| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.8 | Very low | 57.5 | Low | 246 Ų | 246 | 175.3 Ų | 175.3 | 100% | 1.212 | 88% | 0.882 | S | S | * | * | 0 | 119.5 | 0 | -77 | 169.2 | 148.4 | 0 | 0 | 108.9 | |||||
| 2 | K | 59.2 | Low | 57.3 | Low | 210 Ų | 210 | 174.8 Ų | 174.8 | 91% | 0.913 | 88% | 0.884 | S | S | * | * | trans | -111.4 | 138.5 | 171.5 | -68.9 | 179.9 | -179.7 | 179.2 | 0 | 108.4 | ||||
| 3 | P | 61.3 | Low | 57.1 | Low | 117 Ų | 117 | 178.4 Ų | 178.4 | 76% | 0.76 | 88% | 0.881 | S | S | * | * | trans | -115.7 | 118.4 | 156.6 | 25.9 | -10.6 | 0 | 0 | 0 | 113.1 | ||||
| 4 | K | 57.8 | Low | 56.4 | Low | 188 Ų | 188 | 176.9 Ų | 176.9 | 82% | 0.817 | 88% | 0.878 | S | S | * | * | 60.4 | 100.1 | 129.5 | -59.1 | 172.6 | -178.2 | 178.8 | 0 | 118.4 | |||||
| 5 | S | 63.7 | Low | 55.7 | Low | 121 Ų | 121 | 173.8 Ų | 173.8 | 85% | 0.846 | 88% | 0.88 | S | S | * | * | trans | -70.2 | 141.8 | 158.3 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | F | 65.5 | Low | 54.9 | Low | 189 Ų | 189 | 170 Ų | 170 | 83% | 0.829 | 88% | 0.884 | S | S | * | * | trans | -94.5 | 135.4 | 169.2 | -68 | -82.2 | 0 | 0 | 0 | 109.7 | S8 | F6-S8 PolarHBondContact O-N 2.87Š| ||
| 7 | P | 59.8 | Low | 54.1 | Low | 124 Ų | 124 | 164.5 Ų | 164.5 | 81% | 0.805 | 88% | 0.878 | S | S | * | * | trans | -83.7 | 114.4 | 171.7 | 32.1 | -27.6 | 0 | 0 | 0 | 109 | ||||
| 8 | S | 54.3 | Low | 53.2 | Low | 121 Ų | 121 | 163.2 Ų | 163.2 | 85% | 0.846 | 88% | 0.877 | S | S | * | * | trans | -105.7 | 71.8 | 165.8 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | F6 | F6-S8 PolarHBondContact O-N 2.87Š| ||
| 9 | R | 59.2 | Low | 52.3 | Low | 237 Ų | 237 | 160.6 Ų | 160.6 | 89% | 0.894 | 87% | 0.873 | S | S | * | * | trans | -81.4 | 112.8 | 151.5 | -76.9 | -171.4 | -172.2 | -161.8 | 2.7 | 106.4 | ||||
| 10 | L | 61.1 | Low | 51.6 | Low | 164 Ų | 164 | 155.6 Ų | 155.6 | 86% | 0.859 | 86% | 0.86 | S | S | * | * | trans | -173.2 | 53.9 | 151.3 | -100.9 | 170.8 | 0 | 0 | 0 | 110.2 | ||||
| 11 | F | 45.7 | Very low | 51 | Low | 211 Ų | 211 | 156.9 Ų | 156.9 | 93% | 0.925 | 86% | 0.86 | S | S | * | * | trans | -130.3 | 63.7 | 157.2 | -75.3 | -70.7 | 0 | 0 | 0 | 108.6 | R13 | F11-R13 PolarHBondContact O-N 2.8Š| ||
| 12 | D | 55.5 | Low | 51.2 | Low | 169 Ų | 169 | 155.8 Ų | 155.8 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | trans | -89.1 | 85.8 | 156 | -97.3 | -42.3 | 0 | 0 | 0 | 107.5 | ||||
| 13 | R | 53.8 | Low | 50.5 | Low | 222 Ų | 222 | 156.9 Ų | 156.9 | 84% | 0.838 | 84% | 0.84 | S | S | * | * | trans | -153.7 | 76 | 164.7 | -165.6 | 167.7 | 88.7 | 174.8 | 7 | 109.4 | F11 | F11-R13 PolarHBondContact O-N 2.8Š| ||
| 14 | N | 47.4 | Very low | 50.2 | Low | 157 Ų | 157 | 159.1 Ų | 159.1 | 84% | 0.84 | 85% | 0.846 | S | S | * | * | trans | -173.5 | 105.6 | 152.2 | -84.7 | -29.2 | 0 | 0 | 0 | 109 | ||||
| 15 | S | 46.1 | Very low | 49.8 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | 176.3 | 66.6 | 147 | -77.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | A | 42.5 | Very low | 49.3 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 93% | 0.934 | 85% | 0.845 | S | S | * | * | trans | -102.1 | 99.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 17 | G | 42.1 | Very low | 48.8 | Very low | 77 Ų | 77 | 151.3 Ų | 151.3 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | trans | -159.2 | 46.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 18 | V | 37.3 | Very low | 48.7 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -97 | 106.8 | 162.4 | 160.5 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 19 | S | 36.7 | Very low | 49 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | 79.2 | 135 | 95.6 | -166.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 20 | G | 39 | Very low | 48.8 | Very low | 60 Ų | 60 | 151.3 Ų | 151.3 | 62% | 0.619 | 83% | 0.83 | S | S | * | * | trans | 96.3 | 92.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | E | 37.3 | Very low | 48.8 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | 81.7 | 118.5 | 79.2 | -168.8 | 163.3 | -159.1 | 0 | 0 | 112.9 | |||||
| 22 | R | 49.2 | Very low | 49.4 | Very low | 223 Ų | 223 | 152 Ų | 152 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | 16.3 | 115.8 | 158.7 | -73.1 | -179.3 | 176.9 | -170.3 | 0.7 | 116.9 | ||||
| 23 | R | 45.4 | Very low | 49.5 | Very low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -134.4 | 93.9 | 135.3 | -70.4 | -165.9 | 175.3 | 163.4 | -0.2 | 110.4 | S25 | R23-S25 VanDerWaalsContact C-N 3.34Å; R23-S25 PolarHBondContact O-N 2.88Å; R23-S25 PolarHBondContact O-OG 2.86Å | ||
| 24 | N | 54.9 | Low | 49.7 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -48.8 | 105.6 | 148.8 | -95.9 | -28.7 | 0 | 0 | 0 | 106.8 | ||||
| 25 | S | 49.7 | Very low | 50 | Low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -92.5 | 115.8 | 177.9 | -53.6 | 0 | 0 | 0 | 0 | 106.7 | R23 A27 | R23-S25 VanDerWaalsContact C-N 3.34Å; R23-S25 PolarHBondContact O-N 2.88Å; R23-S25 PolarHBondContact O-OG 2.86Å; S25-A27 PolarHBondContact O-N 2.95Å | ||
| 26 | C | 51.8 | Low | 50.1 | Low | 128 Ų | 128 | 145.3 Ų | 145.3 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -39.6 | 125.7 | -178 | -77.6 | 0 | 0 | 0 | 0 | 112.6 | A28 | C26-A28 PolarHBondContact O-N 2.88Å; C26-A28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | A | 55.2 | Low | 50.3 | Low | 96 Ų | 96 | 146.1 Ų | 146.1 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -56.2 | 116.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | S25 K29 | S25-A27 PolarHBondContact O-N 2.95Å; A27-K29 PolarHBondContact O-N 2.76Å; A27-K29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | A | 58.7 | Low | 50.5 | Low | 67 Ų | 67 | 150 Ų | 150 | 55% | 0.554 | 80% | 0.795 | S | S | * | * | trans | -59.9 | 116.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.1 | C26 Y30 | C26-A28 PolarHBondContact O-N 2.88Å; C26-A28 VanDerWaalsContact O-N 3.11Å; A28-Y30 HydrophobicContact CB-CD2 4.19Å; A28-Y30 HydrophobicContact CB-CE2 3.68Å; A28-Y30 WeakPolarHBondContact O-CD2 3.22Å; A28-Y30 PolarHBondContact O-N 3.23Å; A28-Y30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | K | 61.3 | Low | 51 | Low | 204 Ų | 204 | 151.6 Ų | 151.6 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -74 | 98.7 | 171.3 | -75.2 | -178.4 | 178.7 | -179 | 0 | 108.3 | A27 Q31 | A27-K29 PolarHBondContact O-N 2.76Å; A27-K29 VanDerWaalsContact O-N 3.16Å; K29-Q31 PolarHBondContact O-N 3.12Å | ||
