| 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 | Y | 36.9 | Very low | 39.9 | Very low | 286 Ų | 286 | 153.6 Ų | 153.6 | 100% | 1.122 | 77% | 0.774 | S | S | * | * | 0 | 97.4 | 0 | -87.2 | -99.8 | 0 | 0 | 0 | 106.8 | |||||
| 2 | C | 34.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 158.1 Ų | 158.1 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | 63.6 | 122.8 | 72.3 | -158.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3 | G | 37.5 | Very low | 39.7 | Very low | 59 Ų | 59 | 159.5 Ų | 159.5 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | cis | -167.5 | 157.6 | 9.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | K | 42.2 | Very low | 41.5 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | 83.8 | 110.6 | 88.5 | -81.4 | -168.4 | 171 | -153.8 | 0 | 112.7 | |||||
| 5 | E | 41.7 | Very low | 41.3 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | 94.2 | 142.6 | 101.8 | -103.2 | -177.2 | 115.1 | 0 | 0 | 110.2 | |||||
| 6 | L | 44.6 | Very low | 40.8 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | cis | -153.4 | 136.8 | 31.8 | -88.7 | 116.5 | 0 | 0 | 0 | 108.5 | ||||
| 7 | S | 41.7 | Very low | 40.6 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | 69.1 | 113.6 | 86.9 | -156.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 8 | N | 35.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | -146.7 | 123.1 | 119 | -139.3 | -21.6 | 0 | 0 | 0 | 111.4 | |||||
| 9 | K | 41 | Very low | 40.8 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 64% | 0.635 | 78% | 0.781 | S | S | * | * | trans | -112.9 | 129.9 | -174.4 | 174.4 | 175.9 | 178.1 | 171.4 | 0 | 105.9 | E11 | K9-E11 WeakPolarHBondContact CE-OE2 3.09Å; K9-E11 IonicContact NZ-OE2 2.7Å; K9-E11 PolarHBondContact NZ-OE2 2.88Å | ||
| 10 | K | 40.2 | Very low | 40.6 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -144.7 | 88.7 | 155.9 | -150.4 | 151.4 | -173.2 | 167.4 | 0 | 110.5 | ||||
| 11 | E | 43.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -54.7 | 140.6 | 154.3 | -85.8 | 173.1 | 92.6 | 0 | 0 | 110.1 | K9 | K9-E11 WeakPolarHBondContact CE-OE2 3.09Å; K9-E11 IonicContact NZ-OE2 2.7Å; K9-E11 PolarHBondContact NZ-OE2 2.88Å | ||
| 12 | K | 38.3 | Very low | 40.7 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 77% | 0.769 | S | S | * | * | trans | -154.5 | 119.8 | 139.2 | -160.7 | 155.7 | -177.5 | 178.4 | 0 | 111.1 | ||||
| 13 | M | 39.3 | Very low | 41 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -150 | 170 | 164.4 | -83.8 | -81.5 | -148.1 | 0 | 0 | 104.5 | ||||
| 14 | P | 65 | Low | 41.2 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -135.5 | 179.8 | -26.3 | 32.1 | -11.3 | 0 | 0 | 0 | 112.1 | ||||
| 15 | A | 37.3 | Very low | 41.8 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | 175 | 110.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 16 | D | 34.4 | Very low | 41.8 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 69.4 | 143.1 | 70.4 | -134.8 | -49.5 | 0 | 0 | 0 | 114.8 | |||||
| 17 | M | 36.8 | Very low | 41.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | 99.2 | 96.6 | 160.4 | -47.9 | -173.9 | 73.6 | 0 | 0 | 120.8 | ||||
| 18 | M | 43.8 | Very low | 41.8 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | 65.2 | 118.3 | 116.8 | -59.7 | 164.2 | -153.9 | 0 | 0 | 121.4 | |||||
| 19 | E | 41 | Very low | 42.1 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 59.3 | 109.5 | 123 | -155.5 | 177.6 | 133.1 | 0 | 0 | 119.6 | |||||
| 20 | K | 37.5 | Very low | 42.5 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -151.5 | 97.5 | 133.6 | -157.7 | 134.8 | -179.1 | 175.5 | 0 | 112.6 | ||||
| 21 | S | 42.2 | Very low | 42.5 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -49.1 | 127.9 | 151.2 | -47 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 22 | S | 37.6 | Very low | 42.1 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -139.4 | 96.5 | 158.9 | -165.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 23 | S | 39.8 | Very low | 42.5 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -107.7 | 122.9 | 160.6 | -72.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 24 | S | 42.2 | Very low | 42.6 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -170.8 | 159.9 | 144.9 | -98.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 25 | P | 53.9 | Low | 41.6 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -111.3 | 165.6 | -130.9 | 40.5 | -34.6 | 0 | 0 | 0 | 112.8 | ||||
| 26 | V | 41.8 | Very low | 42 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -141.8 | 120.3 | 146.1 | 91.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | A | 46.8 | Very low | 42.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 129.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 28 | A | 39.7 | Very low | 43.2 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -168.7 | 98.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 29 | T | 41.3 | Very low | 43.4 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -92.5 | 163.7 | 149.5 | 6.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 30 | P | 50.8 | Low | 43.7 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | cis | -142.2 | 174.1 | 22.2 | 33.5 | -9.8 | 0 | 0 | 0 | 117.8 | ||||
| 31 | A | 39.8 | Very low | 44.5 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 64.7 | 116.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 32 | S | 34.6 | Very low | 45.1 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | 164.4 | 135.3 | 93.6 | -158.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 33 | M | 47.1 | Very low | 45.9 | Very low | 170 Ų | 170 | 123.2 Ų | 123.2 | 84% | 0.837 | 77% | 0.766 | S | S | * | * | trans | 28.8 | 115.4 | 153.2 | 68.4 | -154.2 | 174.8 | 0 | 0 | 119.5 | ||||
| 34 | N | 40.4 | Very low | 46.5 | Very low | 152 Ų | 152 | 121 Ų | 121 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | 165.4 | 98.6 | 106.4 | -150.9 | 29 | 0 | 0 | 0 | 110.6 | |||||
| 35 | T | 43.8 | Very low | 46.9 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -137.2 | 109.1 | 158.8 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 36 | T | 47.2 | Very low | 46.8 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | trans | -30 | 141.9 | 168.1 | 47.5 | 0 | 0 | 0 | 0 | 116.7 | D38 | T36-D38 PolarHBondContact O-N 3.29Š| ||
| 37 | P | 51 | Low | 47.5 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 84% | 0.844 | 73% | 0.729 | S | S | * | * | trans | -87.6 | 92.1 | 173.3 | 34 | -28.3 | 0 | 0 | 0 | 110.5 | ||||
| 38 | D | 44.5 | Very low | 47.9 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -156.3 | 94.7 | 170.2 | -148.7 | -65.8 | 0 | 0 | 0 | 113.2 | T36 | T36-D38 PolarHBondContact O-N 3.29Š| ||
| 39 | K | 47.2 | Very low | 48.8 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 68% | 0.683 | 70% | 0.7 | S | S | * | * | trans | 175.2 | 115.1 | 132.4 | -135.5 | 91.2 | 163.4 | -171.5 | 0 | 111.5 | K41 | K39-K41 VanDerWaalsContact C-N 3.35Å; K39-K41 HydrophobicContact CG-CG 3.98Å; K39-K41 PolarHBondContact O-N 3.43Å | ||
| 40 | P | 47.4 | Very low | 49.8 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | -81 | 83.3 | 154 | 31.1 | -28.5 | 0 | 0 | 0 | 109 | ||||
| 41 | K | 56.2 | Low | 50.9 | Low | 168 Ų | 168 | 124.3 Ų | 124.3 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | trans | -79.8 | 106.7 | 148.5 | -63.3 | 179.1 | -176.8 | 174.9 | 0 | 103.2 | K39 | K39-K41 VanDerWaalsContact C-N 3.35Å; K39-K41 HydrophobicContact CG-CG 3.98Å; K39-K41 PolarHBondContact O-N 3.43Å | ||
| 42 | T | 54.6 | Low | 52.8 | Low | 78 Ų | 78 | 123.5 Ų | 123.5 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | -173.1 | 24.3 | 90.4 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | S44 E45 H46 | T42-S44 PolarHBondContact O-N 3.12Å; T42-E45 HydrophobicContact CG2-CB 4.46Å; T42-E45 VanDerWaalsContact CG2-OE2 3.25Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.26Å; T42-E45 PolarHBondContact O-N 3.43Å; T42-E45 VanDerWaalsContact O-N 3.16Å; T42-H46 PolarHBondContact O-N 3.14Å; T42-H46 VanDerWaalsContact O-N 3.13Å | |||
