| 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 | 47.2 | Very low | 57 | Low | 245 Ų | 245 | 130.5 Ų | 130.5 | 100% | 1.207 | 69% | 0.686 | S | S | * | * | 0 | 55.4 | 0 | -73.1 | 179.1 | 155.2 | 0 | 0 | 112 | |||||
| 2 | G | 53.8 | Low | 57.2 | Low | 47 Ų | 47 | 131.2 Ų | 131.2 | 49% | 0.485 | 69% | 0.689 | S | S | . | * | trans | -120 | -26.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R4 F6 | G2-R4 PolarHBondContact O-N 3.29Å; G2-F6 WeakPolarHBondContact O-CD2 3.29Å; G2-F6 WeakPolarHBondContact O-CE2 3.19Å | ||
| 3 | A | 56 | Low | 57.2 | Low | 81 Ų | 81 | 127.2 Ų | 127.2 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -16.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 4 | R | 56.7 | Low | 57.1 | Low | 223 Ų | 223 | 126.1 Ų | 126.1 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -20.2 | -172.1 | -64.1 | -173.8 | -180 | 171.7 | 0.2 | 114.2 | G2 T7 | G2-R4 PolarHBondContact O-N 3.29Å; R4-T7 PolarHBondContact O-OG1 2.77Å |
| 5 | C | 56.1 | Low | 57.1 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -22 | 179.3 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 6 | F | 58.3 | Low | 57 | Low | 147 Ų | 147 | 127 Ų | 127 | 65% | 0.645 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.9 | -35.3 | -179 | -75.5 | -79.4 | 0 | 0 | 0 | 112.9 | G2 L8 F9 I10 | G2-F6 WeakPolarHBondContact O-CD2 3.29Å; G2-F6 WeakPolarHBondContact O-CE2 3.19Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 2.85Å; F6-F9 PolarHBondContact O-N 3.41Å; F6-I10 WeakPolarHBondContact O-CG1 3.31Å; F6-I10 PolarHBondContact O-N 3.44Å |
| 7 | T | 57.9 | Low | 56.7 | Low | 82 Ų | 82 | 124.1 Ų | 124.1 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -63.8 | -35.8 | 178.2 | 41.1 | 0 | 0 | 0 | 0 | 112.2 | R4 I10 L11 | R4-T7 PolarHBondContact O-OG1 2.77Å; T7-I10 PolarHBondContact O-N 3.01Å; T7-L11 WeakPolarHBondContact O-CB 3.44Å; T7-L11 PolarHBondContact O-N 3.25Å |
| 8 | L | 59.1 | Low | 56.1 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.1 | -35.5 | 176.6 | -67.8 | 175.5 | 0 | 0 | 0 | 112.3 | F6 L12 | F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 2.85Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 PolarHBondContact O-N 2.68Å; L8-L12 VanDerWaalsContact O-N 3.07Å |
| 9 | F | 61.9 | Low | 55.5 | Low | 163 Ų | 163 | 122.5 Ų | 122.5 | 72% | 0.715 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.6 | -28.6 | 179 | -156.3 | -96.5 | 0 | 0 | 0 | 112.9 | F6 P13 | F6-F9 PolarHBondContact O-N 3.41Å; F9-P13 WeakPolarHBondContact O-CD 3.38Å |
| 10 | I | 62.2 | Low | 54.9 | Low | 119 Ų | 119 | 124.6 Ų | 124.6 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.5 | -34.9 | 174.4 | -59.1 | 171.7 | 0 | 0 | 0 | 111.4 | F6 T7 P13 | F6-I10 WeakPolarHBondContact O-CG1 3.31Å; F6-I10 PolarHBondContact O-N 3.44Å; T7-I10 PolarHBondContact O-N 3.01Å; I10-P13 WeakPolarHBondContact O-CD 3.42Å |
| 11 | L | 57.6 | Low | 54.3 | Low | 106 Ų | 106 | 125.3 Ų | 125.3 | 56% | 0.555 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.8 | -32.1 | 179.5 | -109.5 | 91.5 | 0 | 0 | 0 | 113.4 | T7 L14 A15 | T7-L11 WeakPolarHBondContact O-CB 3.44Å; T7-L11 PolarHBondContact O-N 3.25Å; L11-L14 PolarHBondContact O-N 3.21Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 2.83Å |
| 12 | L | 59.2 | Low | 54.4 | Low | 138 Ų | 138 | 121 Ų | 121 | 72% | 0.723 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.6 | -42.1 | -174.7 | -155.7 | 74.1 | 0 | 0 | 0 | 112.8 | L8 F16 | L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 PolarHBondContact O-N 2.68Å; L8-L12 VanDerWaalsContact O-N 3.07Å; L12-F16 PolarHBondContact O-N 3.01Å |
| 13 | P | 57 | Low | 54.1 | Low | 80 Ų | 80 | 126.9 Ų | 126.9 | 52% | 0.519 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.5 | -37.9 | 170.2 | -19 | 31.6 | 0 | 0 | 0 | 112.5 | F9 I10 F16 S17 | F9-P13 WeakPolarHBondContact O-CD 3.38Å; I10-P13 WeakPolarHBondContact O-CD 3.42Å; P13-F16 PolarHBondContact O-N 3.31Å; P13-S17 WeakPolarHBondContact O-CB 3.49Å; P13-S17 PolarHBondContact O-N 3.34Å; P13-S17 VanDerWaalsContact O-N 3.1Å; P13-S17 PolarHBondContact O-OG 2.71Å; P13-S17 VanDerWaalsContact O-OG 3.12Å |
| 14 | L | 55.9 | Low | 53.6 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 58% | 0.581 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68 | -42.9 | -175.3 | -152.3 | 76.3 | 0 | 0 | 0 | 111.8 | L11 F16 S17 V18 | L11-L14 PolarHBondContact O-N 3.21Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L14-F16 PolarHBondContact O-N 2.79Å; L14-S17 WeakPolarHBondContact CA-OG 3.15Å; L14-S17 PolarHBondContact O-N 3.4Å; L14-S17 VanDerWaalsContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 3.45Å; L14-S17 VanDerWaalsContact O-OG 3.04Å; L14-V18 PolarHBondContact O-N 2.76Å |
| 15 | A | 57.6 | Low | 53.2 | Low | 77 Ų | 77 | 124.1 Ų | 124.1 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.3 | -24.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L11 | L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 2.83Å |
| 16 | F | 55.6 | Low | 52.6 | Low | 190 Ų | 190 | 128.6 Ų | 128.6 | 83% | 0.833 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -87.9 | -12.7 | 175.1 | -141.4 | -93.2 | 0 | 0 | 0 | 113.1 | L12 P13 L14 | L12-F16 PolarHBondContact O-N 3.01Å; P13-F16 PolarHBondContact O-N 3.31Å; L14-F16 PolarHBondContact O-N 2.79Å |
| 17 | S | 51.9 | Low | 51.9 | Low | 78 Ų | 78 | 125.7 Ų | 125.7 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -103.2 | -7.4 | -173.5 | 65.3 | 0 | 0 | 0 | 0 | 115.6 | P13 L14 | P13-S17 WeakPolarHBondContact O-CB 3.49Å; P13-S17 PolarHBondContact O-N 3.34Å; P13-S17 VanDerWaalsContact O-N 3.1Å; P13-S17 PolarHBondContact O-OG 2.71Å; P13-S17 VanDerWaalsContact O-OG 3.12Å; L14-S17 WeakPolarHBondContact CA-OG 3.15Å; L14-S17 PolarHBondContact O-N 3.4Å; L14-S17 VanDerWaalsContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 3.45Å; L14-S17 VanDerWaalsContact O-OG 3.04Å |
| 18 | V | 45.2 | Very low | 51.5 | Low | 107 Ų | 107 | 130.4 Ų | 130.4 | 65% | 0.648 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -152.9 | 120.1 | 179.4 | -171 | 0 | 0 | 0 | 0 | 110.3 | L14 | L14-V18 PolarHBondContact O-N 2.76Š|
| 19 | P | 44.7 | Very low | 50.9 | Low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 69% | 0.69 | S | S | * | * | cis | -126.9 | 123.6 | 5 | 35.7 | -16.1 | 0 | 0 | 0 | 113.8 | ||||
| 20 | L | 43.5 | Very low | 50.1 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -110.8 | 23.9 | 161.7 | -110.3 | 145.9 | 0 | 0 | 0 | 111.2 | ||
| 21 | I | 43.8 | Very low | 49.3 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | -139.2 | 63.2 | 176.3 | -43.8 | 171.3 | 0 | 0 | 0 | 108.2 | A24 | I21-A24 HydrophobicContact CG2-CB 4.1Š| ||
| 22 | D | 49.2 | Very low | 48.7 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | S | Bend | -99.4 | 128.4 | 129.6 | -154.9 | 2.5 | 0 | 0 | 0 | 102.9 | |||
| 23 | E | 47.3 | Very low | 48.1 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 91.4 | 65.8 | -166.9 | -49.3 | -153.1 | -159.1 | 0 | 0 | 117.6 | ||
| 24 | A | 45.7 | Very low | 47.5 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | trans | -143 | 18.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I21 Y26 | I21-A24 HydrophobicContact CG2-CB 4.1Å; A24-Y26 PolarHBondContact O-N 3.41Å | ||
| 25 | E | 47.7 | Very low | 46.6 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -82 | 13.6 | 167.1 | -151.8 | -176.4 | 163.6 | 0 | 0 | 112.3 | ||
| 26 | Y | 42.2 | Very low | 45.8 | Very low | 191 Ų | 191 | 143 Ų | 143 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -105.8 | 119.4 | 174.4 | -90.2 | -88.8 | 0 | 0 | 0 | 111.5 | A24 | A24-Y26 PolarHBondContact O-N 3.41Š|
| 27 | D | 45.7 | Very low | 44.9 | Very low | 87 Ų | 87 | 140 Ų | 140 | 47% | 0.465 | 74% | 0.742 | S | S | . | * | trans | 90 | 24.2 | 149.9 | -64.4 | -15.5 | 0 | 0 | 0 | 122.1 | R29 M30 | D27-R29 PolarHBondContact O-N 3.11Å; D27-M30 HydrophobicContact CB-CB 4.37Å; D27-M30 PolarHBondContact O-N 3.04Å | ||
| 28 | E | 47.6 | Very low | 44.3 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -61.5 | -20 | 151.8 | -66.1 | -167.4 | -175 | 0 | 0 | 112.1 | ||
| 29 | R | 47 | Very low | 43.7 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -78.9 | -15.6 | 179.6 | -38.5 | -174.3 | -150.1 | -113.5 | 0.3 | 114 | D27 | D27-R29 PolarHBondContact O-N 3.11Å |
