| 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 | S | 38.6 | Very low | 45.8 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 100% | 1.259 | 77% | 0.766 | S | S | * | * | 0 | 111.2 | 0 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 2 | S | 42.9 | Very low | 46.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -101.5 | 109.6 | -177.3 | 44.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | A | 39 | Very low | 46.4 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -96.4 | 105 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | L | 46.1 | Very low | 46.7 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | -86.8 | 101.3 | 176 | -165.7 | 90.6 | 0 | 0 | 0 | 106.9 | R6 | L4-R6 HydrophobicContact CD2-CG 4.18Å; L4-R6 PolarHBondContact O-N 3.26Å | ||
| 5 | E | 43.9 | Very low | 47.1 | Very low | 186 Ų | 186 | 119.9 Ų | 119.9 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -69.2 | 98.7 | 168.8 | -79.6 | -165.9 | 141.6 | 0 | 0 | 108.8 | ||||
| 6 | R | 45.7 | Very low | 47.4 | Very low | 196 Ų | 196 | 118.9 Ų | 118.9 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | trans | -77.3 | 115.9 | 160.5 | -75.1 | -173.2 | -175.3 | 94.5 | -1.6 | 107.1 | L4 | L4-R6 HydrophobicContact CD2-CG 4.18Å; L4-R6 PolarHBondContact O-N 3.26Å | ||
| 7 | T | 49.6 | Very low | 47.9 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 76% | 0.761 | 70% | 0.696 | S | S | * | * | trans | -88.6 | 113 | 169.3 | 35.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | D | 45 | Very low | 49.1 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 54% | 0.54 | 69% | 0.689 | S | S | . | * | trans | -70.3 | 135.6 | -178.5 | -65.8 | -42.1 | 0 | 0 | 0 | 111.5 | A10 T11 | D8-A10 PolarHBondContact O-N 3.45Å; D8-T11 PolarHBondContact O-N 3.46Å | ||
| 9 | P | 51.9 | Low | 49.6 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.4 | -16.6 | -179 | 27 | -34.5 | 0 | 0 | 0 | 113.5 | T11 | P9-T11 VanDerWaalsContact C-N 3.35Å |
| 10 | A | 50.7 | Low | 50.1 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 60% | 0.603 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.8 | -31.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D8 I12 S13 S14 | D8-A10 PolarHBondContact O-N 3.45Å; A10-I12 VanDerWaalsContact C-N 3.28Å; A10-I12 PolarHBondContact O-N 3.47Å; A10-S13 PolarHBondContact O-N 3.07Å; A10-S14 PolarHBondContact O-N 2.87Å |
| 11 | T | 50 | Low | 50.6 | Low | 90 Ų | 90 | 111.1 Ų | 111.1 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.2 | -27.9 | -178.6 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | D8 P9 T15 | D8-T11 PolarHBondContact O-N 3.46Å; P9-T11 VanDerWaalsContact C-N 3.35Å; T11-T15 PolarHBondContact O-N 2.87Å; T11-T15 PolarHBondContact O-OG1 3.15Å |
| 12 | I | 50 | Low | 51.5 | Low | 115 Ų | 115 | 108.3 Ų | 108.3 | 59% | 0.59 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.8 | -32 | 177.9 | -57 | 174.6 | 0 | 0 | 0 | 111.1 | A10 T15 | A10-I12 VanDerWaalsContact C-N 3.28Å; A10-I12 PolarHBondContact O-N 3.47Å; I12-T15 WeakPolarHBondContact CA-OG1 3.21Å; I12-T15 PolarHBondContact O-OG1 3.21Å; I12-T15 VanDerWaalsContact O-OG1 3.12Å |
| 13 | S | 49.4 | Very low | 52.3 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.4 | -38.6 | 176.8 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | A10 T15 M16 | A10-S13 PolarHBondContact O-N 3.07Å; S13-T15 VanDerWaalsContact C-N 3.32Å; S13-T15 PolarHBondContact O-N 2.92Å; S13-M16 PolarHBondContact O-N 2.99Å |
| 14 | S | 50.5 | Low | 53.1 | Low | 88 Ų | 88 | 107 Ų | 107 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.5 | -25.7 | 178.4 | -170 | 0 | 0 | 0 | 0 | 114.1 | A10 M16 S17 | A10-S14 PolarHBondContact O-N 2.87Å; S14-M16 VanDerWaalsContact C-N 3.26Å; S14-M16 PolarHBondContact O-N 3.05Å; S14-S17 PolarHBondContact O-OG 3.5Å |
| 15 | T | 53.7 | Low | 53.2 | Low | 87 Ų | 87 | 107 Ų | 107 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -5.5 | -179.4 | 25.5 | 0 | 0 | 0 | 0 | 113.6 | T11 I12 S13 W18 | T11-T15 PolarHBondContact O-N 2.87Å; T11-T15 PolarHBondContact O-OG1 3.15Å; I12-T15 WeakPolarHBondContact CA-OG1 3.21Å; I12-T15 PolarHBondContact O-OG1 3.21Å; I12-T15 VanDerWaalsContact O-OG1 3.12Å; S13-T15 VanDerWaalsContact C-N 3.32Å; S13-T15 PolarHBondContact O-N 2.92Å; T15-W18 VanDerWaalsContact O-CD1 3.22Å; T15-W18 PolarHBondContact O-NE1 2.85Å |
| 16 | M | 50.6 | Low | 53.4 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.2 | 2.2 | -175.8 | -65.5 | -85.1 | 140.2 | 0 | 0 | 112.9 | S13 S14 W18 L19 | S13-M16 PolarHBondContact O-N 2.99Å; S14-M16 VanDerWaalsContact C-N 3.26Å; S14-M16 PolarHBondContact O-N 3.05Å; M16-W18 VanDerWaalsContact C-N 3.26Å; M16-W18 PolarHBondContact O-N 2.67Å; M16-L19 WeakPolarHBondContact O-CB 3.47Å; M16-L19 PolarHBondContact O-N 3.02Å; M16-L19 VanDerWaalsContact O-N 3.08Å; M16-L19 HydrophobicContact SD-CD1 3.45Å; M16-L19 WeakPolarHBondContact SD-CD1 3.4Å |
| 17 | S | 55.9 | Low | 53.5 | Low | 73 Ų | 73 | 99.3 Ų | 99.3 | 51% | 0.51 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.2 | -33.5 | 179.6 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | S14 L19 A20 S21 | S14-S17 PolarHBondContact O-OG 3.5Å; S17-L19 PolarHBondContact O-N 2.86Å; S17-A20 PolarHBondContact O-N 2.9Å; S17-S21 PolarHBondContact O-N 3.47Å |
| 18 | W | 70.3 | Confident | 53.2 | Low | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.5 | -27.2 | 176 | 72.6 | -90.2 | 0 | 0 | 0 | 113.5 | T15 M16 Y22 | T15-W18 VanDerWaalsContact O-CD1 3.22Å; T15-W18 PolarHBondContact O-NE1 2.85Å; M16-W18 VanDerWaalsContact C-N 3.26Å; M16-W18 PolarHBondContact O-N 2.67Å; W18-Y22 PolarHBondContact O-N 2.82Å |
| 19 | L | 57.9 | Low | 53 | Low | 63 Ų | 63 | 107.6 Ų | 107.6 | 33% | 0.33 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73 | -32.8 | 177.7 | -74.9 | 169.6 | 0 | 0 | 0 | 112.2 | M16 S17 Y22 L23 | M16-L19 WeakPolarHBondContact O-CB 3.47Å; M16-L19 PolarHBondContact O-N 3.02Å; M16-L19 VanDerWaalsContact O-N 3.08Å; M16-L19 HydrophobicContact SD-CD1 3.45Å; M16-L19 WeakPolarHBondContact SD-CD1 3.4Å; S17-L19 PolarHBondContact O-N 2.86Å; L19-Y22 PolarHBondContact O-N 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 2.87Å |
| 20 | A | 60.1 | Low | 52.5 | Low | 68 Ų | 68 | 108.2 Ų | 108.2 | 56% | 0.562 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S17 Y22 L23 A24 | S17-A20 PolarHBondContact O-N 2.9Å; A20-Y22 VanDerWaalsContact C-N 3.34Å; A20-Y22 PolarHBondContact O-N 2.63Å; A20-L23 PolarHBondContact O-N 2.88Å; A20-A24 PolarHBondContact O-N 3.19Å |
| 21 | S | 60.5 | Low | 51.5 | Low | 78 Ų | 78 | 110.3 Ų | 110.3 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.6 | -38.2 | 174.4 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | S17 L23 A24 | S17-S21 PolarHBondContact O-N 3.47Å; S21-L23 VanDerWaalsContact C-N 3.34Å; S21-L23 PolarHBondContact O-N 3.2Å; S21-A24 PolarHBondContact O-N 3.26Å |
| 22 | Y | 57.6 | Low | 50.9 | Low | 121 Ų | 121 | 111.1 Ų | 111.1 | 48% | 0.475 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.4 | -29 | -179.9 | -171.9 | -102 | 0 | 0 | 0 | 113.9 | W18 L19 A20 R121 | W18-Y22 PolarHBondContact O-N 2.82Å; L19-Y22 PolarHBondContact O-N 3.46Å; A20-Y22 VanDerWaalsContact C-N 3.34Å; A20-Y22 PolarHBondContact O-N 2.63Å; Y22-R121 VanDerWaalsContact CE1-NH2 3.33Å; Y22-R121 PolarHBondContact OH-NH1 3.27Å |
| 23 | L | 60.5 | Low | 50.4 | Low | 126 Ų | 126 | 108.5 Ų | 108.5 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.7 | -26 | 177 | -72.6 | 169.4 | 0 | 0 | 0 | 112.6 | L19 A20 S21 | L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 2.87Å; A20-L23 PolarHBondContact O-N 2.88Å; S21-L23 VanDerWaalsContact C-N 3.34Å; S21-L23 PolarHBondContact O-N 3.2Å |
| 24 | A | 54.5 | Low | 50 | Low | 71 Ų | 71 | 112.8 Ų | 112.8 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.8 | -26.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A20 S21 | A20-A24 PolarHBondContact O-N 3.19Å; S21-A24 PolarHBondContact O-N 3.26Å |
| 25 | D | 48.9 | Very low | 49.3 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -86.6 | -10 | -177.7 | -74.4 | -24.9 | 0 | 0 | 0 | 113.9 | D27 | D25-D27 VanDerWaalsContact C-N 3.3Å; D25-D27 PolarHBondContact O-N 2.77Å |
| 26 | A | 49.1 | Very low | 48.5 | Very low | 73 Ų | 73 | 117.9 Ų | 117.9 | 60% | 0.603 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -76.7 | -12.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 27 | D | 46.7 | Very low | 47.7 | Very low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -97.4 | 12 | -172.8 | -78.1 | -23.9 | 0 | 0 | 0 | 114.7 | D25 | D25-D27 VanDerWaalsContact C-N 3.3Å; D25-D27 PolarHBondContact O-N 2.77Å |
| 28 | R | 43.7 | Very low | 46.8 | Very low | 233 Ų | 233 | 123 Ų | 123 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -121.5 | 88.9 | 177.8 | -77.6 | -178.2 | 170.6 | 177.5 | -2.2 | 112.5 | ||||
| 29 | L | 40.8 | Very low | 45.7 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -106.9 | 133.1 | 160.9 | -81 | 167.7 | 0 | 0 | 0 | 110 | ||||
| 30 | P | 40.3 | Very low | 44.6 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -76.3 | 130.4 | 174.8 | -6.7 | 23.5 | 0 | 0 | 0 | 111.2 | A32 | P30-A32 PolarHBondContact O-N 3.38Š| ||
| 31 | S | 31.1 | Very low | 43.3 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -66.7 | 111.9 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | A33 | S31-A33 PolarHBondContact O-N 3.16Š| ||
| 32 | A | 37.3 | Very low | 42.2 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -92.8 | 86.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | P30 | P30-A32 PolarHBondContact O-N 3.38Š| ||
| 33 | A | 39.8 | Very low | 41.4 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 50% | 0.496 | 78% | 0.777 | S | S | . | * | trans | -120.2 | 155.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S31 | S31-A33 PolarHBondContact O-N 3.16Š| ||
| 34 | H | 40.3 | Very low | 40.6 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 109 | -170.3 | -37.4 | -68.8 | 0 | 0 | 0 | 110.6 | ||||
| 35 | I | 35.3 | Very low | 39.9 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | -161 | 126.6 | 62.1 | -73.2 | 147.3 | 0 | 0 | 0 | 107.9 | |||||
| 36 | S | 37.4 | Very low | 39.6 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -141.9 | 109.7 | 163.7 | -175.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 37 | L | 33 | Very low | 39.3 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -166.3 | 119.8 | 165.2 | -94.3 | 128.9 | 0 | 0 | 0 | 110.4 | ||||
| 38 | S | 37.9 | Very low | 39.1 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -148.9 | 149 | 150.8 | -79.5 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 39 | P | 46.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | -158.2 | 177.2 | 54.2 | 41.7 | -19.3 | 0 | 0 | 0 | 118.1 | |||||
| 40 | A | 35.9 | Very low | 39.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 63.2 | 123.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 41 | G | 32.8 | Very low | 39.1 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -178.4 | 102.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 42 | S | 35.9 | Very low | 39.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101 | 131.3 | 160.4 | -81 | 0 | 0 | 0 | 0 | 108.4 | ||
| 43 | P | 42.7 | Very low | 40.5 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 131.1 | 163.9 | 32.4 | -23.4 | 0 | 0 | 0 | 110.5 | ||
| 44 | V | 42.3 | Very low | 40.9 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 129.2 | 163 | 168.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 45 | S | 39.4 | Very low | 41.7 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -115.8 | 115.2 | 168 | -69.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 46 | E | 43.6 | Very low | 42.9 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -79.8 | 113.7 | 176.9 | -165.5 | 172.1 | -157.6 | 0 | 0 | 107.8 | ||||
| 47 | V | 41.7 | Very low | 43.9 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -120 | 115.8 | 173.7 | -169 | 0 | 0 | 0 | 0 | 107.6 | F49 | V47-F49 PolarHBondContact O-N 2.96Š| ||
| 48 | A | 43.3 | Very low | 45.4 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -64.8 | 114.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E50 | A48-E50 PolarHBondContact O-N 2.74Š| ||
| 49 | F | 37.4 | Very low | 46.7 | Very low | 193 Ų | 193 | 117.7 Ų | 117.7 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -75.8 | 116 | 172.4 | -94 | -95 | 0 | 0 | 0 | 109.5 | V47 K51 | V47-F49 PolarHBondContact O-N 2.96Å; F49-K51 PolarHBondContact O-N 3.43Å | ||
| 50 | E | 47.8 | Very low | 47.4 | Very low | 183 Ų | 183 | 117.3 Ų | 117.3 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -61.5 | 131.6 | 154.5 | -78.8 | -149.6 | 154.7 | 0 | 0 | 108.8 | A48 P52 | A48-E50 PolarHBondContact O-N 2.74Å; E50-P52 WeakPolarHBondContact O-CD 3.46Å | ||
| 51 | K | 40.3 | Very low | 48.7 | Very low | 188 Ų | 188 | 115.6 Ų | 115.6 | 82% | 0.817 | 69% | 0.693 | S | S | * | * | trans | -75.6 | 110.7 | -177.2 | -176.4 | 175.5 | 179.3 | 177.2 | 0 | 109.2 | F49 S53 | F49-K51 PolarHBondContact O-N 3.43Å; K51-S53 PolarHBondContact O-N 3.45Å | ||
| 52 | P | 43.6 | Very low | 50.2 | Low | 104 Ų | 104 | 118.9 Ų | 118.9 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 134.5 | 172 | -8.6 | 26 | 0 | 0 | 0 | 107.9 | E50 L54 | E50-P52 WeakPolarHBondContact O-CD 3.46Å; P52-L54 PolarHBondContact O-N 3.46Å |
| 53 | S | 54 | Low | 51.5 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.4 | 169.9 | 49.2 | 0 | 0 | 0 | 0 | 109.3 | K51 P55 | K51-S53 PolarHBondContact O-N 3.45Å; S53-P55 WeakPolarHBondContact O-CD 3.13Å |
| 54 | L | 47.7 | Very low | 52.6 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 126.3 | -179.4 | -82.9 | 156.4 | 0 | 0 | 0 | 109.4 | P52 W60 | P52-L54 PolarHBondContact O-N 3.46Å; L54-W60 HydrophobicContact CD2-CZ2 4.06Å |
