 Ų | 97 | 100 Ų | 100 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 177.7 | -160 | -178.3 | 151.3 | 0 | 0 | 111.9 | I153 K154 V155 L159 R160 R161 | I153-E157 PolarHBondContact O-N 3.01Å; K154-E157 PolarHBondContact O-N 3.41Å; V155-E157 VanDerWaalsContact C-N 3.33Å; V155-E157 PolarHBondContact O-N 2.9Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.38Å; E157-R160 WeakPolarHBondContact O-CB 3.5Å; E157-R160 PolarHBondContact O-N 3.27Å; E157-R160 VanDerWaalsContact O-N 3.16Å; E157-R161 VanDerWaalsContact CD-NH2 3.33Å; E157-R161 WeakPolarHBondContact O-CG 3.19Å; E157-R161 PolarHBondContact O-N 2.86Å; E157-R161 IonicContact OE1-CZ 3.57Å; E157-R161 IonicContact OE1-NE 3.57Å; E157-R161 IonicContact OE1-NH2 2.73Å; E157-R161 PolarHBondContact OE1-NH2 2.98Å; E157-R161 IonicContact OE2-NH2 3.98Å |
| 158 | N | 84.9 | Confident | 75.9 | Confident | 80 Ų | 80 | 100.2 Ų | 100.2 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.6 | -73.1 | -21.4 | 0 | 0 | 0 | 112.1 | K154 V155 R160 R161 I162 | K154-N158 VanDerWaalsContact O-CG 3.31Å; K154-N158 PolarHBondContact O-N 3.07Å; K154-N158 PolarHBondContact O-ND2 3.45Å; V155-N158 PolarHBondContact O-N 3.11Å; N158-R160 VanDerWaalsContact C-N 3.33Å; N158-R160 PolarHBondContact O-N 3.29Å; N158-R161 PolarHBondContact O-N 3.46Å; N158-I162 WeakPolarHBondContact O-CG1 3.41Å; N158-I162 PolarHBondContact O-N 3.18Å |
| 159 | L | 85.2 | Confident | 75.9 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | 175.2 | -71.2 | 173.5 | 0 | 0 | 0 | 112.2 | V155 E157 A163 | V155-L159 HydrophobicContact CG1-CD1 3.98Å; V155-L159 HydrophobicContact CG1-CG 4.36Å; V155-L159 WeakPolarHBondContact O-CB 3.22Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.48Å; V155-L159 PolarHBondContact O-N 2.93Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.38Å; L159-A163 VanDerWaalsContact O-CB 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 3.39Å |
| 160 | R | 84.1 | Confident | 75.3 | Confident | 172 Ų | 172 | 108.5 Ų | 108.5 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 174.1 | -87.1 | -178.3 | 158.5 | -172.8 | -6.3 | 112.2 | R156 E157 N158 I162 A163 T164 | R156-R160 PolarHBondContact O-N 3.16Å; E157-R160 WeakPolarHBondContact O-CB 3.5Å; E157-R160 PolarHBondContact O-N 3.27Å; E157-R160 VanDerWaalsContact O-N 3.16Å; N158-R160 VanDerWaalsContact C-N 3.33Å; N158-R160 PolarHBondContact O-N 3.29Å; R160-I162 PolarHBondContact O-N 2.99Å; R160-A163 PolarHBondContact O-N 2.89Å; R160-T164 WeakPolarHBondContact O-CG2 3.41Å; R160-T164 PolarHBondContact O-N 3.05Å; R160-T164 PolarHBondContact O-OG1 3.43Å |