| 30 | M | 44.9 | Very low | 43.3 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -94.5 | -18.8 | 178.9 | -93.6 | -133.1 | 85.6 | 0 | 0 | 114 | D27 | D27-M30 HydrophobicContact CB-CB 4.37Å; D27-M30 PolarHBondContact O-N 3.04Å |
| 31 | L | 46.2 | Very low | 42.9 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -94.3 | -8.1 | -174.5 | -76.4 | 166.1 | 0 | 0 | 0 | 114.9 | ||
| 32 | T | 44.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -89.8 | -2.8 | 178.2 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 33 | E | 47.1 | Very low | 42.1 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -96.3 | -3.7 | 177.8 | -69.5 | -161.8 | 171.5 | 0 | 0 | 115.1 | ||
| 34 | Q | 43.9 | Very low | 41.6 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -116.9 | 39 | 175.9 | -87.3 | -167.6 | 8.3 | 0 | 0 | 113.7 | ||
| 35 | G | 36.8 | Very low | 41.2 | Very low | 60 Ų | 60 | 149 Ų | 149 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | -138.3 | 47.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 36 | T | 41.9 | Very low | 40.8 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -146.9 | 119.6 | 147.3 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 37 | T | 37 | Very low | 40.3 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -61.1 | 146.4 | 167.4 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 38 | I | 38.5 | Very low | 39.5 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | 176.9 | 94.5 | 138.2 | -80.9 | 143.9 | 0 | 0 | 0 | 103.7 | D40 | I38-D40 PolarHBondContact O-N 3.47Š| ||
| 39 | R | 32.6 | Very low | 39 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | 31.4 | 65.9 | 85.4 | -160.9 | 175.6 | 179.4 | 150.7 | -1.1 | 113.4 | |||||
| 40 | D | 37.2 | Very low | 38.6 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -119 | 124.3 | 146.7 | -88.4 | -40.5 | 0 | 0 | 0 | 109.8 | I38 | I38-D40 PolarHBondContact O-N 3.47Š| ||
| 41 | S | 34.6 | Very low | 38.3 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -67.9 | 160.6 | 179.2 | -28.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 42 | D | 36.2 | Very low | 37.8 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | 72.1 | 88 | 165.7 | -64.4 | -29.9 | 0 | 0 | 0 | 117.5 | ||||
| 43 | M | 39.7 | Very low | 37.1 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -157 | 109.9 | 131.6 | -115.3 | 172.1 | 128.3 | 0 | 0 | 113 | ||||
| 44 | A | 37.1 | Very low | 36.5 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | 48 | 105.2 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 45 | V | 37.2 | Very low | 36.1 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -7.7 | 119.8 | 130.6 | -129.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 46 | T | 38.3 | Very low | 36.2 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | -153.5 | 124.7 | 129.6 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 47 | S | 32 | Very low | 36 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -36.4 | 146.7 | 157.3 | 46.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 48 | S | 30.5 | Very low | 35.8 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | 157 | 141 | 107.4 | -157.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 49 | E | 37.1 | Very low | 35.5 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 78.1 | 104.1 | 147.3 | -77.6 | 156.8 | 142.5 | 0 | 0 | 122.9 | ||||
| 50 | K | 38.4 | Very low | 35.7 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | -51.3 | 166.2 | 129.5 | -139.4 | 178.2 | 169.5 | 155.2 | 0 | 109.6 | |||||
| 51 | P | 37.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | cis | -148.4 | -174.7 | 15 | 42.1 | -20.5 | 0 | 0 | 0 | 117.1 | ||||
| 52 | G | 34.7 | Very low | 36.2 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 122.6 | 99.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 53 | S | 30 | Very low | 36.5 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 81.2 | 108.7 | 78 | -80 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 54 | S | 34.5 | Very low | 36.5 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 52.6 | 128.3 | 133.4 | 74.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 55 | S | 36.3 | Very low | 36.8 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | 131.7 | 139.3 | 124.6 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 56 | G | 37.5 | Very low | 37 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 137.9 | 58 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 57 | S | 38.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 58.1 | 90.6 | 93.3 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 58 | G | 32.8 | Very low | 38 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 129.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 59 | S | 32.8 | Very low | 38.5 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | trans | -126.4 | 129.4 | 168.1 | 62.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 60 | E | 36 | Very low | 39 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 68.4 | 131 | 134.6 | -60.8 | 167.1 | -158.5 | 0 | 0 | 115.4 | ||||
| 61 | E | 41.4 | Very low | 39.5 | Very low | 161 Ų | 161 | 124 Ų | 124 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | -164.3 | 125 | 28.9 | -117.2 | 173 | 154.1 | 0 | 0 | 105.6 | V63 | E61-V63 PolarHBondContact O-N 3.26Š| ||
| 62 | N | 41.9 | Very low | 39.8 | Very low | 179 Ų | 179 | 121.6 Ų | 121.6 | 96% | 0.957 | 78% | 0.78 | S | S | * | * | trans | -78.2 | 93.9 | 171.8 | -68.8 | -18.9 | 0 | 0 | 0 | 108.4 | S64 | N62-S64 PolarHBondContact O-N 3.22Š| ||
| 63 | V | 42.3 | Very low | 40.3 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | -72.5 | 113.3 | 171.8 | 178 | 0 | 0 | 0 | 0 | 108.9 | E61 I65 | E61-V63 PolarHBondContact O-N 3.26Å; V63-I65 PolarHBondContact O-N 2.75Å | ||
| 64 | S | 38.9 | Very low | 41.1 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -57.4 | 114.2 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | N62 | N62-S64 PolarHBondContact O-N 3.22Š| ||
| 65 | I | 44.7 | Very low | 41.4 | Very low | 161 Ų | 161 | 125 Ų | 125 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -101.4 | 113.8 | 168.2 | -50.9 | 173.3 | 0 | 0 | 0 | 106.7 | V63 | V63-I65 PolarHBondContact O-N 2.75Š| ||
| 66 | A | 41.1 | Very low | 41.6 | Very low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | trans | -55.8 | 134.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T68 | A66-T68 PolarHBondContact O-N 2.83Š| ||
| 67 | E | 42.6 | Very low | 42 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -53.2 | 102.5 | 167.4 | -63.8 | 178.6 | 144.2 | 0 | 0 | 109.9 | S69 | E67-S69 PolarHBondContact O-N 3.17Š| ||
| 68 | T | 47.7 | Very low | 42.2 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -81.6 | 110.4 | 167.3 | 17.3 | 0 | 0 | 0 | 0 | 107.6 | A66 L70 | A66-T68 PolarHBondContact O-N 2.83Å; T68-L70 PolarHBondContact O-N 3.1Å | ||
| 69 | S | 42.4 | Very low | 42.9 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.1 | -176.4 | -24.3 | 0 | 0 | 0 | 0 | 110.6 | E67 | E67-S69 PolarHBondContact O-N 3.17Š|
| 70 | L | 46.2 | Very low | 43.3 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 132.9 | 165.4 | -72.1 | 132 | 0 | 0 | 0 | 109.1 | T68 A72 | T68-L70 PolarHBondContact O-N 3.1Å; L70-A72 PolarHBondContact O-N 3.44Å |
| 71 | P | 49 | Very low | 43.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116 | 173 | 24.3 | -30.9 | 0 | 0 | 0 | 108.8 | L73 | P71-L73 PolarHBondContact O-N 3.21Š|
| 72 | A | 44.7 | Very low | 43.6 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 56% | 0.562 | 78% | 0.78 | S | S | * | * | trans | -60.3 | 109.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L70 S74 | L70-A72 PolarHBondContact O-N 3.44Å; A72-S74 PolarHBondContact O-N 3.31Å | ||
| 73 | L | 46.1 | Very low | 43.6 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -66.2 | 15.7 | 171.6 | -65.1 | 172.6 | 0 | 0 | 0 | 113.1 | P71 S75 | P71-L73 PolarHBondContact O-N 3.21Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 2.61Å |
| 74 | S | 46.3 | Very low | 43.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -84.3 | 2.3 | -179.2 | 56.4 | 0 | 0 | 0 | 0 | 114 | A72 | A72-S74 PolarHBondContact O-N 3.31Š|
| 75 | S | 41.2 | Very low | 43.8 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -108.5 | 17.2 | -178.1 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | L73 P77 | L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 2.61Å; S75-P77 WeakPolarHBondContact O-CD 3.36Å |