| 30 | Y | 53.5 | Low | 51.8 | Low | 211 Ų | 211 | 151.1 Ų | 151.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 104 | 165.9 | -68.7 | -82.8 | 0 | 0 | 0 | 108.7 | A28 R32 | A28-Y30 HydrophobicContact CB-CD2 4.19Å; A28-Y30 HydrophobicContact CB-CE2 3.68Å; A28-Y30 WeakPolarHBondContact O-CD2 3.22Å; A28-Y30 PolarHBondContact O-N 3.23Å; A28-Y30 VanDerWaalsContact O-N 3.13Å; Y30-R32 PolarHBondContact O-N 3.19Å | ||
| 31 | Q | 61.5 | Low | 51.9 | Low | 166 Ų | 166 | 153.8 Ų | 153.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -78.1 | 106.4 | 167.2 | -166.2 | 93.4 | 12.4 | 0 | 0 | 107.3 | K29 H33 | K29-Q31 PolarHBondContact O-N 3.12Å; Q31-H33 PolarHBondContact O-N 3.1Å | ||
| 32 | R | 59.5 | Low | 51.9 | Low | 223 Ų | 223 | 149.8 Ų | 149.8 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 105.5 | 174.4 | -154.7 | -170.6 | -61.1 | 137.3 | -2 | 107.5 | Y30 V34 | Y30-R32 PolarHBondContact O-N 3.19Å; R32-V34 PolarHBondContact O-N 2.88Å | ||
| 33 | H | 57.8 | Low | 51.2 | Low | 168 Ų | 168 | 146.7 Ų | 146.7 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | -68.4 | 110.7 | 167.4 | -92.4 | -102.8 | 0 | 0 | 0 | 107.7 | Q31 | Q31-H33 PolarHBondContact O-N 3.1Š| ||
| 34 | V | 57.3 | Low | 50.7 | Low | 114 Ų | 114 | 142.9 Ų | 142.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -91.7 | 119.2 | 162.1 | -88.8 | 0 | 0 | 0 | 0 | 106.2 | R32 S36 | R32-V34 PolarHBondContact O-N 2.88Å; V34-S36 PolarHBondContact O-N 3.22Å; V34-S36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | D | 53.6 | Low | 49.8 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -65.2 | 107.1 | 169 | -72.4 | -39.5 | 0 | 0 | 0 | 107.8 | V37 | D35-V37 PolarHBondContact O-N 3.19Š| ||
| 36 | S | 47 | Very low | 49.5 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 109.6 | 165.1 | -62.3 | 0 | 0 | 0 | 0 | 107.7 | V34 D38 | V34-S36 PolarHBondContact O-N 3.22Å; V34-S36 VanDerWaalsContact O-N 3.1Å; S36-D38 PolarHBondContact O-N 3.11Å | ||
| 37 | V | 48.2 | Very low | 49.2 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -62.5 | 109.9 | 161 | 159.5 | 0 | 0 | 0 | 0 | 107.5 | D35 | D35-V37 PolarHBondContact O-N 3.19Š| ||
| 38 | D | 46.6 | Very low | 48.6 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -107 | 127.5 | 161.5 | -81.5 | -38.2 | 0 | 0 | 0 | 109 | S36 | S36-D38 PolarHBondContact O-N 3.11Š| ||
| 39 | Q | 46.3 | Very low | 48.1 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -156.3 | 151.8 | 170.7 | -164.4 | 170.5 | 26.1 | 0 | 0 | 107.9 | ||||
| 40 | P | 55.2 | Low | 47.8 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | cis | -132.8 | -158.6 | -26.7 | 36 | -14.6 | 0 | 0 | 0 | 112.2 | ||||
| 41 | P | 40.8 | Very low | 47.9 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -145.1 | 152.9 | 79.5 | 36.9 | -16.7 | 0 | 0 | 0 | 118.7 | |||||
| 42 | S | 36 | Very low | 47.9 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 68.8 | 120 | 142.3 | 54.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 43 | D | 35 | Very low | 48.2 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 63.4 | 109.7 | 138.2 | -60.4 | -23.5 | 0 | 0 | 0 | 122 | ||||
| 44 | D | 34.2 | Very low | 48.3 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -178.3 | 141.1 | 90.7 | -149.5 | -8.4 | 0 | 0 | 0 | 113.1 | |||||
| 45 | S | 37.4 | Very low | 48.8 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | 41.5 | 111.7 | 160 | 71.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 46 | S | 42 | Very low | 49.5 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 132.1 | 126.2 | 127.4 | 71.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 47 | P | 46.6 | Very low | 50.4 | Low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -97.7 | 117.6 | 176.1 | 34.3 | -24 | 0 | 0 | 0 | 108.9 | ||||
| 48 | N | 41.3 | Very low | 51.5 | Low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -141.2 | 111.9 | 160.3 | -137.9 | -10.1 | 0 | 0 | 0 | 113.5 | ||||
| 49 | E | 49.4 | Very low | 52.3 | Low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 52.5 | 83.3 | 147.9 | -71.9 | 172.9 | -173.2 | 0 | 0 | 117.1 | A51 | E49-A51 PolarHBondContact O-N 3.19Š| ||
| 50 | K | 55.6 | Low | 53.5 | Low | 201 Ų | 201 | 141.4 Ų | 141.4 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -18.8 | 96.3 | 146.7 | -55.3 | 176.7 | -175.1 | -178.9 | 0 | 111.3 | K52 | K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 2.9Å | ||
| 51 | A | 54.8 | Low | 54.2 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -59.5 | 98.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | E49 K53 | E49-A51 PolarHBondContact O-N 3.19Å; A51-K53 VanDerWaalsContact C-N 3.28Å; A51-K53 PolarHBondContact O-N 3.36Å | ||
| 52 | K | 61.2 | Low | 55.4 | Low | 180 Ų | 180 | 145.2 Ų | 145.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -61.8 | 96.7 | 170.7 | -67.2 | 177 | -176.8 | 176.7 | 0 | 105.5 | K50 D54 | K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 2.9Å; K52-D54 PolarHBondContact O-N 3.37Å | ||
| 53 | K | 65 | Low | 56.9 | Low | 189 Ų | 189 | 151 Ų | 151 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -62.1 | 97.5 | 161.8 | -90.5 | 163.3 | 172.9 | 165.2 | 0 | 104.7 | A51 L55 | A51-K53 VanDerWaalsContact C-N 3.28Å; A51-K53 PolarHBondContact O-N 3.36Å; K53-L55 PolarHBondContact O-N 3.37Å | ||
| 54 | D | 61.3 | Low | 58.5 | Low | 134 Ų | 134 | 154.1 Ų | 154.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -64 | 85.8 | 172.2 | -72.7 | -25.9 | 0 | 0 | 0 | 107.5 | K52 N56 | K52-D54 PolarHBondContact O-N 3.37Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.03Å | ||
| 55 | L | 66.4 | Low | 60.2 | Low | 127 Ų | 127 | 155.3 Ų | 155.3 | 67% | 0.665 | 79% | 0.791 | S | S | * | * | trans | -67.3 | 95.7 | 170 | -68.8 | 171.4 | 0 | 0 | 0 | 106 | K53 F57 | K53-L55 PolarHBondContact O-N 3.37Å; L55-F57 VanDerWaalsContact C-N 3.31Å; L55-F57 HydrophobicContact CB-CD2 4.4Å; L55-F57 HydrophobicContact CB-CE2 3.91Å; L55-F57 HydrophobicContact CB-CZ 4.31Å; L55-F57 VanDerWaalsContact O-CD2 3.22Å; L55-F57 WeakPolarHBondContact O-CD2 3.27Å; L55-F57 PolarHBondContact O-N 3.13Å | ||