| 43 | A | 52.6 | Low | 55.2 | Low | 75 Ų | 75 | 123.1 Ų | 123.1 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62.4 | -32.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R47 | A43-R47 PolarHBondContact O-N 3.01Å |
| 44 | S | 52.6 | Low | 57.2 | Low | 70 Ų | 70 | 120.2 Ų | 120.2 | 49% | 0.49 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.9 | -28.2 | 176 | 88.8 | 0 | 0 | 0 | 0 | 113 | T42 K48 | T42-S44 PolarHBondContact O-N 3.12Å; S44-K48 WeakPolarHBondContact O-CB 3.46Å; S44-K48 WeakPolarHBondContact O-CD 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.29Å; S44-K48 PolarHBondContact O-N 3.35Å; S44-K48 VanDerWaalsContact O-N 3.15Å; S44-K48 PolarHBondContact OG-NZ 3.48Å |
| 45 | E | 51.6 | Low | 59.6 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.6 | -36.8 | -179.7 | -161.9 | 170.3 | -173.4 | 0 | 0 | 111.1 | T42 R47 K48 S49 | T42-E45 HydrophobicContact CG2-CB 4.46Å; T42-E45 VanDerWaalsContact CG2-OE2 3.25Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.26Å; T42-E45 PolarHBondContact O-N 3.43Å; T42-E45 VanDerWaalsContact O-N 3.16Å; E45-R47 PolarHBondContact O-N 3.37Å; E45-K48 PolarHBondContact O-N 2.98Å; E45-S49 WeakPolarHBondContact O-CB 3.35Å; E45-S49 PolarHBondContact O-N 3.45Å; E45-S49 PolarHBondContact O-OG 3.02Å |
| 46 | H | 52.5 | Low | 62 | Low | 141 Ų | 141 | 116.1 Ų | 116.1 | 65% | 0.653 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -35.9 | 173 | -157 | 81.4 | 0 | 0 | 0 | 112.7 | T42 S49 S50 | T42-H46 PolarHBondContact O-N 3.14Å; T42-H46 VanDerWaalsContact O-N 3.13Å; H46-S49 PolarHBondContact O-OG 3.36Å; H46-S50 WeakPolarHBondContact O-CB 3.4Å; H46-S50 PolarHBondContact O-N 2.93Å |
| 47 | R | 55.8 | Low | 64.2 | Low | 204 Ų | 204 | 118.1 Ų | 118.1 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.9 | -29.3 | 173.7 | -70.9 | -175.1 | -179 | -176.6 | 1.5 | 113.1 | A43 E45 | A43-R47 PolarHBondContact O-N 3.01Å; E45-R47 PolarHBondContact O-N 3.37Å |
| 48 | K | 55.1 | Low | 66.3 | Low | 153 Ų | 153 | 116.9 Ų | 116.9 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -78.3 | -31.6 | 176.5 | -69.3 | 161.2 | -171.7 | 173.5 | 0 | 112.3 | S44 E45 P52 | S44-K48 WeakPolarHBondContact O-CB 3.46Å; S44-K48 WeakPolarHBondContact O-CD 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.29Å; S44-K48 PolarHBondContact O-N 3.35Å; S44-K48 VanDerWaalsContact O-N 3.15Å; S44-K48 PolarHBondContact OG-NZ 3.48Å; E45-K48 PolarHBondContact O-N 2.98Å; K48-P52 VanDerWaalsContact O-CD 3.3Å; K48-P52 WeakPolarHBondContact O-CD 3.35Å |
| 49 | S | 58.8 | Low | 68.8 | Low | 58 Ų | 58 | 116.8 Ų | 116.8 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -93.2 | -15.6 | 179.1 | 61.6 | 0 | 0 | 0 | 0 | 115 | E45 H46 P52 I53 | E45-S49 WeakPolarHBondContact O-CB 3.35Å; E45-S49 PolarHBondContact O-N 3.45Å; E45-S49 PolarHBondContact O-OG 3.02Å; H46-S49 PolarHBondContact O-OG 3.36Å; S49-P52 VanDerWaalsContact C-CD 3.47Å; S49-P52 WeakPolarHBondContact O-CD 3.38Å; S49-P52 WeakPolarHBondContact O-CG 3.2Å; S49-I53 WeakPolarHBondContact O-CG2 3.38Å; S49-I53 PolarHBondContact O-N 3.15Å |
| 50 | S | 62.3 | Low | 71.2 | Confident | 54 Ų | 54 | 112.1 Ų | 112.1 | 38% | 0.378 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.4 | -35.7 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 113.7 | H46 I53 M54 | H46-S50 WeakPolarHBondContact O-CB 3.4Å; H46-S50 PolarHBondContact O-N 2.93Å; S50-I53 WeakPolarHBondContact O-CG2 3.49Å; S50-M54 VanDerWaalsContact O-CG 3.26Å; S50-M54 WeakPolarHBondContact O-CG 3.37Å; S50-M54 PolarHBondContact O-N 3.46Å; S50-M54 VanDerWaalsContact O-N 3.14Å |
| 51 | K | 73.2 | Confident | 73.5 | Confident | 172 Ų | 172 | 114.3 Ų | 114.3 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.3 | -49.7 | 175.1 | -65.7 | -177.9 | 179.2 | -178.1 | 0 | 112.9 | I53 M54 E55 | K51-I53 VanDerWaalsContact C-N 3.35Å; K51-I53 PolarHBondContact O-N 3.05Å; K51-M54 PolarHBondContact O-N 2.89Å; K51-E55 WeakPolarHBondContact O-CB 3.49Å; K51-E55 PolarHBondContact O-N 3.09Å |
| 52 | P | 81.1 | Confident | 75.5 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -29.5 | 178.8 | 21.3 | -31 | 0 | 0 | 0 | 114.1 | K48 S49 K56 | K48-P52 VanDerWaalsContact O-CD 3.3Å; K48-P52 WeakPolarHBondContact O-CD 3.35Å; S49-P52 VanDerWaalsContact C-CD 3.47Å; S49-P52 WeakPolarHBondContact O-CD 3.38Å; S49-P52 WeakPolarHBondContact O-CG 3.2Å; P52-K56 WeakPolarHBondContact O-CB 3.24Å; P52-K56 PolarHBondContact O-N 3.13Å |
| 53 | I | 83.8 | Confident | 77.4 | Confident | 86 Ų | 86 | 109.3 Ų | 109.3 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71 | -39 | 174.3 | -171.5 | 169.8 | 0 | 0 | 0 | 112.4 | S49 S50 K51 E55 K56 R57 | S49-I53 WeakPolarHBondContact O-CG2 3.38Å; S49-I53 PolarHBondContact O-N 3.15Å; S50-I53 WeakPolarHBondContact O-CG2 3.49Å; K51-I53 VanDerWaalsContact C-N 3.35Å; K51-I53 PolarHBondContact O-N 3.05Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-K56 PolarHBondContact O-N 2.88Å; I53-R57 WeakPolarHBondContact O-CG 3.45Å; I53-R57 PolarHBondContact O-N 3.48Å |
| 54 | M | 88.6 | Confident | 79.6 | Confident | 109 Ų | 109 | 111.8 Ų | 111.8 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175 | -71.1 | -59.7 | -67 | 0 | 0 | 111.5 | S50 K51 R57 R58 | S50-M54 VanDerWaalsContact O-CG 3.26Å; S50-M54 WeakPolarHBondContact O-CG 3.37Å; S50-M54 PolarHBondContact O-N 3.46Å; S50-M54 VanDerWaalsContact O-N 3.14Å; K51-M54 PolarHBondContact O-N 2.89Å; M54-R57 PolarHBondContact O-N 3.02Å; M54-R58 PolarHBondContact O-N 2.97Å |
| 55 | E | 92.1 | Very high | 81.7 | Confident | 44 Ų | 44 | 111.4 Ų | 111.4 | 21% | 0.206 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174.7 | 177.3 | 55.6 | -160.1 | 0 | 0 | 112.1 | K51 I53 R57 R58 R59 W289 | K51-E55 WeakPolarHBondContact O-CB 3.49Å; K51-E55 PolarHBondContact O-N 3.09Å; I53-E55 VanDerWaalsContact C-N 3.33Å; E55-R57 VanDerWaalsContact C-N 3.27Å; E55-R57 PolarHBondContact O-N 3.13Å; E55-R58 PolarHBondContact O-N 3.25Å; E55-R59 WeakPolarHBondContact O-CG 3.46Å; E55-R59 PolarHBondContact O-N 2.91Å; E55-R59 IonicContact OE1-CZ 3.99Å; E55-R59 IonicContact OE1-NE 3.25Å; E55-R59 PolarHBondContact OE1-NE 3.44Å; E55-R59 IonicContact OE1-NH2 3.39Å; E55-R59 PolarHBondContact OE1-NH2 3.49Å; E55-W289 VanDerWaalsContact OE1-CE3 3.25Å; E55-W289 WeakPolarHBondContact OE1-CZ3 3.39Å; E55-W289 WeakPolarHBondContact OE2-CH2 2.92Å; E55-W289 WeakPolarHBondContact OE2-CZ3 2.75Å |
| 56 | K | 92.9 | Very high | 83.8 | Confident | 160 Ų | 160 | 106.9 Ų | 106.9 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.9 | -42.1 | 175 | -172.9 | 176.3 | -178.8 | 178.8 | 0 | 111.6 | P52 I53 R59 A60 | P52-K56 WeakPolarHBondContact O-CB 3.24Å; P52-K56 PolarHBondContact O-N 3.13Å; I53-K56 PolarHBondContact O-N 2.88Å; K56-R59 PolarHBondContact O-N 3.38Å; K56-A60 PolarHBondContact O-N 2.73Å |
| 57 | R | 93.3 | Very high | 85.8 | Confident | 160 Ų | 160 | 101.7 Ų | 101.7 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 176.5 | -74.7 | 178.7 | 177.8 | -174.2 | -0.9 | 112.4 | I53 M54 E55 A60 R61 | I53-R57 WeakPolarHBondContact O-CG 3.45Å; I53-R57 PolarHBondContact O-N 3.48Å; M54-R57 PolarHBondContact O-N 3.02Å; E55-R57 VanDerWaalsContact C-N 3.27Å; E55-R57 PolarHBondContact O-N 3.13Å; R57-A60 PolarHBondContact O-N 3.28Å; R57-R61 WeakPolarHBondContact O-CG 3.35Å; R57-R61 PolarHBondContact O-N 2.91Å; R57-R61 VanDerWaalsContact O-N 3.09Å |