| 76 | L | 40 | Very low | 43.6 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 114.8 | 165.8 | -110.9 | 83.4 | 0 | 0 | 0 | 109.6 | T78 | L76-T78 PolarHBondContact O-N 2.85Š| ||
| 77 | P | 44.5 | Very low | 43.5 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -65.4 | 127 | 177.2 | 26.2 | -32.2 | 0 | 0 | 0 | 110.3 | S75 E79 | S75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-E79 VanDerWaalsContact C-N 3.27Å; P77-E79 PolarHBondContact O-N 3.23Å; P77-E79 VanDerWaalsContact O-N 3.07Å | ||
| 78 | T | 44.6 | Very low | 43.5 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | -75.5 | 81.4 | 164.6 | 9.3 | 0 | 0 | 0 | 0 | 107.6 | L76 | L76-T78 PolarHBondContact O-N 2.85Š| ||
| 79 | E | 45.6 | Very low | 43.2 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -96 | 123.7 | 170.1 | -163.7 | 172.1 | -177.6 | 0 | 0 | 109.4 | P77 | P77-E79 VanDerWaalsContact C-N 3.27Å; P77-E79 PolarHBondContact O-N 3.23Å; P77-E79 VanDerWaalsContact O-N 3.07Å | ||
| 80 | P | 41.9 | Very low | 43.4 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | -70.7 | 141.5 | -170.5 | 26.2 | -33.1 | 0 | 0 | 0 | 113.4 | E82 | P80-E82 PolarHBondContact O-N 3.46Å; P80-E82 VanDerWaalsContact O-N 3.09Å | ||
| 81 | L | 39.7 | Very low | 43.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | -62.1 | 96.9 | 179.2 | -151.6 | 85.2 | 0 | 0 | 0 | 111.1 | T83 | L81-T83 HydrophobicContact CD2-CG2 3.68Å; L81-T83 HydrophobicContact CG-CG2 4.18Å; L81-T83 PolarHBondContact O-N 3.35Å | ||
| 82 | E | 43.3 | Very low | 44.2 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -66.1 | 102 | 163.7 | -66 | -126.9 | 136.2 | 0 | 0 | 108 | P80 D84 | P80-E82 PolarHBondContact O-N 3.46Å; P80-E82 VanDerWaalsContact O-N 3.09Å; E82-D84 PolarHBondContact O-N 3.44Å | ||
| 83 | T | 43.6 | Very low | 44.4 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -95.1 | 88.1 | 175.2 | 30.2 | 0 | 0 | 0 | 0 | 107.9 | L81 K85 | L81-T83 HydrophobicContact CD2-CG2 3.68Å; L81-T83 HydrophobicContact CG-CG2 4.18Å; L81-T83 PolarHBondContact O-N 3.35Å; T83-K85 PolarHBondContact O-N 3.27Å | ||
| 84 | D | 45 | Very low | 44.7 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | -64.1 | 110.2 | 162.9 | -87.2 | -31.5 | 0 | 0 | 0 | 108.6 | E82 S86 | E82-D84 PolarHBondContact O-N 3.44Å; D84-S86 PolarHBondContact O-N 3.04Å; D84-S86 VanDerWaalsContact O-N 3.08Å | ||
| 85 | K | 40.7 | Very low | 45 | Very low | 209 Ų | 209 | 139.2 Ų | 139.2 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | -54.1 | 108.9 | 171.2 | -71 | 168.9 | 175.9 | 169.5 | 0 | 109.1 | T83 | T83-K85 PolarHBondContact O-N 3.27Š| ||
| 86 | S | 39.8 | Very low | 45.6 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -126.6 | 106.9 | 144.8 | -161 | 0 | 0 | 0 | 0 | 109.3 | D84 | D84-S86 PolarHBondContact O-N 3.04Å; D84-S86 VanDerWaalsContact O-N 3.08Å | ||
| 87 | L | 39.9 | Very low | 46.3 | Very low | 138 Ų | 138 | 141 Ų | 141 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | -80.3 | 144.3 | -178.6 | -173.7 | 88.8 | 0 | 0 | 0 | 108.8 | ||||
| 88 | N | 40.9 | Very low | 46.8 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | 71.2 | 111.6 | 165.4 | -61.7 | -26.5 | 0 | 0 | 0 | 116.4 | ||||
| 89 | N | 41.6 | Very low | 47.3 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | 161.5 | 83.9 | 96.1 | -165.5 | 28.2 | 0 | 0 | 0 | 109.8 | |||||
| 90 | D | 46.7 | Very low | 47.8 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 49% | 0.492 | 70% | 0.697 | S | S | . | * | trans | -147.2 | 79.7 | 159.8 | -160.4 | -5.6 | 0 | 0 | 0 | 110 | T92 N93 | D90-T92 PolarHBondContact O-N 3.22Å; D90-T92 VanDerWaalsContact OD1-CB 3.31Å; D90-T92 WeakPolarHBondContact OD1-CB 3.39Å; D90-T92 PolarHBondContact OD1-N 2.99Å; D90-T92 PolarHBondContact OD1-OG1 3.2Å; D90-N93 HydrophobicContact CB-CB 4.49Å; D90-N93 PolarHBondContact OD1-N 3.46Å | ||
| 91 | K | 54.8 | Low | 48.5 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66.5 | -21.9 | 171.9 | -91.6 | 178.9 | 174.8 | 175.7 | 0 | 112 | ||
| 92 | T | 57 | Low | 49.3 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.9 | -38.2 | -175.5 | 1.2 | 0 | 0 | 0 | 0 | 111.6 | D90 R94 Q95 | D90-T92 PolarHBondContact O-N 3.22Å; D90-T92 VanDerWaalsContact OD1-CB 3.31Å; D90-T92 WeakPolarHBondContact OD1-CB 3.39Å; D90-T92 PolarHBondContact OD1-N 2.99Å; D90-T92 PolarHBondContact OD1-OG1 3.2Å; T92-R94 VanDerWaalsContact C-N 3.28Å; T92-R94 PolarHBondContact O-N 2.92Å; T92-Q95 PolarHBondContact O-N 2.82Å |
| 93 | N | 49.3 | Very low | 50 | Low | 79 Ų | 79 | 134.2 Ų | 134.2 | 42% | 0.422 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -65.5 | -30.3 | 178.2 | -142.3 | -53.1 | 0 | 0 | 0 | 113.1 | D90 Q95 F97 | D90-N93 HydrophobicContact CB-CB 4.49Å; D90-N93 PolarHBondContact OD1-N 3.46Å; N93-Q95 PolarHBondContact O-N 3.43Å; N93-F97 VanDerWaalsContact O-CD2 3.3Å; N93-F97 WeakPolarHBondContact O-CD2 3.3Å; N93-F97 VanDerWaalsContact OD1-CE2 3.28Å; N93-F97 WeakPolarHBondContact OD1-CE2 3.28Å |
| 94 | R | 51.7 | Low | 50.8 | Low | 190 Ų | 190 | 130.7 Ų | 130.7 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.1 | -25.2 | -176.1 | -160.3 | 172.6 | 169 | 176.5 | -2.4 | 113.7 | T92 | T92-R94 VanDerWaalsContact C-N 3.28Å; T92-R94 PolarHBondContact O-N 2.92Å |
| 95 | Q | 52.4 | Low | 51.8 | Low | 142 Ų | 142 | 125 Ų | 125 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74 | -33.1 | 178.7 | -116.2 | 175.3 | -15.3 | 0 | 0 | 112.7 | T92 N93 F97 E98 | T92-Q95 PolarHBondContact O-N 2.82Å; N93-Q95 PolarHBondContact O-N 3.43Å; Q95-F97 VanDerWaalsContact C-N 3.35Å; Q95-F97 PolarHBondContact O-N 3.46Å; Q95-E98 PolarHBondContact O-N 3.32Å |
| 96 | Q | 54.2 | Low | 53.1 | Low | 141 Ų | 141 | 122 Ų | 122 | 66% | 0.659 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.4 | -28 | 177.9 | -107.4 | -175.2 | -10.6 | 0 | 0 | 113.7 | E98 T100 | Q96-E98 VanDerWaalsContact C-N 3.35Å; Q96-T100 PolarHBondContact O-N 2.91Å; Q96-T100 PolarHBondContact O-OG1 3.45Å; Q96-T100 VanDerWaalsContact O-OG1 3.05Å |
| 97 | F | 54.4 | Low | 54.3 | Low | 139 Ų | 139 | 121.3 Ų | 121.3 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.2 | -20.7 | 175.9 | -78.6 | -74.9 | 0 | 0 | 0 | 113.6 | N93 Q95 T100 | N93-F97 VanDerWaalsContact O-CD2 3.3Å; N93-F97 WeakPolarHBondContact O-CD2 3.3Å; N93-F97 VanDerWaalsContact OD1-CE2 3.28Å; N93-F97 WeakPolarHBondContact OD1-CE2 3.28Å; Q95-F97 VanDerWaalsContact C-N 3.35Å; Q95-F97 PolarHBondContact O-N 3.46Å; F97-T100 PolarHBondContact O-OG1 2.89Å |
| 98 | E | 56.4 | Low | 55.7 | Low | 123 Ų | 123 | 119.8 Ų | 119.8 | 58% | 0.575 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.1 | -36.1 | 176.1 | -72.3 | -175.7 | 179.5 | 0 | 0 | 112 | Q95 Q96 L102 | Q95-E98 PolarHBondContact O-N 3.32Å; Q96-E98 VanDerWaalsContact C-N 3.35Å; E98-L102 PolarHBondContact O-N 3.35Å |
| 99 | E | 53.9 | Low | 56.8 | Low | 142 Ų | 142 | 120 Ų | 120 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72 | -37.4 | 178.6 | -67.3 | -175.3 | 174.5 | 0 | 0 | 112.7 | N101 L102 I103 | E99-N101 VanDerWaalsContact C-N 3.3Å; E99-N101 PolarHBondContact O-N 3.08Å; E99-L102 PolarHBondContact O-N 3.05Å; E99-I103 PolarHBondContact O-N 3.41Å |
| 100 | T | 56.9 | Low | 58 | Low | 88 Ų | 88 | 119.9 Ų | 119.9 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.7 | -27 | 177.6 | 46.7 | 0 | 0 | 0 | 0 | 113 | Q96 F97 | Q96-T100 PolarHBondContact O-N 2.91Å; Q96-T100 PolarHBondContact O-OG1 3.45Å; Q96-T100 VanDerWaalsContact O-OG1 3.05Å; F97-T100 PolarHBondContact O-OG1 2.89Å |
| 101 | N | 55.9 | Low | 58.7 | Low | 126 Ų | 126 | 121.5 Ų | 121.5 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.3 | -27 | 175.9 | -147.4 | -13.5 | 0 | 0 | 0 | 112.4 | E99 G105 | E99-N101 VanDerWaalsContact C-N 3.3Å; E99-N101 PolarHBondContact O-N 3.08Å; N101-G105 PolarHBondContact O-N 2.92Å |
| 102 | L | 56.5 | Low | 59.3 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 173.5 | -114 | 83.6 | 0 | 0 | 0 | 112 | E98 E99 G104 G105 E106 | E98-L102 PolarHBondContact O-N 3.35Å; E99-L102 PolarHBondContact O-N 3.05Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.44Å; L102-G105 PolarHBondContact O-N 3.2Å; L102-E106 PolarHBondContact O-N 2.94Å; L102-E106 VanDerWaalsContact O-N 3.1Å |
| 103 | I | 58.7 | Low | 59.5 | Low | 107 Ų | 107 | 118.7 Ų | 118.7 | 55% | 0.549 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.4 | -40.1 | -179.5 | -62.4 | 166.6 | 0 | 0 | 0 | 110.9 | E99 L107 | E99-I103 PolarHBondContact O-N 3.41Å; I103-L107 HydrophobicContact CG2-CD1 4.48Å; I103-L107 PolarHBondContact O-N 3.41Å |