| 56 | N | 69.1 | Low | 61.6 | Low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -62.4 | 96.1 | 170 | -93.6 | -79.7 | 0 | 0 | 0 | 108.3 | D54 A58 | D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.03Å; N56-A58 PolarHBondContact O-N 3.16Å; N56-A58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | F | 65.6 | Low | 62.8 | Low | 168 Ų | 168 | 158 Ų | 158 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | trans | -73.7 | 97.8 | 165.8 | -69.2 | -80.4 | 0 | 0 | 0 | 107.4 | L55 F59 | L55-F57 VanDerWaalsContact C-N 3.31Å; L55-F57 HydrophobicContact CB-CD2 4.4Å; L55-F57 HydrophobicContact CB-CE2 3.91Å; L55-F57 HydrophobicContact CB-CZ 4.31Å; L55-F57 VanDerWaalsContact O-CD2 3.22Å; L55-F57 WeakPolarHBondContact O-CD2 3.27Å; L55-F57 PolarHBondContact O-N 3.13Å; F57-F59 PolarHBondContact O-N 2.99Å | ||
| 58 | A | 71.3 | Confident | 63.5 | Low | 86 Ų | 86 | 157.1 Ų | 157.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -64.7 | 117.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | N56 L60 | N56-A58 PolarHBondContact O-N 3.16Å; N56-A58 VanDerWaalsContact O-N 3.12Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 2.84Å | ||
| 59 | F | 64.9 | Low | 64.2 | Low | 204 Ų | 204 | 155.5 Ų | 155.5 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 97.6 | 172 | -78.5 | -87.2 | 0 | 0 | 0 | 108.5 | F57 | F57-F59 PolarHBondContact O-N 2.99Š| ||
| 60 | L | 71.4 | Confident | 64.7 | Low | 152 Ų | 152 | 152.8 Ų | 152.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -63.5 | 137.9 | 165.6 | -78.4 | 144.6 | 0 | 0 | 0 | 107.6 | A58 E62 | A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 2.84Å; L60-E62 PolarHBondContact O-N 3.36Å; L60-E62 VanDerWaalsContact O-N 3.11Å | ||
| 61 | P | 69.6 | Low | 64.7 | Low | 108 Ų | 108 | 150.2 Ų | 150.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -52.6 | 124.8 | 174.2 | 14.8 | -23.4 | 0 | 0 | 0 | 109.1 | R63 | P61-R63 PolarHBondContact O-N 3.11Š| ||
| 62 | E | 65.1 | Low | 64.9 | Low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -58.3 | -12.2 | -176.3 | -170.3 | 177.3 | -178 | 0 | 0 | 113.2 | L60 | L60-E62 PolarHBondContact O-N 3.36Å; L60-E62 VanDerWaalsContact O-N 3.11Å |
| 63 | R | 68 | Low | 64.9 | Low | 220 Ų | 220 | 143.4 Ų | 143.4 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -114.7 | 114.8 | 178.9 | -52.1 | -170.9 | -150 | -146.7 | 5.4 | 109.5 | P61 E65 | P61-R63 PolarHBondContact O-N 3.11Å; R63-E65 PolarHBondContact O-N 2.85Å |
| 64 | Y | 69.3 | Low | 64.7 | Low | 223 Ų | 223 | 139.2 Ų | 139.2 | 88% | 0.875 | 70% | 0.696 | S | S | * | * | trans | -56.9 | 127.9 | 163 | -81.6 | -92.3 | 0 | 0 | 0 | 109.3 | P66 | Y64-P66 VanDerWaalsContact O-CD 3.27Å; Y64-P66 WeakPolarHBondContact O-CD 3.48Å | ||
| 65 | E | 68.4 | Low | 64.8 | Low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | trans | -64.2 | 119.5 | 169.1 | -168.1 | 173.4 | -171.9 | 0 | 0 | 107.7 | R63 L67 | R63-E65 PolarHBondContact O-N 2.85Å; E65-L67 PolarHBondContact O-N 3.02Å | ||
| 66 | P | 67.9 | Low | 64.9 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | trans | -60.6 | 115.8 | 178.9 | -22.4 | 33.7 | 0 | 0 | 0 | 109.1 | Y64 I68 | Y64-P66 VanDerWaalsContact O-CD 3.27Å; Y64-P66 WeakPolarHBondContact O-CD 3.48Å; P66-I68 PolarHBondContact O-N 2.84Å | ||
| 67 | L | 66.6 | Low | 65 | Low | 159 Ų | 159 | 136.6 Ų | 136.6 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | trans | -60.6 | 110.7 | 176.7 | -170.9 | 65.4 | 0 | 0 | 0 | 107.6 | E65 D69 | E65-L67 PolarHBondContact O-N 3.02Å; L67-D69 VanDerWaalsContact C-N 3.27Å; L67-D69 PolarHBondContact O-N 3.33Å | ||
| 68 | I | 60.8 | Low | 65.3 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 56% | 0.559 | 65% | 0.654 | S | S | * | * | trans | -69.8 | 93.2 | 177.7 | -52.7 | 165.6 | 0 | 0 | 0 | 106.2 | P66 D70 A72 | P66-I68 PolarHBondContact O-N 2.84Å; I68-D70 PolarHBondContact O-N 3.22Å; I68-A72 HydrophobicContact CG2-CB 4.4Å | ||
| 69 | D | 57.3 | Low | 65.4 | Low | 102 Ų | 102 | 136.8 Ų | 136.8 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | trans | -50.3 | 132.7 | 174.3 | -104.2 | -32.1 | 0 | 0 | 0 | 109.3 | L67 E71 A72 | L67-D69 VanDerWaalsContact C-N 3.27Å; L67-D69 PolarHBondContact O-N 3.33Å; D69-E71 HydrophobicContact CB-CB 4.37Å; D69-E71 PolarHBondContact O-N 2.99Å; D69-A72 WeakPolarHBondContact O-CB 3.32Å; D69-A72 PolarHBondContact O-N 3.3Å | ||
| 70 | D | 59.3 | Low | 65.9 | Low | 111 Ų | 111 | 134.4 Ų | 134.4 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.3 | -17.7 | 178.9 | -77 | -43.3 | 0 | 0 | 0 | 112 | I68 A72 K73 E74 | I68-D70 PolarHBondContact O-N 3.22Å; D70-A72 VanDerWaalsContact C-N 3.33Å; D70-A72 PolarHBondContact O-N 2.82Å; D70-K73 WeakPolarHBondContact O-CB 3.14Å; D70-K73 PolarHBondContact O-N 3.13Å; D70-K73 IonicContact OD1-NZ 2.84Å; D70-K73 PolarHBondContact OD1-NZ 3.45Å; D70-E74 PolarHBondContact O-N 3.14Å |
| 71 | E | 56.4 | Low | 66.2 | Low | 146 Ų | 146 | 134.5 Ų | 134.5 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.6 | -38.7 | 167.5 | -65.2 | -163.9 | 155.2 | 0 | 0 | 113.1 | D69 K73 E74 E75 | D69-E71 HydrophobicContact CB-CB 4.37Å; D69-E71 PolarHBondContact O-N 2.99Å; E71-K73 VanDerWaalsContact C-N 3.27Å; E71-K73 PolarHBondContact O-N 3.17Å; E71-E74 PolarHBondContact O-N 3.47Å; E71-E74 VanDerWaalsContact O-N 3.14Å; E71-E75 WeakPolarHBondContact O-CB 3.36Å; E71-E75 PolarHBondContact O-N 3.02Å |
| 72 | A | 58.3 | Low | 66.5 | Low | 33 Ų | 33 | 134.3 Ų | 134.3 | 27% | 0.273 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68 | -29.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I68 D69 D70 K76 | I68-A72 HydrophobicContact CG2-CB 4.4Å; D69-A72 WeakPolarHBondContact O-CB 3.32Å; D69-A72 PolarHBondContact O-N 3.3Å; D70-A72 VanDerWaalsContact C-N 3.33Å; D70-A72 PolarHBondContact O-N 2.82Å; A72-K76 WeakPolarHBondContact O-CB 3.48Å; A72-K76 VanDerWaalsContact O-CD 3.32Å; A72-K76 WeakPolarHBondContact O-CD 3.49Å; A72-K76 WeakPolarHBondContact O-CG 3.49Å; A72-K76 PolarHBondContact O-N 2.81Å |
| 73 | K | 60.6 | Low | 67 | Low | 102 Ų | 102 | 129.3 Ų | 129.3 | 44% | 0.443 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75.4 | -35 | 172.5 | -65.2 | 176.4 | -165.3 | 147.4 | 0 | 111 | D70 E71 K77 | D70-K73 WeakPolarHBondContact O-CB 3.14Å; D70-K73 PolarHBondContact O-N 3.13Å; D70-K73 IonicContact OD1-NZ 2.84Å; D70-K73 PolarHBondContact OD1-NZ 3.45Å; E71-K73 VanDerWaalsContact C-N 3.27Å; E71-K73 PolarHBondContact O-N 3.17Å; K73-K77 WeakPolarHBondContact O-CG 3.43Å; K73-K77 PolarHBondContact O-N 3.37Å; K73-K77 VanDerWaalsContact O-N 3.13Å |