| 55 | P | 56.4 | Low | 53.6 | Low | 58 Ų | 58 | 115.7 Ų | 115.7 | 38% | 0.377 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 150.7 | 171.4 | -16.8 | 23.5 | 0 | 0 | 0 | 110.9 | S53 D59 W60 | S53-P55 WeakPolarHBondContact O-CD 3.13Å; P55-D59 HydrophobicContact CB-CB 3.56Å; P55-W60 HydrophobicContact CB-CG 4.45Å; P55-W60 HydrophobicContact CG-CZ2 3.93Å; P55-W60 PolarHBondContact O-NE1 3.46Å |
| 56 | S | 61.8 | Low | 54.4 | Low | 73 Ų | 73 | 114.1 Ų | 114.1 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 154.5 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | A58 D59 W60 | S56-A58 PolarHBondContact O-N 3.19Å; S56-D59 WeakPolarHBondContact CB-OD2 3.12Å; S56-D59 PolarHBondContact N-OD2 3.47Å; S56-D59 WeakPolarHBondContact O-CA 3.5Å; S56-D59 WeakPolarHBondContact O-CB 3.38Å; S56-D59 PolarHBondContact O-N 3.14Å; S56-W60 PolarHBondContact O-N 2.9Å |
| 57 | A | 58.4 | Low | 54.8 | Low | 77 Ų | 77 | 107.3 Ų | 107.3 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.2 | -26.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S61 | A57-S61 WeakPolarHBondContact O-CB 3.17Å; A57-S61 PolarHBondContact O-N 3.38Å; A57-S61 PolarHBondContact O-OG 3.11Å |
| 58 | A | 65 | Low | 55.2 | Low | 62 Ų | 62 | 106 Ų | 106 | 51% | 0.512 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.9 | -42.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S56 W60 S61 E62 | S56-A58 PolarHBondContact O-N 3.19Å; A58-W60 PolarHBondContact O-N 2.87Å; A58-S61 PolarHBondContact O-N 2.83Å; A58-S61 VanDerWaalsContact O-N 3.15Å; A58-E62 WeakPolarHBondContact O-CB 3.18Å; A58-E62 PolarHBondContact O-N 3.23Å |
| 59 | D | 65.3 | Low | 55.9 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.6 | -38.7 | 176.3 | -55.2 | -32.6 | 0 | 0 | 0 | 111.2 | P55 S56 S61 F63 | P55-D59 HydrophobicContact CB-CB 3.56Å; S56-D59 WeakPolarHBondContact CB-OD2 3.12Å; S56-D59 PolarHBondContact N-OD2 3.47Å; S56-D59 WeakPolarHBondContact O-CA 3.5Å; S56-D59 WeakPolarHBondContact O-CB 3.38Å; S56-D59 PolarHBondContact O-N 3.14Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-F63 WeakPolarHBondContact O-CB 3.47Å; D59-F63 PolarHBondContact O-N 2.96Å |
| 60 | W | 59.5 | Low | 57.1 | Low | 108 Ų | 108 | 103 Ų | 103 | 41% | 0.409 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.6 | -36.8 | 172 | -76.2 | 103.6 | 0 | 0 | 0 | 112.2 | L54 P55 S56 A58 L64 | L54-W60 HydrophobicContact CD2-CZ2 4.06Å; P55-W60 HydrophobicContact CB-CG 4.45Å; P55-W60 HydrophobicContact CG-CZ2 3.93Å; P55-W60 PolarHBondContact O-NE1 3.46Å; S56-W60 PolarHBondContact O-N 2.9Å; A58-W60 PolarHBondContact O-N 2.87Å; W60-L64 WeakPolarHBondContact O-CB 3.17Å; W60-L64 WeakPolarHBondContact O-CD1 3.37Å; W60-L64 WeakPolarHBondContact O-CG 3.11Å; W60-L64 PolarHBondContact O-N 2.88Å |
| 61 | S | 63.5 | Low | 57.8 | Low | 69 Ų | 69 | 101.8 Ų | 101.8 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71 | -40.7 | 178.5 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | A57 A58 D59 S65 | A57-S61 WeakPolarHBondContact O-CB 3.17Å; A57-S61 PolarHBondContact O-N 3.38Å; A57-S61 PolarHBondContact O-OG 3.11Å; A58-S61 PolarHBondContact O-N 2.83Å; A58-S61 VanDerWaalsContact O-N 3.15Å; D59-S61 VanDerWaalsContact C-N 3.33Å; S61-S65 WeakPolarHBondContact O-CB 3.48Å; S61-S65 PolarHBondContact O-N 2.81Å; S61-S65 PolarHBondContact O-OG 3.4Å |
| 62 | E | 65.1 | Low | 58.9 | Low | 145 Ų | 145 | 95.5 Ų | 95.5 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.8 | -42.6 | 175 | -172.4 | 173.1 | -178.5 | 0 | 0 | 111.5 | A58 S65 A66 | A58-E62 WeakPolarHBondContact O-CB 3.18Å; A58-E62 PolarHBondContact O-N 3.23Å; E62-S65 PolarHBondContact O-N 3.33Å; E62-A66 WeakPolarHBondContact O-CB 3.23Å; E62-A66 PolarHBondContact O-N 3.41Å |
| 63 | F | 63.6 | Low | 59.8 | Low | 138 Ų | 138 | 96.3 Ų | 96.3 | 61% | 0.605 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.2 | -45.7 | 176 | -176.5 | -97.6 | 0 | 0 | 0 | 112.5 | D59 A66 S67 | D59-F63 WeakPolarHBondContact O-CB 3.47Å; D59-F63 PolarHBondContact O-N 2.96Å; F63-A66 PolarHBondContact O-N 3.4Å; F63-S67 WeakPolarHBondContact O-CB 3.21Å; F63-S67 PolarHBondContact O-N 3.47Å |
| 64 | L | 64.3 | Low | 60.3 | Low | 97 Ų | 97 | 93.8 Ų | 93.8 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 176.7 | -69.7 | 171.1 | 0 | 0 | 0 | 111.3 | W60 S67 T68 | W60-L64 WeakPolarHBondContact O-CB 3.17Å; W60-L64 WeakPolarHBondContact O-CD1 3.37Å; W60-L64 WeakPolarHBondContact O-CG 3.11Å; W60-L64 PolarHBondContact O-N 2.88Å; L64-S67 CarbonylContact O-C 3.5Å; L64-S67 PolarHBondContact O-N 2.98Å; L64-T68 WeakPolarHBondContact O-CG2 3.21Å; L64-T68 PolarHBondContact O-N 2.82Å; L64-T68 PolarHBondContact O-OG1 3.03Å |
| 65 | S | 63.3 | Low | 60.9 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.3 | -33.2 | 176.8 | -57 | 0 | 0 | 0 | 0 | 112.7 | S61 E62 S67 T68 | S61-S65 WeakPolarHBondContact O-CB 3.48Å; S61-S65 PolarHBondContact O-N 2.81Å; S61-S65 PolarHBondContact O-OG 3.4Å; E62-S65 PolarHBondContact O-N 3.33Å; S65-S67 VanDerWaalsContact C-N 3.31Å; S65-T68 WeakPolarHBondContact CA-OG1 3.48Å; S65-T68 PolarHBondContact O-OG1 3.45Å |
| 66 | A | 57.8 | Low | 60.9 | Low | 72 Ų | 72 | 95.1 Ų | 95.1 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.8 | -29.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E62 F63 | E62-A66 WeakPolarHBondContact O-CB 3.23Å; E62-A66 PolarHBondContact O-N 3.41Å; F63-A66 PolarHBondContact O-N 3.4Å |
| 67 | S | 50.9 | Low | 60.8 | Low | 54 Ų | 54 | 94.5 Ų | 94.5 | 38% | 0.378 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -83.7 | -16.4 | 177.3 | -170.9 | 0 | 0 | 0 | 0 | 114 | F63 L64 S65 S69 V72 | F63-S67 WeakPolarHBondContact O-CB 3.21Å; F63-S67 PolarHBondContact O-N 3.47Å; L64-S67 CarbonylContact O-C 3.5Å; L64-S67 PolarHBondContact O-N 2.98Å; S65-S67 VanDerWaalsContact C-N 3.31Å; S67-S69 PolarHBondContact O-N 2.81Å; S67-V72 WeakPolarHBondContact O-CB 3.33Å; S67-V72 WeakPolarHBondContact O-CG1 3.39Å |
| 68 | T | 50.1 | Low | 60.9 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 32.4 | 170.3 | 56 | 0 | 0 | 0 | 0 | 111.4 | L64 S65 | L64-T68 WeakPolarHBondContact O-CG2 3.21Å; L64-T68 PolarHBondContact O-N 2.82Å; L64-T68 PolarHBondContact O-OG1 3.03Å; S65-T68 WeakPolarHBondContact CA-OG1 3.48Å; S65-T68 PolarHBondContact O-OG1 3.45Å |
| 69 | S | 58 | Low | 60.7 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | trans | -63.2 | 136.6 | 165 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | S67 K71 V72 E73 | S67-S69 PolarHBondContact O-N 2.81Å; S69-K71 CarbonylContact O-C 3.47Å; S69-K71 PolarHBondContact O-N 3.06Å; S69-K71 PolarHBondContact OG-N 2.96Å; S69-V72 WeakPolarHBondContact O-CA 3.27Å; S69-V72 PolarHBondContact O-N 3.28Å; S69-E73 PolarHBondContact O-N 3.22Å; S69-E73 VanDerWaalsContact O-N 3.16Å | ||
| 70 | E | 62.8 | Low | 61 | Low | 174 Ų | 174 | 102 Ų | 102 | 81% | 0.813 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -50 | -26.9 | 172.6 | -151.6 | 175.5 | -161.2 | 0 | 0 | 111.7 | S74 | E70-S74 WeakPolarHBondContact O-CB 3.46Å; E70-S74 PolarHBondContact O-N 3.14Å; E70-S74 VanDerWaalsContact O-N 3.11Å |
| 71 | K | 61.9 | Low | 61.7 | Low | 158 Ų | 158 | 101.5 Ų | 101.5 | 69% | 0.687 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 169.5 | -95.6 | -177.4 | 172.2 | -177.9 | 0 | 114.2 | S69 S74 E75 | S69-K71 CarbonylContact O-C 3.47Å; S69-K71 PolarHBondContact O-N 3.06Å; S69-K71 PolarHBondContact OG-N 2.96Å; K71-S74 PolarHBondContact O-N 3.39Å; K71-E75 WeakPolarHBondContact O-CB 3.25Å; K71-E75 WeakPolarHBondContact O-CG 3.21Å; K71-E75 PolarHBondContact O-N 3.2Å |
| 72 | V | 64.5 | Low | 62.8 | Low | 56 Ų | 56 | 100.8 Ų | 100.8 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.9 | -36.5 | -177.6 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | S67 S69 E75 L76 | S67-V72 WeakPolarHBondContact O-CB 3.33Å; S67-V72 WeakPolarHBondContact O-CG1 3.39Å; S69-V72 WeakPolarHBondContact O-CA 3.27Å; S69-V72 PolarHBondContact O-N 3.28Å; V72-E75 PolarHBondContact O-N 3.22Å; V72-L76 VanDerWaalsContact O-CB 3.23Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 PolarHBondContact O-N 3.16Å |
| 73 | E | 62.3 | Low | 63.7 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.7 | -37.2 | 170.9 | -68.8 | -168.3 | 160.3 | 0 | 0 | 112.1 | S69 L76 A77 | S69-E73 PolarHBondContact O-N 3.22Å; S69-E73 VanDerWaalsContact O-N 3.16Å; E73-L76 PolarHBondContact O-N 3.28Å; E73-A77 WeakPolarHBondContact O-CB 3.39Å; E73-A77 PolarHBondContact O-N 3.45Å |
| 74 | S | 64.4 | Low | 64.9 | Low | 61 Ų | 61 | 99.6 Ų | 99.6 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.9 | -39.8 | 171.8 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | E70 K71 A77 Q78 | E70-S74 WeakPolarHBondContact O-CB 3.46Å; E70-S74 PolarHBondContact O-N 3.14Å; E70-S74 VanDerWaalsContact O-N 3.11Å; K71-S74 PolarHBondContact O-N 3.39Å; S74-A77 PolarHBondContact O-N 2.86Å; S74-Q78 VanDerWaalsContact O-CG 3.25Å; S74-Q78 WeakPolarHBondContact O-CG 3.43Å; S74-Q78 PolarHBondContact O-N 2.86Å; S74-Q78 PolarHBondContact O-NE2 3.31Å; S74-Q78 PolarHBondContact OG-NE2 3.06Å |
| 75 | E | 59.8 | Low | 66.2 | Low | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 173.2 | -76.5 | -174.3 | -174.2 | 0 | 0 | 111.9 | K71 V72 Q78 L79 | K71-E75 WeakPolarHBondContact O-CB 3.25Å; K71-E75 WeakPolarHBondContact O-CG 3.21Å; K71-E75 PolarHBondContact O-N 3.2Å; V72-E75 PolarHBondContact O-N 3.22Å; E75-Q78 CarbonylContact O-C 3.37Å; E75-Q78 WeakPolarHBondContact O-CB 3.37Å; E75-Q78 PolarHBondContact O-N 3.39Å; E75-L79 VanDerWaalsContact O-CG 3.27Å; E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 3.44Å |
| 76 | L | 57.4 | Low | 67.4 | Low | 111 Ų | 111 | 100.8 Ų | 100.8 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.4 | -36.7 | 174.2 | -165 | 72.1 | 0 | 0 | 0 | 112 | V72 E73 Q78 L79 T80 | V72-L76 VanDerWaalsContact O-CB 3.23Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 PolarHBondContact O-N 3.16Å; E73-L76 PolarHBondContact O-N 3.28Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-L79 HydrophobicContact CD1-CD1 4.17Å; L76-L79 WeakPolarHBondContact O-CB 3.29Å; L76-L79 PolarHBondContact O-N 2.97Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L76-T80 PolarHBondContact O-N 3.46Å |
| 77 | A | 59.2 | Low | 69.2 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 50% | 0.496 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.2 | -30.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E73 S74 L79 T80 | E73-A77 WeakPolarHBondContact O-CB 3.39Å; E73-A77 PolarHBondContact O-N 3.45Å; S74-A77 PolarHBondContact O-N 2.86Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-T80 WeakPolarHBondContact CA-OG1 3.32Å; A77-T80 PolarHBondContact O-N 2.88Å; A77-T80 VanDerWaalsContact O-O 3.07Å; A77-T80 PolarHBondContact O-OG1 3.24Å |
| 78 | Q | 59.9 | Low | 71.3 | Confident | 149 Ų | 149 | 108.8 Ų | 108.8 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.8 | -20.8 | 168.8 | -72 | 168.5 | 45.7 | 0 | 0 | 112.9 | S74 E75 L76 | S74-Q78 VanDerWaalsContact O-CG 3.25Å; S74-Q78 WeakPolarHBondContact O-CG 3.43Å; S74-Q78 PolarHBondContact O-N 2.86Å; S74-Q78 PolarHBondContact O-NE2 3.31Å; S74-Q78 PolarHBondContact OG-NE2 3.06Å; E75-Q78 CarbonylContact O-C 3.37Å; E75-Q78 WeakPolarHBondContact O-CB 3.37Å; E75-Q78 PolarHBondContact O-N 3.39Å; L76-Q78 VanDerWaalsContact C-N 3.32Å |
| 79 | L | 60.2 | Low | 73.4 | Confident | 140 Ų | 140 | 109.4 Ų | 109.4 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.9 | -17.1 | 172.7 | -73.3 | 165.4 | 0 | 0 | 0 | 112.8 | E75 L76 A77 | E75-L79 VanDerWaalsContact O-CG 3.27Å; E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 3.44Å; L76-L79 HydrophobicContact CD1-CD1 4.17Å; L76-L79 WeakPolarHBondContact O-CB 3.29Å; L76-L79 PolarHBondContact O-N 2.97Å; L76-L79 VanDerWaalsContact O-N 3.14Å; A77-L79 VanDerWaalsContact C-N 3.32Å |
| 80 | T | 72.2 | Confident | 75.2 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -90.5 | 126 | 168.9 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | L76 A77 S82 | L76-T80 PolarHBondContact O-N 3.46Å; A77-T80 WeakPolarHBondContact CA-OG1 3.32Å; A77-T80 PolarHBondContact O-N 2.88Å; A77-T80 VanDerWaalsContact O-O 3.07Å; A77-T80 PolarHBondContact O-OG1 3.24Å; T80-S82 PolarHBondContact O-N 3.4Å |
| 81 | L | 75 | Confident | 76.8 | Confident | 98 Ų | 98 | 109.5 Ų | 109.5 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | trans | -44.5 | 127.6 | 175.1 | -90.6 | 145.7 | 0 | 0 | 0 | 111.5 | E85 Q86 L89 | L81-E85 HydrophobicContact CD2-CB 3.36Å; L81-E85 HydrophobicContact CD2-CG 4.28Å; L81-Q86 HydrophobicContact CB-CG 4.38Å; L81-L89 HydrophobicContact CD1-CD1 4.27Å; L81-L89 HydrophobicContact CD2-CD1 3.94Å | ||
| 82 | S | 85.1 | Confident | 78.4 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | trans | -67.4 | 155 | 175.3 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | T80 H84 E85 Q86 | T80-S82 PolarHBondContact O-N 3.4Å; S82-H84 PolarHBondContact O-N 2.92Å; S82-E85 WeakPolarHBondContact CB-OE2 3.33Å; S82-E85 PolarHBondContact N-OE2 2.91Å; S82-E85 PolarHBondContact O-N 3.46Å; S82-E85 WeakPolarHBondContact OG-CG 3.44Å; S82-E85 PolarHBondContact OG-N 2.94Å; S82-E85 PolarHBondContact OG-OE2 3.34Å; S82-Q86 PolarHBondContact O-N 3.01Å | ||
| 83 | D | 85.8 | Confident | 79.9 | Confident | 137 Ų | 137 | 104 Ų | 104 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -53 | -31.6 | 176.5 | -76.4 | -15.6 | 0 | 0 | 0 | 112.8 | R87 | D83-R87 WeakPolarHBondContact O-CB 3.14Å; D83-R87 PolarHBondContact O-N 2.88Å; D83-R87 VanDerWaalsContact O-N 3.1Å |
| 84 | H | 88.6 | Confident | 81.6 | Confident | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -50.5 | 176.6 | 179 | 34.8 | 0 | 0 | 0 | 111.7 | S82 Q86 R87 E88 | S82-H84 PolarHBondContact O-N 2.92Å; H84-Q86 VanDerWaalsContact C-N 3.33Å; H84-Q86 PolarHBondContact O-N 2.93Å; H84-R87 WeakPolarHBondContact O-CB 3.3Å; H84-R87 PolarHBondContact O-N 3.43Å; H84-R87 VanDerWaalsContact O-N 3.09Å; H84-E88 IonicContact CE1-OE1 2.86Å; H84-E88 PolarHBondContact CE1-OE1 3.42Å; H84-E88 IonicContact NE2-OE1 3.18Å; H84-E88 PolarHBondContact NE2-OE1 3.33Å; H84-E88 WeakPolarHBondContact O-CG 3.28Å; H84-E88 PolarHBondContact O-N 3.26Å |