| 104 | G | 60.2 | Low | 59.7 | Low | 32 Ų | 32 | 120.7 Ų | 120.7 | 33% | 0.33 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.6 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L102 I108 | L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.44Å; G104-I108 WeakPolarHBondContact O-CD1 3.3Å; G104-I108 WeakPolarHBondContact O-CG1 3.5Å; G104-I108 PolarHBondContact O-N 3.31Å |
| 105 | G | 65.9 | Low | 59.7 | Low | 38 Ų | 38 | 118.9 Ų | 118.9 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.2 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N101 L102 I108 Q109 | N101-G105 PolarHBondContact O-N 2.92Å; L102-G105 PolarHBondContact O-N 3.2Å; G105-I108 PolarHBondContact O-N 3.43Å; G105-Q109 PolarHBondContact O-N 3.49Å; G105-Q109 VanDerWaalsContact O-N 3.17Å |
| 106 | E | 67.4 | Low | 59.8 | Low | 145 Ų | 145 | 119.2 Ų | 119.2 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -40.2 | -179.9 | -161.7 | -179.3 | -179.7 | 0 | 0 | 112.1 | L102 I108 Q109 K110 | L102-E106 PolarHBondContact O-N 2.94Å; L102-E106 VanDerWaalsContact O-N 3.1Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-I108 PolarHBondContact O-N 3.34Å; E106-Q109 PolarHBondContact O-N 3.46Å; E106-K110 PolarHBondContact O-N 3.05Å |
| 107 | L | 66.5 | Low | 59.5 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61 | -40.1 | 174.5 | -97.8 | 152.3 | 0 | 0 | 0 | 112.5 | I103 K110 L111 | I103-L107 HydrophobicContact CG2-CD1 4.48Å; I103-L107 PolarHBondContact O-N 3.41Å; L107-K110 PolarHBondContact O-N 2.94Å; L107-L111 PolarHBondContact O-N 3.4Å; L107-L111 VanDerWaalsContact O-N 3.13Å |
| 108 | I | 67.7 | Low | 59 | Low | 107 Ų | 107 | 119.8 Ų | 119.8 | 55% | 0.549 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.6 | -35.3 | 178.6 | -65.3 | 168.1 | 0 | 0 | 0 | 111.5 | G104 G105 E106 K112 | G104-I108 WeakPolarHBondContact O-CD1 3.3Å; G104-I108 WeakPolarHBondContact O-CG1 3.5Å; G104-I108 PolarHBondContact O-N 3.31Å; G105-I108 PolarHBondContact O-N 3.43Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-I108 PolarHBondContact O-N 3.34Å; I108-K112 PolarHBondContact O-N 3.44Å |
| 109 | Q | 65.5 | Low | 58 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68 | -38.9 | 173.8 | -91.6 | -170.3 | 12.5 | 0 | 0 | 112.5 | G105 E106 K112 S113 | G105-Q109 PolarHBondContact O-N 3.49Å; G105-Q109 VanDerWaalsContact O-N 3.17Å; E106-Q109 PolarHBondContact O-N 3.46Å; Q109-K112 PolarHBondContact O-N 3.49Å; Q109-S113 PolarHBondContact O-N 3.25Å; Q109-S113 PolarHBondContact O-OG 3Å |
| 110 | K | 66.6 | Low | 57.5 | Low | 149 Ų | 149 | 119.5 Ų | 119.5 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.3 | -44 | -179.7 | -159.5 | 164.5 | -179.9 | -178.3 | 0 | 111.6 | E106 L107 K112 S113 D114 | E106-K110 PolarHBondContact O-N 3.05Å; L107-K110 PolarHBondContact O-N 2.94Å; K110-K112 VanDerWaalsContact C-N 3.33Å; K110-K112 PolarHBondContact O-N 3.45Å; K110-S113 PolarHBondContact O-N 3.34Å; K110-S113 VanDerWaalsContact O-N 3.14Å; K110-D114 PolarHBondContact O-N 2.89Å |
| 111 | L | 61.5 | Low | 56.5 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.1 | -35.2 | 175.3 | -78 | 163.8 | 0 | 0 | 0 | 113.6 | L107 S113 | L107-L111 PolarHBondContact O-N 3.4Å; L107-L111 VanDerWaalsContact O-N 3.13Å; L111-S113 VanDerWaalsContact C-N 3.31Å; L111-S113 PolarHBondContact O-N 3.41Å |
| 112 | K | 67.3 | Low | 55.7 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.5 | -22 | 176.2 | -89.7 | -179.7 | 172.8 | 178.9 | 0 | 114.2 | I108 Q109 K110 | I108-K112 PolarHBondContact O-N 3.44Å; Q109-K112 PolarHBondContact O-N 3.49Å; K110-K112 VanDerWaalsContact C-N 3.33Å; K110-K112 PolarHBondContact O-N 3.45Å |
| 113 | S | 61.2 | Low | 54.8 | Low | 77 Ų | 77 | 123 Ų | 123 | 54% | 0.538 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -83.8 | -28.8 | -177.3 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | Q109 K110 L111 | Q109-S113 PolarHBondContact O-N 3.25Å; Q109-S113 PolarHBondContact O-OG 3Å; K110-S113 PolarHBondContact O-N 3.34Å; K110-S113 VanDerWaalsContact O-N 3.14Å; L111-S113 VanDerWaalsContact C-N 3.31Å; L111-S113 PolarHBondContact O-N 3.41Å |
| 114 | D | 53.6 | Low | 53.8 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.7 | -21.8 | -178.5 | -69.7 | -22.5 | 0 | 0 | 0 | 113 | K110 L116 | K110-D114 PolarHBondContact O-N 2.89Å; D114-L116 PolarHBondContact O-N 2.94Å |
| 115 | D | 50.9 | Low | 52.7 | Low | 151 Ų | 151 | 130.2 Ų | 130.2 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 2.9 | -174.3 | -149.8 | 16 | 0 | 0 | 0 | 114.9 | ||
| 116 | L | 54 | Low | 51.6 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 8.3 | -175.4 | -88 | 144.2 | 0 | 0 | 0 | 114.7 | D114 | D114-L116 PolarHBondContact O-N 2.94Š|
| 117 | S | 48.2 | Very low | 50.2 | Low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -104.3 | 8.1 | -168.5 | -51.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 118 | E | 43.7 | Very low | 48.8 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -127.7 | 62.6 | 178.7 | -123.3 | 178.4 | -175.8 | 0 | 0 | 112.4 | ||||
| 119 | S | 36.6 | Very low | 47.9 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -143.4 | 102.8 | 169.6 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 120 | L | 42.5 | Very low | 46.6 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 170 | 121.2 | 151.1 | -91.9 | 151.5 | 0 | 0 | 0 | 113.1 | ||||
| 121 | R | 36.8 | Very low | 45.3 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | trans | 78.2 | 123.8 | 149 | -61.3 | 176.1 | 117.8 | -132.9 | -11.2 | 117.3 | E123 | R121-E123 IonicContact CZ-OE2 3.25Å; R121-E123 IonicContact NH1-OE2 3.87Å; R121-E123 PolarHBondContact NH1-OE2 3.36Å; R121-E123 IonicContact NH2-OE1 3.2Å; R121-E123 IonicContact NH2-OE2 2.76Å; R121-E123 PolarHBondContact NH2-OE2 2.91Å | ||
| 122 | A | 38.3 | Very low | 44.2 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | cis | 58.2 | 89.2 | 32.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 123 | E | 37.5 | Very low | 42.7 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -172.9 | 105.6 | 157.8 | -111.9 | 173.9 | 141.8 | 0 | 0 | 107.4 | R121 | R121-E123 IonicContact CZ-OE2 3.25Å; R121-E123 IonicContact NH1-OE2 3.87Å; R121-E123 PolarHBondContact NH1-OE2 3.36Å; R121-E123 IonicContact NH2-OE1 3.2Å; R121-E123 IonicContact NH2-OE2 2.76Å; R121-E123 PolarHBondContact NH2-OE2 2.91Å | ||
| 124 | D | 37.3 | Very low | 42 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | 73.7 | 86.1 | 69.6 | -150.9 | 11.4 | 0 | 0 | 0 | 113.2 | |||||
| 125 | V | 38.3 | Very low | 41.4 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -178.9 | 137.1 | 166.6 | -103.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 126 | N | 41.6 | Very low | 41 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | cis | -173.6 | 137.1 | 6.7 | -164.1 | 15.2 | 0 | 0 | 0 | 108.3 | ||||
| 127 | A | 39.6 | Very low | 40.5 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 54% | 0.537 | 77% | 0.771 | S | S | . | * | trans | 47.2 | 118.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 128 | T | 37 | Very low | 40.2 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | 75.4 | 131.3 | 114.1 | -40.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 129 | T | 47 | Very low | 40.1 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | 90.2 | 126.9 | 158.4 | 74.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 130 | S | 39.5 | Very low | 40.7 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | cis | -159.8 | 143.9 | 19.2 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 131 | S | 39.4 | Very low | 41.1 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | 105 | 93.5 | 158.6 | -50.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 132 | E | 37.1 | Very low | 41.8 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | 73.3 | 96.6 | 134.8 | -52 | 179.8 | 167.9 | 0 | 0 | 118.6 | ||||
| 133 | D | 37.5 | Very low | 42.5 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | 36.9 | 128.9 | 153.3 | -87.1 | -31.3 | 0 | 0 | 0 | 121.8 | ||||
| 134 | S | 45.3 | Very low | 43.3 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 76.5 | 82.8 | 150.3 | -174.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 135 | A | 41.4 | Very low | 44.1 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | -179.9 | 91.2 | 109.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S137 | A135-S137 PolarHBondContact O-N 2.87Š| |||