| 74 | E | 61.8 | Low | 67.6 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 47% | 0.472 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.6 | -41.3 | 178.3 | -152.7 | -169.8 | 145.9 | 0 | 0 | 112.3 | D70 E71 K76 K77 K78 | D70-E74 PolarHBondContact O-N 3.14Å; E71-E74 PolarHBondContact O-N 3.47Å; E71-E74 VanDerWaalsContact O-N 3.14Å; E74-K76 VanDerWaalsContact C-N 3.35Å; E74-K76 PolarHBondContact O-N 3.23Å; E74-K77 WeakPolarHBondContact O-CB 3.32Å; E74-K77 PolarHBondContact O-N 2.87Å; E74-K77 VanDerWaalsContact O-N 3.14Å; E74-K78 WeakPolarHBondContact O-CG 3.48Å; E74-K78 PolarHBondContact O-N 3.33Å; E74-K78 WeakPolarHBondContact OE1-CE 3.37Å; E74-K78 IonicContact OE1-NZ 2.74Å; E74-K78 PolarHBondContact OE1-NZ 3.15Å |
| 75 | E | 62.9 | Low | 68 | Low | 95 Ų | 95 | 122.3 Ų | 122.3 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.5 | -43.6 | 174.4 | -162.8 | -152.3 | 157.1 | 0 | 0 | 110.8 | E71 K77 K78 R79 | E71-E75 WeakPolarHBondContact O-CB 3.36Å; E71-E75 PolarHBondContact O-N 3.02Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.49Å; E75-K78 PolarHBondContact O-N 2.84Å; E75-R79 WeakPolarHBondContact O-CB 3.45Å; E75-R79 PolarHBondContact O-N 3.36Å; E75-R79 IonicContact OE1-CZ 3.21Å; E75-R79 IonicContact OE1-NE 2.87Å; E75-R79 PolarHBondContact OE1-NE 3.14Å; E75-R79 IonicContact OE1-NH2 2.81Å; E75-R79 PolarHBondContact OE1-NH2 3.19Å |
| 76 | K | 69 | Low | 68.6 | Low | 129 Ų | 129 | 119.6 Ų | 119.6 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.7 | -37.6 | 174.4 | -74.1 | 172.1 | -172.5 | 177.7 | 0 | 112 | A72 E74 K80 | A72-K76 WeakPolarHBondContact O-CB 3.48Å; A72-K76 VanDerWaalsContact O-CD 3.32Å; A72-K76 WeakPolarHBondContact O-CD 3.49Å; A72-K76 WeakPolarHBondContact O-CG 3.49Å; A72-K76 PolarHBondContact O-N 2.81Å; E74-K76 VanDerWaalsContact C-N 3.35Å; E74-K76 PolarHBondContact O-N 3.23Å; K76-K80 WeakPolarHBondContact O-CB 3.49Å; K76-K80 VanDerWaalsContact O-CG 3.22Å; K76-K80 WeakPolarHBondContact O-CG 3.06Å; K76-K80 PolarHBondContact O-N 2.89Å; K76-K80 VanDerWaalsContact O-N 3.09Å |
| 77 | K | 70.8 | Confident | 69.2 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 61% | 0.609 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.5 | -39.3 | 175.3 | -74.4 | 173.4 | -177.6 | 177.1 | 0 | 111.9 | K73 E74 E75 K80 K81 | K73-K77 WeakPolarHBondContact O-CG 3.43Å; K73-K77 PolarHBondContact O-N 3.37Å; K73-K77 VanDerWaalsContact O-N 3.13Å; E74-K77 WeakPolarHBondContact O-CB 3.32Å; E74-K77 PolarHBondContact O-N 2.87Å; E74-K77 VanDerWaalsContact O-N 3.14Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.49Å; K77-K80 PolarHBondContact O-N 2.74Å; K77-K81 WeakPolarHBondContact O-CG 3.22Å; K77-K81 PolarHBondContact O-N 3.09Å; K77-K81 VanDerWaalsContact O-N 3.15Å |
| 78 | K | 72.6 | Confident | 70.1 | Confident | 109 Ų | 109 | 117.3 Ų | 117.3 | 47% | 0.474 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 175.6 | -72.2 | 173.2 | -177.1 | 164.5 | 0 | 111.3 | E74 E75 K80 K81 E82 | E74-K78 WeakPolarHBondContact O-CG 3.48Å; E74-K78 PolarHBondContact O-N 3.33Å; E74-K78 WeakPolarHBondContact OE1-CE 3.37Å; E74-K78 IonicContact OE1-NZ 2.74Å; E74-K78 PolarHBondContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact O-N 2.84Å; K78-K80 VanDerWaalsContact C-N 3.34Å; K78-K80 PolarHBondContact O-N 2.94Å; K78-K81 PolarHBondContact O-N 3.23Å; K78-K81 VanDerWaalsContact O-N 3.12Å; K78-E82 WeakPolarHBondContact O-CG 3.41Å; K78-E82 PolarHBondContact O-N 2.93Å |
| 79 | R | 73.1 | Confident | 71 | Confident | 149 Ų | 149 | 118.6 Ų | 118.6 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.2 | -43.3 | 173.9 | -76.6 | -173.8 | -177.1 | -153 | 2.7 | 112.7 | E75 K81 E82 N83 | E75-R79 WeakPolarHBondContact O-CB 3.45Å; E75-R79 PolarHBondContact O-N 3.36Å; E75-R79 IonicContact OE1-CZ 3.21Å; E75-R79 IonicContact OE1-NE 2.87Å; E75-R79 PolarHBondContact OE1-NE 3.14Å; E75-R79 IonicContact OE1-NH2 2.81Å; E75-R79 PolarHBondContact OE1-NH2 3.19Å; R79-K81 PolarHBondContact O-N 3.44Å; R79-E82 PolarHBondContact O-N 2.98Å; R79-N83 WeakPolarHBondContact O-CB 3.48Å; R79-N83 PolarHBondContact O-N 2.96Å; R79-N83 PolarHBondContact O-ND2 2.86Å |
| 80 | K | 73.8 | Confident | 72.2 | Confident | 154 Ų | 154 | 118.7 Ų | 118.7 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 176.5 | -75.6 | 174.7 | -177.3 | -171.1 | 0 | 112.4 | K76 K77 K78 N83 Y84 | K76-K80 WeakPolarHBondContact O-CB 3.49Å; K76-K80 VanDerWaalsContact O-CG 3.22Å; K76-K80 WeakPolarHBondContact O-CG 3.06Å; K76-K80 PolarHBondContact O-N 2.89Å; K76-K80 VanDerWaalsContact O-N 3.09Å; K77-K80 PolarHBondContact O-N 2.74Å; K78-K80 VanDerWaalsContact C-N 3.34Å; K78-K80 PolarHBondContact O-N 2.94Å; K80-N83 PolarHBondContact O-N 2.93Å; K80-Y84 WeakPolarHBondContact O-CB 3.4Å; K80-Y84 PolarHBondContact O-N 3.03Å |
| 81 | K | 77.6 | Confident | 73.6 | Confident | 154 Ų | 154 | 117.3 Ų | 117.3 | 67% | 0.67 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66 | -39 | 177.5 | -71.3 | 174.7 | -179.3 | -178.4 | 0 | 112.1 | K77 K78 R79 Y84 K85 | K77-K81 WeakPolarHBondContact O-CG 3.22Å; K77-K81 PolarHBondContact O-N 3.09Å; K77-K81 VanDerWaalsContact O-N 3.15Å; K78-K81 PolarHBondContact O-N 3.23Å; K78-K81 VanDerWaalsContact O-N 3.12Å; R79-K81 PolarHBondContact O-N 3.44Å; K81-Y84 PolarHBondContact O-N 3.2Å; K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 3.45Å |
| 82 | E | 77.5 | Confident | 75.1 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 176.2 | -71.9 | 175.2 | -164.5 | 0 | 0 | 112.2 | K78 R79 Y84 K85 K86 | K78-E82 WeakPolarHBondContact O-CG 3.41Å; K78-E82 PolarHBondContact O-N 2.93Å; R79-E82 PolarHBondContact O-N 2.98Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 3.47Å; E82-K85 WeakPolarHBondContact O-CB 3.5Å; E82-K85 PolarHBondContact O-N 3.36Å; E82-K85 VanDerWaalsContact O-N 3.15Å; E82-K86 VanDerWaalsContact O-CG 3.3Å; E82-K86 WeakPolarHBondContact O-CG 3.48Å; E82-K86 PolarHBondContact O-N 3.5Å |
| 83 | N | 75.3 | Confident | 76.4 | Confident | 87 Ų | 87 | 117.2 Ų | 117.2 | 47% | 0.465 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 175 | -70.5 | -22.1 | 0 | 0 | 0 | 111.2 | R79 K80 K85 K86 V87 | R79-N83 WeakPolarHBondContact O-CB 3.48Å; R79-N83 PolarHBondContact O-N 2.96Å; R79-N83 PolarHBondContact O-ND2 2.86Å; K80-N83 PolarHBondContact O-N 2.93Å; N83-K85 VanDerWaalsContact C-N 3.34Å; N83-K85 PolarHBondContact O-N 3.49Å; N83-K86 WeakPolarHBondContact O-CB 3.46Å; N83-K86 PolarHBondContact O-N 3.12Å; N83-V87 WeakPolarHBondContact O-CG2 3.49Å; N83-V87 PolarHBondContact O-N 2.88Å |