| 58 | R | 96.6 | Very high | 87.7 | Confident | 103 Ų | 103 | 97.5 Ų | 97.5 | 39% | 0.389 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 175.7 | -173.8 | -158.1 | 171.7 | -116.7 | 21.1 | 111.5 | M54 E55 A60 R61 I62 W289 | M54-R58 PolarHBondContact O-N 2.97Å; E55-R58 PolarHBondContact O-N 3.25Å; R58-A60 VanDerWaalsContact C-N 3.26Å; R58-A60 PolarHBondContact O-N 2.88Å; R58-R61 WeakPolarHBondContact O-CB 3.41Å; R58-R61 PolarHBondContact O-N 3.47Å; R58-R61 VanDerWaalsContact O-N 3.13Å; R58-I62 HydrophobicContact CG-CD1 3.94Å; R58-I62 HydrophobicContact CG-CG1 4.36Å; R58-I62 WeakPolarHBondContact O-CG1 3.33Å; R58-I62 PolarHBondContact O-N 3.22Å; R58-W289 HydrophobicContact CB-CH2 4.36Å; R58-W289 HydrophobicContact CG-CH2 4.15Å; R58-W289 VanDerWaalsContact CZ-CZ2 3.5Å; R58-W289 VanDerWaalsContact NH1-CH2 3.26Å |
| 59 | R | 96.7 | Very high | 89.7 | Confident | 133 Ų | 133 | 92.5 Ų | 92.5 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 176.8 | -71.9 | -178.5 | -176.2 | -166.7 | -1.9 | 111.8 | E55 K56 I62 N63 | E55-R59 WeakPolarHBondContact O-CG 3.46Å; E55-R59 PolarHBondContact O-N 2.91Å; E55-R59 IonicContact OE1-CZ 3.99Å; E55-R59 IonicContact OE1-NE 3.25Å; E55-R59 PolarHBondContact OE1-NE 3.44Å; E55-R59 IonicContact OE1-NH2 3.39Å; E55-R59 PolarHBondContact OE1-NH2 3.49Å; K56-R59 PolarHBondContact O-N 3.38Å; R59-I62 PolarHBondContact O-N 2.95Å; R59-N63 PolarHBondContact O-N 3.44Å; R59-N63 PolarHBondContact O-ND2 3Å |
| 60 | A | 96.5 | Very high | 91.5 | Very high | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K56 R57 R58 I62 N63 E64 | K56-A60 PolarHBondContact O-N 2.73Å; R57-A60 PolarHBondContact O-N 3.28Å; R58-A60 VanDerWaalsContact C-N 3.26Å; R58-A60 PolarHBondContact O-N 2.88Å; A60-I62 VanDerWaalsContact C-N 3.33Å; A60-I62 PolarHBondContact O-N 3.24Å; A60-N63 PolarHBondContact O-N 2.98Å; A60-E64 WeakPolarHBondContact O-CB 3.41Å; A60-E64 PolarHBondContact O-N 2.84Å |
| 61 | R | 97.6 | Very high | 93 | Very high | 174 Ų | 174 | 93.7 Ų | 93.7 | 66% | 0.657 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.1 | -40.3 | 177.1 | -70.9 | -177.5 | 63.2 | -122.5 | -5.6 | 113.4 | R57 R58 E64 S65 | R57-R61 WeakPolarHBondContact O-CG 3.35Å; R57-R61 PolarHBondContact O-N 2.91Å; R57-R61 VanDerWaalsContact O-N 3.09Å; R58-R61 WeakPolarHBondContact O-CB 3.41Å; R58-R61 PolarHBondContact O-N 3.47Å; R58-R61 VanDerWaalsContact O-N 3.13Å; R61-E64 PolarHBondContact O-N 3.17Å; R61-S65 PolarHBondContact O-N 3.49Å; R61-S65 PolarHBondContact O-OG 3.43Å |
| 62 | I | 96.3 | Very high | 94.1 | Very high | 60 Ų | 60 | 91 Ų | 91 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 177.8 | -70.4 | 170.4 | 0 | 0 | 0 | 111 | R58 R59 A60 E64 S65 L66 | R58-I62 HydrophobicContact CG-CD1 3.94Å; R58-I62 HydrophobicContact CG-CG1 4.36Å; R58-I62 WeakPolarHBondContact O-CG1 3.33Å; R58-I62 PolarHBondContact O-N 3.22Å; R59-I62 PolarHBondContact O-N 2.95Å; A60-I62 VanDerWaalsContact C-N 3.33Å; A60-I62 PolarHBondContact O-N 3.24Å; I62-E64 VanDerWaalsContact C-N 3.32Å; I62-S65 PolarHBondContact O-OG 2.95Å; I62-S65 VanDerWaalsContact O-OG 3.1Å; I62-L66 WeakPolarHBondContact O-CB 3.5Å; I62-L66 PolarHBondContact O-N 3.36Å |
| 63 | N | 96.4 | Very high | 94.7 | Very high | 81 Ų | 81 | 88 Ų | 88 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 179.3 | -69.8 | -25.4 | 0 | 0 | 0 | 111.5 | R59 A60 G67 K89 | R59-N63 PolarHBondContact O-N 3.44Å; R59-N63 PolarHBondContact O-ND2 3Å; A60-N63 PolarHBondContact O-N 2.98Å; N63-G67 PolarHBondContact O-N 2.94Å; N63-K89 PolarHBondContact OD1-NZ 3.12Å |
| 64 | E | 97.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 84.3 Ų | 84.3 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -52.2 | 173.4 | 178.7 | 174.3 | -132 | 0 | 0 | 111.6 | A60 R61 I62 L66 G67 Q68 | A60-E64 WeakPolarHBondContact O-CB 3.41Å; A60-E64 PolarHBondContact O-N 2.84Å; R61-E64 PolarHBondContact O-N 3.17Å; I62-E64 VanDerWaalsContact C-N 3.32Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 2.76Å; E64-G67 PolarHBondContact O-N 3.42Å; E64-G67 VanDerWaalsContact O-N 3.13Å; E64-Q68 WeakPolarHBondContact O-CG 3.48Å; E64-Q68 PolarHBondContact O-N 3.45Å |
| 65 | S | 97.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 85.2 Ų | 85.2 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 179.5 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | R61 I62 Q68 L69 | R61-S65 PolarHBondContact O-N 3.49Å; R61-S65 PolarHBondContact O-OG 3.43Å; I62-S65 PolarHBondContact O-OG 2.95Å; I62-S65 VanDerWaalsContact O-OG 3.1Å; S65-Q68 PolarHBondContact O-N 2.86Å; S65-L69 VanDerWaalsContact O-CB 3.29Å; S65-L69 WeakPolarHBondContact O-CB 3.49Å; S65-L69 PolarHBondContact O-N 3.44Å |
| 66 | L | 96 | Very high | 95.4 | Very high | 28 Ų | 28 | 85.8 Ų | 85.8 | 15% | 0.147 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 175 | -163.7 | 156 | 0 | 0 | 0 | 111.4 | I62 E64 L69 K70 K89 I92 | I62-L66 WeakPolarHBondContact O-CB 3.5Å; I62-L66 PolarHBondContact O-N 3.36Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 2.76Å; L66-L69 PolarHBondContact O-N 2.67Å; L66-K70 PolarHBondContact O-N 3.31Å; L66-K89 HydrophobicContact CD1-CB 4.12Å; L66-K89 HydrophobicContact CD1-CD 4.01Å; L66-K89 HydrophobicContact CD1-CG 3.83Å; L66-K89 HydrophobicContact CD2-CG 4.3Å; L66-I92 HydrophobicContact CD2-CB 4.28Å; L66-I92 HydrophobicContact CD2-CD1 3.39Å; L66-I92 HydrophobicContact CD2-CG1 4.41Å; L66-I92 HydrophobicContact CD2-CG2 4.1Å; L66-I92 HydrophobicContact CG-CG2 4.38Å |
| 67 | G | 95.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 81.9 Ų | 81.9 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N63 E64 L69 K70 T71 | N63-G67 PolarHBondContact O-N 2.94Å; E64-G67 PolarHBondContact O-N 3.42Å; E64-G67 VanDerWaalsContact O-N 3.13Å; G67-L69 VanDerWaalsContact C-N 3.35Å; G67-L69 PolarHBondContact O-N 2.85Å; G67-K70 WeakPolarHBondContact O-CB 3.5Å; G67-K70 PolarHBondContact O-N 3.09Å; G67-T71 PolarHBondContact O-N 3.23Å; G67-T71 PolarHBondContact O-OG1 3.42Å |
| 68 | Q | 96 | Very high | 95 | Very high | 115 Ų | 115 | 83.7 Ų | 83.7 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.2 | -69.9 | 174.2 | -19.6 | 0 | 0 | 111.5 | E64 S65 K70 T71 L72 | E64-Q68 WeakPolarHBondContact O-CG 3.48Å; E64-Q68 PolarHBondContact O-N 3.45Å; S65-Q68 PolarHBondContact O-N 2.86Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 3.49Å; Q68-T71 PolarHBondContact O-N 3.2Å; Q68-L72 WeakPolarHBondContact O-CG 3.37Å; Q68-L72 PolarHBondContact O-N 2.92Å |
| 69 | L | 96.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 83.2 Ų | 83.2 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 179.2 | -175.9 | 60.4 | 0 | 0 | 0 | 111.9 | S65 L66 G67 T71 L72 I73 I92 L93 T96 | S65-L69 VanDerWaalsContact O-CB 3.29Å; S65-L69 WeakPolarHBondContact O-CB 3.49Å; S65-L69 PolarHBondContact O-N 3.44Å; L66-L69 PolarHBondContact O-N 2.67Å; G67-L69 VanDerWaalsContact C-N 3.35Å; G67-L69 PolarHBondContact O-N 2.85Å; L69-T71 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 2.95Å; L69-I73 HydrophobicContact CD1-CG1 4.09Å; L69-I73 HydrophobicContact CG-CG1 4.43Å; L69-I73 WeakPolarHBondContact O-CB 3.49Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 3.32Å; L69-I92 HydrophobicContact CD2-CG2 4.43Å; L69-I92 HydrophobicContact CG-CG2 4.42Å; L69-L93 HydrophobicContact CD2-CD2 4.44Å; L69-T96 HydrophobicContact CD1-CG2 3.75Å; L69-T96 HydrophobicContact CD2-CG2 4.06Å; L69-T96 WeakPolarHBondContact CD2-OG1 3.28Å; L69-T96 HydrophobicContact CG-CG2 4.25Å; L69-T96 VanDerWaalsContact CG-OG1 3.31Å; L69-T96 WeakPolarHBondContact CG-OG1 3.47Å |
| 70 | K | 95.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 81.3 Ų | 81.3 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.6 | -50.4 | 174 | 177.2 | -175.1 | 178 | 172 | 0 | 111.4 | L66 G67 Q68 I73 L74 H84 S85 L87 I92 | L66-K70 PolarHBondContact O-N 3.31Å; G67-K70 WeakPolarHBondContact O-CB 3.5Å; G67-K70 PolarHBondContact O-N 3.09Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 3.49Å; K70-I73 PolarHBondContact O-N 3.28Å; K70-L74 HydrophobicContact CG-CD1 3.88Å; K70-L74 HydrophobicContact CG-CG 4.5Å; K70-L74 VanDerWaalsContact O-CG 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 2.99Å; K70-H84 WeakPolarHBondContact CE-O 3.33Å; K70-H84 PolarHBondContact NZ-O 3.19Å; K70-S85 PolarHBondContact NZ-O 2.72Å; K70-L87 HydrophobicContact CG-CD1 4.25Å; K70-I92 HydrophobicContact CB-CD1 4.04Å; K70-I92 HydrophobicContact CB-CG1 4.2Å; K70-I92 HydrophobicContact CB-CG2 4.13Å; K70-I92 HydrophobicContact CD-CD1 3.93Å; K70-I92 HydrophobicContact CD-CG1 4.46Å; K70-I92 HydrophobicContact CG-CD1 4.18Å; K70-I92 HydrophobicContact CG-CG1 4.26Å |