| 136 | F | 41.9 | Very low | 45.1 | Very low | 218 Ų | 218 | 141 Ų | 141 | 96% | 0.956 | 78% | 0.778 | S | S | * | * | trans | -56.6 | 97.7 | 148.3 | -90.6 | -94.2 | 0 | 0 | 0 | 107.8 | ||||
| 137 | S | 43.6 | Very low | 45.6 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -137.2 | 84.6 | 159.1 | -161 | 0 | 0 | 0 | 0 | 108 | A135 R139 | A135-S137 PolarHBondContact O-N 2.87Å; S137-R139 PolarHBondContact O-N 3.38Å; S137-R139 VanDerWaalsContact O-N 3.14Å | ||
| 138 | N | 41.6 | Very low | 46.3 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 19.5 | 87.1 | 139.6 | -68.9 | -23.9 | 0 | 0 | 0 | 115.1 | S140 | N138-S140 VanDerWaalsContact C-N 3.34Š| ||
| 139 | R | 42.5 | Very low | 47.2 | Very low | 233 Ų | 233 | 142.8 Ų | 142.8 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -98.6 | 79.5 | 140 | -86.8 | -171.2 | 175.9 | -173.1 | -1.2 | 107.6 | S137 S141 | S137-R139 PolarHBondContact O-N 3.38Å; S137-R139 VanDerWaalsContact O-N 3.14Å; R139-S141 PolarHBondContact O-N 3.1Å | ||
| 140 | S | 48.8 | Very low | 47.8 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -51.8 | 89.5 | 146.1 | 150.8 | 0 | 0 | 0 | 0 | 107 | N138 | N138-S140 VanDerWaalsContact C-N 3.34Š| ||
| 141 | S | 50.7 | Low | 48.7 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -148.8 | 55.5 | 169.2 | -49.1 | 0 | 0 | 0 | 0 | 105.7 | R139 E143 | R139-S141 PolarHBondContact O-N 3.1Å; S141-E143 PolarHBondContact O-N 3.26Å | ||
| 142 | E | 51.5 | Low | 49.6 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 83.6 | 151.6 | -97.9 | 170.7 | 153.4 | 0 | 0 | 105.4 | T144 | E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 3.46Å | ||
| 143 | E | 54.5 | Low | 50.9 | Low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -52.7 | 105.9 | 160.9 | -167.8 | 167.3 | -164.9 | 0 | 0 | 104.5 | S141 E145 | S141-E143 PolarHBondContact O-N 3.26Å; E143-E145 PolarHBondContact O-N 3.38Å | ||
| 144 | T | 53.8 | Low | 52.2 | Low | 110 Ų | 110 | 138.9 Ų | 138.9 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | trans | -46.5 | 116.3 | 168.7 | 48.4 | 0 | 0 | 0 | 0 | 105.8 | E142 K146 | E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 3.46Å; T144-K146 PolarHBondContact O-N 2.94Å | ||
| 145 | E | 54.5 | Low | 53.4 | Low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | -52.5 | 96.6 | 163.4 | -88.6 | -174.4 | 156.7 | 0 | 0 | 105 | E143 F147 | E143-E145 PolarHBondContact O-N 3.38Å; E145-F147 PolarHBondContact O-N 3.49Å | ||
| 146 | K | 58.7 | Low | 55.2 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | -60.3 | 114 | 166.2 | -76 | -171.4 | 168.5 | -167 | 0 | 102.3 | T144 S148 | T144-K146 PolarHBondContact O-N 2.94Å; K146-S148 PolarHBondContact O-N 3.31Å | ||
| 147 | F | 52.3 | Low | 57.1 | Low | 188 Ų | 188 | 129.3 Ų | 129.3 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -52.6 | 93.2 | 153.5 | -77.3 | -86.4 | 0 | 0 | 0 | 105.5 | E145 T149 | E145-F147 PolarHBondContact O-N 3.49Å; F147-T149 PolarHBondContact O-N 3.19Å | ||
| 148 | S | 53.3 | Low | 58.8 | Low | 73 Ų | 73 | 130.5 Ų | 130.5 | 51% | 0.51 | 68% | 0.683 | S | S | . | * | trans | -65.5 | 105.3 | 173.4 | -88.5 | 0 | 0 | 0 | 0 | 105.2 | K146 D150 S151 | K146-S148 PolarHBondContact O-N 3.31Å; S148-D150 PolarHBondContact O-N 3.09Å; S148-S151 PolarHBondContact O-N 3.43Å; S148-S151 PolarHBondContact O-OG 2.94Å | ||
| 149 | T | 56.6 | Low | 60.8 | Low | 107 Ų | 107 | 126 Ų | 126 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -56.7 | -11.3 | 165.9 | 50 | 0 | 0 | 0 | 0 | 111.7 | F147 S151 I152 | F147-T149 PolarHBondContact O-N 3.19Å; T149-S151 PolarHBondContact O-N 2.89Å; T149-I152 PolarHBondContact O-N 3.37Å; T149-I152 VanDerWaalsContact O-N 3.14Å |
| 150 | D | 60 | Low | 62.8 | Low | 155 Ų | 155 | 121 Ų | 121 | 83% | 0.829 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -54.9 | -14.9 | 172.8 | -130.2 | 16.9 | 0 | 0 | 0 | 115.1 | S148 | S148-D150 PolarHBondContact O-N 3.09Š|
| 151 | S | 57.7 | Low | 64.7 | Low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -102.2 | -13 | 178.3 | 67.5 | 0 | 0 | 0 | 0 | 114.8 | S148 T149 D153 | S148-S151 PolarHBondContact O-N 3.43Å; S148-S151 PolarHBondContact O-OG 2.94Å; T149-S151 PolarHBondContact O-N 2.89Å; S151-D153 PolarHBondContact O-N 3.4Å |
| 152 | I | 57.6 | Low | 66.5 | Low | 101 Ų | 101 | 119.2 Ų | 119.2 | 52% | 0.518 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -86.1 | 104.9 | 168.6 | -71.8 | 169.9 | 0 | 0 | 0 | 104.5 | T149 E154 V157 | T149-I152 PolarHBondContact O-N 3.37Å; T149-I152 VanDerWaalsContact O-N 3.14Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 2.9Å; I152-V157 HydrophobicContact CG2-CG2 3.23Å |
| 153 | D | 65 | Low | 68.4 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | trans | -48.9 | 103.1 | 168.2 | -94 | -41.2 | 0 | 0 | 0 | 107.3 | S151 S155 D156 V157 | S151-D153 PolarHBondContact O-N 3.4Å; D153-S155 PolarHBondContact O-N 3.49Å; D153-D156 HydrophobicContact CB-CB 3.9Å; D153-D156 WeakPolarHBondContact O-CA 3.21Å; D153-D156 WeakPolarHBondContact O-CB 3.44Å; D153-D156 PolarHBondContact O-N 2.99Å; D153-V157 PolarHBondContact O-N 3.42Å | ||
| 154 | E | 65.1 | Low | 70.2 | Confident | 134 Ų | 134 | 110.6 Ų | 110.6 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.8 | -28.7 | 178.7 | -65.6 | -176.4 | 169.4 | 0 | 0 | 109.7 | I152 V157 Q158 | I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 2.9Å; E154-V157 PolarHBondContact O-N 2.91Å; E154-Q158 WeakPolarHBondContact O-CB 3.35Å; E154-Q158 VanDerWaalsContact O-CG 3.24Å; E154-Q158 WeakPolarHBondContact O-CG 3.29Å; E154-Q158 PolarHBondContact O-N 3.45Å |
| 155 | S | 70.3 | Confident | 71.9 | Confident | 75 Ų | 75 | 109.8 Ų | 109.8 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -37 | 171.6 | 71 | 0 | 0 | 0 | 0 | 114 | D153 S159 | D153-S155 PolarHBondContact O-N 3.49Å; S155-S159 VanDerWaalsContact O-CB 3.27Å; S155-S159 WeakPolarHBondContact O-CB 3.49Å; S155-S159 PolarHBondContact O-N 2.85Å; S155-S159 PolarHBondContact O-OG 3.39Å |
| 156 | D | 80.2 | Confident | 73.7 | Confident | 69 Ų | 69 | 107.4 Ų | 107.4 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.7 | -40.2 | 176.1 | -175.1 | 40.4 | 0 | 0 | 0 | 110.8 | D153 S159 K160 | D153-D156 HydrophobicContact CB-CB 3.9Å; D153-D156 WeakPolarHBondContact O-CA 3.21Å; D153-D156 WeakPolarHBondContact O-CB 3.44Å; D153-D156 PolarHBondContact O-N 2.99Å; D156-S159 WeakPolarHBondContact CA-OG 3.4Å; D156-S159 PolarHBondContact O-OG 3.26Å; D156-K160 VanDerWaalsContact O-CB 3.29Å; D156-K160 WeakPolarHBondContact O-CB 3.38Å; D156-K160 VanDerWaalsContact O-CG 3.24Å; D156-K160 WeakPolarHBondContact O-CG 3.37Å; D156-K160 PolarHBondContact O-N 3.03Å; D156-K160 VanDerWaalsContact OD1-CE 3.24Å; D156-K160 WeakPolarHBondContact OD1-CE 3.45Å; D156-K160 IonicContact OD1-NZ 2.68Å; D156-K160 VanDerWaalsContact OD2-CE 3.3Å; D156-K160 WeakPolarHBondContact OD2-CE 3.46Å; D156-K160 IonicContact OD2-NZ 3.25Å; D156-K160 PolarHBondContact OD2-NZ 3.43Å |
| 157 | V | 80.3 | Confident | 75.3 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -46.1 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | I152 D153 E154 K160 L161 | I152-V157 HydrophobicContact CG2-CG2 3.23Å; D153-V157 PolarHBondContact O-N 3.42Å; E154-V157 PolarHBondContact O-N 2.91Å; V157-K160 PolarHBondContact O-N 3.28Å; V157-L161 WeakPolarHBondContact O-CB 3.44Å; V157-L161 PolarHBondContact O-N 3.17Å |
| 158 | Q | 80.5 | Confident | 77.2 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 178.5 | -74.1 | 179.1 | 9.3 | 0 | 0 | 111.6 | E154 L161 V162 | E154-Q158 WeakPolarHBondContact O-CB 3.35Å; E154-Q158 VanDerWaalsContact O-CG 3.24Å; E154-Q158 WeakPolarHBondContact O-CG 3.29Å; E154-Q158 PolarHBondContact O-N 3.45Å; Q158-L161 PolarHBondContact O-N 3.43Å; Q158-V162 WeakPolarHBondContact O-CB 3.5Å; Q158-V162 VanDerWaalsContact O-CG2 3.27Å; Q158-V162 WeakPolarHBondContact O-CG2 3.34Å; Q158-V162 PolarHBondContact O-N 3.18Å |
| 159 | S | 82.8 | Confident | 79 | Confident | 52 Ų | 52 | 99.2 Ų | 99.2 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | S155 D156 L161 V162 D163 | S155-S159 VanDerWaalsContact O-CB 3.27Å; S155-S159 WeakPolarHBondContact O-CB 3.49Å; S155-S159 PolarHBondContact O-N 2.85Å; S155-S159 PolarHBondContact O-OG 3.39Å; D156-S159 WeakPolarHBondContact CA-OG 3.4Å; D156-S159 PolarHBondContact O-OG 3.26Å; S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact O-N 3.18Å; S159-V162 PolarHBondContact O-N 3.23Å; S159-D163 WeakPolarHBondContact O-CB 3.44Å; S159-D163 PolarHBondContact O-N 3.31Å |