| 85 | E | 90.2 | Very high | 83.2 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 179.4 | -65.5 | 163.3 | 131.5 | 0 | 0 | 111.4 | L81 S82 R87 E88 L89 | L81-E85 HydrophobicContact CD2-CB 3.36Å; L81-E85 HydrophobicContact CD2-CG 4.28Å; S82-E85 WeakPolarHBondContact CB-OE2 3.33Å; S82-E85 PolarHBondContact N-OE2 2.91Å; S82-E85 PolarHBondContact O-N 3.46Å; S82-E85 WeakPolarHBondContact OG-CG 3.44Å; S82-E85 PolarHBondContact OG-N 2.94Å; S82-E85 PolarHBondContact OG-OE2 3.34Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 3.43Å; E85-E88 PolarHBondContact O-N 2.88Å; E85-L89 WeakPolarHBondContact O-CB 3.39Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.29Å; E85-L89 PolarHBondContact O-N 2.89Å |
| 86 | Q | 90.1 | Very high | 85 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 171.2 | -94.4 | -171.8 | -20.9 | 0 | 0 | 112.2 | L81 S82 H84 L89 Y90 | L81-Q86 HydrophobicContact CB-CG 4.38Å; S82-Q86 PolarHBondContact O-N 3.01Å; H84-Q86 VanDerWaalsContact C-N 3.33Å; H84-Q86 PolarHBondContact O-N 2.93Å; Q86-L89 PolarHBondContact O-N 3.37Å; Q86-Y90 WeakPolarHBondContact O-CB 3.46Å; Q86-Y90 PolarHBondContact O-N 2.98Å |
| 87 | R | 94.2 | Very high | 86.9 | Confident | 184 Ų | 184 | 106.2 Ų | 106.2 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 178.9 | -164.4 | 164.6 | -170.3 | 166 | 1.9 | 112.1 | D83 H84 E85 Y90 E91 | D83-R87 WeakPolarHBondContact O-CB 3.14Å; D83-R87 PolarHBondContact O-N 2.88Å; D83-R87 VanDerWaalsContact O-N 3.1Å; H84-R87 WeakPolarHBondContact O-CB 3.3Å; H84-R87 PolarHBondContact O-N 3.43Å; H84-R87 VanDerWaalsContact O-N 3.09Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 3.43Å; R87-Y90 PolarHBondContact O-N 3.44Å; R87-E91 WeakPolarHBondContact O-CG 3.41Å; R87-E91 PolarHBondContact O-N 2.94Å |
| 88 | E | 94.7 | Very high | 88.6 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 173.5 | -69.6 | -168.4 | 155 | 0 | 0 | 112 | H84 E85 Y90 E91 A92 | H84-E88 IonicContact CE1-OE1 2.86Å; H84-E88 PolarHBondContact CE1-OE1 3.42Å; H84-E88 IonicContact NE2-OE1 3.18Å; H84-E88 PolarHBondContact NE2-OE1 3.33Å; H84-E88 WeakPolarHBondContact O-CG 3.28Å; H84-E88 PolarHBondContact O-N 3.26Å; E85-E88 PolarHBondContact O-N 2.88Å; E88-Y90 VanDerWaalsContact C-N 3.32Å; E88-Y90 PolarHBondContact O-N 3.4Å; E88-E91 PolarHBondContact O-N 3.44Å; E88-A92 VanDerWaalsContact O-CB 3.32Å; E88-A92 WeakPolarHBondContact O-CB 3.47Å; E88-A92 PolarHBondContact O-N 2.94Å |
| 89 | L | 94.8 | Very high | 90.3 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.2 | -72.1 | 172.8 | 0 | 0 | 0 | 111.9 | L81 E85 Q86 A92 A93 | L81-L89 HydrophobicContact CD1-CD1 4.27Å; L81-L89 HydrophobicContact CD2-CD1 3.94Å; E85-L89 WeakPolarHBondContact O-CB 3.39Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.29Å; E85-L89 PolarHBondContact O-N 2.89Å; Q86-L89 PolarHBondContact O-N 3.37Å; L89-A92 PolarHBondContact O-N 2.85Å; L89-A93 VanDerWaalsContact O-CB 3.29Å; L89-A93 WeakPolarHBondContact O-CB 3.26Å; L89-A93 PolarHBondContact O-N 3.32Å |
| 90 | Y | 96.1 | Very high | 92.1 | Very high | 154 Ų | 154 | 101.7 Ų | 101.7 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -46.8 | 175.6 | 177.2 | -96.4 | 0 | 0 | 0 | 112.1 | Q86 R87 E88 A93 R94 | Q86-Y90 WeakPolarHBondContact O-CB 3.46Å; Q86-Y90 PolarHBondContact O-N 2.98Å; R87-Y90 PolarHBondContact O-N 3.44Å; E88-Y90 VanDerWaalsContact C-N 3.32Å; E88-Y90 PolarHBondContact O-N 3.4Å; Y90-A93 PolarHBondContact O-N 3.34Å; Y90-R94 VanDerWaalsContact O-CB 3.29Å; Y90-R94 WeakPolarHBondContact O-CB 3.32Å; Y90-R94 PolarHBondContact O-N 2.96Å |
| 91 | E | 96.8 | Very high | 93.1 | Very high | 75 Ų | 75 | 106 Ų | 106 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 177.5 | -72 | -63.5 | 168.3 | 0 | 0 | 111.8 | R87 E88 R94 L95 | R87-E91 WeakPolarHBondContact O-CG 3.41Å; R87-E91 PolarHBondContact O-N 2.94Å; E88-E91 PolarHBondContact O-N 3.44Å; E91-R94 PolarHBondContact O-N 3.43Å; E91-R94 IonicContact OE1-NH1 3.76Å; E91-R94 PolarHBondContact OE1-NH1 3.1Å; E91-R94 IonicContact OE2-CZ 3.36Å; E91-R94 IonicContact OE2-NH1 3.11Å; E91-R94 PolarHBondContact OE2-NH1 3.41Å; E91-L95 WeakPolarHBondContact O-CB 3.33Å; E91-L95 WeakPolarHBondContact O-CG 3.44Å; E91-L95 PolarHBondContact O-N 3.43Å |
| 92 | A | 96.3 | Very high | 94 | Very high | 51 Ų | 51 | 107.6 Ų | 107.6 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E88 L89 R94 L95 V96 | E88-A92 VanDerWaalsContact O-CB 3.32Å; E88-A92 WeakPolarHBondContact O-CB 3.47Å; E88-A92 PolarHBondContact O-N 2.94Å; L89-A92 PolarHBondContact O-N 2.85Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.09Å; A92-L95 PolarHBondContact O-N 2.94Å; A92-V96 WeakPolarHBondContact O-CG2 3.29Å; A92-V96 PolarHBondContact O-N 3.47Å |
| 93 | A | 95.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 112.8 Ų | 112.8 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L89 Y90 V96 Q97 | L89-A93 VanDerWaalsContact O-CB 3.29Å; L89-A93 WeakPolarHBondContact O-CB 3.26Å; L89-A93 PolarHBondContact O-N 3.32Å; Y90-A93 PolarHBondContact O-N 3.34Å; A93-V96 PolarHBondContact O-N 2.94Å; A93-Q97 WeakPolarHBondContact O-CB 3.42Å; A93-Q97 VanDerWaalsContact O-CG 3.26Å; A93-Q97 WeakPolarHBondContact O-CG 3.5Å; A93-Q97 PolarHBondContact O-N 3.3Å |
| 94 | R | 97.3 | Very high | 94.8 | Very high | 123 Ų | 123 | 113.7 Ų | 113.7 | 46% | 0.464 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.5 | -179.4 | -176.8 | 157.4 | -158.3 | 0.4 | 112.2 | Y90 E91 A92 Q97 T98 | Y90-R94 VanDerWaalsContact O-CB 3.29Å; Y90-R94 WeakPolarHBondContact O-CB 3.32Å; Y90-R94 PolarHBondContact O-N 2.96Å; E91-R94 PolarHBondContact O-N 3.43Å; E91-R94 IonicContact OE1-NH1 3.76Å; E91-R94 PolarHBondContact OE1-NH1 3.1Å; E91-R94 IonicContact OE2-CZ 3.36Å; E91-R94 IonicContact OE2-NH1 3.11Å; E91-R94 PolarHBondContact OE2-NH1 3.41Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.09Å; R94-Q97 PolarHBondContact O-N 3.46Å; R94-T98 WeakPolarHBondContact O-CB 3.48Å; R94-T98 WeakPolarHBondContact O-CG2 3.44Å; R94-T98 PolarHBondContact O-N 3.36Å; R94-T98 PolarHBondContact O-OG1 3.42Å |
| 95 | L | 97.9 | Very high | 95 | Very high | 117 Ų | 117 | 109.5 Ų | 109.5 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 174 | -79.1 | 170.4 | 0 | 0 | 0 | 111.6 | E91 A92 T98 A99 | E91-L95 WeakPolarHBondContact O-CB 3.33Å; E91-L95 WeakPolarHBondContact O-CG 3.44Å; E91-L95 PolarHBondContact O-N 3.43Å; A92-L95 PolarHBondContact O-N 2.94Å; L95-T98 WeakPolarHBondContact CA-OG1 3.34Å; L95-T98 PolarHBondContact O-N 3.11Å; L95-T98 PolarHBondContact O-OG1 3.39Å; L95-A99 VanDerWaalsContact O-CB 3.28Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.84Å |
| 96 | V | 97.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 110.9 Ų | 110.9 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 111 | A92 A93 T98 A99 F100 | A92-V96 WeakPolarHBondContact O-CG2 3.29Å; A92-V96 PolarHBondContact O-N 3.47Å; A93-V96 PolarHBondContact O-N 2.94Å; V96-T98 PolarHBondContact O-N 2.86Å; V96-A99 PolarHBondContact O-N 3.12Å; V96-F100 WeakPolarHBondContact O-CB 3.39Å; V96-F100 PolarHBondContact O-N 3Å |
| 97 | Q | 97.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 178.6 | -73.5 | 176.3 | 3.2 | 0 | 0 | 112.4 | A93 R94 F100 R101 | A93-Q97 WeakPolarHBondContact O-CB 3.42Å; A93-Q97 VanDerWaalsContact O-CG 3.26Å; A93-Q97 WeakPolarHBondContact O-CG 3.5Å; A93-Q97 PolarHBondContact O-N 3.3Å; R94-Q97 PolarHBondContact O-N 3.46Å; Q97-F100 PolarHBondContact O-N 2.94Å; Q97-R101 VanDerWaalsContact O-CG 3.29Å; Q97-R101 WeakPolarHBondContact O-CG 3.46Å; Q97-R101 PolarHBondContact O-N 3.1Å |
| 98 | T | 96.2 | Very high | 95.4 | Very high | 73 Ų | 73 | 105.7 Ų | 105.7 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | R94 L95 V96 R101 K102 | R94-T98 WeakPolarHBondContact O-CB 3.48Å; R94-T98 WeakPolarHBondContact O-CG2 3.44Å; R94-T98 PolarHBondContact O-N 3.36Å; R94-T98 PolarHBondContact O-OG1 3.42Å; L95-T98 WeakPolarHBondContact CA-OG1 3.34Å; L95-T98 PolarHBondContact O-N 3.11Å; L95-T98 PolarHBondContact O-OG1 3.39Å; V96-T98 PolarHBondContact O-N 2.86Å; T98-R101 PolarHBondContact O-N 2.99Å; T98-K102 PolarHBondContact O-N 3.18Å |
| 99 | A | 95.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L95 V96 K102 Y103 | L95-A99 VanDerWaalsContact O-CB 3.28Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.84Å; V96-A99 PolarHBondContact O-N 3.12Å; A99-K102 PolarHBondContact O-N 3.4Å; A99-Y103 WeakPolarHBondContact O-CB 3.31Å; A99-Y103 PolarHBondContact O-N 3.41Å |
| 100 | F | 95.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 108.5 Ų | 108.5 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 178.5 | -178.4 | -103.8 | 0 | 0 | 0 | 112.6 | V96 Q97 K102 Y103 K104 | V96-F100 WeakPolarHBondContact O-CB 3.39Å; V96-F100 PolarHBondContact O-N 3Å; Q97-F100 PolarHBondContact O-N 2.94Å; F100-K102 VanDerWaalsContact C-N 3.29Å; F100-K102 PolarHBondContact O-N 3.34Å; F100-Y103 HydrophobicContact CD2-CD1 4.45Å; F100-Y103 PolarHBondContact O-N 3.26Å; F100-K104 HydrophobicContact CE1-CD 4.47Å; F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 3.49Å |
| 101 | R | 94.6 | Very high | 95.5 | Very high | 184 Ų | 184 | 107.2 Ų | 107.2 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 175.6 | -73.8 | 175.2 | -174.1 | -171 | 4.1 | 111.6 | Q97 T98 G105 | Q97-R101 VanDerWaalsContact O-CG 3.29Å; Q97-R101 WeakPolarHBondContact O-CG 3.46Å; Q97-R101 PolarHBondContact O-N 3.1Å; T98-R101 PolarHBondContact O-N 2.99Å; R101-G105 PolarHBondContact O-N 2.81Å |
| 102 | K | 93.8 | Very high | 95.5 | Very high | 131 Ų | 131 | 109.1 Ų | 109.1 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -47.9 | 175.3 | -170.8 | 177.9 | -173.6 | 179.2 | 0 | 111.1 | T98 A99 F100 K104 G105 R106 | T98-K102 PolarHBondContact O-N 3.18Å; A99-K102 PolarHBondContact O-N 3.4Å; F100-K102 VanDerWaalsContact C-N 3.29Å; F100-K102 PolarHBondContact O-N 3.34Å; K102-K104 PolarHBondContact O-N 3.24Å; K102-G105 PolarHBondContact O-N 3.49Å; K102-R106 VanDerWaalsContact CE-NH2 3.32Å; K102-R106 WeakPolarHBondContact O-CG 3.41Å; K102-R106 PolarHBondContact O-N 3.26Å; K102-R106 VanDerWaalsContact O-N 3.14Å |
| 103 | Y | 94.4 | Very high | 95.6 | Very high | 161 Ų | 161 | 113 Ų | 113 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.1 | -47.6 | 176.7 | 170.4 | -103.8 | 0 | 0 | 0 | 111.7 | A99 F100 G105 R106 P107 | A99-Y103 WeakPolarHBondContact O-CB 3.31Å; A99-Y103 PolarHBondContact O-N 3.41Å; F100-Y103 HydrophobicContact CD2-CD1 4.45Å; F100-Y103 PolarHBondContact O-N 3.26Å; Y103-G105 PolarHBondContact O-N 3.43Å; Y103-R106 PolarHBondContact O-N 3.47Å; Y103-R106 VanDerWaalsContact O-N 3.16Å; Y103-P107 WeakPolarHBondContact O-CD 3.24Å |
| 104 | K | 92.8 | Very high | 95.7 | Very high | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61 | -31.5 | 179.6 | -165.7 | 179.5 | 179.4 | -179.2 | 0 | 113.1 | F100 K102 | F100-K104 HydrophobicContact CE1-CD 4.47Å; F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 3.49Å; K102-K104 PolarHBondContact O-N 3.24Å |
| 105 | G | 92.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 111.1 Ų | 111.1 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -86.1 | -15.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R101 K102 Y103 R109 | R101-G105 PolarHBondContact O-N 2.81Å; K102-G105 PolarHBondContact O-N 3.49Å; Y103-G105 PolarHBondContact O-N 3.43Å; G105-R109 PolarHBondContact O-N 2.91Å |
| 106 | R | 94 | Very high | 95.8 | Very high | 117 Ų | 117 | 107.5 Ų | 107.5 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -49.6 | -177.2 | -82.4 | 179 | -174.3 | -83 | 12.1 | 113.6 | K102 Y103 L108 R109 E110 | K102-R106 VanDerWaalsContact CE-NH2 3.32Å; K102-R106 WeakPolarHBondContact O-CG 3.41Å; K102-R106 PolarHBondContact O-N 3.26Å; K102-R106 VanDerWaalsContact O-N 3.14Å; Y103-R106 PolarHBondContact O-N 3.47Å; Y103-R106 VanDerWaalsContact O-N 3.16Å; R106-L108 VanDerWaalsContact C-N 3.28Å; R106-L108 PolarHBondContact O-N 3.43Å; R106-R109 PolarHBondContact O-N 3.32Å; R106-R109 VanDerWaalsContact O-N 3.1Å; R106-E110 WeakPolarHBondContact O-CG 3.47Å; R106-E110 PolarHBondContact O-N 3Å |
| 107 | P | 94.2 | Very high | 95.8 | Very high | 74 Ų | 74 | 105.2 Ų | 105.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | -177.1 | -26.6 | 34.2 | 0 | 0 | 0 | 113.4 | Y103 Q111 | Y103-P107 WeakPolarHBondContact O-CD 3.24Å; P107-Q111 WeakPolarHBondContact O-CB 3.32Å; P107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | L | 94.6 | Very high | 95.9 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -41.8 | 178.8 | -178.8 | 62.6 | 0 | 0 | 0 | 112 | R106 Q111 Q112 | R106-L108 VanDerWaalsContact C-N 3.28Å; R106-L108 PolarHBondContact O-N 3.43Å; L108-Q111 PolarHBondContact O-N 2.93Å; L108-Q112 VanDerWaalsContact O-CG 3.29Å; L108-Q112 WeakPolarHBondContact O-CG 3.39Å; L108-Q112 PolarHBondContact O-N 3.33Å |
| 109 | R | 94.7 | Very high | 96 | Very high | 172 Ų | 172 | 106.1 Ų | 106.1 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 176.3 | -84 | -175.2 | 176.5 | 167 | -0.5 | 111.5 | G105 R106 Q111 Q112 E113 | G105-R109 PolarHBondContact O-N 2.91Å; R106-R109 PolarHBondContact O-N 3.32Å; R106-R109 VanDerWaalsContact O-N 3.1Å; R109-Q111 VanDerWaalsContact C-N 3.29Å; R109-Q111 PolarHBondContact O-N 2.89Å; R109-Q112 WeakPolarHBondContact O-CB 3.37Å; R109-Q112 PolarHBondContact O-N 3.03Å; R109-Q112 VanDerWaalsContact O-N 3.12Å; R109-E113 WeakPolarHBondContact O-CG 3.29Å; R109-E113 PolarHBondContact O-N 2.86Å |
| 110 | E | 96.4 | Very high | 96.1 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 178 | -71.4 | 165.7 | -166.1 | 0 | 0 | 110.7 | R106 Q112 E113 V114 | R106-E110 WeakPolarHBondContact O-CG 3.47Å; R106-E110 PolarHBondContact O-N 3Å; E110-Q112 PolarHBondContact O-N 2.89Å; E110-E113 PolarHBondContact O-N 3.24Å; E110-V114 VanDerWaalsContact O-CG2 3.31Å; E110-V114 WeakPolarHBondContact O-CG2 3.26Å; E110-V114 PolarHBondContact O-N 3.44Å |