| 71 | T | 94.8 | Very high | 93.4 | Very high | 95 Ų | 95 | 82.6 Ų | 82.6 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.1 | -49.2 | -178.9 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | G67 Q68 L69 I73 L74 D75 | G67-T71 PolarHBondContact O-N 3.23Å; G67-T71 PolarHBondContact O-OG1 3.42Å; Q68-T71 PolarHBondContact O-N 3.2Å; L69-T71 PolarHBondContact O-N 3.4Å; T71-I73 VanDerWaalsContact C-N 3.32Å; T71-I73 PolarHBondContact O-N 3.18Å; T71-L74 PolarHBondContact O-N 2.85Å; T71-D75 WeakPolarHBondContact O-CB 3.42Å; T71-D75 PolarHBondContact O-N 3.1Å |
| 72 | L | 95.6 | Very high | 92.7 | Very high | 116 Ų | 116 | 78.7 Ų | 78.7 | 61% | 0.607 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | -179.9 | -70.4 | 172.9 | 0 | 0 | 0 | 112.4 | Q68 L69 A76 | Q68-L72 WeakPolarHBondContact O-CG 3.37Å; Q68-L72 PolarHBondContact O-N 2.92Å; L69-L72 PolarHBondContact O-N 2.95Å; L72-A76 VanDerWaalsContact O-CB 3.24Å; L72-A76 WeakPolarHBondContact O-CB 3.4Å; L72-A76 PolarHBondContact O-N 3.28Å |
| 73 | I | 95 | Very high | 92 | Very high | 14 Ų | 14 | 84.7 Ų | 84.7 | 7% | 0.072 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -71 | -39.9 | -179.6 | -67.7 | -63.5 | 0 | 0 | 0 | 112 | L69 K70 T71 D75 L77 M95 T96 H99 | L69-I73 HydrophobicContact CD1-CG1 4.09Å; L69-I73 HydrophobicContact CG-CG1 4.43Å; L69-I73 WeakPolarHBondContact O-CB 3.49Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 3.32Å; K70-I73 PolarHBondContact O-N 3.28Å; T71-I73 VanDerWaalsContact C-N 3.32Å; T71-I73 PolarHBondContact O-N 3.18Å; I73-D75 VanDerWaalsContact C-N 3.34Å; I73-L77 HydrophobicContact CG2-CD1 3.77Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 VanDerWaalsContact O-CB 3.31Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 2.99Å; I73-M95 HydrophobicContact CG2-CB 3.98Å; I73-M95 HydrophobicContact CG2-CE 4.08Å; I73-T96 HydrophobicContact CD1-CG2 4.21Å; I73-T96 HydrophobicContact CG1-CG2 4.48Å; I73-T96 WeakPolarHBondContact CG1-OG1 3.37Å; I73-H99 HydrophobicContact CD1-CB 3.88Å |
| 74 | L | 93.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.8 | -68.5 | 174.3 | 0 | 0 | 0 | 111.5 | K70 T71 L77 K78 K79 H84 L87 M95 | K70-L74 HydrophobicContact CG-CD1 3.88Å; K70-L74 HydrophobicContact CG-CG 4.5Å; K70-L74 VanDerWaalsContact O-CG 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 2.99Å; T71-L74 PolarHBondContact O-N 2.85Å; L74-L77 CarbonylContact O-C 3.59Å; L74-L77 PolarHBondContact O-N 3.47Å; L74-K78 PolarHBondContact O-N 3.39Å; L74-K79 HydrophobicContact CD2-CB 4.08Å; L74-K79 PolarHBondContact O-N 3.43Å; L74-H84 HydrophobicContact CD1-CB 3.64Å; L74-H84 HydrophobicContact CD2-CB 3.62Å; L74-H84 VanDerWaalsContact CD2-CG 3.46Å; L74-H84 WeakPolarHBondContact CD2-ND1 3.28Å; L74-H84 HydrophobicContact CG-CB 4.3Å; L74-L87 HydrophobicContact CD2-CD1 4.39Å; L74-M95 HydrophobicContact CD2-CE 4.14Å |
| 75 | D | 92.8 | Very high | 90.8 | Very high | 127 Ų | 127 | 79.8 Ų | 79.8 | 68% | 0.679 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.5 | -49.8 | 175.9 | -170.2 | 43 | 0 | 0 | 0 | 111.4 | T71 I73 L77 K78 | T71-D75 WeakPolarHBondContact O-CB 3.42Å; T71-D75 PolarHBondContact O-N 3.1Å; I73-D75 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.43Å; D75-K78 PolarHBondContact O-N 2.94Å |
| 76 | A | 91.4 | Very high | 90.3 | Very high | 57 Ų | 57 | 86.2 Ų | 86.2 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L72 | L72-A76 VanDerWaalsContact O-CB 3.24Å; L72-A76 WeakPolarHBondContact O-CB 3.4Å; L72-A76 PolarHBondContact O-N 3.28Å |
| 77 | L | 89.8 | Confident | 89.9 | Confident | 77 Ų | 77 | 86.7 Ų | 86.7 | 40% | 0.403 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1.9 | 176.8 | -64.4 | 176.1 | 0 | 0 | 0 | 113.4 | I73 L74 D75 K79 M95 | I73-L77 HydrophobicContact CG2-CD1 3.77Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 VanDerWaalsContact O-CB 3.31Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 2.99Å; L74-L77 CarbonylContact O-C 3.59Å; L74-L77 PolarHBondContact O-N 3.47Å; D75-L77 PolarHBondContact O-N 3.43Å; L77-K79 HydrophobicContact CB-CB 4.49Å; L77-K79 PolarHBondContact O-N 2.9Å; L77-M95 HydrophobicContact CD1-CE 3.57Å |
| 78 | K | 89.6 | Confident | 89.9 | Confident | 198 Ų | 198 | 91.6 Ų | 91.6 | 86% | 0.861 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 45.3 | -175.4 | -60.6 | -177.3 | 177.2 | 179.8 | 0 | 112.7 | L74 D75 | L74-K78 PolarHBondContact O-N 3.39Å; D75-K78 PolarHBondContact O-N 2.94Å |
| 79 | K | 87.9 | Confident | 89.7 | Confident | 94 Ų | 94 | 91.6 Ų | 91.6 | 41% | 0.409 | 47% | 0.471 | S | S | . | . | trans | -107.1 | 139.5 | -175 | -150.6 | 157.2 | -173.3 | 177.8 | 0 | 111.3 | L74 L77 S81 H84 | L74-K79 HydrophobicContact CD2-CB 4.08Å; L74-K79 PolarHBondContact O-N 3.43Å; L77-K79 HydrophobicContact CB-CB 4.49Å; L77-K79 PolarHBondContact O-N 2.9Å; K79-S81 PolarHBondContact O-N 3.41Å; K79-H84 WeakPolarHBondContact CD-NE2 3.43Å; K79-H84 WeakPolarHBondContact CE-NE2 3.29Å; K79-H84 WeakPolarHBondContact CG-NE2 3.36Å | ||
| 80 | D | 85.1 | Confident | 89.7 | Confident | 93 Ų | 93 | 92.4 Ų | 92.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | trans | -61 | 118.9 | -173.4 | -55.8 | -56 | 0 | 0 | 0 | 112 | S82 R83 H84 | D80-S82 PolarHBondContact O-N 2.92Å; D80-R83 HydrophobicContact CB-CB 4.38Å; D80-R83 HydrophobicContact CB-CG 4.22Å; D80-R83 PolarHBondContact O-N 3.26Å; D80-H84 PolarHBondContact O-CD2 3.42Å; D80-H84 VanDerWaalsContact O-CD2 3.23Å; D80-H84 PolarHBondContact O-N 3.17Å | ||
| 81 | S | 82.9 | Confident | 89.7 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.3 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | K79 H84 S85 | K79-S81 PolarHBondContact O-N 3.41Å; S81-H84 CarbonylContact O-C 3.39Å; S81-H84 PolarHBondContact O-N 3.19Å; S81-S85 PolarHBondContact O-N 2.99Å |
| 82 | S | 81.5 | Confident | 89.7 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -46.2 | -179.9 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | D80 H84 S85 | D80-S82 PolarHBondContact O-N 2.92Å; S82-H84 PolarHBondContact O-N 3.29Å; S82-S85 WeakPolarHBondContact O-CB 3.5Å; S82-S85 PolarHBondContact O-N 3.04Å; S82-S85 PolarHBondContact O-OG 2.96Å |
| 83 | R | 81.4 | Confident | 89.7 | Confident | 186 Ų | 186 | 88 Ų | 88 | 70% | 0.702 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.1 | 178.1 | -65.2 | -178.1 | 65.7 | -154 | 1.2 | 112.6 | D80 | D80-R83 HydrophobicContact CB-CB 4.38Å; D80-R83 HydrophobicContact CB-CG 4.22Å; D80-R83 PolarHBondContact O-N 3.26Å |
| 84 | H | 85.4 | Confident | 89.8 | Confident | 20 Ų | 20 | 93.6 Ų | 93.6 | 9% | 0.093 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 9.8 | -177.5 | -71.2 | -107.9 | 0 | 0 | 0 | 112.6 | K70 L74 K79 D80 S81 S82 K86 L87 | K70-H84 WeakPolarHBondContact CE-O 3.33Å; K70-H84 PolarHBondContact NZ-O 3.19Å; L74-H84 HydrophobicContact CD1-CB 3.64Å; L74-H84 HydrophobicContact CD2-CB 3.62Å; L74-H84 VanDerWaalsContact CD2-CG 3.46Å; L74-H84 WeakPolarHBondContact CD2-ND1 3.28Å; L74-H84 HydrophobicContact CG-CB 4.3Å; K79-H84 WeakPolarHBondContact CD-NE2 3.43Å; K79-H84 WeakPolarHBondContact CE-NE2 3.29Å; K79-H84 WeakPolarHBondContact CG-NE2 3.36Å; D80-H84 PolarHBondContact O-CD2 3.42Å; D80-H84 VanDerWaalsContact O-CD2 3.23Å; D80-H84 PolarHBondContact O-N 3.17Å; S81-H84 CarbonylContact O-C 3.39Å; S81-H84 PolarHBondContact O-N 3.19Å; S82-H84 PolarHBondContact O-N 3.29Å; H84-K86 PolarHBondContact O-N 2.98Å; H84-L87 HydrophobicContact CB-CD1 3.8Å; H84-L87 HydrophobicContact CB-CG 3.97Å; H84-L87 WeakPolarHBondContact O-CG 3.32Å; H84-L87 PolarHBondContact O-N 2.82Å |