| 160 | K | 84.6 | Confident | 80.7 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.2 | -41.9 | 172.6 | -77.2 | 170.9 | 177.1 | 165.4 | 0 | 112.4 | D156 V157 D163 L164 | D156-K160 VanDerWaalsContact O-CB 3.29Å; D156-K160 WeakPolarHBondContact O-CB 3.38Å; D156-K160 VanDerWaalsContact O-CG 3.24Å; D156-K160 WeakPolarHBondContact O-CG 3.37Å; D156-K160 PolarHBondContact O-N 3.03Å; D156-K160 VanDerWaalsContact OD1-CE 3.24Å; D156-K160 WeakPolarHBondContact OD1-CE 3.45Å; D156-K160 IonicContact OD1-NZ 2.68Å; D156-K160 VanDerWaalsContact OD2-CE 3.3Å; D156-K160 WeakPolarHBondContact OD2-CE 3.46Å; D156-K160 IonicContact OD2-NZ 3.25Å; D156-K160 PolarHBondContact OD2-NZ 3.43Å; V157-K160 PolarHBondContact O-N 3.28Å; K160-D163 PolarHBondContact O-N 3.37Å; K160-L164 WeakPolarHBondContact O-CB 3.3Å; K160-L164 PolarHBondContact O-N 2.89Å |
| 161 | L | 88 | Confident | 82.1 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.8 | 179.8 | 60.8 | 0 | 0 | 0 | 111.3 | V157 Q158 S159 D163 L164 L165 | V157-L161 WeakPolarHBondContact O-CB 3.44Å; V157-L161 PolarHBondContact O-N 3.17Å; Q158-L161 PolarHBondContact O-N 3.43Å; S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact O-N 3.18Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 2.66Å; L161-L164 PolarHBondContact O-N 3Å; L161-L165 HydrophobicContact CD1-CD1 4.41Å; L161-L165 HydrophobicContact CD1-CG 4.46Å; L161-L165 HydrophobicContact CG-CD1 4.22Å; L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 3.25Å |
| 162 | V | 89.1 | Confident | 83.8 | Confident | 69 Ų | 69 | 100.5 Ų | 100.5 | 42% | 0.418 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.3 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | Q158 S159 L165 K166 | Q158-V162 WeakPolarHBondContact O-CB 3.5Å; Q158-V162 VanDerWaalsContact O-CG2 3.27Å; Q158-V162 WeakPolarHBondContact O-CG2 3.34Å; Q158-V162 PolarHBondContact O-N 3.18Å; S159-V162 PolarHBondContact O-N 3.23Å; V162-L165 PolarHBondContact O-N 3.42Å; V162-K166 HydrophobicContact CG1-CD 4.16Å; V162-K166 WeakPolarHBondContact O-CB 3.47Å; V162-K166 VanDerWaalsContact O-CG 3.3Å; V162-K166 WeakPolarHBondContact O-CG 3.34Å; V162-K166 PolarHBondContact O-N 2.89Å |
| 163 | D | 91.7 | Very high | 85.3 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 178.6 | -75.4 | -16.3 | 0 | 0 | 0 | 112.2 | S159 K160 L161 K166 N167 | S159-D163 WeakPolarHBondContact O-CB 3.44Å; S159-D163 PolarHBondContact O-N 3.31Å; K160-D163 PolarHBondContact O-N 3.37Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 2.66Å; D163-K166 PolarHBondContact O-N 2.89Å; D163-K166 IonicContact OD1-NZ 3.2Å; D163-N167 WeakPolarHBondContact O-CB 3.44Å; D163-N167 PolarHBondContact O-N 3.31Å |
| 164 | L | 92.1 | Very high | 86.5 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 172.3 | -179.7 | 62.7 | 0 | 0 | 0 | 111.1 | K160 L161 K166 N167 I168 | K160-L164 WeakPolarHBondContact O-CB 3.3Å; K160-L164 PolarHBondContact O-N 2.89Å; L161-L164 PolarHBondContact O-N 3Å; L164-K166 PolarHBondContact O-N 2.94Å; L164-N167 PolarHBondContact O-N 3.46Å; L164-I168 HydrophobicContact CD1-CD1 4.16Å; L164-I168 HydrophobicContact CD1-CG1 4.46Å; L164-I168 HydrophobicContact CG-CD1 3.98Å; L164-I168 WeakPolarHBondContact O-CG1 3.37Å; L164-I168 PolarHBondContact O-N 2.93Å |
| 165 | L | 90.5 | Very high | 87.6 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.4 | -72.3 | 170.1 | 0 | 0 | 0 | 111.3 | L161 V162 N167 I168 T169 | L161-L165 HydrophobicContact CD1-CD1 4.41Å; L161-L165 HydrophobicContact CD1-CG 4.46Å; L161-L165 HydrophobicContact CG-CD1 4.22Å; L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 3.25Å; V162-L165 PolarHBondContact O-N 3.42Å; L165-N167 VanDerWaalsContact C-N 3.3Å; L165-N167 PolarHBondContact O-N 3.07Å; L165-I168 PolarHBondContact O-N 3.47Å; L165-T169 WeakPolarHBondContact O-CB 3.33Å; L165-T169 PolarHBondContact O-N 3.12Å; L165-T169 PolarHBondContact O-OG1 2.84Å |
| 166 | K | 91.8 | Very high | 88.3 | Confident | 130 Ų | 130 | 95.3 Ų | 95.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.8 | -42.1 | 174.7 | -77.5 | 172.7 | -176.9 | 165.6 | 0 | 112.1 | V162 D163 L164 R170 | V162-K166 HydrophobicContact CG1-CD 4.16Å; V162-K166 WeakPolarHBondContact O-CB 3.47Å; V162-K166 VanDerWaalsContact O-CG 3.3Å; V162-K166 WeakPolarHBondContact O-CG 3.34Å; V162-K166 PolarHBondContact O-N 2.89Å; D163-K166 PolarHBondContact O-N 2.89Å; D163-K166 IonicContact OD1-NZ 3.2Å; L164-K166 PolarHBondContact O-N 2.94Å; K166-R170 WeakPolarHBondContact O-CB 3.49Å; K166-R170 PolarHBondContact O-N 3.34Å |
| 167 | N | 91.4 | Very high | 88.5 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | -179.9 | -164.2 | 24.3 | 0 | 0 | 0 | 111.7 | D163 L164 L165 R170 N171 | D163-N167 WeakPolarHBondContact O-CB 3.44Å; D163-N167 PolarHBondContact O-N 3.31Å; L164-N167 PolarHBondContact O-N 3.46Å; L165-N167 VanDerWaalsContact C-N 3.3Å; L165-N167 PolarHBondContact O-N 3.07Å; N167-R170 PolarHBondContact O-N 3.33Å; N167-N171 WeakPolarHBondContact O-CB 3.3Å; N167-N171 PolarHBondContact O-N 3.49Å |
| 168 | I | 92.4 | Very high | 88.6 | Confident | 82 Ų | 82 | 97.4 Ų | 97.4 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 174.9 | -67.1 | 167.1 | 0 | 0 | 0 | 110.4 | L164 L165 R170 N171 M172 | L164-I168 HydrophobicContact CD1-CD1 4.16Å; L164-I168 HydrophobicContact CD1-CG1 4.46Å; L164-I168 HydrophobicContact CG-CD1 3.98Å; L164-I168 WeakPolarHBondContact O-CG1 3.37Å; L164-I168 PolarHBondContact O-N 2.93Å; L165-I168 PolarHBondContact O-N 3.47Å; I168-R170 PolarHBondContact O-N 3.07Å; I168-N171 PolarHBondContact O-N 3.14Å; I168-M172 HydrophobicContact CG2-CG 4.45Å; I168-M172 HydrophobicContact CG2-SD 4.13Å; I168-M172 WeakPolarHBondContact O-CG 3.05Å; I168-M172 PolarHBondContact O-N 3.04Å |
| 169 | T | 90.5 | Very high | 88.7 | Confident | 76 Ų | 76 | 95 Ų | 95 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | L165 M172 I173 | L165-T169 WeakPolarHBondContact O-CB 3.33Å; L165-T169 PolarHBondContact O-N 3.12Å; L165-T169 PolarHBondContact O-OG1 2.84Å; T169-M172 PolarHBondContact O-N 3.26Å; T169-I173 HydrophobicContact CG2-CD1 3.87Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 VanDerWaalsContact O-CG1 3.29Å; T169-I173 WeakPolarHBondContact O-CG1 3.4Å; T169-I173 PolarHBondContact O-N 3.39Å |
| 170 | R | 92.5 | Very high | 88.5 | Confident | 173 Ų | 173 | 98.7 Ų | 98.7 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 175.4 | 179.8 | 176.4 | -74.6 | 159.6 | -3.4 | 111.2 | K166 N167 I168 M172 I173 D174 | K166-R170 WeakPolarHBondContact O-CB 3.49Å; K166-R170 PolarHBondContact O-N 3.34Å; N167-R170 PolarHBondContact O-N 3.33Å; I168-R170 PolarHBondContact O-N 3.07Å; R170-M172 VanDerWaalsContact C-N 3.33Å; R170-M172 PolarHBondContact O-N 3.1Å; R170-I173 PolarHBondContact O-N 3.12Å; R170-D174 WeakPolarHBondContact CG-OD2 3.29Å; R170-D174 PolarHBondContact O-N 3.25Å |
| 171 | N | 89.5 | Confident | 88.1 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 178.5 | -169 | 23.9 | 0 | 0 | 0 | 112.1 | N167 I168 D174 S175 | N167-N171 WeakPolarHBondContact O-CB 3.3Å; N167-N171 PolarHBondContact O-N 3.49Å; I168-N171 PolarHBondContact O-N 3.14Å; N171-D174 PolarHBondContact O-N 3.37Å; N171-S175 VanDerWaalsContact O-CB 3.3Å; N171-S175 WeakPolarHBondContact O-CB 3.28Å; N171-S175 PolarHBondContact O-N 3.37Å |
| 172 | M | 93.9 | Very high | 87 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.4 | -72.4 | -179.3 | 71.7 | 0 | 0 | 112.1 | I168 T169 R170 S175 I176 | I168-M172 HydrophobicContact CG2-CG 4.45Å; I168-M172 HydrophobicContact CG2-SD 4.13Å; I168-M172 WeakPolarHBondContact O-CG 3.05Å; I168-M172 PolarHBondContact O-N 3.04Å; T169-M172 PolarHBondContact O-N 3.26Å; R170-M172 VanDerWaalsContact C-N 3.33Å; R170-M172 PolarHBondContact O-N 3.1Å; M172-S175 PolarHBondContact O-N 3.41Å; M172-I176 WeakPolarHBondContact O-CB 3.24Å; M172-I176 WeakPolarHBondContact O-CD1 3.34Å; M172-I176 WeakPolarHBondContact O-CG1 3.24Å; M172-I176 PolarHBondContact O-N 2.87Å |