| 84 | Y | 79.3 | Confident | 77.8 | Confident | 160 Ų | 160 | 114.9 Ų | 114.9 | 63% | 0.627 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 173 | -178.3 | -106.2 | 0 | 0 | 0 | 112.2 | K80 K81 E82 K86 V87 K88 | K80-Y84 WeakPolarHBondContact O-CB 3.4Å; K80-Y84 PolarHBondContact O-N 3.03Å; K81-Y84 PolarHBondContact O-N 3.2Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 3.47Å; Y84-K86 VanDerWaalsContact C-N 3.31Å; Y84-K86 PolarHBondContact O-N 3.42Å; Y84-V87 PolarHBondContact O-N 3.15Å; Y84-K88 HydrophobicContact CE1-CD 4.13Å; Y84-K88 VanDerWaalsContact O-CB 3.22Å; Y84-K88 WeakPolarHBondContact O-CB 3.22Å; Y84-K88 PolarHBondContact O-N 3.16Å |
| 85 | K | 79.4 | Confident | 79.3 | Confident | 135 Ų | 135 | 115.2 Ų | 115.2 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.7 | -35.1 | 177.4 | -163.9 | 174.3 | -175.8 | 178.7 | 0 | 112 | K81 E82 N83 K89 | K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 3.45Å; E82-K85 WeakPolarHBondContact O-CB 3.5Å; E82-K85 PolarHBondContact O-N 3.36Å; E82-K85 VanDerWaalsContact O-N 3.15Å; N83-K85 VanDerWaalsContact C-N 3.34Å; N83-K85 PolarHBondContact O-N 3.49Å; K85-K89 VanDerWaalsContact O-CG 3.24Å; K85-K89 WeakPolarHBondContact O-CG 3.32Å; K85-K89 PolarHBondContact O-N 3.35Å |
| 86 | K | 81.2 | Confident | 80.6 | Confident | 122 Ų | 122 | 120.1 Ų | 120.1 | 53% | 0.53 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -47.8 | 174.3 | -70.9 | 169.8 | -174.3 | 174.8 | 0 | 111.3 | E82 N83 Y84 K89 N90 | E82-K86 VanDerWaalsContact O-CG 3.3Å; E82-K86 WeakPolarHBondContact O-CG 3.48Å; E82-K86 PolarHBondContact O-N 3.5Å; N83-K86 WeakPolarHBondContact O-CB 3.46Å; N83-K86 PolarHBondContact O-N 3.12Å; Y84-K86 VanDerWaalsContact C-N 3.31Å; Y84-K86 PolarHBondContact O-N 3.42Å; K86-K89 PolarHBondContact O-N 2.86Å; K86-N90 PolarHBondContact O-ND2 2.74Å |
| 87 | V | 79.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 118.4 Ų | 118.4 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -46.7 | -179.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | N83 Y84 K89 N90 V91 | N83-V87 WeakPolarHBondContact O-CG2 3.49Å; N83-V87 PolarHBondContact O-N 2.88Å; Y84-V87 PolarHBondContact O-N 3.15Å; V87-K89 VanDerWaalsContact C-N 3.26Å; V87-K89 PolarHBondContact O-N 3.47Å; V87-N90 PolarHBondContact O-N 2.85Å; V87-V91 HydrophobicContact CG1-CG2 3.66Å; V87-V91 WeakPolarHBondContact O-CB 3.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.36Å; V87-V91 PolarHBondContact O-N 3.38Å |
| 88 | K | 84.5 | Confident | 82.5 | Confident | 134 Ų | 134 | 115.2 Ų | 115.2 | 58% | 0.583 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -55.9 | -38.5 | 179.3 | -176.6 | 178 | 178.5 | -179.6 | 0 | 113 | Y84 N90 G92 | Y84-K88 HydrophobicContact CE1-CD 4.13Å; Y84-K88 VanDerWaalsContact O-CB 3.22Å; Y84-K88 WeakPolarHBondContact O-CB 3.22Å; Y84-K88 PolarHBondContact O-N 3.16Å; K88-N90 VanDerWaalsContact C-N 3.33Å; K88-N90 PolarHBondContact O-N 3.07Å; K88-G92 PolarHBondContact O-N 3.26Å |
| 89 | K | 79.9 | Confident | 83.6 | Confident | 136 Ų | 136 | 117.8 Ų | 117.8 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -32.7 | 178.7 | -77.2 | 176.7 | 176.6 | -170.2 | 0 | 113 | K85 K86 V87 | K85-K89 VanDerWaalsContact O-CG 3.24Å; K85-K89 WeakPolarHBondContact O-CG 3.32Å; K85-K89 PolarHBondContact O-N 3.35Å; K86-K89 PolarHBondContact O-N 2.86Å; V87-K89 VanDerWaalsContact C-N 3.26Å; V87-K89 PolarHBondContact O-N 3.47Å |
| 90 | N | 82.1 | Confident | 84.4 | Confident | 104 Ų | 104 | 118.2 Ų | 118.2 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -87.4 | -41.6 | -180 | -69.4 | -63.2 | 0 | 0 | 0 | 111.7 | K86 V87 K88 G92 K93 A94 | K86-N90 PolarHBondContact O-ND2 2.74Å; V87-N90 PolarHBondContact O-N 2.85Å; K88-N90 VanDerWaalsContact C-N 3.33Å; K88-N90 PolarHBondContact O-N 3.07Å; N90-G92 VanDerWaalsContact C-N 3.31Å; N90-G92 PolarHBondContact O-N 2.9Å; N90-K93 WeakPolarHBondContact O-CB 3.24Å; N90-K93 PolarHBondContact O-N 3.46Å; N90-K93 VanDerWaalsContact O-N 3.1Å; N90-A94 PolarHBondContact O-N 3.06Å |
| 91 | V | 89.6 | Confident | 85.1 | Confident | 81 Ų | 81 | 115.2 Ų | 115.2 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.6 | -39.9 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | V87 K93 A94 L95 | V87-V91 HydrophobicContact CG1-CG2 3.66Å; V87-V91 WeakPolarHBondContact O-CB 3.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.36Å; V87-V91 PolarHBondContact O-N 3.38Å; V91-K93 VanDerWaalsContact C-N 3.25Å; V91-K93 PolarHBondContact O-N 3.46Å; V91-A94 PolarHBondContact O-N 3.32Å; V91-L95 WeakPolarHBondContact O-CB 3.39Å; V91-L95 PolarHBondContact O-N 3.04Å |
| 92 | G | 88.5 | Confident | 86 | Confident | 31 Ų | 31 | 113 Ų | 113 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62 | -31.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K88 N90 R96 | K88-G92 PolarHBondContact O-N 3.26Å; N90-G92 VanDerWaalsContact C-N 3.31Å; N90-G92 PolarHBondContact O-N 2.9Å; G92-R96 VanDerWaalsContact O-CG 3.25Å; G92-R96 WeakPolarHBondContact O-CG 3.5Å; G92-R96 PolarHBondContact O-N 2.89Å |
| 93 | K | 85.1 | Confident | 86.8 | Confident | 146 Ų | 146 | 112.9 Ų | 112.9 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.3 | -48.5 | 175.6 | -68.5 | 178.3 | 178.8 | -177.8 | 0 | 110.9 | N90 V91 L95 R96 T97 | N90-K93 WeakPolarHBondContact O-CB 3.24Å; N90-K93 PolarHBondContact O-N 3.46Å; N90-K93 VanDerWaalsContact O-N 3.1Å; V91-K93 VanDerWaalsContact C-N 3.25Å; V91-K93 PolarHBondContact O-N 3.46Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.47Å; K93-R96 PolarHBondContact O-N 2.79Å; K93-T97 PolarHBondContact O-N 3.37Å; K93-T97 PolarHBondContact O-OG1 3.28Å |
| 94 | A | 90.5 | Very high | 87.7 | Confident | 53 Ų | 53 | 113.9 Ų | 113.9 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | N90 V91 R96 T97 T98 | N90-A94 PolarHBondContact O-N 3.06Å; V91-A94 PolarHBondContact O-N 3.32Å; A94-R96 VanDerWaalsContact C-N 3.35Å; A94-R96 PolarHBondContact O-N 3.1Å; A94-T97 WeakPolarHBondContact CA-OG1 3.37Å; A94-T97 PolarHBondContact O-N 3.29Å; A94-T97 PolarHBondContact O-OG1 3.39Å; A94-T98 WeakPolarHBondContact O-CG2 3.17Å; A94-T98 PolarHBondContact O-N 3.48Å; A94-T98 PolarHBondContact O-OG1 3.49Å |