| 85 | S | 84.1 | Confident | 89.8 | Confident | 85 Ų | 85 | 94.9 Ų | 94.9 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.9 | 178.9 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | K70 S81 S82 | K70-S85 PolarHBondContact NZ-O 2.72Å; S81-S85 PolarHBondContact O-N 2.99Å; S82-S85 WeakPolarHBondContact O-CB 3.5Å; S82-S85 PolarHBondContact O-N 3.04Å; S82-S85 PolarHBondContact O-OG 2.96Å |
| 86 | K | 86.1 | Confident | 90 | Very high | 197 Ų | 197 | 89.5 Ų | 89.5 | 86% | 0.857 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 23 | -177.1 | -151.6 | 178.3 | 179.9 | -179.5 | 0 | 115.4 | H84 E88 | H84-K86 PolarHBondContact O-N 2.98Å; K86-E88 PolarHBondContact O-N 3.39Å |
| 87 | L | 88.3 | Confident | 90.3 | Very high | 38 Ų | 38 | 90.8 Ų | 90.8 | 20% | 0.199 | 47% | 0.465 | C | S | . | . | trans | -56.9 | 135.5 | 177.1 | -77 | 173.4 | 0 | 0 | 0 | 112.2 | K70 L74 H84 D91 I92 M95 | K70-L87 HydrophobicContact CG-CD1 4.25Å; L74-L87 HydrophobicContact CD2-CD1 4.39Å; H84-L87 HydrophobicContact CB-CD1 3.8Å; H84-L87 HydrophobicContact CB-CG 3.97Å; H84-L87 WeakPolarHBondContact O-CG 3.32Å; H84-L87 PolarHBondContact O-N 2.82Å; L87-D91 HydrophobicContact CD2-CB 3.72Å; L87-I92 HydrophobicContact CB-CD1 4.06Å; L87-I92 HydrophobicContact CB-CG1 3.78Å; L87-I92 HydrophobicContact CD1-CG1 4.03Å; L87-M95 HydrophobicContact CD1-SD 4.28Å; L87-M95 HydrophobicContact CD2-SD 4.38Å | ||
| 88 | E | 93.9 | Very high | 90.6 | Very high | 136 Ų | 136 | 93.7 Ų | 93.7 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | trans | -74.5 | 160.8 | 172.9 | -59.6 | -163.8 | 105.4 | 0 | 0 | 110.8 | K86 A90 D91 I92 | K86-E88 PolarHBondContact O-N 3.39Å; E88-A90 PolarHBondContact O-N 2.89Å; E88-D91 PolarHBondContact N-OD2 3.49Å; E88-D91 PolarHBondContact O-N 3.24Å; E88-I92 WeakPolarHBondContact O-CG1 3.34Å; E88-I92 PolarHBondContact O-N 3.47Å; E88-I92 VanDerWaalsContact O-N 3.11Å | ||
| 89 | K | 93.6 | Very high | 90.8 | Very high | 115 Ų | 115 | 86.3 Ų | 86.3 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 178 | -70.2 | -172.9 | 172.5 | -170.4 | 0 | 111.8 | N63 L66 L93 | N63-K89 PolarHBondContact OD1-NZ 3.12Å; L66-K89 HydrophobicContact CD1-CB 4.12Å; L66-K89 HydrophobicContact CD1-CD 4.01Å; L66-K89 HydrophobicContact CD1-CG 3.83Å; L66-K89 HydrophobicContact CD2-CG 4.3Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.24Å; K89-L93 PolarHBondContact O-N 3.35Å |
| 90 | A | 95.8 | Very high | 91.2 | Very high | 65 Ų | 65 | 86.5 Ų | 86.5 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E88 I92 L93 E94 | E88-A90 PolarHBondContact O-N 2.89Å; A90-I92 VanDerWaalsContact C-N 3.33Å; A90-I92 PolarHBondContact O-N 3.35Å; A90-L93 PolarHBondContact O-N 3.37Å; A90-L93 VanDerWaalsContact O-N 3.17Å; A90-E94 PolarHBondContact O-N 2.88Å |
| 91 | D | 94.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 89.4 Ų | 89.4 | 31% | 0.31 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 179.3 | -59 | -27.1 | 0 | 0 | 0 | 112.5 | L87 E88 L93 E94 M95 | L87-D91 HydrophobicContact CD2-CB 3.72Å; E88-D91 PolarHBondContact N-OD2 3.49Å; E88-D91 PolarHBondContact O-N 3.24Å; D91-L93 VanDerWaalsContact C-N 3.32Å; D91-L93 PolarHBondContact O-N 3.21Å; D91-E94 PolarHBondContact O-N 3.47Å; D91-M95 WeakPolarHBondContact O-CB 3.03Å; D91-M95 WeakPolarHBondContact O-CG 3.33Å; D91-M95 PolarHBondContact O-N 3.14Å |
| 92 | I | 94.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 88.7 Ų | 88.7 | 5% | 0.046 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 178.1 | -66.7 | 163.4 | 0 | 0 | 0 | 109.3 | L66 L69 K70 L87 E88 A90 T96 | L66-I92 HydrophobicContact CD2-CB 4.28Å; L66-I92 HydrophobicContact CD2-CD1 3.39Å; L66-I92 HydrophobicContact CD2-CG1 4.41Å; L66-I92 HydrophobicContact CD2-CG2 4.1Å; L66-I92 HydrophobicContact CG-CG2 4.38Å; L69-I92 HydrophobicContact CD2-CG2 4.43Å; L69-I92 HydrophobicContact CG-CG2 4.42Å; K70-I92 HydrophobicContact CB-CD1 4.04Å; K70-I92 HydrophobicContact CB-CG1 4.2Å; K70-I92 HydrophobicContact CB-CG2 4.13Å; K70-I92 HydrophobicContact CD-CD1 3.93Å; K70-I92 HydrophobicContact CD-CG1 4.46Å; K70-I92 HydrophobicContact CG-CD1 4.18Å; K70-I92 HydrophobicContact CG-CG1 4.26Å; L87-I92 HydrophobicContact CB-CD1 4.06Å; L87-I92 HydrophobicContact CB-CG1 3.78Å; L87-I92 HydrophobicContact CD1-CG1 4.03Å; E88-I92 WeakPolarHBondContact O-CG1 3.34Å; E88-I92 PolarHBondContact O-N 3.47Å; E88-I92 VanDerWaalsContact O-N 3.11Å; A90-I92 VanDerWaalsContact C-N 3.33Å; A90-I92 PolarHBondContact O-N 3.35Å; I92-T96 PolarHBondContact O-N 3.3Å; I92-T96 PolarHBondContact O-OG1 3.18Å |
| 93 | L | 97.4 | Very high | 92.4 | Very high | 92 Ų | 92 | 87.9 Ų | 87.9 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 178.3 | -65.6 | 174.1 | 0 | 0 | 0 | 112.1 | L69 K89 A90 D91 T96 V97 | L69-L93 HydrophobicContact CD2-CD2 4.44Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.24Å; K89-L93 PolarHBondContact O-N 3.35Å; A90-L93 PolarHBondContact O-N 3.37Å; A90-L93 VanDerWaalsContact O-N 3.17Å; D91-L93 VanDerWaalsContact C-N 3.32Å; D91-L93 PolarHBondContact O-N 3.21Å; L93-T96 PolarHBondContact O-N 3.36Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.29Å; L93-V97 PolarHBondContact O-N 2.78Å |
| 94 | E | 95.8 | Very high | 92.8 | Very high | 133 Ų | 133 | 84.6 Ų | 84.6 | 62% | 0.621 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 178 | -174 | -179.9 | 167.8 | 0 | 0 | 111.4 | A90 D91 T96 V97 K98 | A90-E94 PolarHBondContact O-N 2.88Å; D91-E94 PolarHBondContact O-N 3.47Å; E94-T96 VanDerWaalsContact C-N 3.31Å; E94-T96 PolarHBondContact O-N 3.39Å; E94-V97 PolarHBondContact O-N 3.35Å; E94-K98 WeakPolarHBondContact O-CB 3.47Å; E94-K98 PolarHBondContact O-N 2.74Å |
| 95 | M | 95.2 | Very high | 92.9 | Very high | 35 Ų | 35 | 91 Ų | 91 | 17% | 0.172 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 176.2 | -75.1 | -171 | 60.3 | 0 | 0 | 111.5 | I73 L74 L77 L87 D91 H99 | I73-M95 HydrophobicContact CG2-CB 3.98Å; I73-M95 HydrophobicContact CG2-CE 4.08Å; L74-M95 HydrophobicContact CD2-CE 4.14Å; L77-M95 HydrophobicContact CD1-CE 3.57Å; L87-M95 HydrophobicContact CD1-SD 4.28Å; L87-M95 HydrophobicContact CD2-SD 4.38Å; D91-M95 WeakPolarHBondContact O-CB 3.03Å; D91-M95 WeakPolarHBondContact O-CG 3.33Å; D91-M95 PolarHBondContact O-N 3.14Å; M95-H99 WeakPolarHBondContact O-CB 3.44Å; M95-H99 PolarHBondContact O-N 3.1Å |
| 96 | T | 96.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 89.5 Ų | 89.5 | 9% | 0.092 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | L69 I73 I92 L93 E94 K98 H99 L100 | L69-T96 HydrophobicContact CD1-CG2 3.75Å; L69-T96 HydrophobicContact CD2-CG2 4.06Å; L69-T96 WeakPolarHBondContact CD2-OG1 3.28Å; L69-T96 HydrophobicContact CG-CG2 4.25Å; L69-T96 VanDerWaalsContact CG-OG1 3.31Å; L69-T96 WeakPolarHBondContact CG-OG1 3.47Å; I73-T96 HydrophobicContact CD1-CG2 4.21Å; I73-T96 HydrophobicContact CG1-CG2 4.48Å; I73-T96 WeakPolarHBondContact CG1-OG1 3.37Å; I92-T96 PolarHBondContact O-N 3.3Å; I92-T96 PolarHBondContact O-OG1 3.18Å; L93-T96 PolarHBondContact O-N 3.36Å; E94-T96 VanDerWaalsContact C-N 3.31Å; E94-T96 PolarHBondContact O-N 3.39Å; T96-K98 VanDerWaalsContact C-N 3.3Å; T96-K98 PolarHBondContact O-N 3.16Å; T96-H99 PolarHBondContact O-N 3.05Å; T96-H99 VanDerWaalsContact O-N 3.13Å; T96-L100 HydrophobicContact CG2-CD1 4Å; T96-L100 HydrophobicContact CG2-CG 4.29Å; T96-L100 WeakPolarHBondContact O-CG 3.36Å; T96-L100 PolarHBondContact O-N 2.83Å |