| 173 | I | 90.1 | Very high | 85.4 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 178.1 | -69.6 | 166.7 | 0 | 0 | 0 | 110.9 | T169 R170 I176 R177 | T169-I173 HydrophobicContact CG2-CD1 3.87Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 VanDerWaalsContact O-CG1 3.29Å; T169-I173 WeakPolarHBondContact O-CG1 3.4Å; T169-I173 PolarHBondContact O-N 3.39Å; R170-I173 PolarHBondContact O-N 3.12Å; I173-I176 PolarHBondContact O-N 2.79Å; I173-R177 WeakPolarHBondContact O-CB 3.27Å; I173-R177 PolarHBondContact O-N 3.03Å |
| 174 | D | 90 | Very high | 83.6 | Confident | 74 Ų | 74 | 103 Ų | 103 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | -179.7 | -70.9 | -28.7 | 0 | 0 | 0 | 111.6 | R170 N171 R177 A178 | R170-D174 WeakPolarHBondContact CG-OD2 3.29Å; R170-D174 PolarHBondContact O-N 3.25Å; N171-D174 PolarHBondContact O-N 3.37Å; D174-R177 PolarHBondContact O-N 3.13Å; D174-R177 IonicContact OD1-NH1 3.1Å; D174-R177 PolarHBondContact OD1-NH1 3.23Å; D174-A178 WeakPolarHBondContact O-CB 3.27Å; D174-A178 PolarHBondContact O-N 2.9Å |
| 175 | S | 88 | Confident | 81.8 | Confident | 68 Ų | 68 | 101.4 Ų | 101.4 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | N171 M172 R177 A178 V179 | N171-S175 VanDerWaalsContact O-CB 3.3Å; N171-S175 WeakPolarHBondContact O-CB 3.28Å; N171-S175 PolarHBondContact O-N 3.37Å; M172-S175 PolarHBondContact O-N 3.41Å; S175-R177 VanDerWaalsContact C-N 3.34Å; S175-R177 PolarHBondContact O-N 3.29Å; S175-A178 WeakPolarHBondContact O-CB 3.39Å; S175-A178 PolarHBondContact O-N 3.4Å; S175-V179 WeakPolarHBondContact O-CG2 3.46Å; S175-V179 PolarHBondContact O-N 3.49Å |
| 176 | I | 84 | Confident | 79.9 | Confident | 89 Ų | 89 | 105.1 Ų | 105.1 | 46% | 0.456 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.8 | -69.9 | 166.9 | 0 | 0 | 0 | 110.6 | M172 I173 A178 V179 F180 | M172-I176 WeakPolarHBondContact O-CB 3.24Å; M172-I176 WeakPolarHBondContact O-CD1 3.34Å; M172-I176 WeakPolarHBondContact O-CG1 3.24Å; M172-I176 PolarHBondContact O-N 2.87Å; I173-I176 PolarHBondContact O-N 2.79Å; I176-A178 VanDerWaalsContact C-N 3.35Å; I176-A178 PolarHBondContact O-N 3.47Å; I176-V179 WeakPolarHBondContact O-CB 3.2Å; I176-V179 PolarHBondContact O-N 3.14Å; I176-F180 HydrophobicContact CG2-CD2 3.57Å; I176-F180 HydrophobicContact CG2-CE2 3.48Å; I176-F180 VanDerWaalsContact CG2-CE2 3.48Å; I176-F180 WeakPolarHBondContact O-CD2 3.33Å; I176-F180 PolarHBondContact O-N 2.76Å |
| 177 | R | 84.6 | Confident | 77.7 | Confident | 144 Ų | 144 | 106.8 Ų | 106.8 | 54% | 0.543 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.3 | -41.4 | 176.7 | -173.8 | -176.3 | -69.3 | 140.8 | -1.1 | 111.5 | I173 D174 S175 V179 F180 T181 | I173-R177 WeakPolarHBondContact O-CB 3.27Å; I173-R177 PolarHBondContact O-N 3.03Å; D174-R177 PolarHBondContact O-N 3.13Å; D174-R177 IonicContact OD1-NH1 3.1Å; D174-R177 PolarHBondContact OD1-NH1 3.23Å; S175-R177 VanDerWaalsContact C-N 3.34Å; S175-R177 PolarHBondContact O-N 3.29Å; R177-V179 VanDerWaalsContact C-N 3.3Å; R177-V179 PolarHBondContact O-N 3.34Å; R177-F180 PolarHBondContact O-N 3.14Å; R177-T181 HydrophobicContact CG-CG2 4.04Å; R177-T181 WeakPolarHBondContact O-CB 3.37Å; R177-T181 WeakPolarHBondContact O-CG2 3.37Å; R177-T181 PolarHBondContact O-N 3.36Å; R177-T181 PolarHBondContact O-OG1 3.45Å |
| 178 | A | 83 | Confident | 75.6 | Confident | 45 Ų | 45 | 106.8 Ų | 106.8 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D174 S175 I176 F180 T181 N182 | D174-A178 WeakPolarHBondContact O-CB 3.27Å; D174-A178 PolarHBondContact O-N 2.9Å; S175-A178 WeakPolarHBondContact O-CB 3.39Å; S175-A178 PolarHBondContact O-N 3.4Å; I176-A178 VanDerWaalsContact C-N 3.35Å; I176-A178 PolarHBondContact O-N 3.47Å; A178-F180 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 3.03Å; A178-T181 WeakPolarHBondContact CA-OG1 3.42Å; A178-T181 PolarHBondContact O-OG1 3.5Å; A178-N182 VanDerWaalsContact O-CG 3.31Å; A178-N182 PolarHBondContact O-N 3.05Å; A178-N182 PolarHBondContact O-ND2 3.02Å |
| 179 | V | 82.7 | Confident | 73.2 | Confident | 74 Ų | 74 | 112.2 Ų | 112.2 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -38.8 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | S175 I176 R177 Q183 | S175-V179 WeakPolarHBondContact O-CG2 3.46Å; S175-V179 PolarHBondContact O-N 3.49Å; I176-V179 WeakPolarHBondContact O-CB 3.2Å; I176-V179 PolarHBondContact O-N 3.14Å; R177-V179 VanDerWaalsContact C-N 3.3Å; R177-V179 PolarHBondContact O-N 3.34Å; V179-Q183 WeakPolarHBondContact O-CG 3.46Å; V179-Q183 PolarHBondContact O-NE2 2.99Å |
| 180 | F | 77.5 | Confident | 70.9 | Confident | 129 Ų | 129 | 112.8 Ų | 112.8 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -84.5 | -33.4 | -179.1 | -74.1 | -65.8 | 0 | 0 | 0 | 114.4 | I176 R177 A178 N182 Q183 E184 | I176-F180 HydrophobicContact CG2-CD2 3.57Å; I176-F180 HydrophobicContact CG2-CE2 3.48Å; I176-F180 VanDerWaalsContact CG2-CE2 3.48Å; I176-F180 WeakPolarHBondContact O-CD2 3.33Å; I176-F180 PolarHBondContact O-N 2.76Å; R177-F180 PolarHBondContact O-N 3.14Å; A178-F180 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 3.03Å; F180-N182 VanDerWaalsContact C-N 3.3Å; F180-N182 PolarHBondContact O-N 3.39Å; F180-Q183 PolarHBondContact O-N 2.91Å; F180-Q183 VanDerWaalsContact O-N 3.1Å; F180-E184 PolarHBondContact O-N 3.05Å |
| 181 | T | 76.8 | Confident | 68.6 | Low | 80 Ų | 80 | 107.8 Ų | 107.8 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.2 | -32.3 | 175.5 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | R177 A178 Q183 | R177-T181 HydrophobicContact CG-CG2 4.04Å; R177-T181 WeakPolarHBondContact O-CB 3.37Å; R177-T181 WeakPolarHBondContact O-CG2 3.37Å; R177-T181 PolarHBondContact O-N 3.36Å; R177-T181 PolarHBondContact O-OG1 3.45Å; A178-T181 WeakPolarHBondContact CA-OG1 3.42Å; A178-T181 PolarHBondContact O-OG1 3.5Å; T181-Q183 VanDerWaalsContact C-N 3.3Å |
| 182 | N | 64.8 | Low | 66.3 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -19.6 | 171.8 | -66.5 | -31.2 | 0 | 0 | 0 | 113 | A178 F180 | A178-N182 VanDerWaalsContact O-CG 3.31Å; A178-N182 PolarHBondContact O-N 3.05Å; A178-N182 PolarHBondContact O-ND2 3.02Å; F180-N182 VanDerWaalsContact C-N 3.3Å; F180-N182 PolarHBondContact O-N 3.39Å |
| 183 | Q | 55.6 | Low | 64.1 | Low | 97 Ų | 97 | 109 Ų | 109 | 45% | 0.453 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -21.7 | 177.9 | -79.6 | 174.9 | 66.2 | 0 | 0 | 113.5 | V179 F180 T181 G185 E186 | V179-Q183 WeakPolarHBondContact O-CG 3.46Å; V179-Q183 PolarHBondContact O-NE2 2.99Å; F180-Q183 PolarHBondContact O-N 2.91Å; F180-Q183 VanDerWaalsContact O-N 3.1Å; T181-Q183 VanDerWaalsContact C-N 3.3Å; Q183-G185 PolarHBondContact O-N 3.32Å; Q183-G185 VanDerWaalsContact O-N 3.11Å; Q183-E186 PolarHBondContact O-N 3.34Å |
| 184 | E | 53.9 | Low | 62 | Low | 179 Ų | 179 | 114.5 Ų | 114.5 | 84% | 0.836 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -6.4 | 178 | -146.9 | 169.8 | -165.8 | 0 | 0 | 112.9 | F180 | F180-E184 PolarHBondContact O-N 3.05Š|
| 185 | G | 54.3 | Low | 59.6 | Low | 67 Ų | 67 | 119.8 Ų | 119.8 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -6.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q183 | Q183-G185 PolarHBondContact O-N 3.32Å; Q183-G185 VanDerWaalsContact O-N 3.11Å |
| 186 | E | 50.3 | Low | 57.5 | Low | 172 Ų | 172 | 122 Ų | 122 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | -123.4 | 47.9 | -175 | -64.6 | -161.6 | 170.2 | 0 | 0 | 112.8 | Q183 | Q183-E186 PolarHBondContact O-N 3.34Š| ||
| 187 | E | 45 | Very low | 55.5 | Low | 165 Ų | 165 | 123.8 Ų | 123.8 | 77% | 0.771 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -123.4 | 105.8 | 153.9 | -67 | -166.8 | -173.2 | 0 | 0 | 109.6 | ||
| 188 | S | 48.8 | Very low | 53.4 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | 79.5 | 61.2 | 150.1 | -46 | 0 | 0 | 0 | 0 | 118.6 | S190 | S188-S190 VanDerWaalsContact CA-N 3.34Å; S188-S190 PolarHBondContact O-N 3.23Å | ||
| 189 | E | 40.6 | Very low | 51.6 | Low | 196 Ų | 196 | 128.9 Ų | 128.9 | 92% | 0.916 | 70% | 0.696 | S | S | * | * | -86.7 | 47.7 | 127.9 | -143.5 | 178.9 | -175.7 | 0 | 0 | 109.3 | A191 | E189-A191 PolarHBondContact O-N 2.97Š| |||
| 190 | S | 43.4 | Very low | 49.6 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | trans | -62.4 | 77.6 | 142.3 | 155.2 | 0 | 0 | 0 | 0 | 104.9 | S188 L192 | S188-S190 VanDerWaalsContact CA-N 3.34Å; S188-S190 PolarHBondContact O-N 3.23Å; S190-L192 PolarHBondContact O-N 3.38Å | ||