| 95 | L | 92.9 | Very high | 88.4 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | 178.5 | -172.9 | 66.7 | 0 | 0 | 0 | 112 | V91 K93 T97 T98 W99 | V91-L95 WeakPolarHBondContact O-CB 3.39Å; V91-L95 PolarHBondContact O-N 3.04Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.47Å; L95-T97 VanDerWaalsContact C-N 3.34Å; L95-T98 WeakPolarHBondContact CA-OG1 3.37Å; L95-T98 PolarHBondContact O-OG1 3.37Å; L95-T98 VanDerWaalsContact O-OG1 3.07Å; L95-W99 WeakPolarHBondContact O-CB 3.45Å; L95-W99 PolarHBondContact O-N 3.19Å |
| 96 | R | 90.1 | Very high | 89.1 | Confident | 198 Ų | 198 | 107 Ų | 107 | 75% | 0.747 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.6 | -36.9 | 176 | -76.7 | 175.8 | -173.3 | -156 | 1.4 | 111.9 | G92 K93 A94 K100 | G92-R96 VanDerWaalsContact O-CG 3.25Å; G92-R96 WeakPolarHBondContact O-CG 3.5Å; G92-R96 PolarHBondContact O-N 2.89Å; K93-R96 PolarHBondContact O-N 2.79Å; A94-R96 VanDerWaalsContact C-N 3.35Å; A94-R96 PolarHBondContact O-N 3.1Å; R96-K100 PolarHBondContact O-N 3.28Å |
| 97 | T | 86.9 | Confident | 89.6 | Confident | 93 Ų | 93 | 108 Ų | 108 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.3 | -42.2 | 176.7 | 46.7 | 0 | 0 | 0 | 0 | 111.8 | K93 A94 L95 W99 K100 C101 | K93-T97 PolarHBondContact O-N 3.37Å; K93-T97 PolarHBondContact O-OG1 3.28Å; A94-T97 WeakPolarHBondContact CA-OG1 3.37Å; A94-T97 PolarHBondContact O-N 3.29Å; A94-T97 PolarHBondContact O-OG1 3.39Å; L95-T97 VanDerWaalsContact C-N 3.34Å; T97-W99 VanDerWaalsContact C-N 3.34Å; T97-W99 PolarHBondContact O-N 3.26Å; T97-K100 PolarHBondContact O-N 3.21Å; T97-C101 PolarHBondContact O-N 3.42Å |
| 98 | T | 92.6 | Very high | 90 | Very high | 72 Ų | 72 | 108.1 Ų | 108.1 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 176 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | A94 L95 K100 C101 L102 | A94-T98 WeakPolarHBondContact O-CG2 3.17Å; A94-T98 PolarHBondContact O-N 3.48Å; A94-T98 PolarHBondContact O-OG1 3.49Å; L95-T98 WeakPolarHBondContact CA-OG1 3.37Å; L95-T98 PolarHBondContact O-OG1 3.37Å; L95-T98 VanDerWaalsContact O-OG1 3.07Å; T98-K100 PolarHBondContact O-N 2.88Å; T98-C101 PolarHBondContact O-N 3.5Å; T98-L102 WeakPolarHBondContact O-CB 3.45Å; T98-L102 PolarHBondContact O-N 3.25Å |
| 99 | W | 95 | Very high | 90.2 | Very high | 163 Ų | 163 | 107.2 Ų | 107.2 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 174.5 | -175.4 | -101.3 | 0 | 0 | 0 | 112.6 | L95 T97 L102 M103 | L95-W99 WeakPolarHBondContact O-CB 3.45Å; L95-W99 PolarHBondContact O-N 3.19Å; T97-W99 VanDerWaalsContact C-N 3.34Å; T97-W99 PolarHBondContact O-N 3.26Å; W99-L102 PolarHBondContact O-N 3.42Å; W99-M103 HydrophobicContact CZ2-CG 4.39Å; W99-M103 HydrophobicContact CZ2-SD 4.12Å; W99-M103 WeakPolarHBondContact O-CB 3.26Å; W99-M103 WeakPolarHBondContact O-CG 3.46Å; W99-M103 PolarHBondContact O-N 2.87Å |
| 100 | K | 90.8 | Very high | 90.6 | Very high | 159 Ų | 159 | 103.3 Ų | 103.3 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 175.8 | -74.5 | -177.6 | 175.2 | -173.7 | 0 | 112.1 | R96 T97 T98 L104 | R96-K100 PolarHBondContact O-N 3.28Å; T97-K100 PolarHBondContact O-N 3.21Å; T98-K100 PolarHBondContact O-N 2.88Å; K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 PolarHBondContact O-N 3.48Å |
| 101 | C | 89 | Confident | 90.6 | Very high | 91 Ų | 91 | 101.5 Ų | 101.5 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | T97 T98 L104 G105 | T97-C101 PolarHBondContact O-N 3.42Å; T98-C101 PolarHBondContact O-N 3.5Å; C101-L104 PolarHBondContact O-N 2.86Å; C101-G105 PolarHBondContact O-N 3.42Å |
| 102 | L | 95.4 | Very high | 90.2 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.1 | -50.3 | 175.2 | -102.2 | 164.7 | 0 | 0 | 0 | 112.1 | T98 W99 L104 G105 L106 | T98-L102 WeakPolarHBondContact O-CB 3.45Å; T98-L102 PolarHBondContact O-N 3.25Å; W99-L102 PolarHBondContact O-N 3.42Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 2.94Å; L102-G105 PolarHBondContact O-N 3.39Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.49Å |
| 103 | M | 94.2 | Very high | 89.9 | Confident | 100 Ų | 100 | 106.5 Ų | 106.5 | 49% | 0.493 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 179.2 | -73.5 | -64.6 | -65.3 | 0 | 0 | 112.2 | W99 L106 Y107 | W99-M103 HydrophobicContact CZ2-CG 4.39Å; W99-M103 HydrophobicContact CZ2-SD 4.12Å; W99-M103 WeakPolarHBondContact O-CB 3.26Å; W99-M103 WeakPolarHBondContact O-CG 3.46Å; W99-M103 PolarHBondContact O-N 2.87Å; M103-L106 PolarHBondContact O-N 2.77Å; M103-Y107 WeakPolarHBondContact O-CB 3.25Å; M103-Y107 PolarHBondContact O-N 2.91Å |
| 104 | L | 95.2 | Very high | 89.4 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | 176.8 | -172.9 | 62.3 | 0 | 0 | 0 | 111.4 | K100 C101 L102 Y107 N108 | K100-L104 WeakPolarHBondContact O-CB 3.49Å; K100-L104 PolarHBondContact O-N 3.48Å; C101-L104 PolarHBondContact O-N 2.86Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 2.94Å; L104-Y107 PolarHBondContact O-N 3.22Å; L104-N108 PolarHBondContact O-N 3.23Å; L104-N108 PolarHBondContact O-ND2 2.88Å |
| 105 | G | 93.9 | Very high | 88 | Confident | 42 Ų | 42 | 104.8 Ų | 104.8 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | C101 L102 Y107 N108 F109 | C101-G105 PolarHBondContact O-N 3.42Å; L102-G105 PolarHBondContact O-N 3.39Å; G105-Y107 PolarHBondContact O-N 3.33Å; G105-N108 PolarHBondContact O-N 2.87Å; G105-F109 VanDerWaalsContact O-CB 3.26Å; G105-F109 WeakPolarHBondContact O-CB 3.24Å; G105-F109 PolarHBondContact O-N 3.3Å |
| 106 | L | 93.7 | Very high | 86.4 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 177.7 | -130.4 | 76.5 | 0 | 0 | 0 | 112.5 | L102 M103 F109 A110 | L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.49Å; M103-L106 PolarHBondContact O-N 2.77Å; L106-F109 PolarHBondContact O-N 3.4Å; L106-A110 VanDerWaalsContact O-CB 3.27Å; L106-A110 WeakPolarHBondContact O-CB 3.2Å; L106-A110 PolarHBondContact O-N 2.87Å |
| 107 | Y | 91.3 | Very high | 84.8 | Confident | 144 Ų | 144 | 99.7 Ų | 99.7 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 175.8 | 174.5 | -106.5 | 0 | 0 | 0 | 111.8 | M103 L104 G105 F109 A110 L111 | M103-Y107 WeakPolarHBondContact O-CB 3.25Å; M103-Y107 PolarHBondContact O-N 2.91Å; L104-Y107 PolarHBondContact O-N 3.22Å; G105-Y107 PolarHBondContact O-N 3.33Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 3.49Å; Y107-A110 PolarHBondContact O-N 3.35Å; Y107-L111 HydrophobicContact CD1-CD1 3.85Å; Y107-L111 HydrophobicContact CE1-CD1 3.3Å; Y107-L111 HydrophobicContact CE1-CG 4.26Å; Y107-L111 HydrophobicContact CE2-CD1 4.08Å; Y107-L111 HydrophobicContact CE2-CG 4.21Å; Y107-L111 HydrophobicContact CG-CD1 4.46Å; Y107-L111 VanDerWaalsContact CZ-CD1 3.43Å; Y107-L111 WeakPolarHBondContact O-CB 3.35Å; Y107-L111 WeakPolarHBondContact O-CG 3.16Å; Y107-L111 PolarHBondContact O-N 3.48Å |