| 111 | Q | 97.1 | Very high | 96.2 | Very high | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 174.8 | -172 | 63.9 | 19.1 | 0 | 0 | 112.7 | P107 L108 R109 A115 | P107-Q111 WeakPolarHBondContact O-CB 3.32Å; P107-Q111 PolarHBondContact O-N 3.44Å; L108-Q111 PolarHBondContact O-N 2.93Å; R109-Q111 VanDerWaalsContact C-N 3.29Å; R109-Q111 PolarHBondContact O-N 2.89Å; Q111-A115 WeakPolarHBondContact O-CB 3.34Å; Q111-A115 PolarHBondContact O-N 3.08Å |
| 112 | Q | 97.9 | Very high | 96.4 | Very high | 115 Ų | 115 | 103.6 Ų | 103.6 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.1 | -74.9 | 173.9 | -11.4 | 0 | 0 | 111.9 | L108 R109 E110 A115 A116 | L108-Q112 VanDerWaalsContact O-CG 3.29Å; L108-Q112 WeakPolarHBondContact O-CG 3.39Å; L108-Q112 PolarHBondContact O-N 3.33Å; R109-Q112 WeakPolarHBondContact O-CB 3.37Å; R109-Q112 PolarHBondContact O-N 3.03Å; R109-Q112 VanDerWaalsContact O-N 3.12Å; E110-Q112 PolarHBondContact O-N 2.89Å; Q112-A115 PolarHBondContact O-N 3.43Å; Q112-A116 VanDerWaalsContact O-CB 3.24Å; Q112-A116 WeakPolarHBondContact O-CB 3.44Å; Q112-A116 PolarHBondContact O-N 3.48Å |
| 113 | E | 97.6 | Very high | 96.6 | Very high | 131 Ų | 131 | 104.3 Ų | 104.3 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 177.1 | -73.9 | 173.9 | -173.9 | 0 | 0 | 111.3 | R109 E110 A116 A117 | R109-E113 WeakPolarHBondContact O-CG 3.29Å; R109-E113 PolarHBondContact O-N 2.86Å; E110-E113 PolarHBondContact O-N 3.24Å; E113-A116 PolarHBondContact O-N 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.2Å; E113-A117 PolarHBondContact O-N 3.23Å |
| 114 | V | 98 | Very high | 96.8 | Very high | 87 Ų | 87 | 104.6 Ų | 104.6 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | E110 A116 A117 V118 | E110-V114 VanDerWaalsContact O-CG2 3.31Å; E110-V114 WeakPolarHBondContact O-CG2 3.26Å; E110-V114 PolarHBondContact O-N 3.44Å; V114-A116 VanDerWaalsContact C-N 3.35Å; V114-A116 PolarHBondContact O-N 3.39Å; V114-A117 PolarHBondContact O-N 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.42Å; V114-V118 PolarHBondContact O-N 3.36Å |
| 115 | A | 97.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 104.6 Ų | 104.6 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q111 Q112 A117 V118 I119 | Q111-A115 WeakPolarHBondContact O-CB 3.34Å; Q111-A115 PolarHBondContact O-N 3.08Å; Q112-A115 PolarHBondContact O-N 3.43Å; A115-A117 PolarHBondContact O-N 3.2Å; A115-V118 PolarHBondContact O-N 3.47Å; A115-I119 WeakPolarHBondContact O-CG1 3.5Å; A115-I119 PolarHBondContact O-N 3.34Å |
| 116 | A | 98.4 | Very high | 97.4 | Very high | 41 Ų | 41 | 110.3 Ų | 110.3 | 34% | 0.339 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q112 E113 V114 V118 I119 Q120 | Q112-A116 VanDerWaalsContact O-CB 3.24Å; Q112-A116 WeakPolarHBondContact O-CB 3.44Å; Q112-A116 PolarHBondContact O-N 3.48Å; E113-A116 PolarHBondContact O-N 3.27Å; V114-A116 VanDerWaalsContact C-N 3.35Å; V114-A116 PolarHBondContact O-N 3.39Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 2.98Å; A116-I119 PolarHBondContact O-N 3.37Å; A116-Q120 WeakPolarHBondContact O-CB 3.44Å; A116-Q120 WeakPolarHBondContact O-CG 3.34Å; A116-Q120 PolarHBondContact O-N 3.45Å |
| 117 | A | 98.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 111.1 Ų | 111.1 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E113 V114 A115 R121 | E113-A117 WeakPolarHBondContact O-CB 3.2Å; E113-A117 PolarHBondContact O-N 3.23Å; V114-A117 PolarHBondContact O-N 3.29Å; A115-A117 PolarHBondContact O-N 3.2Å; A117-R121 VanDerWaalsContact O-CB 3.26Å; A117-R121 WeakPolarHBondContact O-CB 3.35Å; A117-R121 PolarHBondContact O-N 2.91Å |
| 118 | V | 98.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 114.4 Ų | 114.4 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | V114 A115 A116 Q120 R121 C122 | V114-V118 WeakPolarHBondContact O-CG2 3.42Å; V114-V118 PolarHBondContact O-N 3.36Å; A115-V118 PolarHBondContact O-N 3.47Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 2.98Å; V118-Q120 VanDerWaalsContact C-N 3.35Å; V118-Q120 PolarHBondContact O-N 3.03Å; V118-R121 PolarHBondContact O-N 3.4Å; V118-C122 PolarHBondContact O-N 3.38Å; V118-C122 PolarHBondContact O-SG 3.25Å |
| 119 | I | 98.4 | Very high | 98 | Very high | 120 Ų | 120 | 115.5 Ų | 115.5 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.8 | -47.5 | 178.8 | -67.4 | 167 | 0 | 0 | 0 | 110.4 | A115 A116 R121 C122 Y123 | A115-I119 WeakPolarHBondContact O-CG1 3.5Å; A115-I119 PolarHBondContact O-N 3.34Å; A116-I119 PolarHBondContact O-N 3.37Å; I119-R121 PolarHBondContact O-N 2.89Å; I119-C122 PolarHBondContact O-N 3.43Å; I119-Y123 WeakPolarHBondContact O-CB 3.45Å; I119-Y123 PolarHBondContact O-N 3.45Å |
| 120 | Q | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 108.7 Ų | 108.7 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 178.6 | -72.7 | 176.5 | 6 | 0 | 0 | 111.7 | A116 V118 Y123 R124 | A116-Q120 WeakPolarHBondContact O-CB 3.44Å; A116-Q120 WeakPolarHBondContact O-CG 3.34Å; A116-Q120 PolarHBondContact O-N 3.45Å; V118-Q120 VanDerWaalsContact C-N 3.35Å; V118-Q120 PolarHBondContact O-N 3.03Å; Q120-Y123 PolarHBondContact O-N 3.35Å; Q120-R124 WeakPolarHBondContact O-CB 3.28Å; Q120-R124 VanDerWaalsContact O-CG 3.28Å; Q120-R124 WeakPolarHBondContact O-CG 3.48Å; Q120-R124 PolarHBondContact O-N 3.37Å |
| 121 | R | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 108.9 Ų | 108.9 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 176.5 | -177.7 | -177.1 | -178.6 | -175.9 | 3.9 | 111.2 | Y22 A117 V118 I119 Y123 R124 K125 | Y22-R121 VanDerWaalsContact CE1-NH2 3.33Å; Y22-R121 PolarHBondContact OH-NH1 3.27Å; A117-R121 VanDerWaalsContact O-CB 3.26Å; A117-R121 WeakPolarHBondContact O-CB 3.35Å; A117-R121 PolarHBondContact O-N 2.91Å; V118-R121 PolarHBondContact O-N 3.4Å; I119-R121 PolarHBondContact O-N 2.89Å; R121-Y123 VanDerWaalsContact C-N 3.33Å; R121-Y123 PolarHBondContact O-N 2.95Å; R121-R124 PolarHBondContact O-N 3.4Å; R121-K125 PolarHBondContact O-N 3.35Å |
| 122 | C | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 110.1 Ų | 110.1 | 54% | 0.541 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 178.5 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | V118 I119 K125 Y126 | V118-C122 PolarHBondContact O-N 3.38Å; V118-C122 PolarHBondContact O-SG 3.25Å; I119-C122 PolarHBondContact O-N 3.43Å; C122-K125 PolarHBondContact O-N 2.89Å; C122-Y126 WeakPolarHBondContact O-CB 3.4Å; C122-Y126 PolarHBondContact O-N 3.27Å |
| 123 | Y | 98.6 | Very high | 98.4 | Very high | 146 Ų | 146 | 109.6 Ų | 109.6 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 177.7 | 177.3 | -110.2 | 0 | 0 | 0 | 112.6 | I119 Q120 R121 K125 Y126 K127 | I119-Y123 WeakPolarHBondContact O-CB 3.45Å; I119-Y123 PolarHBondContact O-N 3.45Å; Q120-Y123 PolarHBondContact O-N 3.35Å; R121-Y123 VanDerWaalsContact C-N 3.33Å; R121-Y123 PolarHBondContact O-N 2.95Å; Y123-K125 VanDerWaalsContact C-N 3.31Å; Y123-K125 PolarHBondContact O-N 3.34Å; Y123-Y126 PolarHBondContact O-N 3.44Å; Y123-K127 WeakPolarHBondContact O-CB 3.47Å; Y123-K127 PolarHBondContact O-N 3.38Å |
| 124 | R | 98.6 | Very high | 98.5 | Very high | 167 Ų | 167 | 110.5 Ų | 110.5 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.7 | -43.9 | 176.6 | -72 | 174.7 | -172.2 | -171.8 | 5 | 111.2 | Q120 R121 K127 Q128 | Q120-R124 WeakPolarHBondContact O-CB 3.28Å; Q120-R124 VanDerWaalsContact O-CG 3.28Å; Q120-R124 WeakPolarHBondContact O-CG 3.48Å; Q120-R124 PolarHBondContact O-N 3.37Å; R121-R124 PolarHBondContact O-N 3.4Å; R124-K127 PolarHBondContact O-N 3.12Å; R124-Q128 WeakPolarHBondContact O-CG 3.45Å; R124-Q128 PolarHBondContact O-N 3.19Å; R124-Q128 VanDerWaalsContact O-N 3.13Å |
| 125 | K | 98.4 | Very high | 98.5 | Very high | 156 Ų | 156 | 112.2 Ų | 112.2 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 175.3 | -176.1 | -179.8 | 179.5 | -178.5 | 0 | 111.8 | R121 C122 Y123 K127 Q128 Y129 | R121-K125 PolarHBondContact O-N 3.35Å; C122-K125 PolarHBondContact O-N 2.89Å; Y123-K125 VanDerWaalsContact C-N 3.31Å; Y123-K125 PolarHBondContact O-N 3.34Å; K125-K127 PolarHBondContact O-N 3.45Å; K125-Q128 PolarHBondContact O-N 3.21Å; K125-Y129 WeakPolarHBondContact O-CB 3.5Å; K125-Y129 PolarHBondContact O-N 2.94Å |
| 126 | Y | 98.6 | Very high | 98.6 | Very high | 155 Ų | 155 | 112.3 Ų | 112.3 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -45 | 178 | 171.6 | -103.8 | 0 | 0 | 0 | 112.1 | C122 Y123 Q128 Y129 A130 | C122-Y126 WeakPolarHBondContact O-CB 3.4Å; C122-Y126 PolarHBondContact O-N 3.27Å; Y123-Y126 PolarHBondContact O-N 3.44Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.13Å; Y126-Y129 PolarHBondContact O-N 2.85Å; Y126-A130 WeakPolarHBondContact O-CB 3.49Å; Y126-A130 PolarHBondContact O-N 3.37Å |
| 127 | K | 98.6 | Very high | 98.6 | Very high | 135 Ų | 135 | 115.9 Ų | 115.9 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | 178.7 | -173.5 | 179.9 | 176.6 | -176.9 | 0 | 111.8 | Y123 R124 K125 L131 | Y123-K127 WeakPolarHBondContact O-CB 3.47Å; Y123-K127 PolarHBondContact O-N 3.38Å; R124-K127 PolarHBondContact O-N 3.12Å; K125-K127 PolarHBondContact O-N 3.45Å; K127-L131 PolarHBondContact O-N 2.91Å; K127-L131 VanDerWaalsContact O-N 3.16Å |
| 128 | Q | 98.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 115.7 Ų | 115.7 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 175.4 | -72.7 | 175.9 | -13.1 | 0 | 0 | 111.8 | R124 K125 Y126 A130 L131 Y132 | R124-Q128 WeakPolarHBondContact O-CG 3.45Å; R124-Q128 PolarHBondContact O-N 3.19Å; R124-Q128 VanDerWaalsContact O-N 3.13Å; K125-Q128 PolarHBondContact O-N 3.21Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.13Å; Q128-A130 PolarHBondContact O-N 3.42Å; Q128-L131 PolarHBondContact O-N 3.16Å; Q128-Y132 PolarHBondContact O-N 3.12Å |
| 129 | Y | 98.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 113.7 Ų | 113.7 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 178.1 | 176.2 | -103.7 | 0 | 0 | 0 | 112.5 | K125 Y126 L131 Y132 K133 | K125-Y129 WeakPolarHBondContact O-CB 3.5Å; K125-Y129 PolarHBondContact O-N 2.94Å; Y126-Y129 PolarHBondContact O-N 2.85Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 3.4Å; Y129-Y132 PolarHBondContact O-N 3.28Å; Y129-K133 HydrophobicContact CE1-CD 4.33Å; Y129-K133 WeakPolarHBondContact O-CB 3.33Å; Y129-K133 PolarHBondContact O-N 2.95Å |
| 130 | A | 98.6 | Very high | 98.6 | Very high | 29 Ų | 29 | 112.8 Ų | 112.8 | 24% | 0.24 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y126 Q128 K134 | Y126-A130 WeakPolarHBondContact O-CB 3.49Å; Y126-A130 PolarHBondContact O-N 3.37Å; Q128-A130 PolarHBondContact O-N 3.42Å; A130-K134 WeakPolarHBondContact O-CG 3.42Å; A130-K134 PolarHBondContact O-N 3.2Å; A130-K134 VanDerWaalsContact O-N 3.12Å |
| 131 | L | 98.6 | Very high | 98.6 | Very high | 105 Ų | 105 | 113 Ų | 113 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 175 | 178.9 | 60.9 | 0 | 0 | 0 | 111.3 | K127 Q128 Y129 K133 K134 M135 | K127-L131 PolarHBondContact O-N 2.91Å; K127-L131 VanDerWaalsContact O-N 3.16Å; Q128-L131 PolarHBondContact O-N 3.16Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 3.4Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.93Å; L131-K134 PolarHBondContact O-N 3.3Å; L131-M135 HydrophobicContact CD1-CG 4.27Å; L131-M135 HydrophobicContact CD1-SD 4.28Å; L131-M135 HydrophobicContact CG-SD 4.11Å; L131-M135 WeakPolarHBondContact O-CG 3.42Å; L131-M135 PolarHBondContact O-N 3.48Å |
| 132 | Y | 98.7 | Very high | 98.7 | Very high | 152 Ų | 152 | 112.4 Ų | 112.4 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56 | -44.4 | 177.3 | 171 | -101.5 | 0 | 0 | 0 | 111.9 | Q128 Y129 K134 M135 T136 | Q128-Y132 PolarHBondContact O-N 3.12Å; Y129-Y132 PolarHBondContact O-N 3.28Å; Y132-K134 PolarHBondContact O-N 3.46Å; Y132-M135 PolarHBondContact O-N 3.39Å; Y132-T136 WeakPolarHBondContact O-CB 3.39Å; Y132-T136 PolarHBondContact O-N 3.49Å; Y132-T136 PolarHBondContact O-OG1 3.28Å |
| 133 | K | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 113.2 Ų | 113.2 | 45% | 0.452 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 178 | -171.1 | 174.5 | -177.3 | 176 | 0 | 111.7 | Y129 L131 T136 Q137 | Y129-K133 HydrophobicContact CE1-CD 4.33Å; Y129-K133 WeakPolarHBondContact O-CB 3.33Å; Y129-K133 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.93Å; K133-T136 PolarHBondContact O-N 3.39Å; K133-Q137 WeakPolarHBondContact O-CB 3.48Å; K133-Q137 WeakPolarHBondContact O-CG 3.48Å; K133-Q137 PolarHBondContact O-N 3.01Å |
| 134 | K | 98.7 | Very high | 98.7 | Very high | 150 Ų | 150 | 109.4 Ų | 109.4 | 65% | 0.652 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 176.3 | -74.5 | -178.8 | 178.8 | -176.1 | 0 | 111.9 | A130 L131 Y132 T136 Q137 A138 | A130-K134 WeakPolarHBondContact O-CG 3.42Å; A130-K134 PolarHBondContact O-N 3.2Å; A130-K134 VanDerWaalsContact O-N 3.12Å; L131-K134 PolarHBondContact O-N 3.3Å; Y132-K134 PolarHBondContact O-N 3.46Å; K134-T136 PolarHBondContact O-N 2.86Å; K134-Q137 PolarHBondContact O-N 2.98Å; K134-A138 WeakPolarHBondContact O-CB 3.28Å; K134-A138 PolarHBondContact O-N 2.93Å |
| 135 | M | 98.8 | Very high | 98.7 | Very high | 124 Ų | 124 | 108.4 Ų | 108.4 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 177.3 | -70.9 | 179.8 | 67.7 | 0 | 0 | 111.8 | L131 Y132 A138 A139 | L131-M135 HydrophobicContact CD1-CG 4.27Å; L131-M135 HydrophobicContact CD1-SD 4.28Å; L131-M135 HydrophobicContact CG-SD 4.11Å; L131-M135 WeakPolarHBondContact O-CG 3.42Å; L131-M135 PolarHBondContact O-N 3.48Å; Y132-M135 PolarHBondContact O-N 3.39Å; M135-A138 PolarHBondContact O-N 2.78Å; M135-A139 WeakPolarHBondContact O-CB 3.34Å; M135-A139 PolarHBondContact O-N 2.86Å |