| 191 | A | 43 | Very low | 47.8 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 56% | 0.562 | 73% | 0.726 | S | S | * | * | trans | -56.3 | 88.7 | 161 | 0 | 0 | 0 | 0 | 0 | 105.9 | E189 A193 | E189-A191 PolarHBondContact O-N 2.97Å; A191-A193 HydrophobicContact CB-CB 4.02Å; A191-A193 PolarHBondContact O-N 2.98Å | ||
| 192 | L | 42.8 | Very low | 46.2 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | trans | -63.6 | 60.3 | 152.8 | -158.3 | 141.3 | 0 | 0 | 0 | 106.2 | S190 | S190-L192 PolarHBondContact O-N 3.38Š| ||
| 193 | A | 47.7 | Very low | 45.2 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -130.5 | 52.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | A191 | A191-A193 HydrophobicContact CB-CB 4.02Å; A191-A193 PolarHBondContact O-N 2.98Å | ||
| 194 | K | 45.3 | Very low | 44.5 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -177.4 | 78.5 | 163.5 | -111 | 174.1 | 177.9 | 179.7 | 0 | 108.5 | ||
| 195 | E | 40.6 | Very low | 43.9 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 179.4 | 23.1 | 136.8 | -127.8 | 177.7 | 163.8 | 0 | 0 | 114.8 | N197 | E195-N197 PolarHBondContact O-N 3.25Š| ||
| 196 | T | 42.2 | Very low | 43.3 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -86.3 | 100.1 | 147.4 | 53.6 | 0 | 0 | 0 | 0 | 106.6 | D198 | T196-D198 PolarHBondContact O-N 2.7Å; T196-D198 PolarHBondContact OG1-OD2 3.29Å | ||
| 197 | N | 42.9 | Very low | 42.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | -65.5 | 66.3 | 170.1 | -147.9 | -18.9 | 0 | 0 | 0 | 107.8 | E195 E199 | E195-N197 PolarHBondContact O-N 3.25Å; N197-E199 PolarHBondContact O-N 2.76Å | ||
| 198 | D | 40.6 | Very low | 42.8 | Very low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 29.2 | 175.7 | -80.2 | -40.5 | 0 | 0 | 0 | 111.7 | T196 | T196-D198 PolarHBondContact O-N 2.7Å; T196-D198 PolarHBondContact OG1-OD2 3.29Å |
| 199 | E | 45.8 | Very low | 42.6 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 10.3 | 171.4 | -55.7 | -161.1 | 137.6 | 0 | 0 | 112.6 | N197 | N197-E199 PolarHBondContact O-N 2.76Š|
| 200 | Q | 40.5 | Very low | 42.6 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -115.1 | 15.3 | 174.4 | -74.2 | -162.3 | -18.9 | 0 | 0 | 116.3 | Q202 | Q200-Q202 VanDerWaalsContact C-N 3.34Š| ||
| 201 | E | 39.6 | Very low | 42.6 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -87.2 | 2.7 | 162.9 | -76.7 | -157 | 139.5 | 0 | 0 | 114.3 | ||
| 202 | Q | 43.1 | Very low | 42.4 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -102.7 | 88.6 | 157.5 | -77.5 | -176.5 | 44.8 | 0 | 0 | 108.2 | Q200 | Q200-Q202 VanDerWaalsContact C-N 3.34Š|
| 203 | L | 42.4 | Very low | 42.3 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 164.2 | 55.3 | 149 | -84.8 | 162.3 | 0 | 0 | 0 | 109.9 | P205 | L203-P205 VanDerWaalsContact C-CD 3.46Å; L203-P205 VanDerWaalsContact O-CD 3.29Å; L203-P205 WeakPolarHBondContact O-CD 3.24Å | ||
| 204 | I | 42.2 | Very low | 41.8 | Very low | 164 Ų | 164 | 156 Ų | 156 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -101.7 | 92.7 | 147.5 | -53.9 | -176.8 | 0 | 0 | 0 | 106 | N206 | I204-N206 PolarHBondContact O-N 2.95Š| ||
| 205 | P | 40.3 | Very low | 41.7 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | trans | -57.6 | 131.9 | 170 | 24 | -31.3 | 0 | 0 | 0 | 108.6 | L203 S207 | L203-P205 VanDerWaalsContact C-CD 3.46Å; L203-P205 VanDerWaalsContact O-CD 3.29Å; L203-P205 WeakPolarHBondContact O-CD 3.24Å; P205-S207 PolarHBondContact O-N 2.67Å | ||
| 206 | N | 41.8 | Very low | 42.3 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -52.2 | 92.6 | 169.2 | -175.8 | -0.5 | 0 | 0 | 0 | 110.9 | I204 | I204-N206 PolarHBondContact O-N 2.95Š| ||
| 207 | S | 42.3 | Very low | 42.7 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -148.5 | 73.9 | 163.8 | 57.1 | 0 | 0 | 0 | 0 | 109.7 | P205 E209 | P205-S207 PolarHBondContact O-N 2.67Å; S207-E209 PolarHBondContact O-N 3.42Å | ||
| 208 | R | 44 | Very low | 42.6 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | 25.6 | 51.6 | 118.1 | -147.5 | 179.7 | -173 | 175 | 2 | 117.4 | |||||
| 209 | E | 44.3 | Very low | 42.5 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -132.7 | 89.6 | 171.8 | -74.2 | -172.1 | 172 | 0 | 0 | 110.2 | S207 F211 | S207-E209 PolarHBondContact O-N 3.42Å; E209-F211 PolarHBondContact O-N 3.29Å | ||
| 210 | Q | 40.5 | Very low | 42 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | 35.7 | 85.4 | 134.5 | -55.8 | 177.4 | 34.2 | 0 | 0 | 116.2 | E212 | Q210-E212 PolarHBondContact O-N 3.07Š| ||
| 211 | F | 43.7 | Very low | 41.8 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | trans | -91.8 | 89.5 | 148.9 | -75.6 | -99.4 | 0 | 0 | 0 | 107 | E209 I213 L221 | E209-F211 PolarHBondContact O-N 3.29Å; F211-I213 PolarHBondContact O-N 2.81Å; F211-L221 HydrophobicContact CB-CD1 4.11Å; F211-L221 HydrophobicContact CD1-CD1 3.49Å; F211-L221 VanDerWaalsContact CD1-CD1 3.49Å; F211-L221 HydrophobicContact CD1-CD2 3.28Å; F211-L221 HydrophobicContact CD1-CG 3.96Å; F211-L221 HydrophobicContact CE1-CD1 4.36Å; F211-L221 HydrophobicContact CE1-CD2 3.31Å; F211-L221 HydrophobicContact CE1-CG 4.38Å; F211-L221 HydrophobicContact CG-CD1 4.23Å; F211-L221 HydrophobicContact CG-CD2 4.32Å; F211-L221 HydrophobicContact CZ-CD2 4.36Å | ||
| 212 | E | 37.5 | Very low | 42 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 51% | 0.514 | 76% | 0.761 | S | S | . | * | trans | -63.9 | 96.9 | 169 | -175.7 | 175.6 | 178.9 | 0 | 0 | 108.4 | Q210 R214 | Q210-E212 PolarHBondContact O-N 3.07Å; E212-R214 HydrophobicContact CG-CG 4.14Å; E212-R214 PolarHBondContact O-N 3.14Å; E212-R214 WeakPolarHBondContact OE1-CD 3.36Å; E212-R214 IonicContact OE1-CZ 3.83Å; E212-R214 IonicContact OE1-NE 2.66Å; E212-R214 PolarHBondContact OE1-NE 3.02Å; E212-R214 IonicContact OE1-NH1 3.55Å; E212-R214 PolarHBondContact OE1-NH1 2.87Å | ||
| 213 | I | 41.1 | Very low | 42 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -83.8 | 94.9 | 168.6 | -56.6 | 170.6 | 0 | 0 | 0 | 106 | F211 | F211-I213 PolarHBondContact O-N 2.81Š| ||
| 214 | R | 36.9 | Very low | 41.9 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | trans | -99.1 | 125 | 170.3 | -97.4 | -172.8 | 175.8 | 147.8 | -6.5 | 112 | E212 | E212-R214 HydrophobicContact CG-CG 4.14Å; E212-R214 PolarHBondContact O-N 3.14Å; E212-R214 WeakPolarHBondContact OE1-CD 3.36Å; E212-R214 IonicContact OE1-CZ 3.83Å; E212-R214 IonicContact OE1-NE 2.66Å; E212-R214 PolarHBondContact OE1-NE 3.02Å; E212-R214 IonicContact OE1-NH1 3.55Å; E212-R214 PolarHBondContact OE1-NH1 2.87Å | ||
| 215 | T | 43.4 | Very low | 41.9 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -58.3 | 140.8 | 174.7 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | G217 | T215-G217 PolarHBondContact O-N 2.89Š| ||
| 216 | D | 52.3 | Low | 42 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 42.6 | 65.4 | 153.2 | -50.2 | -23 | 0 | 0 | 0 | 116 | ||
| 217 | G | 52.2 | Low | 42 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 154.3 | 77.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T215 | T215-G217 PolarHBondContact O-N 2.89Š|
| 218 | H | 41 | Very low | 42 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 75.5 | 99.7 | -178.4 | -65.5 | -70.4 | 0 | 0 | 0 | 116.2 | ||||
| 219 | S | 38 | Very low | 41.9 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -63 | 129.5 | 159.3 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 220 | F | 35.3 | Very low | 41.7 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 112.3 | 150.2 | -93.2 | -79.3 | 0 | 0 | 0 | 108.4 | ||||
| 221 | L | 36.6 | Very low | 41.8 | Very low | 94 Ų | 94 | 144 Ų | 144 | 49% | 0.492 | 76% | 0.757 | S | S | . | * | trans | -137.6 | 121.4 | 160.7 | -118.7 | 159.3 | 0 | 0 | 0 | 105.9 | F211 | F211-L221 HydrophobicContact CB-CD1 4.11Å; F211-L221 HydrophobicContact CD1-CD1 3.49Å; F211-L221 VanDerWaalsContact CD1-CD1 3.49Å; F211-L221 HydrophobicContact CD1-CD2 3.28Å; F211-L221 HydrophobicContact CD1-CG 3.96Å; F211-L221 HydrophobicContact CE1-CD1 4.36Å; F211-L221 HydrophobicContact CE1-CD2 3.31Å; F211-L221 HydrophobicContact CE1-CG 4.38Å; F211-L221 HydrophobicContact CG-CD1 4.23Å; F211-L221 HydrophobicContact CG-CD2 4.32Å; F211-L221 HydrophobicContact CZ-CD2 4.36Å | ||
| 222 | V | 43.6 | Very low | 41.6 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 100% | 1.224 | 76% | 0.764 | S | S | * | * | trans | -70.9 | 0 | -171.7 | 173.8 | 0 | 0 | 0 | 0 | 111 |
Retrieved 222 of 222 residues in 71.3 ms
(Link to these results)