| 161 | R | 82.8 | Confident | 74.2 | Confident | 132 Ų | 132 | 109.6 Ų | 109.6 | 50% | 0.498 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 179.2 | -66.5 | 177 | -158.1 | 172 | 4.1 | 111.9 | E157 N158 T164 L165 | E157-R161 VanDerWaalsContact CD-NH2 3.33Å; E157-R161 WeakPolarHBondContact O-CG 3.19Å; E157-R161 PolarHBondContact O-N 2.86Å; E157-R161 IonicContact OE1-CZ 3.57Å; E157-R161 IonicContact OE1-NE 3.57Å; E157-R161 IonicContact OE1-NH2 2.73Å; E157-R161 PolarHBondContact OE1-NH2 2.98Å; E157-R161 IonicContact OE2-NH2 3.98Å; N158-R161 PolarHBondContact O-N 3.46Å; R161-T164 PolarHBondContact O-OG1 3.33Å; R161-L165 WeakPolarHBondContact O-CD1 3.49Å; R161-L165 VanDerWaalsContact O-CG 3.27Å; R161-L165 WeakPolarHBondContact O-CG 3.26Å; R161-L165 PolarHBondContact O-N 3.03Å; R161-L165 VanDerWaalsContact O-N 3.15Å |
| 162 | I | 80 | Confident | 72.7 | Confident | 100 Ų | 100 | 112.1 Ų | 112.1 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.3 | -40.2 | 177.3 | -62.7 | 165 | 0 | 0 | 0 | 110.6 | N158 R160 T164 L165 T166 | N158-I162 WeakPolarHBondContact O-CG1 3.41Å; N158-I162 PolarHBondContact O-N 3.18Å; R160-I162 PolarHBondContact O-N 2.99Å; I162-T164 PolarHBondContact O-N 3.36Å; I162-L165 PolarHBondContact O-N 2.87Å; I162-T166 HydrophobicContact CG2-CG2 4.07Å; I162-T166 WeakPolarHBondContact O-CB 3.31Å; I162-T166 VanDerWaalsContact O-CG2 3.26Å; I162-T166 WeakPolarHBondContact O-CG2 3.44Å; I162-T166 PolarHBondContact O-N 2.72Å; I162-T166 PolarHBondContact O-OG1 2.99Å |
| 163 | A | 77.9 | Confident | 72.6 | Confident | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L159 R160 T166 S167 | L159-A163 VanDerWaalsContact O-CB 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 3.39Å; R160-A163 PolarHBondContact O-N 2.89Å; A163-T166 WeakPolarHBondContact CA-OG1 3.46Å; A163-T166 PolarHBondContact O-OG1 3Å; A163-S167 WeakPolarHBondContact O-CB 3.43Å; A163-S167 PolarHBondContact O-N 3.45Å |
| 164 | T | 72 | Confident | 72.2 | Confident | 79 Ų | 79 | 114.1 Ų | 114.1 | 49% | 0.485 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.8 | -44.2 | 175.6 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | R160 R161 I162 T166 S167 E168 | R160-T164 WeakPolarHBondContact O-CG2 3.41Å; R160-T164 PolarHBondContact O-N 3.05Å; R160-T164 PolarHBondContact O-OG1 3.43Å; R161-T164 PolarHBondContact O-OG1 3.33Å; I162-T164 PolarHBondContact O-N 3.36Å; T164-T166 PolarHBondContact O-N 3.34Å; T164-S167 WeakPolarHBondContact O-CB 3.45Å; T164-S167 PolarHBondContact O-N 2.73Å; T164-E168 WeakPolarHBondContact O-CG 3.33Å; T164-E168 PolarHBondContact O-N 3.33Å |
| 165 | L | 70.6 | Confident | 71.8 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61 | -47 | 177.2 | -72.2 | 166 | 0 | 0 | 0 | 111.9 | R161 I162 S167 E168 E169 | R161-L165 WeakPolarHBondContact O-CD1 3.49Å; R161-L165 VanDerWaalsContact O-CG 3.27Å; R161-L165 WeakPolarHBondContact O-CG 3.26Å; R161-L165 PolarHBondContact O-N 3.03Å; R161-L165 VanDerWaalsContact O-N 3.15Å; I162-L165 PolarHBondContact O-N 2.87Å; L165-S167 VanDerWaalsContact C-N 3.27Å; L165-S167 PolarHBondContact O-N 3.46Å; L165-E168 PolarHBondContact O-N 3.07Å; L165-E169 WeakPolarHBondContact O-CG 3.38Å; L165-E169 PolarHBondContact O-N 2.71Å |