| 136 | T | 98.8 | Very high | 98.7 | Very high | 45 Ų | 45 | 107.2 Ų | 107.2 | 28% | 0.276 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.5 | -58 | 0 | 0 | 0 | 0 | 111.2 | Y132 K133 K134 A138 A139 I140 | Y132-T136 WeakPolarHBondContact O-CB 3.39Å; Y132-T136 PolarHBondContact O-N 3.49Å; Y132-T136 PolarHBondContact O-OG1 3.28Å; K133-T136 PolarHBondContact O-N 3.39Å; K134-T136 PolarHBondContact O-N 2.86Å; T136-A138 PolarHBondContact O-N 3.3Å; T136-A139 PolarHBondContact O-N 3.35Å; T136-I140 HydrophobicContact CG2-CD1 3.92Å; T136-I140 VanDerWaalsContact O-CG1 3.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.44Å; T136-I140 PolarHBondContact O-N 3.49Å |
| 137 | Q | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 107.3 Ų | 107.3 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.6 | -75 | 178.8 | -27.9 | 0 | 0 | 112.1 | K133 K134 I140 L141 | K133-Q137 WeakPolarHBondContact O-CB 3.48Å; K133-Q137 WeakPolarHBondContact O-CG 3.48Å; K133-Q137 PolarHBondContact O-N 3.01Å; K134-Q137 PolarHBondContact O-N 2.98Å; Q137-I140 PolarHBondContact O-N 3.44Å; Q137-L141 WeakPolarHBondContact O-CB 3.43Å; Q137-L141 PolarHBondContact O-N 3.01Å |
| 138 | A | 98.6 | Very high | 98.7 | Very high | 49 Ų | 49 | 104.5 Ų | 104.5 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K134 M135 T136 L141 I142 | K134-A138 WeakPolarHBondContact O-CB 3.28Å; K134-A138 PolarHBondContact O-N 2.93Å; M135-A138 PolarHBondContact O-N 2.78Å; T136-A138 PolarHBondContact O-N 3.3Å; A138-L141 PolarHBondContact O-N 2.95Å; A138-I142 VanDerWaalsContact O-CG1 3.29Å; A138-I142 WeakPolarHBondContact O-CG1 3.31Å; A138-I142 PolarHBondContact O-N 3.38Å |
| 139 | A | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 104.2 Ų | 104.2 | 35% | 0.347 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M135 T136 L141 I142 Q143 | M135-A139 WeakPolarHBondContact O-CB 3.34Å; M135-A139 PolarHBondContact O-N 2.86Å; T136-A139 PolarHBondContact O-N 3.35Å; A139-L141 VanDerWaalsContact C-N 3.32Å; A139-L141 PolarHBondContact O-N 3.18Å; A139-I142 PolarHBondContact O-N 3.4Å; A139-Q143 WeakPolarHBondContact O-CB 3.47Å; A139-Q143 VanDerWaalsContact O-CG 3.22Å; A139-Q143 WeakPolarHBondContact O-CG 3.19Å; A139-Q143 PolarHBondContact O-N 3.46Å |
| 140 | I | 98.8 | Very high | 98.7 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 176.9 | -69.9 | 167.2 | 0 | 0 | 0 | 110.8 | T136 Q137 Q143 S144 | T136-I140 HydrophobicContact CG2-CD1 3.92Å; T136-I140 VanDerWaalsContact O-CG1 3.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.44Å; T136-I140 PolarHBondContact O-N 3.49Å; Q137-I140 PolarHBondContact O-N 3.44Å; I140-Q143 PolarHBondContact O-N 3.44Å; I140-S144 WeakPolarHBondContact O-CB 3.22Å; I140-S144 PolarHBondContact O-N 3.35Å |
| 141 | L | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | -179.7 | -174.6 | 143.7 | 0 | 0 | 0 | 111.6 | Q137 A138 A139 S144 K145 | Q137-L141 WeakPolarHBondContact O-CB 3.43Å; Q137-L141 PolarHBondContact O-N 3.01Å; A138-L141 PolarHBondContact O-N 2.95Å; A139-L141 VanDerWaalsContact C-N 3.32Å; A139-L141 PolarHBondContact O-N 3.18Å; L141-S144 PolarHBondContact O-N 3.41Å; L141-K145 HydrophobicContact CD2-CG 4.35Å; L141-K145 WeakPolarHBondContact O-CB 3.37Å; L141-K145 WeakPolarHBondContact O-CG 3.36Å; L141-K145 PolarHBondContact O-N 3.41Å |
| 142 | I | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -49.7 | 177.4 | -68.7 | 166.7 | 0 | 0 | 0 | 110.2 | A138 A139 S144 K145 F146 | A138-I142 VanDerWaalsContact O-CG1 3.29Å; A138-I142 WeakPolarHBondContact O-CG1 3.31Å; A138-I142 PolarHBondContact O-N 3.38Å; A139-I142 PolarHBondContact O-N 3.4Å; I142-S144 PolarHBondContact O-N 3.44Å; I142-K145 PolarHBondContact O-N 2.86Å; I142-F146 WeakPolarHBondContact O-CB 3.38Å; I142-F146 PolarHBondContact O-N 2.95Å |
| 143 | Q | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | -180 | -72.6 | 175.5 | -12.4 | 0 | 0 | 111.9 | A139 I140 F146 R147 | A139-Q143 WeakPolarHBondContact O-CB 3.47Å; A139-Q143 VanDerWaalsContact O-CG 3.22Å; A139-Q143 WeakPolarHBondContact O-CG 3.19Å; A139-Q143 PolarHBondContact O-N 3.46Å; I140-Q143 PolarHBondContact O-N 3.44Å; Q143-F146 PolarHBondContact O-N 3.46Å; Q143-R147 VanDerWaalsContact O-CG 3.31Å; Q143-R147 WeakPolarHBondContact O-CG 3.46Å; Q143-R147 PolarHBondContact O-N 2.91Å |
| 144 | S | 98.7 | Very high | 98.7 | Very high | 66 Ų | 66 | 105.8 Ų | 105.8 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | I140 L141 I142 F146 R147 S148 | I140-S144 WeakPolarHBondContact O-CB 3.22Å; I140-S144 PolarHBondContact O-N 3.35Å; L141-S144 PolarHBondContact O-N 3.41Å; I142-S144 PolarHBondContact O-N 3.44Å; S144-F146 VanDerWaalsContact C-N 3.34Å; S144-F146 PolarHBondContact O-N 2.92Å; S144-R147 PolarHBondContact O-N 2.95Å; S144-S148 WeakPolarHBondContact O-CB 3.32Å; S144-S148 PolarHBondContact O-N 3.49Å |
| 145 | K | 98.7 | Very high | 98.7 | Very high | 146 Ų | 146 | 104.3 Ų | 104.3 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 177.2 | -74.4 | -63.2 | -173.3 | -176.8 | 0 | 112.3 | L141 I142 S148 Y149 | L141-K145 HydrophobicContact CD2-CG 4.35Å; L141-K145 WeakPolarHBondContact O-CB 3.37Å; L141-K145 WeakPolarHBondContact O-CG 3.36Å; L141-K145 PolarHBondContact O-N 3.41Å; I142-K145 PolarHBondContact O-N 2.86Å; K145-S148 PolarHBondContact O-N 2.88Å; K145-Y149 VanDerWaalsContact O-CB 3.31Å; K145-Y149 WeakPolarHBondContact O-CB 3.32Å; K145-Y149 PolarHBondContact O-N 3.37Å |
| 146 | F | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 100.4 Ų | 100.4 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -48.7 | 177.3 | 179.7 | -98.8 | 0 | 0 | 0 | 112.2 | I142 Q143 S144 S148 Y149 Y150 | I142-F146 WeakPolarHBondContact O-CB 3.38Å; I142-F146 PolarHBondContact O-N 2.95Å; Q143-F146 PolarHBondContact O-N 3.46Å; S144-F146 VanDerWaalsContact C-N 3.34Å; S144-F146 PolarHBondContact O-N 2.92Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-S148 PolarHBondContact O-N 3.23Å; F146-Y149 PolarHBondContact O-N 3.47Å; F146-Y150 WeakPolarHBondContact O-CB 3.29Å; F146-Y150 PolarHBondContact O-N 3.15Å |
| 147 | R | 98.7 | Very high | 98.7 | Very high | 157 Ų | 157 | 103.7 Ų | 103.7 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.8 | -46.6 | 176.7 | -71.3 | 175.7 | -168.4 | 137.6 | 4 | 111 | Q143 S144 Y150 E151 | Q143-R147 VanDerWaalsContact O-CG 3.31Å; Q143-R147 WeakPolarHBondContact O-CG 3.46Å; Q143-R147 PolarHBondContact O-N 2.91Å; S144-R147 PolarHBondContact O-N 2.95Å; R147-Y150 PolarHBondContact O-N 3.43Å; R147-E151 PolarHBondContact O-N 2.92Å; R147-E151 VanDerWaalsContact O-N 3.15Å |
| 148 | S | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 102 Ų | 102 | 54% | 0.538 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.3 | 177.3 | 0 | 0 | 0 | 0 | 112.7 | S144 K145 F146 Y150 E151 Q152 | S144-S148 WeakPolarHBondContact O-CB 3.32Å; S144-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-N 2.88Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-S148 PolarHBondContact O-N 3.23Å; S148-Y150 VanDerWaalsContact C-N 3.33Å; S148-Y150 PolarHBondContact O-N 3.4Å; S148-E151 PolarHBondContact O-N 2.88Å; S148-Q152 VanDerWaalsContact O-CB 3.32Å; S148-Q152 WeakPolarHBondContact O-CB 3.44Å; S148-Q152 PolarHBondContact O-N 2.88Å |
| 149 | Y | 98.7 | Very high | 98.6 | Very high | 136 Ų | 136 | 105.6 Ų | 105.6 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.5 | 167.7 | -95.8 | 0 | 0 | 0 | 111.9 | K145 F146 Q152 K153 | K145-Y149 VanDerWaalsContact O-CB 3.31Å; K145-Y149 WeakPolarHBondContact O-CB 3.32Å; K145-Y149 PolarHBondContact O-N 3.37Å; F146-Y149 PolarHBondContact O-N 3.47Å; Y149-Q152 PolarHBondContact O-N 3.39Å; Y149-K153 HydrophobicContact CE1-CD 4.14Å; Y149-K153 WeakPolarHBondContact O-CB 3.43Å; Y149-K153 PolarHBondContact O-N 2.95Å |
| 150 | Y | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 112 Ų | 112 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | -178.6 | -176.3 | -99.2 | 0 | 0 | 0 | 111.6 | F146 R147 S148 Q152 K153 R154 | F146-Y150 WeakPolarHBondContact O-CB 3.29Å; F146-Y150 PolarHBondContact O-N 3.15Å; R147-Y150 PolarHBondContact O-N 3.43Å; S148-Y150 VanDerWaalsContact C-N 3.33Å; S148-Y150 PolarHBondContact O-N 3.4Å; Y150-Q152 PolarHBondContact O-N 3.02Å; Y150-K153 PolarHBondContact O-N 3.37Å; Y150-R154 HydrophobicContact CD1-CG 4.49Å; Y150-R154 VanDerWaalsContact CE1-CD 3.43Å; Y150-R154 HydrophobicContact CE1-CG 4.16Å; Y150-R154 WeakPolarHBondContact O-CG 3.31Å; Y150-R154 PolarHBondContact O-N 2.81Å |
| 151 | E | 98.5 | Very high | 98.6 | Very high | 110 Ų | 110 | 109.4 Ų | 109.4 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.8 | -70.5 | -53.2 | 134.5 | 0 | 0 | 111.9 | R147 S148 K153 R154 F155 | R147-E151 PolarHBondContact O-N 2.92Å; R147-E151 VanDerWaalsContact O-N 3.15Å; S148-E151 PolarHBondContact O-N 2.88Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 3.26Å; E151-R154 PolarHBondContact O-N 3.47Å; E151-F155 WeakPolarHBondContact O-CB 3.35Å; E151-F155 PolarHBondContact O-N 3.4Å |
| 152 | Q | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 106.1 Ų | 106.1 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 175.8 | -177 | 66.3 | 0.9 | 0 | 0 | 111.2 | S148 Y149 Y150 F155 Q156 | S148-Q152 VanDerWaalsContact O-CB 3.32Å; S148-Q152 WeakPolarHBondContact O-CB 3.44Å; S148-Q152 PolarHBondContact O-N 2.88Å; Y149-Q152 PolarHBondContact O-N 3.39Å; Y150-Q152 PolarHBondContact O-N 3.02Å; Q152-F155 PolarHBondContact O-N 3.47Å; Q152-Q156 HydrophobicContact CG-CG 4.38Å; Q152-Q156 VanDerWaalsContact NE2-NE2 3.11Å; Q152-Q156 WeakPolarHBondContact O-CB 3.31Å; Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; Q152-Q156 PolarHBondContact O-N 3.29Å |
| 153 | K | 98.4 | Very high | 98.6 | Very high | 101 Ų | 101 | 103.7 Ų | 103.7 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.9 | -173.9 | 178.6 | -178 | 176.7 | 0 | 111.4 | Y149 Y150 E151 Q156 Q157 | Y149-K153 HydrophobicContact CE1-CD 4.14Å; Y149-K153 WeakPolarHBondContact O-CB 3.43Å; Y149-K153 PolarHBondContact O-N 2.95Å; Y150-K153 PolarHBondContact O-N 3.37Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 3.26Å; K153-Q156 PolarHBondContact O-N 3.04Å; K153-Q157 WeakPolarHBondContact O-CG 3.3Å; K153-Q157 PolarHBondContact O-N 2.89Å |
| 154 | R | 98.4 | Very high | 98.6 | Very high | 139 Ų | 139 | 104.9 Ų | 104.9 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.3 | -70.9 | -170.2 | 72.5 | 178.3 | 5.6 | 111.9 | Y150 E151 Q156 Q157 S158 | Y150-R154 HydrophobicContact CD1-CG 4.49Å; Y150-R154 VanDerWaalsContact CE1-CD 3.43Å; Y150-R154 HydrophobicContact CE1-CG 4.16Å; Y150-R154 WeakPolarHBondContact O-CG 3.31Å; Y150-R154 PolarHBondContact O-N 2.81Å; E151-R154 PolarHBondContact O-N 3.47Å; R154-Q156 VanDerWaalsContact C-N 3.34Å; R154-Q156 PolarHBondContact O-N 3.45Å; R154-Q157 PolarHBondContact O-N 3.29Å; R154-S158 PolarHBondContact O-N 3.45Å |
| 155 | F | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 107.4 Ų | 107.4 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.9 | 177.2 | -103.3 | 0 | 0 | 0 | 111.7 | E151 Q152 Q157 S158 R159 | E151-F155 WeakPolarHBondContact O-CB 3.35Å; E151-F155 PolarHBondContact O-N 3.4Å; Q152-F155 PolarHBondContact O-N 3.47Å; F155-Q157 VanDerWaalsContact C-N 3.34Å; F155-Q157 PolarHBondContact O-N 3.4Å; F155-S158 PolarHBondContact O-N 3.43Å; F155-R159 VanDerWaalsContact O-CB 3.31Å; F155-R159 WeakPolarHBondContact O-CB 3.35Å; F155-R159 PolarHBondContact O-N 3.24Å |
| 156 | Q | 98.7 | Very high | 98.5 | Very high | 43 Ų | 43 | 105.5 Ų | 105.5 | 20% | 0.201 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 178.5 | -71 | -67.8 | -11.8 | 0 | 0 | 112.5 | Q152 K153 R154 R159 R160 | Q152-Q156 HydrophobicContact CG-CG 4.38Å; Q152-Q156 VanDerWaalsContact NE2-NE2 3.11Å; Q152-Q156 WeakPolarHBondContact O-CB 3.31Å; Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; Q152-Q156 PolarHBondContact O-N 3.29Å; K153-Q156 PolarHBondContact O-N 3.04Å; R154-Q156 VanDerWaalsContact C-N 3.34Å; R154-Q156 PolarHBondContact O-N 3.45Å; Q156-R159 VanDerWaalsContact NE2-NH2 3.17Å; Q156-R159 PolarHBondContact O-N 2.87Å; Q156-R159 VanDerWaalsContact OE1-CZ 3.23Å; Q156-R159 VanDerWaalsContact OE1-NE 3.17Å; Q156-R160 WeakPolarHBondContact O-CB 3.13Å; Q156-R160 VanDerWaalsContact O-CG 3.24Å; Q156-R160 WeakPolarHBondContact O-CG 3.38Å; Q156-R160 PolarHBondContact O-N 3.39Å |
| 157 | Q | 98.7 | Very high | 98.5 | Very high | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 174.3 | -73.5 | 172.8 | -9.3 | 0 | 0 | 111.3 | K153 R154 F155 R159 R160 A161 | K153-Q157 WeakPolarHBondContact O-CG 3.3Å; K153-Q157 PolarHBondContact O-N 2.89Å; R154-Q157 PolarHBondContact O-N 3.29Å; F155-Q157 VanDerWaalsContact C-N 3.34Å; F155-Q157 PolarHBondContact O-N 3.4Å; Q157-R159 PolarHBondContact O-N 2.92Å; Q157-R160 PolarHBondContact O-N 3.03Å; Q157-A161 PolarHBondContact O-N 2.91Å |
| 158 | S | 98.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.4 | -46.2 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | R154 F155 R160 A161 A162 | R154-S158 PolarHBondContact O-N 3.45Å; F155-S158 PolarHBondContact O-N 3.43Å; S158-R160 PolarHBondContact O-N 3.01Å; S158-A161 PolarHBondContact O-N 3.49Å; S158-A162 WeakPolarHBondContact O-CB 3.43Å; S158-A162 PolarHBondContact O-N 3.47Å |
| 159 | R | 98.5 | Very high | 98.2 | Very high | 126 Ų | 126 | 106.3 Ų | 106.3 | 48% | 0.475 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.9 | -173.4 | 172.1 | 74.3 | 160.5 | 8.8 | 112.1 | F155 Q156 Q157 A162 V163 | F155-R159 VanDerWaalsContact O-CB 3.31Å; F155-R159 WeakPolarHBondContact O-CB 3.35Å; F155-R159 PolarHBondContact O-N 3.24Å; Q156-R159 VanDerWaalsContact NE2-NH2 3.17Å; Q156-R159 PolarHBondContact O-N 2.87Å; Q156-R159 VanDerWaalsContact OE1-CZ 3.23Å; Q156-R159 VanDerWaalsContact OE1-NE 3.17Å; Q157-R159 PolarHBondContact O-N 2.92Å; R159-A162 PolarHBondContact O-N 2.89Å; R159-V163 VanDerWaalsContact O-CG2 3.3Å; R159-V163 WeakPolarHBondContact O-CG2 3.24Å; R159-V163 PolarHBondContact O-N 3.4Å |