| 97 | V | 97.1 | Very high | 92.7 | Very high | 84 Ų | 84 | 85.7 Ų | 85.7 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | -178.1 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | L93 E94 H99 L100 R101 | L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.29Å; L93-V97 PolarHBondContact O-N 2.78Å; E94-V97 PolarHBondContact O-N 3.35Å; V97-H99 VanDerWaalsContact C-N 3.35Å; V97-H99 PolarHBondContact O-N 3.03Å; V97-L100 PolarHBondContact O-N 2.89Å; V97-R101 HydrophobicContact CG1-CG 4.44Å; V97-R101 VanDerWaalsContact O-CG 3.29Å; V97-R101 WeakPolarHBondContact O-CG 3.4Å; V97-R101 PolarHBondContact O-N 3.3Å |
| 98 | K | 95.3 | Very high | 92 | Very high | 138 Ų | 138 | 89.9 Ų | 89.9 | 60% | 0.6 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.5 | -45.5 | 174.6 | -175.5 | 174.8 | -180 | 172 | 0 | 111.5 | E94 T96 R101 N102 | E94-K98 WeakPolarHBondContact O-CB 3.47Å; E94-K98 PolarHBondContact O-N 2.74Å; T96-K98 VanDerWaalsContact C-N 3.3Å; T96-K98 PolarHBondContact O-N 3.16Å; K98-R101 PolarHBondContact O-N 3.11Å; K98-N102 WeakPolarHBondContact O-CB 3.12Å; K98-N102 VanDerWaalsContact O-CG 3.31Å; K98-N102 PolarHBondContact O-N 2.74Å; K98-N102 PolarHBondContact O-OD1 2.81Å |
| 99 | H | 94.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 86.2 Ų | 86.2 | 20% | 0.199 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177 | -179.2 | 72.1 | 0 | 0 | 0 | 112 | I73 M95 T96 V97 R101 N102 L103 | I73-H99 HydrophobicContact CD1-CB 3.88Å; M95-H99 WeakPolarHBondContact O-CB 3.44Å; M95-H99 PolarHBondContact O-N 3.1Å; T96-H99 PolarHBondContact O-N 3.05Å; T96-H99 VanDerWaalsContact O-N 3.13Å; V97-H99 VanDerWaalsContact C-N 3.35Å; V97-H99 PolarHBondContact O-N 3.03Å; H99-R101 PolarHBondContact O-N 3.11Å; H99-N102 CarbonylContact O-C 3.58Å; H99-N102 WeakPolarHBondContact O-CB 3.35Å; H99-N102 PolarHBondContact O-N 2.93Å; H99-L103 WeakPolarHBondContact O-CB 3.3Å; H99-L103 PolarHBondContact O-N 2.78Å |
| 100 | L | 95.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 83 Ų | 83 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.9 | -70 | 175.3 | 0 | 0 | 0 | 112.4 | T96 V97 N102 L103 Q104 | T96-L100 HydrophobicContact CG2-CD1 4Å; T96-L100 HydrophobicContact CG2-CG 4.29Å; T96-L100 WeakPolarHBondContact O-CG 3.36Å; T96-L100 PolarHBondContact O-N 2.83Å; V97-L100 PolarHBondContact O-N 2.89Å; L100-N102 VanDerWaalsContact C-N 3.32Å; L100-N102 PolarHBondContact O-N 3.43Å; L100-L103 PolarHBondContact O-N 2.91Å; L100-Q104 WeakPolarHBondContact O-CB 3.35Å; L100-Q104 PolarHBondContact O-N 2.73Å |
| 101 | R | 92.8 | Very high | 88.6 | Confident | 155 Ų | 155 | 83.2 Ų | 83.2 | 59% | 0.585 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 174.4 | -69.2 | -68.9 | -172 | 160.4 | 3.3 | 111.6 | V97 K98 H99 R105 | V97-R101 HydrophobicContact CG1-CG 4.44Å; V97-R101 VanDerWaalsContact O-CG 3.29Å; V97-R101 WeakPolarHBondContact O-CG 3.4Å; V97-R101 PolarHBondContact O-N 3.3Å; K98-R101 PolarHBondContact O-N 3.11Å; H99-R101 PolarHBondContact O-N 3.11Å; R101-R105 WeakPolarHBondContact O-CG 3.4Å; R101-R105 PolarHBondContact O-N 3.13Å; R101-R105 VanDerWaalsContact O-N 3.12Å |
| 102 | N | 91.7 | Very high | 87.1 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 38% | 0.38 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 175.4 | -77.1 | 31.1 | 0 | 0 | 0 | 111.6 | K98 H99 L100 R105 A106 | K98-N102 WeakPolarHBondContact O-CB 3.12Å; K98-N102 VanDerWaalsContact O-CG 3.31Å; K98-N102 PolarHBondContact O-N 2.74Å; K98-N102 PolarHBondContact O-OD1 2.81Å; H99-N102 CarbonylContact O-C 3.58Å; H99-N102 WeakPolarHBondContact O-CB 3.35Å; H99-N102 PolarHBondContact O-N 2.93Å; L100-N102 VanDerWaalsContact C-N 3.32Å; L100-N102 PolarHBondContact O-N 3.43Å; N102-R105 PolarHBondContact O-N 3.23Å; N102-R105 PolarHBondContact OD1-NH2 3.47Å; N102-A106 VanDerWaalsContact O-CB 3.32Å; N102-A106 WeakPolarHBondContact O-CB 3.47Å; N102-A106 PolarHBondContact O-N 3.48Å |
| 103 | L | 92.1 | Very high | 85.7 | Confident | 73 Ų | 73 | 88.1 Ų | 88.1 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.4 | -176.7 | 63.6 | 0 | 0 | 0 | 111.1 | H99 L100 R105 A106 Q107 | H99-L103 WeakPolarHBondContact O-CB 3.3Å; H99-L103 PolarHBondContact O-N 2.78Å; L100-L103 PolarHBondContact O-N 2.91Å; L103-R105 PolarHBondContact O-N 3.45Å; L103-A106 PolarHBondContact O-N 3.27Å; L103-Q107 HydrophobicContact CD1-CG 4.28Å; L103-Q107 HydrophobicContact CG-CG 4.38Å; L103-Q107 WeakPolarHBondContact O-CB 3.42Å; L103-Q107 VanDerWaalsContact O-CG 3.28Å; L103-Q107 WeakPolarHBondContact O-CG 3.32Å; L103-Q107 PolarHBondContact O-N 3.3Å |
| 104 | Q | 88 | Confident | 84.1 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 176.7 | -172.3 | -178.5 | 14.3 | 0 | 0 | 111.9 | L100 Q107 M108 | L100-Q104 WeakPolarHBondContact O-CB 3.35Å; L100-Q104 PolarHBondContact O-N 2.73Å; Q104-Q107 PolarHBondContact O-N 3.11Å; Q104-M108 WeakPolarHBondContact O-CB 3.34Å; Q104-M108 PolarHBondContact O-N 2.85Å |
| 105 | R | 88.1 | Confident | 82.6 | Confident | 153 Ų | 153 | 85.7 Ų | 85.7 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 175.2 | -75.4 | -172 | -69.4 | -133.4 | 0.3 | 112.3 | R101 N102 L103 M108 T109 | R101-R105 WeakPolarHBondContact O-CG 3.4Å; R101-R105 PolarHBondContact O-N 3.13Å; R101-R105 VanDerWaalsContact O-N 3.12Å; N102-R105 PolarHBondContact O-N 3.23Å; N102-R105 PolarHBondContact OD1-NH2 3.47Å; L103-R105 PolarHBondContact O-N 3.45Å; R105-M108 PolarHBondContact O-N 2.94Å; R105-T109 WeakPolarHBondContact O-CB 3.43Å; R105-T109 PolarHBondContact O-N 2.97Å; R105-T109 PolarHBondContact O-OG1 3.49Å |
| 106 | A | 84.1 | Confident | 81.1 | Confident | 55 Ų | 55 | 88.4 Ų | 88.4 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | N102 L103 T109 A110 | N102-A106 VanDerWaalsContact O-CB 3.32Å; N102-A106 WeakPolarHBondContact O-CB 3.47Å; N102-A106 PolarHBondContact O-N 3.48Å; L103-A106 PolarHBondContact O-N 3.27Å; A106-T109 PolarHBondContact O-N 2.89Å; A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.24Å |
| 107 | Q | 81.3 | Confident | 80 | Confident | 117 Ų | 117 | 89.9 Ų | 89.9 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.1 | -76 | 179.7 | -6.9 | 0 | 0 | 112.2 | L103 Q104 T109 A110 A111 | L103-Q107 HydrophobicContact CD1-CG 4.28Å; L103-Q107 HydrophobicContact CG-CG 4.38Å; L103-Q107 WeakPolarHBondContact O-CB 3.42Å; L103-Q107 VanDerWaalsContact O-CG 3.28Å; L103-Q107 WeakPolarHBondContact O-CG 3.32Å; L103-Q107 PolarHBondContact O-N 3.3Å; Q104-Q107 PolarHBondContact O-N 3.11Å; Q107-T109 VanDerWaalsContact C-N 3.33Å; Q107-T109 PolarHBondContact O-N 2.91Å; Q107-A110 PolarHBondContact O-N 3.37Å; Q107-A111 VanDerWaalsContact O-CB 3.25Å; Q107-A111 WeakPolarHBondContact O-CB 3.28Å; Q107-A111 PolarHBondContact O-N 3.4Å |
| 108 | M | 75.1 | Confident | 79.1 | Confident | 125 Ų | 125 | 90.8 Ų | 90.8 | 62% | 0.616 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 174.3 | -172.9 | 176 | -174.6 | 0 | 0 | 111.1 | Q104 R105 A111 L112 | Q104-M108 WeakPolarHBondContact O-CB 3.34Å; Q104-M108 PolarHBondContact O-N 2.85Å; R105-M108 PolarHBondContact O-N 2.94Å; M108-A111 PolarHBondContact O-N 3.35Å; M108-L112 WeakPolarHBondContact O-CG 3.49Å; M108-L112 PolarHBondContact O-N 3.33Å; M108-L112 VanDerWaalsContact O-N 3.13Å |
| 109 | T | 75.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 37% | 0.368 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.5 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | R105 A106 Q107 L112 N113 | R105-T109 WeakPolarHBondContact O-CB 3.43Å; R105-T109 PolarHBondContact O-N 2.97Å; R105-T109 PolarHBondContact O-OG1 3.49Å; A106-T109 PolarHBondContact O-N 2.89Å; Q107-T109 VanDerWaalsContact C-N 3.33Å; Q107-T109 PolarHBondContact O-N 2.91Å; T109-L112 PolarHBondContact O-N 3.46Å; T109-N113 PolarHBondContact O-N 3.17Å; T109-N113 PolarHBondContact O-ND2 2.91Å |
| 110 | A | 70.9 | Confident | 77.7 | Confident | 48 Ų | 48 | 85.7 Ų | 85.7 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A106 Q107 L112 N113 T114 | A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.24Å; Q107-A110 PolarHBondContact O-N 3.37Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 2.79Å; A110-N113 CarbonylContact O-C 3.6Å; A110-N113 WeakPolarHBondContact O-CA 3.19Å; A110-N113 PolarHBondContact O-N 2.9Å; A110-T114 WeakPolarHBondContact O-CB 3.39Å; A110-T114 PolarHBondContact O-N 3.39Å; A110-T114 PolarHBondContact O-OG1 3.27Å |