| 166 | T | 66.9 | Low | 71 | Confident | 60 Ų | 60 | 117.5 Ų | 117.5 | 37% | 0.368 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.6 | -23.9 | 176.9 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | I162 A163 T164 R170 | I162-T166 HydrophobicContact CG2-CG2 4.07Å; I162-T166 WeakPolarHBondContact O-CB 3.31Å; I162-T166 VanDerWaalsContact O-CG2 3.26Å; I162-T166 WeakPolarHBondContact O-CG2 3.44Å; I162-T166 PolarHBondContact O-N 2.72Å; I162-T166 PolarHBondContact O-OG1 2.99Å; A163-T166 WeakPolarHBondContact CA-OG1 3.46Å; A163-T166 PolarHBondContact O-OG1 3Å; T164-T166 PolarHBondContact O-N 3.34Å; T166-R170 WeakPolarHBondContact O-CG 3.39Å |
| 167 | S | 62.2 | Low | 70.2 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76.2 | -35.9 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | A163 T164 L165 A171 | A163-S167 WeakPolarHBondContact O-CB 3.43Å; A163-S167 PolarHBondContact O-N 3.45Å; T164-S167 WeakPolarHBondContact O-CB 3.45Å; T164-S167 PolarHBondContact O-N 2.73Å; L165-S167 VanDerWaalsContact C-N 3.27Å; L165-S167 PolarHBondContact O-N 3.46Å; S167-A171 PolarHBondContact O-N 3.28Å |
| 168 | E | 58.8 | Low | 69.4 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.9 | -37.4 | 176.9 | -73.2 | 175.5 | -179.6 | 0 | 0 | 111.6 | T164 L165 R170 A171 | T164-E168 WeakPolarHBondContact O-CG 3.33Å; T164-E168 PolarHBondContact O-N 3.33Å; L165-E168 PolarHBondContact O-N 3.07Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 PolarHBondContact O-N 3.16Å; E168-A171 PolarHBondContact O-N 3.24Å |
| 169 | E | 58.4 | Low | 68.3 | Low | 145 Ų | 145 | 120 Ų | 120 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -23 | 174.8 | -74 | 176.8 | 160.1 | 0 | 0 | 114.2 | L165 | L165-E169 WeakPolarHBondContact O-CG 3.38Å; L165-E169 PolarHBondContact O-N 2.71Å |
| 170 | R | 58.3 | Low | 67 | Low | 221 Ų | 221 | 120.8 Ų | 120.8 | 83% | 0.834 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.9 | 175.9 | -76.1 | 179.8 | 173.9 | 174 | 0 | 113.8 | T166 E168 | T166-R170 WeakPolarHBondContact O-CG 3.39Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 PolarHBondContact O-N 3.16Å |
| 171 | A | 53 | Low | 65.6 | Low | 87 Ų | 87 | 116.5 Ų | 116.5 | 72% | 0.719 | 61% | 0.611 | S | S | * | * | trans | -101.4 | 2.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S167 E168 | S167-A171 PolarHBondContact O-N 3.28Å; E168-A171 PolarHBondContact O-N 3.24Å | ||
| 172 | L | 45.7 | Very low | 64 | Low | 213 Ų | 213 | 115.1 Ų | 115.1 | 100% | 1.115 | 62% | 0.621 | S | S | * | * | trans | -102.8 | 0 | 168 | -71.4 | 168.2 | 0 | 0 | 0 | 110.1 |
Retrieved 172 of 172 residues in 27.3 ms
(Link to these results)