| 160 | R | 98.6 | Very high | 98.1 | Very high | 175 Ų | 175 | 108.1 Ų | 108.1 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -46.3 | 176.6 | -75.6 | 173.4 | -178.2 | -171.5 | 0.4 | 111.2 | Q156 Q157 S158 V163 L164 | Q156-R160 WeakPolarHBondContact O-CB 3.13Å; Q156-R160 VanDerWaalsContact O-CG 3.24Å; Q156-R160 WeakPolarHBondContact O-CG 3.38Å; Q156-R160 PolarHBondContact O-N 3.39Å; Q157-R160 PolarHBondContact O-N 3.03Å; S158-R160 PolarHBondContact O-N 3.01Å; R160-V163 PolarHBondContact O-N 2.86Å; R160-L164 WeakPolarHBondContact O-CG 3.42Å; R160-L164 PolarHBondContact O-N 3.2Å |
| 161 | A | 98.4 | Very high | 97.8 | Very high | 48 Ų | 48 | 105.9 Ų | 105.9 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q157 S158 V163 L164 I165 | Q157-A161 PolarHBondContact O-N 2.91Å; S158-A161 PolarHBondContact O-N 3.49Å; A161-V163 PolarHBondContact O-N 2.98Å; A161-L164 PolarHBondContact O-N 3.39Å; A161-I165 WeakPolarHBondContact O-CG1 3.25Å; A161-I165 PolarHBondContact O-N 3.35Å |
| 162 | A | 98.6 | Very high | 97.5 | Very high | 40 Ų | 40 | 108.1 Ų | 108.1 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S158 R159 L164 I165 Q166 | S158-A162 WeakPolarHBondContact O-CB 3.43Å; S158-A162 PolarHBondContact O-N 3.47Å; R159-A162 PolarHBondContact O-N 2.89Å; A162-L164 PolarHBondContact O-N 3.41Å; A162-I165 PolarHBondContact O-N 3.39Å; A162-Q166 WeakPolarHBondContact O-CB 3.41Å; A162-Q166 VanDerWaalsContact O-CG 3.23Å; A162-Q166 WeakPolarHBondContact O-CG 3.41Å; A162-Q166 PolarHBondContact O-N 3.42Å |
| 163 | V | 98.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.1 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | R159 R160 A161 Q166 N167 | R159-V163 VanDerWaalsContact O-CG2 3.3Å; R159-V163 WeakPolarHBondContact O-CG2 3.24Å; R159-V163 PolarHBondContact O-N 3.4Å; R160-V163 PolarHBondContact O-N 2.86Å; A161-V163 PolarHBondContact O-N 2.98Å; V163-Q166 PolarHBondContact O-N 2.87Å; V163-N167 VanDerWaalsContact O-CB 3.31Å; V163-N167 WeakPolarHBondContact O-CB 3.23Å; V163-N167 PolarHBondContact O-N 3.32Å; V163-N167 PolarHBondContact O-ND2 3.43Å |
| 164 | L | 98.3 | Very high | 96.8 | Very high | 121 Ų | 121 | 109.6 Ų | 109.6 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 176.7 | -73.7 | 173 | 0 | 0 | 0 | 111.9 | R160 A161 A162 Q166 N167 F168 | R160-L164 WeakPolarHBondContact O-CG 3.42Å; R160-L164 PolarHBondContact O-N 3.2Å; A161-L164 PolarHBondContact O-N 3.39Å; A162-L164 PolarHBondContact O-N 3.41Å; L164-Q166 PolarHBondContact O-N 3.05Å; L164-N167 PolarHBondContact O-N 3.24Å; L164-F168 WeakPolarHBondContact O-CB 3.47Å; L164-F168 PolarHBondContact O-N 3.03Å |
| 165 | I | 98.1 | Very high | 96 | Very high | 120 Ų | 120 | 105.2 Ų | 105.2 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 177.4 | -66.9 | 166.3 | 0 | 0 | 0 | 110.2 | A161 A162 N167 F168 Y169 | A161-I165 WeakPolarHBondContact O-CG1 3.25Å; A161-I165 PolarHBondContact O-N 3.35Å; A162-I165 PolarHBondContact O-N 3.39Å; I165-N167 PolarHBondContact O-N 3.43Å; I165-F168 PolarHBondContact O-N 3.3Å; I165-Y169 WeakPolarHBondContact O-CB 3.35Å; I165-Y169 PolarHBondContact O-N 3.5Å |
| 166 | Q | 98.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.8 | -73.3 | 175.5 | -1.1 | 0 | 0 | 111.9 | A162 V163 L164 Y169 R170 | A162-Q166 WeakPolarHBondContact O-CB 3.41Å; A162-Q166 VanDerWaalsContact O-CG 3.23Å; A162-Q166 WeakPolarHBondContact O-CG 3.41Å; A162-Q166 PolarHBondContact O-N 3.42Å; V163-Q166 PolarHBondContact O-N 2.87Å; L164-Q166 PolarHBondContact O-N 3.05Å; Q166-Y169 PolarHBondContact O-N 2.86Å; Q166-R170 WeakPolarHBondContact O-CB 3.34Å; Q166-R170 VanDerWaalsContact O-CG 3.25Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.46Å |
| 167 | N | 97.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 107.7 Ų | 107.7 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.7 | -75.6 | -15.2 | 0 | 0 | 0 | 111.5 | V163 L164 I165 Y169 R170 S171 | V163-N167 VanDerWaalsContact O-CB 3.31Å; V163-N167 WeakPolarHBondContact O-CB 3.23Å; V163-N167 PolarHBondContact O-N 3.32Å; V163-N167 PolarHBondContact O-ND2 3.43Å; L164-N167 PolarHBondContact O-N 3.24Å; I165-N167 PolarHBondContact O-N 3.43Å; N167-Y169 PolarHBondContact O-N 2.89Å; N167-R170 PolarHBondContact O-N 3.45Å; N167-S171 WeakPolarHBondContact O-CB 3.34Å; N167-S171 PolarHBondContact O-N 3.33Å |
| 168 | F | 96.3 | Very high | 92.8 | Very high | 157 Ų | 157 | 110.7 Ų | 110.7 | 69% | 0.689 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | 176.2 | -173.4 | -99.8 | 0 | 0 | 0 | 111.2 | L164 I165 R170 S171 Y172 | L164-F168 WeakPolarHBondContact O-CB 3.47Å; L164-F168 PolarHBondContact O-N 3.03Å; I165-F168 PolarHBondContact O-N 3.3Å; F168-R170 PolarHBondContact O-N 3.33Å; F168-S171 PolarHBondContact O-N 3.49Å; F168-Y172 WeakPolarHBondContact O-CB 3.41Å; F168-Y172 PolarHBondContact O-N 3.37Å |
| 169 | Y | 95.8 | Very high | 91.8 | Very high | 134 Ų | 134 | 115 Ų | 115 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.2 | 177.9 | -100.1 | 0 | 0 | 0 | 112.5 | I165 Q166 N167 S171 Y172 K173 | I165-Y169 WeakPolarHBondContact O-CB 3.35Å; I165-Y169 PolarHBondContact O-N 3.5Å; Q166-Y169 PolarHBondContact O-N 2.86Å; N167-Y169 PolarHBondContact O-N 2.89Å; Y169-S171 VanDerWaalsContact C-N 3.33Å; Y169-S171 PolarHBondContact O-N 3.28Å; Y169-Y172 PolarHBondContact O-N 2.81Å; Y169-K173 HydrophobicContact CE1-CD 4.11Å; Y169-K173 WeakPolarHBondContact O-CB 3.46Å; Y169-K173 PolarHBondContact O-N 3.37Å |
| 170 | R | 95.6 | Very high | 90.9 | Very high | 173 Ų | 173 | 112.3 Ų | 112.3 | 65% | 0.653 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 176.4 | -73.8 | 173.2 | -173.6 | -99.4 | 2.3 | 111.3 | Q166 N167 F168 K174 | Q166-R170 WeakPolarHBondContact O-CB 3.34Å; Q166-R170 VanDerWaalsContact O-CG 3.25Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.46Å; N167-R170 PolarHBondContact O-N 3.45Å; F168-R170 PolarHBondContact O-N 3.33Å; R170-K174 WeakPolarHBondContact O-CB 3.37Å; R170-K174 PolarHBondContact O-N 2.94Å; R170-K174 VanDerWaalsContact O-N 3.07Å |
| 171 | S | 93.8 | Very high | 90.2 | Very high | 64 Ų | 64 | 107.1 Ų | 107.1 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 112 | N167 F168 Y169 K173 K174 C175 | N167-S171 WeakPolarHBondContact O-CB 3.34Å; N167-S171 PolarHBondContact O-N 3.33Å; F168-S171 PolarHBondContact O-N 3.49Å; Y169-S171 VanDerWaalsContact C-N 3.33Å; Y169-S171 PolarHBondContact O-N 3.28Å; S171-K173 PolarHBondContact O-N 2.83Å; S171-K174 PolarHBondContact O-N 3.33Å; S171-C175 WeakPolarHBondContact O-CB 3.42Å; S171-C175 PolarHBondContact O-N 2.89Å; S171-C175 PolarHBondContact O-SG 3.35Å; S171-C175 VanDerWaalsContact O-SG 3.37Å |
| 172 | Y | 91.2 | Very high | 89.6 | Confident | 157 Ų | 157 | 114.1 Ų | 114.1 | 62% | 0.616 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.8 | -48.3 | 176.6 | 175.4 | -95 | 0 | 0 | 0 | 111.3 | F168 Y169 K174 C175 G176 | F168-Y172 WeakPolarHBondContact O-CB 3.41Å; F168-Y172 PolarHBondContact O-N 3.37Å; Y169-Y172 PolarHBondContact O-N 2.81Å; Y172-K174 VanDerWaalsContact C-N 3.31Å; Y172-K174 PolarHBondContact O-N 3.2Å; Y172-C175 PolarHBondContact O-N 3.07Å; Y172-G176 WeakPolarHBondContact O-CA 3.31Å; Y172-G176 PolarHBondContact O-N 3.36Å |
| 173 | K | 92.5 | Very high | 89.1 | Confident | 96 Ų | 96 | 120.7 Ų | 120.7 | 42% | 0.417 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.4 | -37.5 | 177.9 | -171.2 | 174 | -177.4 | 173 | 0 | 112.3 | Y169 S171 R177 | Y169-K173 HydrophobicContact CE1-CD 4.11Å; Y169-K173 WeakPolarHBondContact O-CB 3.46Å; Y169-K173 PolarHBondContact O-N 3.37Å; S171-K173 PolarHBondContact O-N 2.83Å; K173-R177 VanDerWaalsContact CE-NH2 3.3Å; K173-R177 WeakPolarHBondContact O-CG 3.44Å |
| 174 | K | 89.9 | Confident | 88.7 | Confident | 135 Ų | 135 | 121.7 Ų | 121.7 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.8 | -46.7 | 177 | -171 | 177.6 | -178.6 | 179.5 | 0 | 111.9 | R170 S171 Y172 R178 | R170-K174 WeakPolarHBondContact O-CB 3.37Å; R170-K174 PolarHBondContact O-N 2.94Å; R170-K174 VanDerWaalsContact O-N 3.07Å; S171-K174 PolarHBondContact O-N 3.33Å; Y172-K174 VanDerWaalsContact C-N 3.31Å; Y172-K174 PolarHBondContact O-N 3.2Å; K174-R178 PolarHBondContact O-N 2.74Å |
| 175 | C | 81.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 118.1 Ų | 118.1 | 32% | 0.318 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 179.5 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | S171 Y172 R177 R178 R179 | S171-C175 WeakPolarHBondContact O-CB 3.42Å; S171-C175 PolarHBondContact O-N 2.89Å; S171-C175 PolarHBondContact O-SG 3.35Å; S171-C175 VanDerWaalsContact O-SG 3.37Å; Y172-C175 PolarHBondContact O-N 3.07Å; C175-R177 VanDerWaalsContact C-N 3.26Å; C175-R177 PolarHBondContact O-N 3.36Å; C175-R178 PolarHBondContact O-N 3Å; C175-R178 VanDerWaalsContact O-N 3.15Å; C175-R179 WeakPolarHBondContact O-CB 3.41Å; C175-R179 VanDerWaalsContact O-CG 3.3Å; C175-R179 WeakPolarHBondContact O-CG 2.9Å; C175-R179 PolarHBondContact O-N 3.15Å |
| 176 | G | 79.8 | Confident | 88.2 | Confident | 35 Ų | 35 | 115.8 Ų | 115.8 | 36% | 0.361 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -33.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y172 P180 | Y172-G176 WeakPolarHBondContact O-CA 3.31Å; Y172-G176 PolarHBondContact O-N 3.36Å; G176-P180 WeakPolarHBondContact O-CD 3.32Å; G176-P180 VanDerWaalsContact O-CG 3.31Å; G176-P180 WeakPolarHBondContact O-CG 3.37Å |
| 177 | R | 73.5 | Confident | 88.1 | Confident | 180 Ų | 180 | 115.1 Ų | 115.1 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.5 | -37.4 | 172.9 | -65.2 | -171.3 | -151.2 | -121.8 | 16.9 | 113.4 | K173 C175 | K173-R177 VanDerWaalsContact CE-NH2 3.3Å; K173-R177 WeakPolarHBondContact O-CG 3.44Å; C175-R177 VanDerWaalsContact C-N 3.26Å; C175-R177 PolarHBondContact O-N 3.36Å |
| 178 | R | 75.5 | Confident | 87.9 | Confident | 176 Ų | 176 | 115 Ų | 115 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -78 | -33.7 | -176 | -72.2 | -173 | 172.7 | -145.8 | -3.1 | 113.6 | K174 C175 R182 | K174-R178 PolarHBondContact O-N 2.74Å; C175-R178 PolarHBondContact O-N 3Å; C175-R178 VanDerWaalsContact O-N 3.15Å; R178-R182 WeakPolarHBondContact O-CB 3.39Å; R178-R182 PolarHBondContact O-N 2.89Å |
| 179 | R | 77.3 | Confident | 87.9 | Confident | 169 Ų | 169 | 112.2 Ų | 112.2 | 64% | 0.638 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.6 | -48.1 | -175.4 | -76.2 | 178.1 | 179.1 | -162.3 | 0.5 | 113.2 | C175 R183 | C175-R179 WeakPolarHBondContact O-CB 3.41Å; C175-R179 VanDerWaalsContact O-CG 3.3Å; C175-R179 WeakPolarHBondContact O-CG 2.9Å; C175-R179 PolarHBondContact O-N 3.15Å; R179-R183 WeakPolarHBondContact O-CB 3.3Å; R179-R183 WeakPolarHBondContact O-CG 3.4Å; R179-R183 PolarHBondContact O-N 3.47Å |
| 180 | P | 81.1 | Confident | 87.8 | Confident | 71 Ų | 71 | 112 Ų | 112 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.2 | -22.7 | 34.4 | 0 | 0 | 0 | 111.9 | G176 R182 R183 T184 | G176-P180 WeakPolarHBondContact O-CD 3.32Å; G176-P180 VanDerWaalsContact O-CG 3.31Å; G176-P180 WeakPolarHBondContact O-CG 3.37Å; P180-R182 VanDerWaalsContact C-N 3.33Å; P180-R182 PolarHBondContact O-N 3.08Å; P180-R183 PolarHBondContact O-N 3.39Å; P180-R183 VanDerWaalsContact O-N 3.13Å; P180-T184 PolarHBondContact O-N 2.88Å; P180-T184 PolarHBondContact O-OG1 3.13Å; P180-T184 VanDerWaalsContact O-OG1 3.08Å |
| 181 | A | 81.9 | Confident | 87.8 | Confident | 65 Ų | 65 | 110.9 Ų | 110.9 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -56.8 | -45.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A185 | A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 3.01Å |
| 182 | R | 86.8 | Confident | 88 | Confident | 195 Ų | 195 | 112.9 Ų | 112.9 | 74% | 0.736 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 176.2 | -172.3 | -178.6 | -179.4 | -107.6 | 2.6 | 112.2 | R178 P180 A185 V186 | R178-R182 WeakPolarHBondContact O-CB 3.39Å; R178-R182 PolarHBondContact O-N 2.89Å; P180-R182 VanDerWaalsContact C-N 3.33Å; P180-R182 PolarHBondContact O-N 3.08Å; R182-A185 PolarHBondContact O-N 3.03Å; R182-V186 WeakPolarHBondContact O-CG2 3.49Å; R182-V186 PolarHBondContact O-N 3.01Å |
| 183 | R | 87.7 | Confident | 88.2 | Confident | 179 Ų | 179 | 113.5 Ų | 113.5 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -48 | 178.3 | -77.4 | 178.4 | 176.7 | -175.4 | -2.3 | 111.3 | R179 P180 A185 V186 I187 | R179-R183 WeakPolarHBondContact O-CB 3.3Å; R179-R183 WeakPolarHBondContact O-CG 3.4Å; R179-R183 PolarHBondContact O-N 3.47Å; P180-R183 PolarHBondContact O-N 3.39Å; P180-R183 VanDerWaalsContact O-N 3.13Å; R183-A185 PolarHBondContact O-N 3.33Å; R183-V186 PolarHBondContact O-N 3.37Å; R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 3.49Å |
| 184 | T | 90.1 | Very high | 88.3 | Confident | 85 Ų | 85 | 111.8 Ų | 111.8 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | P180 V186 I187 V188 | P180-T184 PolarHBondContact O-N 2.88Å; P180-T184 PolarHBondContact O-OG1 3.13Å; P180-T184 VanDerWaalsContact O-OG1 3.08Å; T184-V186 VanDerWaalsContact C-N 3.33Å; T184-V186 PolarHBondContact O-N 3.42Å; T184-I187 PolarHBondContact O-N 3.45Å; T184-V188 HydrophobicContact CG2-CG2 4.38Å; T184-V188 WeakPolarHBondContact O-CG2 3.25Å; T184-V188 PolarHBondContact O-N 3.3Å |
| 185 | A | 92.1 | Very high | 88.6 | Confident | 45 Ų | 45 | 107.8 Ų | 107.8 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A181 R182 R183 V188 Q189 | A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 3.01Å; R182-A185 PolarHBondContact O-N 3.03Å; R183-A185 PolarHBondContact O-N 3.33Å; A185-V188 PolarHBondContact O-N 3.25Å; A185-Q189 WeakPolarHBondContact O-CB 3.41Å; A185-Q189 VanDerWaalsContact O-CG 3.25Å; A185-Q189 WeakPolarHBondContact O-CG 3.31Å; A185-Q189 PolarHBondContact O-N 2.95Å |
| 186 | V | 94.6 | Very high | 89.3 | Confident | 71 Ų | 71 | 109.9 Ų | 109.9 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.1 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | R182 R183 T184 V188 Q189 Q190 | R182-V186 WeakPolarHBondContact O-CG2 3.49Å; R182-V186 PolarHBondContact O-N 3.01Å; R183-V186 PolarHBondContact O-N 3.37Å; T184-V186 VanDerWaalsContact C-N 3.33Å; T184-V186 PolarHBondContact O-N 3.42Å; V186-V188 PolarHBondContact O-N 3.06Å; V186-Q189 PolarHBondContact O-N 2.91Å; V186-Q190 WeakPolarHBondContact O-CB 3.33Å; V186-Q190 PolarHBondContact O-N 2.93Å |