| 108 | N | 88.4 | Confident | 83.4 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 176.6 | -75.4 | -78.1 | 0 | 0 | 0 | 111.8 | L104 G105 L111 A112 | L104-N108 PolarHBondContact O-N 3.23Å; L104-N108 PolarHBondContact O-ND2 2.88Å; G105-N108 PolarHBondContact O-N 2.87Å; N108-L111 PolarHBondContact O-N 3.45Å; N108-A112 VanDerWaalsContact O-CB 3.24Å; N108-A112 WeakPolarHBondContact O-CB 3.13Å; N108-A112 PolarHBondContact O-N 2.78Å |
| 109 | F | 88.6 | Confident | 81.7 | Confident | 116 Ų | 116 | 97.2 Ų | 97.2 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -49.7 | 173.3 | 178.5 | -96.2 | 0 | 0 | 0 | 111.3 | G105 L106 Y107 L111 A112 Y113 | G105-F109 VanDerWaalsContact O-CB 3.26Å; G105-F109 WeakPolarHBondContact O-CB 3.24Å; G105-F109 PolarHBondContact O-N 3.3Å; L106-F109 PolarHBondContact O-N 3.4Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 3.49Å; F109-L111 VanDerWaalsContact C-N 3.32Å; F109-L111 PolarHBondContact O-N 3.04Å; F109-A112 PolarHBondContact O-N 2.63Å; F109-Y113 HydrophobicContact CD1-CD2 4.37Å; F109-Y113 AromaticContact CD2-CD2 3.6Å; F109-Y113 HydrophobicContact CD2-CD2 3.6Å; F109-Y113 AromaticContact CD2-CE2 3.53Å; F109-Y113 HydrophobicContact CD2-CE2 3.53Å; F109-Y113 HydrophobicContact CE1-CD2 4.18Å; F109-Y113 AromaticContact CE2-CD2 3.38Å; F109-Y113 HydrophobicContact CE2-CD2 3.38Å; F109-Y113 AromaticContact CE2-CE2 3.09Å; F109-Y113 HydrophobicContact CE2-CE2 3.09Å; F109-Y113 HydrophobicContact CE2-CG 4.31Å; F109-Y113 AromaticContact CE2-CZ 3.82Å; F109-Y113 HydrophobicContact CG-CD2 4.1Å; F109-Y113 HydrophobicContact CG-CE2 4.46Å; F109-Y113 AromaticContact CZ-CD2 3.69Å; F109-Y113 HydrophobicContact CZ-CD2 3.69Å; F109-Y113 AromaticContact CZ-CE2 3.72Å; F109-Y113 HydrophobicContact CZ-CE2 3.72Å; F109-Y113 HydrophobicContact CZ-CG 4.19Å; F109-Y113 WeakPolarHBondContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CD2 3.42Å; F109-Y113 PolarHBondContact O-N 3.38Å |
| 110 | A | 88 | Confident | 79.9 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L106 Y107 S114 | L106-A110 VanDerWaalsContact O-CB 3.27Å; L106-A110 WeakPolarHBondContact O-CB 3.2Å; L106-A110 PolarHBondContact O-N 2.87Å; Y107-A110 PolarHBondContact O-N 3.35Å; A110-S114 WeakPolarHBondContact O-CA 3.45Å; A110-S114 WeakPolarHBondContact O-CB 3.27Å; A110-S114 PolarHBondContact O-N 3.45Å; A110-S114 PolarHBondContact O-OG 2.81Å |
| 111 | L | 83.2 | Confident | 78.3 | Confident | 66 Ų | 66 | 88.4 Ų | 88.4 | 35% | 0.346 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -53.2 | 172 | -79.6 | 172.6 | 0 | 0 | 0 | 111.5 | Y107 N108 F109 Y113 S114 T115 | Y107-L111 HydrophobicContact CD1-CD1 3.85Å; Y107-L111 HydrophobicContact CE1-CD1 3.3Å; Y107-L111 HydrophobicContact CE1-CG 4.26Å; Y107-L111 HydrophobicContact CE2-CD1 4.08Å; Y107-L111 HydrophobicContact CE2-CG 4.21Å; Y107-L111 HydrophobicContact CG-CD1 4.46Å; Y107-L111 VanDerWaalsContact CZ-CD1 3.43Å; Y107-L111 WeakPolarHBondContact O-CB 3.35Å; Y107-L111 WeakPolarHBondContact O-CG 3.16Å; Y107-L111 PolarHBondContact O-N 3.48Å; N108-L111 PolarHBondContact O-N 3.45Å; F109-L111 VanDerWaalsContact C-N 3.32Å; F109-L111 PolarHBondContact O-N 3.04Å; L111-Y113 PolarHBondContact O-N 3.14Å; L111-S114 PolarHBondContact O-N 3.38Å; L111-S114 PolarHBondContact O-OG 2.91Å; L111-T115 PolarHBondContact O-N 3Å; L111-T115 VanDerWaalsContact O-N 3.07Å; L111-T115 PolarHBondContact O-OG1 3.35Å |
| 112 | A | 81.3 | Confident | 76.8 | Confident | 58 Ų | 58 | 89.4 Ų | 89.4 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -25 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N108 F109 P116 | N108-A112 VanDerWaalsContact O-CB 3.24Å; N108-A112 WeakPolarHBondContact O-CB 3.13Å; N108-A112 PolarHBondContact O-N 2.78Å; F109-A112 PolarHBondContact O-N 2.63Å; A112-P116 WeakPolarHBondContact O-CD 3.06Å; A112-P116 WeakPolarHBondContact O-CG 3.38Å |
| 113 | Y | 82.4 | Confident | 75 | Confident | 160 Ų | 160 | 91.9 Ų | 91.9 | 63% | 0.627 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -101.4 | -17.2 | 177.5 | -81.7 | -91.1 | 0 | 0 | 0 | 114.4 | F109 L111 P116 | F109-Y113 HydrophobicContact CD1-CD2 4.37Å; F109-Y113 AromaticContact CD2-CD2 3.6Å; F109-Y113 HydrophobicContact CD2-CD2 3.6Å; F109-Y113 AromaticContact CD2-CE2 3.53Å; F109-Y113 HydrophobicContact CD2-CE2 3.53Å; F109-Y113 HydrophobicContact CE1-CD2 4.18Å; F109-Y113 AromaticContact CE2-CD2 3.38Å; F109-Y113 HydrophobicContact CE2-CD2 3.38Å; F109-Y113 AromaticContact CE2-CE2 3.09Å; F109-Y113 HydrophobicContact CE2-CE2 3.09Å; F109-Y113 HydrophobicContact CE2-CG 4.31Å; F109-Y113 AromaticContact CE2-CZ 3.82Å; F109-Y113 HydrophobicContact CG-CD2 4.1Å; F109-Y113 HydrophobicContact CG-CE2 4.46Å; F109-Y113 AromaticContact CZ-CD2 3.69Å; F109-Y113 HydrophobicContact CZ-CD2 3.69Å; F109-Y113 AromaticContact CZ-CE2 3.72Å; F109-Y113 HydrophobicContact CZ-CE2 3.72Å; F109-Y113 HydrophobicContact CZ-CG 4.19Å; F109-Y113 WeakPolarHBondContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CD2 3.42Å; F109-Y113 PolarHBondContact O-N 3.38Å; L111-Y113 PolarHBondContact O-N 3.14Å; Y113-P116 VanDerWaalsContact O-CD 3.24Å; Y113-P116 WeakPolarHBondContact O-CD 3.47Å |
| 114 | S | 73.5 | Confident | 73.3 | Confident | 81 Ų | 81 | 92.2 Ų | 92.2 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -85.1 | -30.9 | 173.8 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | A110 L111 P116 | A110-S114 WeakPolarHBondContact O-CA 3.45Å; A110-S114 WeakPolarHBondContact O-CB 3.27Å; A110-S114 PolarHBondContact O-N 3.45Å; A110-S114 PolarHBondContact O-OG 2.81Å; L111-S114 PolarHBondContact O-N 3.38Å; L111-S114 PolarHBondContact O-OG 2.91Å; S114-P116 VanDerWaalsContact C-CD 3.42Å |
| 115 | T | 61.6 | Low | 71.9 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -102.7 | 4.5 | -178.3 | 64.7 | 0 | 0 | 0 | 0 | 117.9 | L111 A119 | L111-T115 PolarHBondContact O-N 3Å; L111-T115 VanDerWaalsContact O-N 3.07Å; L111-T115 PolarHBondContact O-OG1 3.35Å; T115-A119 PolarHBondContact O-N 3.44Å |