| 111 | A | 64.2 | Low | 77.3 | Confident | 68 Ų | 68 | 87 Ų | 87 | 56% | 0.562 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q107 M108 N113 | Q107-A111 VanDerWaalsContact O-CB 3.25Å; Q107-A111 WeakPolarHBondContact O-CB 3.28Å; Q107-A111 PolarHBondContact O-N 3.4Å; M108-A111 PolarHBondContact O-N 3.35Å; A111-N113 VanDerWaalsContact C-N 3.3Å; A111-N113 PolarHBondContact O-N 3.18Å |
| 112 | L | 64.4 | Low | 77 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -29.4 | 172.2 | -65.3 | 173.9 | 0 | 0 | 0 | 112.9 | M108 T109 A110 M165 | M108-L112 WeakPolarHBondContact O-CG 3.49Å; M108-L112 PolarHBondContact O-N 3.33Å; M108-L112 VanDerWaalsContact O-N 3.13Å; T109-L112 PolarHBondContact O-N 3.46Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 2.79Å; L112-M165 HydrophobicContact CD1-CG 4.23Å |
| 113 | N | 64.1 | Low | 76.8 | Confident | 104 Ų | 104 | 87.8 Ų | 87.8 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -89.9 | -19.4 | 178.8 | -79.4 | -83.9 | 0 | 0 | 0 | 114.2 | T109 A110 A111 D115 P116 | T109-N113 PolarHBondContact O-N 3.17Å; T109-N113 PolarHBondContact O-ND2 2.91Å; A110-N113 CarbonylContact O-C 3.6Å; A110-N113 WeakPolarHBondContact O-CA 3.19Å; A110-N113 PolarHBondContact O-N 2.9Å; A111-N113 VanDerWaalsContact C-N 3.3Å; A111-N113 PolarHBondContact O-N 3.18Å; N113-D115 VanDerWaalsContact C-N 3.3Å; N113-D115 PolarHBondContact O-N 3.47Å; N113-P116 WeakPolarHBondContact O-CD 3.25Å |
| 114 | T | 64.9 | Low | 76.7 | Confident | 118 Ų | 118 | 86.6 Ų | 86.6 | 72% | 0.724 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71 | -29.5 | -174.7 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | A110 | A110-T114 WeakPolarHBondContact O-CB 3.39Å; A110-T114 PolarHBondContact O-N 3.39Å; A110-T114 PolarHBondContact O-OG1 3.27Å |
| 115 | D | 63.2 | Low | 76.9 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 29% | 0.294 | 46% | 0.462 | S | S | . | . | trans | -138.6 | 90 | 163.5 | -172.9 | -2.1 | 0 | 0 | 0 | 109.3 | N113 S117 I118 K121 | N113-D115 VanDerWaalsContact C-N 3.3Å; N113-D115 PolarHBondContact O-N 3.47Å; D115-S117 PolarHBondContact O-N 3.13Å; D115-S117 WeakPolarHBondContact OD1-CA 3.38Å; D115-S117 WeakPolarHBondContact OD1-CB 3.45Å; D115-S117 PolarHBondContact OD1-N 3.44Å; D115-S117 PolarHBondContact OD1-OG 3.03Å; D115-S117 PolarHBondContact OD2-OG 2.96Å; D115-I118 HydrophobicContact CB-CD1 3.78Å; D115-I118 HydrophobicContact CB-CG1 3.81Å; D115-I118 PolarHBondContact O-N 3.33Å; D115-I118 WeakPolarHBondContact OD2-CG1 3Å; D115-K121 IonicContact OD2-NZ 2.92Å | ||
| 116 | P | 64.4 | Low | 77.2 | Confident | 92 Ų | 92 | 77 Ų | 77 | 60% | 0.597 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.3 | -16.9 | 176.9 | 26.9 | -32.5 | 0 | 0 | 0 | 111.6 | N113 I118 G120 | N113-P116 WeakPolarHBondContact O-CD 3.25Å; P116-I118 VanDerWaalsContact C-N 3.34Å; P116-G120 PolarHBondContact O-N 3.49Å |
| 117 | S | 73.2 | Confident | 77.7 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.4 | -26.3 | 173.3 | 90.6 | 0 | 0 | 0 | 0 | 112.6 | D115 G120 K121 | D115-S117 PolarHBondContact O-N 3.13Å; D115-S117 WeakPolarHBondContact OD1-CA 3.38Å; D115-S117 WeakPolarHBondContact OD1-CB 3.45Å; D115-S117 PolarHBondContact OD1-N 3.44Å; D115-S117 PolarHBondContact OD1-OG 3.03Å; D115-S117 PolarHBondContact OD2-OG 2.96Å; S117-G120 CarbonylContact O-C 3.42Å; S117-G120 PolarHBondContact O-N 3.12Å; S117-K121 VanDerWaalsContact O-CB 3.29Å; S117-K121 WeakPolarHBondContact O-CB 3.41Å; S117-K121 WeakPolarHBondContact O-CD 2.72Å; S117-K121 WeakPolarHBondContact O-CG 3.04Å; S117-K121 PolarHBondContact O-N 3.4Å; S117-K121 WeakPolarHBondContact OG-CE 3.04Å; S117-K121 PolarHBondContact OG-NZ 2.96Å |
| 118 | I | 78.4 | Confident | 78.4 | Confident | 104 Ų | 104 | 77.3 Ų | 77.3 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 177.5 | -67.3 | 175.7 | 0 | 0 | 0 | 110.2 | D115 P116 G120 K121 Y122 | D115-I118 HydrophobicContact CB-CD1 3.78Å; D115-I118 HydrophobicContact CB-CG1 3.81Å; D115-I118 PolarHBondContact O-N 3.33Å; D115-I118 WeakPolarHBondContact OD2-CG1 3Å; P116-I118 VanDerWaalsContact C-N 3.34Å; I118-G120 VanDerWaalsContact C-N 3.3Å; I118-G120 PolarHBondContact O-N 3.25Å; I118-K121 PolarHBondContact O-N 2.93Å; I118-Y122 WeakPolarHBondContact O-CB 3.41Å; I118-Y122 PolarHBondContact O-N 2.79Å |
| 119 | L | 78.8 | Confident | 79.4 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 17% | 0.173 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 176.3 | -171.9 | 61.8 | 0 | 0 | 0 | 110.9 | Y122 R123 I162 N166 | L119-Y122 PolarHBondContact O-N 3.32Å; L119-R123 VanDerWaalsContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CB 3.07Å; L119-R123 PolarHBondContact O-N 2.85Å; L119-I162 HydrophobicContact CD1-CG2 4.31Å; L119-N166 HydrophobicContact CD2-CB 4.45Å |
| 120 | G | 81.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P116 S117 I118 R123 A124 | P116-G120 PolarHBondContact O-N 3.49Å; S117-G120 CarbonylContact O-C 3.42Å; S117-G120 PolarHBondContact O-N 3.12Å; I118-G120 VanDerWaalsContact C-N 3.3Å; I118-G120 PolarHBondContact O-N 3.25Å; G120-R123 PolarHBondContact O-N 2.9Å; G120-A124 WeakPolarHBondContact O-CB 3.27Å; G120-A124 PolarHBondContact O-N 3.44Å |
| 121 | K | 86 | Confident | 81.5 | Confident | 125 Ų | 125 | 76.1 Ų | 76.1 | 54% | 0.543 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.4 | -73.4 | 161.2 | -176.8 | 160.9 | 0 | 111.3 | D115 S117 I118 A124 G125 | D115-K121 IonicContact OD2-NZ 2.92Å; S117-K121 VanDerWaalsContact O-CB 3.29Å; S117-K121 WeakPolarHBondContact O-CB 3.41Å; S117-K121 WeakPolarHBondContact O-CD 2.72Å; S117-K121 WeakPolarHBondContact O-CG 3.04Å; S117-K121 PolarHBondContact O-N 3.4Å; S117-K121 WeakPolarHBondContact OG-CE 3.04Å; S117-K121 PolarHBondContact OG-NZ 2.96Å; I118-K121 PolarHBondContact O-N 2.93Å; K121-A124 PolarHBondContact O-N 2.78Å; K121-G125 PolarHBondContact O-N 2.93Å |
| 122 | Y | 87.4 | Confident | 83 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 50% | 0.502 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.5 | 178.6 | -102.1 | 0 | 0 | 0 | 111.4 | I118 L119 A124 G125 F126 I162 | I118-Y122 WeakPolarHBondContact O-CB 3.41Å; I118-Y122 PolarHBondContact O-N 2.79Å; L119-Y122 PolarHBondContact O-N 3.32Å; Y122-A124 VanDerWaalsContact C-N 3.35Å; Y122-A124 PolarHBondContact O-N 2.78Å; Y122-G125 PolarHBondContact O-N 2.86Å; Y122-F126 WeakPolarHBondContact O-CB 3.42Å; Y122-F126 PolarHBondContact O-N 3.46Å; Y122-I162 HydrophobicContact CD1-CG2 4.16Å; Y122-I162 HydrophobicContact CE1-CD1 3.69Å; Y122-I162 HydrophobicContact CE1-CG1 4.1Å; Y122-I162 HydrophobicContact CE1-CG2 4.18Å |
| 123 | R | 87.9 | Confident | 84.5 | Confident | 115 Ų | 115 | 76 Ų | 76 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.2 | -178.2 | -176.4 | -176.3 | -82.4 | 0.4 | 111.8 | L119 G120 S127 M159 N163 | L119-R123 VanDerWaalsContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CB 3.07Å; L119-R123 PolarHBondContact O-N 2.85Å; G120-R123 PolarHBondContact O-N 2.9Å; R123-S127 WeakPolarHBondContact O-CB 3.47Å; R123-S127 PolarHBondContact O-N 3.32Å; R123-M159 HydrophobicContact CG-CE 3.53Å; R123-M159 HydrophobicContact CG-SD 4.04Å; R123-N163 PolarHBondContact NE-OD1 2.94Å |
| 124 | A | 88.9 | Confident | 86 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | G120 K121 Y122 F126 S127 E128 | G120-A124 WeakPolarHBondContact O-CB 3.27Å; G120-A124 PolarHBondContact O-N 3.44Å; K121-A124 PolarHBondContact O-N 2.78Å; Y122-A124 VanDerWaalsContact C-N 3.35Å; Y122-A124 PolarHBondContact O-N 2.78Å; A124-F126 VanDerWaalsContact C-N 3.35Å; A124-F126 PolarHBondContact O-N 2.75Å; A124-S127 WeakPolarHBondContact O-CB 3.36Å; A124-S127 PolarHBondContact O-N 3.39Å; A124-S127 VanDerWaalsContact O-N 3.12Å; A124-E128 WeakPolarHBondContact O-CG 3.45Å; A124-E128 PolarHBondContact O-N 3.43Å |