| 187 | I | 94.4 | Very high | 90.1 | Very high | 92 Ų | 92 | 113 Ų | 113 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 178.9 | -67.2 | 167.3 | 0 | 0 | 0 | 110.8 | R183 T184 Q190 K191 | R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 3.49Å; T184-I187 PolarHBondContact O-N 3.45Å; I187-Q190 PolarHBondContact O-N 2.96Å; I187-K191 PolarHBondContact O-N 2.95Å |
| 188 | V | 94.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 107.8 Ų | 107.8 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | T184 A185 V186 Q190 K191 L192 | T184-V188 HydrophobicContact CG2-CG2 4.38Å; T184-V188 WeakPolarHBondContact O-CG2 3.25Å; T184-V188 PolarHBondContact O-N 3.3Å; A185-V188 PolarHBondContact O-N 3.25Å; V186-V188 PolarHBondContact O-N 3.06Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 3.38Å; V188-K191 PolarHBondContact O-N 3.26Å; V188-L192 WeakPolarHBondContact O-CB 3.4Å; V188-L192 PolarHBondContact O-N 3.37Å |
| 189 | Q | 95 | Very high | 92.2 | Very high | 98 Ų | 98 | 105.6 Ų | 105.6 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.7 | -74.3 | 177.7 | -3 | 0 | 0 | 112.2 | A185 V186 L192 R193 | A185-Q189 WeakPolarHBondContact O-CB 3.41Å; A185-Q189 VanDerWaalsContact O-CG 3.25Å; A185-Q189 WeakPolarHBondContact O-CG 3.31Å; A185-Q189 PolarHBondContact O-N 2.95Å; V186-Q189 PolarHBondContact O-N 2.91Å; Q189-L192 PolarHBondContact O-N 2.94Å; Q189-R193 WeakPolarHBondContact O-CB 3.46Å; Q189-R193 VanDerWaalsContact O-CG 3.31Å; Q189-R193 WeakPolarHBondContact O-CG 3.41Å; Q189-R193 PolarHBondContact O-N 3.35Å |
| 190 | Q | 94.9 | Very high | 93.1 | Very high | 130 Ų | 130 | 104.8 Ų | 104.8 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -47.9 | 177.6 | -175 | 176.9 | 2.9 | 0 | 0 | 111.6 | V186 I187 V188 L192 R193 S194 | V186-Q190 WeakPolarHBondContact O-CB 3.33Å; V186-Q190 PolarHBondContact O-N 2.93Å; I187-Q190 PolarHBondContact O-N 2.96Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 3.38Å; Q190-L192 VanDerWaalsContact C-N 3.31Å; Q190-L192 PolarHBondContact O-N 3.4Å; Q190-R193 PolarHBondContact O-N 3.28Å; Q190-S194 PolarHBondContact O-N 2.96Å; Q190-S194 PolarHBondContact O-OG 3.47Å |
| 191 | K | 95.9 | Very high | 93.8 | Very high | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 176.7 | -75.9 | -166.4 | 175.5 | -170.1 | 0 | 112.4 | I187 V188 S194 S195 | I187-K191 PolarHBondContact O-N 2.95Å; V188-K191 PolarHBondContact O-N 3.26Å; K191-S194 PolarHBondContact O-OG 2.96Å; K191-S195 VanDerWaalsContact O-CB 3.31Å; K191-S195 WeakPolarHBondContact O-CB 3.45Å; K191-S195 PolarHBondContact O-N 2.97Å |
| 192 | L | 96.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 107.5 Ų | 107.5 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 176.7 | -177.2 | 63.5 | 0 | 0 | 0 | 110.9 | V188 Q189 Q190 S194 S195 L196 | V188-L192 WeakPolarHBondContact O-CB 3.4Å; V188-L192 PolarHBondContact O-N 3.37Å; Q189-L192 PolarHBondContact O-N 2.94Å; Q190-L192 VanDerWaalsContact C-N 3.31Å; Q190-L192 PolarHBondContact O-N 3.4Å; L192-S194 PolarHBondContact O-N 3.46Å; L192-S195 PolarHBondContact O-N 3.43Å; L192-L196 HydrophobicContact CD1-CD1 4.35Å; L192-L196 HydrophobicContact CD1-CG 4.37Å; L192-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 WeakPolarHBondContact O-CB 3.28Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 2.94Å |
| 193 | R | 95.9 | Very high | 95 | Very high | 170 Ų | 170 | 103.5 Ų | 103.5 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.5 | -45.2 | 177 | -76.4 | -179.3 | -178.2 | 119 | -0.1 | 112 | Q189 Q190 L196 L197 | Q189-R193 WeakPolarHBondContact O-CB 3.46Å; Q189-R193 VanDerWaalsContact O-CG 3.31Å; Q189-R193 WeakPolarHBondContact O-CG 3.41Å; Q189-R193 PolarHBondContact O-N 3.35Å; Q190-R193 PolarHBondContact O-N 3.28Å; R193-L196 PolarHBondContact O-N 3.38Å; R193-L197 WeakPolarHBondContact O-CB 3.5Å; R193-L197 PolarHBondContact O-N 3.44Å |
| 194 | S | 94.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 97.3 Ų | 97.3 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.1 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | Q190 K191 L192 L196 L197 T198 | Q190-S194 PolarHBondContact O-N 2.96Å; Q190-S194 PolarHBondContact O-OG 3.47Å; K191-S194 PolarHBondContact O-OG 2.96Å; L192-S194 PolarHBondContact O-N 3.46Å; S194-L196 VanDerWaalsContact C-N 3.34Å; S194-L196 PolarHBondContact O-N 3.09Å; S194-L197 PolarHBondContact O-N 2.94Å; S194-T198 PolarHBondContact O-N 3.16Å; S194-T198 PolarHBondContact O-OG1 2.94Å; S194-T198 VanDerWaalsContact O-OG1 3.06Å |
| 195 | S | 96.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 95.5 Ų | 95.5 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | K191 L192 L197 T198 K199 | K191-S195 VanDerWaalsContact O-CB 3.31Å; K191-S195 WeakPolarHBondContact O-CB 3.45Å; K191-S195 PolarHBondContact O-N 2.97Å; L192-S195 PolarHBondContact O-N 3.43Å; S195-L197 VanDerWaalsContact C-N 3.35Å; S195-T198 PolarHBondContact O-N 3.47Å; S195-K199 WeakPolarHBondContact O-CB 3.47Å; S195-K199 VanDerWaalsContact O-CG 3.32Å; S195-K199 WeakPolarHBondContact O-CG 3.49Å; S195-K199 PolarHBondContact O-N 3.19Å |
| 196 | L | 97 | Very high | 95.9 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 176.6 | -72.2 | 173.1 | 0 | 0 | 0 | 112 | L192 R193 S194 K199 K200 | L192-L196 HydrophobicContact CD1-CD1 4.35Å; L192-L196 HydrophobicContact CD1-CG 4.37Å; L192-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 WeakPolarHBondContact O-CB 3.28Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 2.94Å; R193-L196 PolarHBondContact O-N 3.38Å; S194-L196 VanDerWaalsContact C-N 3.34Å; S194-L196 PolarHBondContact O-N 3.09Å; L196-K199 PolarHBondContact O-N 3.03Å; L196-K200 WeakPolarHBondContact O-CG 3.46Å; L196-K200 PolarHBondContact O-N 3.37Å; L196-K200 VanDerWaalsContact O-N 3.1Å |
| 197 | L | 96.7 | Very high | 96 | Very high | 100 Ų | 100 | 102.4 Ų | 102.4 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 176.7 | -176.8 | 62.4 | 0 | 0 | 0 | 111.4 | R193 S194 S195 K199 K200 Q201 | R193-L197 WeakPolarHBondContact O-CB 3.5Å; R193-L197 PolarHBondContact O-N 3.44Å; S194-L197 PolarHBondContact O-N 2.94Å; S195-L197 VanDerWaalsContact C-N 3.35Å; L197-K199 VanDerWaalsContact C-N 3.35Å; L197-K199 PolarHBondContact O-N 3.1Å; L197-K200 WeakPolarHBondContact O-CB 3.32Å; L197-K200 PolarHBondContact O-N 3.46Å; L197-K200 VanDerWaalsContact O-N 3.16Å; L197-Q201 PolarHBondContact O-N 2.99Å |
| 198 | T | 95.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.6 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | S194 S195 K200 Q201 D202 | S194-T198 PolarHBondContact O-N 3.16Å; S194-T198 PolarHBondContact O-OG1 2.94Å; S194-T198 VanDerWaalsContact O-OG1 3.06Å; S195-T198 PolarHBondContact O-N 3.47Å; T198-K200 VanDerWaalsContact C-N 3.28Å; T198-K200 PolarHBondContact O-N 3.43Å; T198-Q201 PolarHBondContact O-N 3.06Å; T198-Q201 VanDerWaalsContact O-N 3.16Å; T198-D202 WeakPolarHBondContact O-CB 3.41Å; T198-D202 PolarHBondContact O-N 2.84Å |
| 199 | K | 95.9 | Very high | 96.2 | Very high | 131 Ų | 131 | 103.6 Ų | 103.6 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -38.3 | 176.2 | -75.8 | 179.3 | -179.4 | -176.8 | 0 | 112.7 | S195 L196 L197 Q203 | S195-K199 WeakPolarHBondContact O-CB 3.47Å; S195-K199 VanDerWaalsContact O-CG 3.32Å; S195-K199 WeakPolarHBondContact O-CG 3.49Å; S195-K199 PolarHBondContact O-N 3.19Å; L196-K199 PolarHBondContact O-N 3.03Å; L197-K199 VanDerWaalsContact C-N 3.35Å; L197-K199 PolarHBondContact O-N 3.1Å; K199-Q203 WeakPolarHBondContact O-CB 3.46Å; K199-Q203 PolarHBondContact O-N 3.32Å; K199-Q203 VanDerWaalsContact O-N 3.09Å |
| 200 | K | 96.3 | Very high | 96.3 | Very high | 152 Ų | 152 | 107 Ų | 107 | 66% | 0.661 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.6 | -45.6 | 175.1 | -74.9 | -176.4 | 175.9 | -172.1 | 0 | 111.7 | L196 L197 T198 Q203 A204 | L196-K200 WeakPolarHBondContact O-CG 3.46Å; L196-K200 PolarHBondContact O-N 3.37Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L197-K200 WeakPolarHBondContact O-CB 3.32Å; L197-K200 PolarHBondContact O-N 3.46Å; L197-K200 VanDerWaalsContact O-N 3.16Å; T198-K200 VanDerWaalsContact C-N 3.28Å; T198-K200 PolarHBondContact O-N 3.43Å; K200-Q203 PolarHBondContact O-N 3.16Å; K200-A204 PolarHBondContact O-N 3.08Å; K200-A204 VanDerWaalsContact O-N 3.08Å |
| 201 | Q | 96.3 | Very high | 96.4 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 177.1 | -72.3 | 178.7 | -19.5 | 0 | 0 | 111.6 | L197 T198 Q203 A204 A205 | L197-Q201 PolarHBondContact O-N 2.99Å; T198-Q201 PolarHBondContact O-N 3.06Å; T198-Q201 VanDerWaalsContact O-N 3.16Å; Q201-Q203 VanDerWaalsContact C-N 3.31Å; Q201-Q203 PolarHBondContact O-N 3.3Å; Q201-A204 WeakPolarHBondContact O-CB 3.32Å; Q201-A204 PolarHBondContact O-N 2.87Å; Q201-A204 VanDerWaalsContact O-N 3.14Å; Q201-A205 WeakPolarHBondContact O-CB 3.38Å; Q201-A205 PolarHBondContact O-N 3.45Å |
| 202 | D | 96.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 104 Ų | 104 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.3 | -84.3 | -1.8 | 0 | 0 | 0 | 112.6 | T198 A205 R206 | T198-D202 WeakPolarHBondContact O-CB 3.41Å; T198-D202 PolarHBondContact O-N 2.84Å; D202-A205 PolarHBondContact O-N 2.8Å; D202-R206 WeakPolarHBondContact O-CB 3.43Å; D202-R206 VanDerWaalsContact O-CG 3.32Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.14Å |
| 203 | Q | 96.8 | Very high | 96.4 | Very high | 112 Ų | 112 | 107.9 Ų | 107.9 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.5 | -168.7 | -179.5 | 24.2 | 0 | 0 | 111.1 | K199 K200 Q201 K207 | K199-Q203 WeakPolarHBondContact O-CB 3.46Å; K199-Q203 PolarHBondContact O-N 3.32Å; K199-Q203 VanDerWaalsContact O-N 3.09Å; K200-Q203 PolarHBondContact O-N 3.16Å; Q201-Q203 VanDerWaalsContact C-N 3.31Å; Q201-Q203 PolarHBondContact O-N 3.3Å; Q203-K207 WeakPolarHBondContact O-CG 3.37Å; Q203-K207 PolarHBondContact O-N 3.08Å; Q203-K207 VanDerWaalsContact O-N 3.08Å |
| 204 | A | 96.3 | Very high | 96.4 | Very high | 49 Ų | 49 | 108 Ų | 108 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K200 Q201 R206 K207 I208 | K200-A204 PolarHBondContact O-N 3.08Å; K200-A204 VanDerWaalsContact O-N 3.08Å; Q201-A204 WeakPolarHBondContact O-CB 3.32Å; Q201-A204 PolarHBondContact O-N 2.87Å; Q201-A204 VanDerWaalsContact O-N 3.14Å; A204-R206 VanDerWaalsContact C-N 3.33Å; A204-R206 PolarHBondContact O-N 3.43Å; A204-K207 WeakPolarHBondContact O-CB 3.43Å; A204-K207 PolarHBondContact O-N 3.4Å; A204-K207 VanDerWaalsContact O-N 3.07Å; A204-I208 WeakPolarHBondContact O-CG1 3.45Å; A204-I208 PolarHBondContact O-N 3.36Å |
| 205 | A | 96.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 106.7 Ų | 106.7 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q201 D202 K207 I208 M209 | Q201-A205 WeakPolarHBondContact O-CB 3.38Å; Q201-A205 PolarHBondContact O-N 3.45Å; D202-A205 PolarHBondContact O-N 2.8Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.38Å; A205-I208 PolarHBondContact O-N 2.81Å; A205-M209 WeakPolarHBondContact O-CB 3.3Å; A205-M209 WeakPolarHBondContact O-CG 3.49Å; A205-M209 PolarHBondContact O-N 3.27Å |
| 206 | R | 96.9 | Very high | 96.3 | Very high | 121 Ų | 121 | 112.8 Ų | 112.8 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.7 | -77.3 | -172.7 | -70.7 | -93.6 | -1.4 | 112.4 | D202 A204 R210 | D202-R206 WeakPolarHBondContact O-CB 3.43Å; D202-R206 VanDerWaalsContact O-CG 3.32Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.14Å; A204-R206 VanDerWaalsContact C-N 3.33Å; A204-R206 PolarHBondContact O-N 3.43Å; R206-R210 WeakPolarHBondContact O-CB 3.41Å; R206-R210 VanDerWaalsContact O-CG 3.3Å; R206-R210 WeakPolarHBondContact O-CG 3.41Å; R206-R210 PolarHBondContact O-N 3.07Å |
| 207 | K | 97.3 | Very high | 96.2 | Very high | 140 Ų | 140 | 114 Ų | 114 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 175 | -74.4 | -180 | 177.8 | -175.8 | 0 | 111.1 | Q203 A204 A205 R210 F211 | Q203-K207 WeakPolarHBondContact O-CG 3.37Å; Q203-K207 PolarHBondContact O-N 3.08Å; Q203-K207 VanDerWaalsContact O-N 3.08Å; A204-K207 WeakPolarHBondContact O-CB 3.43Å; A204-K207 PolarHBondContact O-N 3.4Å; A204-K207 VanDerWaalsContact O-N 3.07Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.38Å; K207-R210 PolarHBondContact O-N 3.35Å; K207-F211 PolarHBondContact O-N 3Å |
| 208 | I | 96.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 117.2 Ų | 117.2 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 176.7 | -65.5 | 167.3 | 0 | 0 | 0 | 110.4 | A204 A205 R210 F211 L212 | A204-I208 WeakPolarHBondContact O-CG1 3.45Å; A204-I208 PolarHBondContact O-N 3.36Å; A205-I208 PolarHBondContact O-N 2.81Å; I208-R210 VanDerWaalsContact C-N 3.35Å; I208-R210 PolarHBondContact O-N 2.92Å; I208-F211 WeakPolarHBondContact O-CB 3.36Å; I208-F211 PolarHBondContact O-N 3.34Å; I208-F211 VanDerWaalsContact O-N 3.11Å; I208-L212 HydrophobicContact CG2-CD1 3.91Å; I208-L212 HydrophobicContact CG2-CG 4.22Å; I208-L212 WeakPolarHBondContact O-CG 3.47Å; I208-L212 PolarHBondContact O-N 3.5Å |
| 209 | M | 96.4 | Very high | 96 | Very high | 106 Ų | 106 | 117.6 Ų | 117.6 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 179.3 | -74.8 | -140.2 | -68.5 | 0 | 0 | 112.9 | A205 F211 L212 R213 | A205-M209 WeakPolarHBondContact O-CB 3.3Å; A205-M209 WeakPolarHBondContact O-CG 3.49Å; A205-M209 PolarHBondContact O-N 3.27Å; M209-F211 VanDerWaalsContact C-N 3.33Å; M209-F211 PolarHBondContact O-N 2.93Å; M209-L212 PolarHBondContact O-N 3.06Å; M209-R213 WeakPolarHBondContact O-CB 3.4Å; M209-R213 WeakPolarHBondContact O-CG 3.39Å; M209-R213 PolarHBondContact O-N 3.07Å |