| 116 | P | 60.2 | Low | 70.2 | Confident | 60 Ų | 60 | 96.7 Ų | 96.7 | 39% | 0.39 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -85.5 | -22.9 | 178.9 | 36.1 | -33.8 | 0 | 0 | 0 | 112.7 | A112 Y113 S114 A120 | A112-P116 WeakPolarHBondContact O-CD 3.06Å; A112-P116 WeakPolarHBondContact O-CG 3.38Å; Y113-P116 VanDerWaalsContact O-CD 3.24Å; Y113-P116 WeakPolarHBondContact O-CD 3.47Å; S114-P116 VanDerWaalsContact C-CD 3.42Å; P116-A120 WeakPolarHBondContact O-CB 3.37Å; P116-A120 PolarHBondContact O-N 3.26Å; P116-A120 VanDerWaalsContact O-N 3.13Å |
| 117 | I | 56.4 | Low | 68.7 | Low | 139 Ų | 139 | 100.3 Ų | 100.3 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.2 | -33.6 | 175.2 | -62.4 | 174.9 | 0 | 0 | 0 | 110.5 | A121 | I117-A121 WeakPolarHBondContact O-CB 3.07Å; I117-A121 PolarHBondContact O-N 3.23Å; I117-A121 VanDerWaalsContact O-N 3.14Å |
| 118 | A | 56.2 | Low | 67.4 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.9 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A121 T122 | A118-A121 PolarHBondContact O-N 3.29Å; A118-T122 PolarHBondContact O-N 2.98Å |
| 119 | A | 57.7 | Low | 66 | Low | 49 Ų | 49 | 102.1 Ų | 102.1 | 41% | 0.405 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.6 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T115 A121 T122 F123 | T115-A119 PolarHBondContact O-N 3.44Å; A119-A121 VanDerWaalsContact C-N 3.32Å; A119-A121 PolarHBondContact O-N 3.07Å; A119-T122 PolarHBondContact O-N 3.13Å; A119-T122 PolarHBondContact O-OG1 2.78Å; A119-F123 WeakPolarHBondContact O-CD2 3.06Å; A119-F123 WeakPolarHBondContact O-CE2 3.35Å |
| 120 | A | 56 | Low | 64.4 | Low | 64 Ų | 64 | 101.2 Ų | 101.2 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -35.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P116 T122 F123 | P116-A120 WeakPolarHBondContact O-CB 3.37Å; P116-A120 PolarHBondContact O-N 3.26Å; P116-A120 VanDerWaalsContact O-N 3.13Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 3.45Å; A120-F123 PolarHBondContact O-N 2.86Å |
| 121 | A | 57.5 | Low | 63 | Low | 74 Ų | 74 | 109.9 Ų | 109.9 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.5 | -18.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | I117 A118 A119 | I117-A121 WeakPolarHBondContact O-CB 3.07Å; I117-A121 PolarHBondContact O-N 3.23Å; I117-A121 VanDerWaalsContact O-N 3.14Å; A118-A121 PolarHBondContact O-N 3.29Å; A119-A121 VanDerWaalsContact C-N 3.32Å; A119-A121 PolarHBondContact O-N 3.07Å |
| 122 | T | 57.2 | Low | 61.8 | Low | 111 Ų | 111 | 113.2 Ų | 113.2 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -85.3 | -10.4 | 174.3 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | A118 A119 A120 V124 | A118-T122 PolarHBondContact O-N 2.98Å; A119-T122 PolarHBondContact O-N 3.13Å; A119-T122 PolarHBondContact O-OG1 2.78Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 3.45Å; T122-V124 PolarHBondContact O-N 2.9Å |
| 123 | F | 57.5 | Low | 60.7 | Low | 160 Ų | 160 | 122.3 Ų | 122.3 | 70% | 0.702 | 66% | 0.658 | S | S | * | * | trans | -81.4 | 77.2 | 164.3 | -64 | -77.1 | 0 | 0 | 0 | 108.1 | A119 A120 P125 | A119-F123 WeakPolarHBondContact O-CD2 3.06Å; A119-F123 WeakPolarHBondContact O-CE2 3.35Å; A120-F123 PolarHBondContact O-N 2.86Å; F123-P125 WeakPolarHBondContact O-CD 3.43Å | ||
| 124 | V | 59.6 | Low | 59.6 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 65% | 0.648 | 69% | 0.69 | S | S | * | * | trans | -72.4 | 107.5 | 154.5 | 174.2 | 0 | 0 | 0 | 0 | 104.9 | T122 D126 | T122-V124 PolarHBondContact O-N 2.9Å; V124-D126 PolarHBondContact O-N 2.94Å | ||
| 125 | P | 65.1 | Low | 58.9 | Low | 97 Ų | 97 | 127 Ų | 127 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | trans | -63.5 | 110.5 | 166.4 | 26 | -30.4 | 0 | 0 | 0 | 106.2 | F123 F127 | F123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-F127 PolarHBondContact O-N 2.72Å | ||
| 126 | D | 58 | Low | 58.7 | Low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -61.5 | 85 | 165.6 | -83.8 | -30.7 | 0 | 0 | 0 | 107.4 | V124 H128 | V124-D126 PolarHBondContact O-N 2.94Å; D126-H128 PolarHBondContact O-N 3Å | ||
| 127 | F | 62.9 | Low | 58.6 | Low | 184 Ų | 184 | 133.2 Ų | 133.2 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | -70.9 | 90.7 | 167.4 | -120.5 | -90.9 | 0 | 0 | 0 | 105.6 | P125 P129 | P125-F127 PolarHBondContact O-N 2.72Å; F127-P129 WeakPolarHBondContact O-CD 2.99Å | ||
| 128 | H | 63.7 | Low | 58.8 | Low | 168 Ų | 168 | 132.9 Ų | 132.9 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | -75.8 | 104.8 | 164.4 | -129.3 | -69.1 | 0 | 0 | 0 | 106.1 | D126 S130 | D126-H128 PolarHBondContact O-N 3Å; H128-S130 PolarHBondContact O-N 3.05Å | ||
| 129 | P | 58.6 | Low | 58.9 | Low | 104 Ų | 104 | 137.2 Ų | 137.2 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | -62.3 | 107.5 | 165.5 | 26.7 | -32.2 | 0 | 0 | 0 | 105.7 | F127 R131 | F127-P129 WeakPolarHBondContact O-CD 2.99Å; P129-R131 PolarHBondContact O-N 3.34Å | ||
| 130 | S | 56.2 | Low | 59 | Low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -56.3 | 98.1 | 164.2 | -179.8 | 0 | 0 | 0 | 0 | 105.6 | H128 D132 | H128-S130 PolarHBondContact O-N 3.05Å; S130-D132 VanDerWaalsContact C-N 3.27Å; S130-D132 PolarHBondContact O-N 3.38Å | ||
| 131 | R | 58.7 | Low | 59.2 | Low | 234 Ų | 234 | 148.7 Ų | 148.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -76 | 94 | 177.4 | -151.8 | 173.3 | 80.8 | 165.5 | 6.3 | 105.1 | P129 R133 | P129-R131 PolarHBondContact O-N 3.34Å; R131-R133 PolarHBondContact O-N 3.29Å | ||
| 132 | D | 57.9 | Low | 59.3 | Low | 137 Ų | 137 | 154.5 Ų | 154.5 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -46.6 | 127.6 | 177.4 | -69.4 | -41.1 | 0 | 0 | 0 | 109.8 | S130 T134 | S130-D132 VanDerWaalsContact C-N 3.27Å; S130-D132 PolarHBondContact O-N 3.38Å; D132-T134 PolarHBondContact O-N 2.8Å | ||
| 133 | R | 56.9 | Low | 59.5 | Low | 248 Ų | 248 | 158.1 Ų | 158.1 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -66.9 | 120 | 176.4 | -68.5 | 173.6 | 173.3 | 151.5 | -3 | 108 | R131 | R131-R133 PolarHBondContact O-N 3.29Š| ||
| 134 | T | 59.2 | Low | 59.7 | Low | 213 Ų | 213 | 157.9 Ų | 157.9 | 100% | 1.307 | 81% | 0.806 | S | S | * | * | trans | -95.3 | 0 | 153.8 | 47.7 | 0 | 0 | 0 | 0 | 109.2 | D132 | D132-T134 PolarHBondContact O-N 2.8Š|
Retrieved 134 of 134 residues in 330 ms
(Link to these results)