| 210 | R | 96.8 | Very high | 95.7 | Very high | 170 Ų | 170 | 116.7 Ų | 116.7 | 64% | 0.642 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 175.1 | -74.7 | 176.4 | -175.9 | -176.1 | 0.7 | 111.6 | R206 K207 I208 R214 | R206-R210 WeakPolarHBondContact O-CB 3.41Å; R206-R210 VanDerWaalsContact O-CG 3.3Å; R206-R210 WeakPolarHBondContact O-CG 3.41Å; R206-R210 PolarHBondContact O-N 3.07Å; K207-R210 PolarHBondContact O-N 3.35Å; I208-R210 VanDerWaalsContact C-N 3.35Å; I208-R210 PolarHBondContact O-N 2.92Å; R210-R214 PolarHBondContact O-N 2.86Å; R210-R214 VanDerWaalsContact O-N 3.11Å |
| 211 | F | 97.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 113.4 Ų | 113.4 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -50.5 | 174.6 | 175.4 | -101.1 | 0 | 0 | 0 | 111.5 | K207 I208 M209 R213 R214 C215 | K207-F211 PolarHBondContact O-N 3Å; I208-F211 WeakPolarHBondContact O-CB 3.36Å; I208-F211 PolarHBondContact O-N 3.34Å; I208-F211 VanDerWaalsContact O-N 3.11Å; M209-F211 VanDerWaalsContact C-N 3.33Å; M209-F211 PolarHBondContact O-N 2.93Å; F211-R213 VanDerWaalsContact C-N 3.32Å; F211-R213 PolarHBondContact O-N 3.11Å; F211-R214 WeakPolarHBondContact O-CB 3.45Å; F211-R214 PolarHBondContact O-N 3.11Å; F211-C215 VanDerWaalsContact CE1-SG 3.59Å; F211-C215 WeakPolarHBondContact CZ-SG 3.48Å; F211-C215 PolarHBondContact O-N 2.9Å; F211-C215 PolarHBondContact O-SG 3.39Å |
| 212 | L | 96.8 | Very high | 95 | Very high | 100 Ų | 100 | 113.3 Ų | 113.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 178.1 | -68.1 | 176.4 | 0 | 0 | 0 | 112.5 | I208 M209 C215 R216 | I208-L212 HydrophobicContact CG2-CD1 3.91Å; I208-L212 HydrophobicContact CG2-CG 4.22Å; I208-L212 WeakPolarHBondContact O-CG 3.47Å; I208-L212 PolarHBondContact O-N 3.5Å; M209-L212 PolarHBondContact O-N 3.06Å; L212-C215 PolarHBondContact O-N 3.1Å; L212-R216 WeakPolarHBondContact O-CB 3.43Å; L212-R216 PolarHBondContact O-N 3.3Å |
| 213 | R | 96.2 | Very high | 94.5 | Very high | 186 Ų | 186 | 116.1 Ų | 116.1 | 70% | 0.702 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 173.8 | -76.5 | -179.1 | -176.5 | -162.5 | 0.8 | 111.9 | M209 F211 R216 H217 | M209-R213 WeakPolarHBondContact O-CB 3.4Å; M209-R213 WeakPolarHBondContact O-CG 3.39Å; M209-R213 PolarHBondContact O-N 3.07Å; F211-R213 VanDerWaalsContact C-N 3.32Å; F211-R213 PolarHBondContact O-N 3.11Å; R213-R216 PolarHBondContact O-N 2.89Å; R213-H217 PolarHBondContact O-N 3.46Å |
| 214 | R | 95.6 | Very high | 93.8 | Very high | 173 Ų | 173 | 116 Ų | 116 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 175.7 | -77 | -173.5 | -70.8 | -156.8 | 2.2 | 112.2 | R210 F211 R216 H217 R218 | R210-R214 PolarHBondContact O-N 2.86Å; R210-R214 VanDerWaalsContact O-N 3.11Å; F211-R214 WeakPolarHBondContact O-CB 3.45Å; F211-R214 PolarHBondContact O-N 3.11Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 2.86Å; R214-H217 PolarHBondContact O-N 3.35Å; R214-R218 WeakPolarHBondContact O-CB 3.44Å; R214-R218 PolarHBondContact O-N 2.89Å |
| 215 | C | 94.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 115.7 Ų | 115.7 | 22% | 0.223 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | F211 L212 H217 R218 V219 | F211-C215 VanDerWaalsContact CE1-SG 3.59Å; F211-C215 WeakPolarHBondContact CZ-SG 3.48Å; F211-C215 PolarHBondContact O-N 2.9Å; F211-C215 PolarHBondContact O-SG 3.39Å; L212-C215 PolarHBondContact O-N 3.1Å; C215-H217 PolarHBondContact O-N 2.91Å; C215-R218 PolarHBondContact O-N 2.94Å; C215-V219 WeakPolarHBondContact O-CG2 3.44Å; C215-V219 PolarHBondContact O-N 2.89Å |
| 216 | R | 94.9 | Very high | 92.2 | Very high | 179 Ų | 179 | 119.9 Ų | 119.9 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 177.3 | -170.1 | 178.1 | 177 | -169.8 | -1.8 | 112.1 | L212 R213 R214 K220 | L212-R216 WeakPolarHBondContact O-CB 3.43Å; L212-R216 PolarHBondContact O-N 3.3Å; R213-R216 PolarHBondContact O-N 2.89Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 2.86Å; R216-K220 WeakPolarHBondContact O-CG 3.39Å; R216-K220 PolarHBondContact O-N 3.05Å; R216-K220 VanDerWaalsContact O-N 3.1Å |
| 217 | H | 94.6 | Very high | 91.3 | Very high | 115 Ų | 115 | 119.6 Ų | 119.6 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 174.6 | -172.4 | -78.9 | 0 | 0 | 0 | 111.1 | R213 R214 C215 V219 K220 E221 | R213-H217 PolarHBondContact O-N 3.46Å; R214-H217 PolarHBondContact O-N 3.35Å; C215-H217 PolarHBondContact O-N 2.91Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 3.3Å; H217-K220 WeakPolarHBondContact O-CB 3.42Å; H217-K220 PolarHBondContact O-N 3.46Å; H217-E221 WeakPolarHBondContact CE1-CG 3.37Å; H217-E221 WeakPolarHBondContact O-CG 3.3Å; H217-E221 PolarHBondContact O-N 3.47Å |
| 218 | R | 94 | Very high | 90 | Very high | 168 Ų | 168 | 118.2 Ų | 118.2 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.9 | -40.3 | 179.6 | -169.8 | 163.5 | 65.2 | 175.8 | 4 | 112.5 | R214 C215 E221 L222 | R214-R218 WeakPolarHBondContact O-CB 3.44Å; R214-R218 PolarHBondContact O-N 2.89Å; C215-R218 PolarHBondContact O-N 2.94Å; R218-E221 PolarHBondContact O-N 2.8Å; R218-L222 HydrophobicContact CG-CD1 4.31Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 VanDerWaalsContact O-CG 3.31Å; R218-L222 WeakPolarHBondContact O-CG 3.35Å; R218-L222 PolarHBondContact O-N 3.33Å |
| 219 | V | 93.1 | Very high | 88.7 | Confident | 79 Ų | 79 | 119.2 Ų | 119.2 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | C215 H217 K223 | C215-V219 WeakPolarHBondContact O-CG2 3.44Å; C215-V219 PolarHBondContact O-N 2.89Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 3.3Å; V219-K223 WeakPolarHBondContact O-CG 3.44Å; V219-K223 PolarHBondContact O-N 3Å |
| 220 | K | 90.8 | Very high | 87.3 | Confident | 112 Ų | 112 | 118.9 Ų | 118.9 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.3 | -74.8 | -176.8 | 175.9 | -166.9 | 0 | 112 | R216 H217 K223 K224 | R216-K220 WeakPolarHBondContact O-CG 3.39Å; R216-K220 PolarHBondContact O-N 3.05Å; R216-K220 VanDerWaalsContact O-N 3.1Å; H217-K220 WeakPolarHBondContact O-CB 3.42Å; H217-K220 PolarHBondContact O-N 3.46Å; K220-K223 PolarHBondContact O-N 2.89Å; K220-K224 WeakPolarHBondContact O-CG 3.31Å; K220-K224 PolarHBondContact O-N 3.35Å |
| 221 | E | 89.6 | Confident | 85.6 | Confident | 83 Ų | 83 | 116.1 Ų | 116.1 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 178.5 | -66.5 | -62.7 | 105.4 | 0 | 0 | 111.7 | H217 R218 K223 K224 A225 | H217-E221 WeakPolarHBondContact CE1-CG 3.37Å; H217-E221 WeakPolarHBondContact O-CG 3.3Å; H217-E221 PolarHBondContact O-N 3.47Å; R218-E221 PolarHBondContact O-N 2.8Å; E221-K223 VanDerWaalsContact C-N 3.3Å; E221-K223 PolarHBondContact O-N 3.29Å; E221-K224 PolarHBondContact O-N 3.41Å; E221-K224 IonicContact OE1-NZ 2.99Å; E221-K224 PolarHBondContact OE1-NZ 2.94Å; E221-A225 VanDerWaalsContact O-CB 3.3Å; E221-A225 WeakPolarHBondContact O-CB 3.46Å; E221-A225 PolarHBondContact O-N 3.38Å |
| 222 | L | 88.9 | Confident | 83.8 | Confident | 115 Ų | 115 | 118.2 Ų | 118.2 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -37.6 | 173.3 | -72.3 | 171.1 | 0 | 0 | 0 | 112.2 | R218 K226 | R218-L222 HydrophobicContact CG-CD1 4.31Å; R218-L222 WeakPolarHBondContact O-CB 3.45Å; R218-L222 VanDerWaalsContact O-CG 3.31Å; R218-L222 WeakPolarHBondContact O-CG 3.35Å; R218-L222 PolarHBondContact O-N 3.33Å; L222-K226 WeakPolarHBondContact O-CB 3.31Å; L222-K226 PolarHBondContact O-N 2.89Å |
| 223 | K | 84.9 | Confident | 81.9 | Confident | 133 Ų | 133 | 121.3 Ų | 121.3 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -48.7 | 173.8 | -77.6 | -175.5 | 177.6 | -163 | 0 | 111.9 | V219 K220 E221 K226 E227 | V219-K223 WeakPolarHBondContact O-CG 3.44Å; V219-K223 PolarHBondContact O-N 3Å; K220-K223 PolarHBondContact O-N 2.89Å; E221-K223 VanDerWaalsContact C-N 3.3Å; E221-K223 PolarHBondContact O-N 3.29Å; K223-K226 PolarHBondContact O-N 3.32Å; K223-E227 WeakPolarHBondContact O-CG 3.47Å; K223-E227 PolarHBondContact O-N 3.32Å |
| 224 | K | 82.2 | Confident | 80.1 | Confident | 109 Ų | 109 | 119.6 Ų | 119.6 | 47% | 0.474 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -41.4 | 176.4 | -70.1 | 176.7 | -172.8 | 166 | 0 | 112.7 | K220 E221 K226 E227 L228 | K220-K224 WeakPolarHBondContact O-CG 3.31Å; K220-K224 PolarHBondContact O-N 3.35Å; E221-K224 PolarHBondContact O-N 3.41Å; E221-K224 IonicContact OE1-NZ 2.99Å; E221-K224 PolarHBondContact OE1-NZ 2.94Å; K224-K226 VanDerWaalsContact C-N 3.3Å; K224-K226 PolarHBondContact O-N 3.35Å; K224-E227 PolarHBondContact O-N 2.99Å; K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 VanDerWaalsContact O-CG 3.31Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 2.87Å |
| 225 | A | 82 | Confident | 77.8 | Confident | 44 Ų | 44 | 116.6 Ų | 116.6 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E221 L228 E229 | E221-A225 VanDerWaalsContact O-CB 3.3Å; E221-A225 WeakPolarHBondContact O-CB 3.46Å; E221-A225 PolarHBondContact O-N 3.38Å; A225-L228 PolarHBondContact O-N 3.45Å; A225-E229 WeakPolarHBondContact O-CG 3.35Å; A225-E229 PolarHBondContact O-N 3.3Å |
| 226 | K | 78.5 | Confident | 75.6 | Confident | 134 Ų | 134 | 122.8 Ų | 122.8 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.8 | -41.9 | 174.1 | -165.7 | 176.1 | -176.9 | -178.5 | 0 | 112.6 | L222 K223 K224 L228 E229 D230 | L222-K226 WeakPolarHBondContact O-CB 3.31Å; L222-K226 PolarHBondContact O-N 2.89Å; K223-K226 PolarHBondContact O-N 3.32Å; K224-K226 VanDerWaalsContact C-N 3.3Å; K224-K226 PolarHBondContact O-N 3.35Å; K226-L228 VanDerWaalsContact C-N 3.31Å; K226-L228 PolarHBondContact O-N 3.3Å; K226-E229 PolarHBondContact O-N 3.01Å; K226-D230 WeakPolarHBondContact O-CB 3.16Å; K226-D230 PolarHBondContact O-N 3.18Å |
| 227 | E | 76.7 | Confident | 73.2 | Confident | 115 Ų | 115 | 118.2 Ų | 118.2 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61 | -38.7 | 173.5 | -73.1 | 165.8 | -171.5 | 0 | 0 | 111.8 | K223 K224 I231 | K223-E227 WeakPolarHBondContact O-CG 3.47Å; K223-E227 PolarHBondContact O-N 3.32Å; K224-E227 PolarHBondContact O-N 2.99Å; E227-I231 WeakPolarHBondContact O-CD1 3.23Å; E227-I231 WeakPolarHBondContact O-CG1 3.44Å; E227-I231 PolarHBondContact O-N 3.04Å |
| 228 | L | 70.8 | Confident | 70.7 | Confident | 110 Ų | 110 | 125.2 Ų | 125.2 | 58% | 0.576 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.3 | -37.5 | 175.6 | -71.8 | 170.8 | 0 | 0 | 0 | 112.8 | K224 A225 K226 I231 Q232 | K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 VanDerWaalsContact O-CG 3.31Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 2.87Å; A225-L228 PolarHBondContact O-N 3.45Å; K226-L228 VanDerWaalsContact C-N 3.31Å; K226-L228 PolarHBondContact O-N 3.3Å; L228-I231 PolarHBondContact O-N 3.49Å; L228-Q232 PolarHBondContact O-N 2.9Å |
| 229 | E | 69.6 | Low | 69.5 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.5 | -42.2 | 171.9 | -78.1 | 179.6 | 175.9 | 0 | 0 | 111.4 | A225 K226 I231 Q232 Q233 | A225-E229 WeakPolarHBondContact O-CG 3.35Å; A225-E229 PolarHBondContact O-N 3.3Å; K226-E229 PolarHBondContact O-N 3.01Å; E229-I231 VanDerWaalsContact C-N 3.3Å; E229-I231 PolarHBondContact O-N 3.42Å; E229-Q232 PolarHBondContact O-N 2.87Å; E229-Q233 WeakPolarHBondContact O-CB 3.33Å; E229-Q233 VanDerWaalsContact O-CG 3.23Å; E229-Q233 WeakPolarHBondContact O-CG 3.46Å; E229-Q233 PolarHBondContact O-N 2.89Å |
| 230 | D | 66 | Low | 68.3 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64 | -34.3 | 175.4 | -73.2 | -20.6 | 0 | 0 | 0 | 111.5 | K226 H234 | K226-D230 WeakPolarHBondContact O-CB 3.16Å; K226-D230 PolarHBondContact O-N 3.18Å; D230-H234 PolarHBondContact O-N 3.49Å |
| 231 | I | 61.4 | Low | 67 | Low | 113 Ų | 113 | 126.1 Ų | 126.1 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.2 | -36 | 173 | -68 | 162.5 | 0 | 0 | 0 | 111.9 | E227 L228 E229 H234 | E227-I231 WeakPolarHBondContact O-CD1 3.23Å; E227-I231 WeakPolarHBondContact O-CG1 3.44Å; E227-I231 PolarHBondContact O-N 3.04Å; L228-I231 PolarHBondContact O-N 3.49Å; E229-I231 VanDerWaalsContact C-N 3.3Å; E229-I231 PolarHBondContact O-N 3.42Å; I231-H234 CarbonylContact O-C 3.56Å; I231-H234 PolarHBondContact O-N 3.32Å |
| 232 | Q | 58.8 | Low | 65.7 | Low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.1 | -30.8 | 175.3 | -82.6 | -173.3 | -41.9 | 0 | 0 | 113.3 | L228 E229 H234 | L228-Q232 PolarHBondContact O-N 2.9Å; E229-Q232 PolarHBondContact O-N 2.87Å; Q232-H234 VanDerWaalsContact C-N 3.28Å |
| 233 | Q | 56.5 | Low | 64.3 | Low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.9 | -16.6 | 175.8 | -69.5 | -86.9 | -28.6 | 0 | 0 | 112.5 | E229 | E229-Q233 WeakPolarHBondContact O-CB 3.33Å; E229-Q233 VanDerWaalsContact O-CG 3.23Å; E229-Q233 WeakPolarHBondContact O-CG 3.46Å; E229-Q233 PolarHBondContact O-N 2.89Å |
| 234 | H | 57.9 | Low | 62.9 | Low | 150 Ų | 150 | 129.3 Ų | 129.3 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | trans | -134.3 | 75.7 | 176.8 | -115.9 | -54.8 | 0 | 0 | 0 | 112.3 | D230 I231 Q232 L236 | D230-H234 PolarHBondContact O-N 3.49Å; I231-H234 CarbonylContact O-C 3.56Å; I231-H234 PolarHBondContact O-N 3.32Å; Q232-H234 VanDerWaalsContact C-N 3.28Å; H234-L236 PolarHBondContact O-N 3.14Å; H234-L236 VanDerWaalsContact O-N 3.14Å | ||
| 235 | P | 48.1 | Very low | 61.5 | Low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | trans | -70.7 | 111 | 168.1 | 24.4 | -22.6 | 0 | 0 | 0 | 109.1 | ||||
| 236 | L | 47.6 | Very low | 59.9 | Low | 162 Ų | 162 | 137.4 Ų | 137.4 | 85% | 0.848 | 70% | 0.703 | S | S | * | * | trans | -83.7 | 120.5 | 170.8 | -91.7 | 171.2 | 0 | 0 | 0 | 110.9 | H234 | H234-L236 PolarHBondContact O-N 3.14Å; H234-L236 VanDerWaalsContact O-N 3.14Å | ||
| 237 | A | 46 | Very low | 58.4 | Low | 84 Ų | 84 | 137.7 Ų | 137.7 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | trans | 71.7 | 115 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 238 | M | 41.1 | Very low | 56.7 | Low | 261 Ų | 261 | 139.7 Ų | 139.7 | 100% | 1.286 | 73% | 0.729 | S | S | * | * | -179.1 | 0 | 94.5 | -86.6 | -80.3 | -94.5 | 0 | 0 | 109.5 |
Retrieved 238 of 238 residues in 241.5 ms
(Link to these results)