| 125 | G | 92.8 | Very high | 87.4 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K121 Y122 E128 C129 | K121-G125 PolarHBondContact O-N 2.93Å; Y122-G125 PolarHBondContact O-N 2.86Å; G125-E128 PolarHBondContact O-N 3.31Å; G125-C129 WeakPolarHBondContact O-CB 3.43Å; G125-C129 PolarHBondContact O-N 2.75Å |
| 126 | F | 94.7 | Very high | 88.9 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 173.5 | -171.4 | -85.7 | 0 | 0 | 0 | 111.4 | Y122 A124 C129 M130 L155 C158 M159 I162 | Y122-F126 WeakPolarHBondContact O-CB 3.42Å; Y122-F126 PolarHBondContact O-N 3.46Å; A124-F126 VanDerWaalsContact C-N 3.35Å; A124-F126 PolarHBondContact O-N 2.75Å; F126-C129 PolarHBondContact O-N 2.61Å; F126-M130 WeakPolarHBondContact O-CB 3.36Å; F126-M130 PolarHBondContact O-N 3.04Å; F126-L155 WeakPolarHBondContact CE1-O 3.31Å; F126-L155 HydrophobicContact CZ-CD2 4.03Å; F126-C158 HydrophobicContact CZ-CB 3.88Å; F126-M159 HydrophobicContact CD1-CB 4.28Å; F126-M159 HydrophobicContact CD1-SD 3.82Å; F126-M159 HydrophobicContact CE1-CB 3.97Å; F126-M159 HydrophobicContact CE1-SD 4.46Å; F126-I162 HydrophobicContact CD1-CD1 4.34Å; F126-I162 HydrophobicContact CD2-CD1 4.05Å; F126-I162 HydrophobicContact CE2-CD1 4.23Å; F126-I162 HydrophobicContact CG-CD1 4.11Å; F126-I162 HydrophobicContact CZ-CD1 4.46Å |
| 127 | S | 93.4 | Very high | 90.2 | Very high | 37 Ų | 37 | 73.6 Ų | 73.6 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 175.8 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | R123 A124 M130 N131 | R123-S127 WeakPolarHBondContact O-CB 3.47Å; R123-S127 PolarHBondContact O-N 3.32Å; A124-S127 WeakPolarHBondContact O-CB 3.36Å; A124-S127 PolarHBondContact O-N 3.39Å; A124-S127 VanDerWaalsContact O-N 3.12Å; S127-M130 PolarHBondContact O-N 3.33Å; S127-N131 WeakPolarHBondContact O-CB 3.34Å; S127-N131 PolarHBondContact O-N 3.5Å; S127-N131 PolarHBondContact O-ND2 3.47Å |
| 128 | E | 95.8 | Very high | 91 | Very high | 141 Ų | 141 | 75.7 Ų | 75.7 | 66% | 0.659 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 175.3 | -72.4 | 179.2 | 177.3 | 0 | 0 | 111.3 | A124 G125 M130 N131 E132 | A124-E128 WeakPolarHBondContact O-CG 3.45Å; A124-E128 PolarHBondContact O-N 3.43Å; G125-E128 PolarHBondContact O-N 3.31Å; E128-M130 PolarHBondContact O-N 3.02Å; E128-N131 PolarHBondContact O-N 3.45Å; E128-E132 WeakPolarHBondContact O-CB 3.31Å; E128-E132 PolarHBondContact O-N 3.03Å |
| 129 | C | 95.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 49% | 0.493 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | G125 F126 N131 E132 V133 | G125-C129 WeakPolarHBondContact O-CB 3.43Å; G125-C129 PolarHBondContact O-N 2.75Å; F126-C129 PolarHBondContact O-N 2.61Å; C129-N131 VanDerWaalsContact C-N 3.34Å; C129-N131 PolarHBondContact O-N 2.71Å; C129-E132 PolarHBondContact O-N 2.55Å; C129-V133 WeakPolarHBondContact O-CG2 3.37Å; C129-V133 PolarHBondContact O-N 2.89Å |
| 130 | M | 95.5 | Very high | 91.9 | Very high | 40 Ų | 40 | 75.4 Ų | 75.4 | 20% | 0.197 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.9 | -176.4 | -177.1 | 69.6 | 0 | 0 | 112.1 | F126 S127 E128 E132 V133 T134 L155 | F126-M130 WeakPolarHBondContact O-CB 3.36Å; F126-M130 PolarHBondContact O-N 3.04Å; S127-M130 PolarHBondContact O-N 3.33Å; E128-M130 PolarHBondContact O-N 3.02Å; M130-E132 VanDerWaalsContact C-N 3.34Å; M130-V133 PolarHBondContact O-N 2.91Å; M130-T134 WeakPolarHBondContact O-CB 3.35Å; M130-T134 PolarHBondContact O-N 3.46Å; M130-T134 PolarHBondContact O-OG1 2.82Å; M130-L155 HydrophobicContact CG-CB 4.04Å; M130-L155 HydrophobicContact CG-CD1 4.33Å; M130-L155 HydrophobicContact SD-CB 4.16Å |
| 131 | N | 95.5 | Very high | 92 | Very high | 94 Ų | 94 | 82.8 Ų | 82.8 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.6 | -77.5 | -53.9 | 0 | 0 | 0 | 111.4 | S127 E128 C129 T134 R135 | S127-N131 WeakPolarHBondContact O-CB 3.34Å; S127-N131 PolarHBondContact O-N 3.5Å; S127-N131 PolarHBondContact O-ND2 3.47Å; E128-N131 PolarHBondContact O-N 3.45Å; C129-N131 VanDerWaalsContact C-N 3.34Å; C129-N131 PolarHBondContact O-N 2.71Å; N131-T134 WeakPolarHBondContact O-CB 3.31Å; N131-T134 PolarHBondContact O-N 3.43Å; N131-R135 WeakPolarHBondContact O-CB 3.48Å; N131-R135 PolarHBondContact O-N 2.99Å |
| 132 | E | 96.9 | Very high | 91.8 | Very high | 91 Ų | 91 | 80.8 Ų | 80.8 | 43% | 0.425 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 177.8 | -175.5 | 57.5 | -163 | 0 | 0 | 112.1 | E128 C129 M130 T134 R135 F136 | E128-E132 WeakPolarHBondContact O-CB 3.31Å; E128-E132 PolarHBondContact O-N 3.03Å; C129-E132 PolarHBondContact O-N 2.55Å; M130-E132 VanDerWaalsContact C-N 3.34Å; E132-T134 VanDerWaalsContact C-N 3.3Å; E132-T134 PolarHBondContact O-N 3.48Å; E132-R135 WeakPolarHBondContact O-CB 3.41Å; E132-R135 PolarHBondContact O-N 3.4Å; E132-R135 IonicContact OE1-CZ 3.43Å; E132-R135 IonicContact OE1-NE 3.4Å; E132-R135 PolarHBondContact OE1-NE 3.23Å; E132-R135 IonicContact OE1-NH2 2.67Å; E132-R135 PolarHBondContact OE1-NH2 3.21Å; E132-R135 IonicContact OE2-CZ 3.62Å; E132-R135 IonicContact OE2-NE 2.85Å; E132-R135 PolarHBondContact OE2-NE 3.43Å; E132-R135 IonicContact OE2-NH2 3.54Å; E132-F136 WeakPolarHBondContact O-CB 3.48Å; E132-F136 PolarHBondContact O-N 3.29Å |
| 133 | V | 95.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 77.2 Ų | 77.2 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 172 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | C129 M130 R135 F136 L137 L151 L152 L155 | C129-V133 WeakPolarHBondContact O-CG2 3.37Å; C129-V133 PolarHBondContact O-N 2.89Å; M130-V133 PolarHBondContact O-N 2.91Å; V133-R135 PolarHBondContact O-N 3.04Å; V133-F136 PolarHBondContact O-N 3.41Å; V133-L137 HydrophobicContact CG1-CD1 3.71Å; V133-L137 HydrophobicContact CG1-CG 4.28Å; V133-L137 WeakPolarHBondContact O-CB 3.21Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 3.11Å; V133-L151 HydrophobicContact CG1-CD2 4.22Å; V133-L152 HydrophobicContact CG1-CD2 4.4Å; V133-L155 HydrophobicContact CB-CD1 4.3Å; V133-L155 HydrophobicContact CG1-CD1 3.92Å |
| 134 | T | 94.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 76.5 Ų | 76.5 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | M130 N131 E132 S138 L152 | M130-T134 WeakPolarHBondContact O-CB 3.35Å; M130-T134 PolarHBondContact O-N 3.46Å; M130-T134 PolarHBondContact O-OG1 2.82Å; N131-T134 WeakPolarHBondContact O-CB 3.31Å; N131-T134 PolarHBondContact O-N 3.43Å; E132-T134 VanDerWaalsContact C-N 3.3Å; E132-T134 PolarHBondContact O-N 3.48Å; T134-S138 WeakPolarHBondContact O-CB 3.14Å; T134-S138 PolarHBondContact O-N 2.9Å; T134-S138 VanDerWaalsContact O-N 3.13Å; T134-S138 PolarHBondContact O-OG 2.84Å; T134-L152 HydrophobicContact CG2-CD1 4.28Å; T134-L152 VanDerWaalsContact OG1-CD2 3.24Å; T134-L152 WeakPolarHBondContact OG1-CD2 3.42Å |
| 135 | R | 94.8 | Very high | 91.9 | Very high | 142 Ų | 142 | 78.7 Ų | 78.7 | 54% | 0.536 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 177.2 | -169.2 | -175.3 | 75.4 | 83.5 | 0.5 | 111.1 | N131 E132 V133 L137 S138 T139 | N131-R135 WeakPolarHBondContact O-CB 3.48Å; N131-R135 PolarHBondContact O-N 2.99Å; E132-R135 WeakPolarHBondContact O-CB 3.41Å; E132-R135 PolarHBondContact O-N 3.4Å; E132-R135 IonicContact OE1-CZ 3.43Å; E132-R135 IonicContact OE1-NE 3.4Å; E132-R135 PolarHBondContact OE1-NE 3.23Å; E132-R135 IonicContact OE1-NH2 2.67Å; E132-R135 PolarHBondContact OE1-NH2 3.21Å; E132-R135 IonicContact OE2-CZ 3.62Å; E132-R135 IonicContact OE2-NE 2.85Å; E132-R135 PolarHBondContact OE2-NE 3.43Å; E132-R135 IonicContact OE2-NH2 3.54Å; V133-R135 PolarHBondContact O-N 3.04Å; R135-L137 PolarHBondContact O-N 3.47Å; R135-S138 WeakPolarHBondContact O-CB 3.09Å; R135-S138 PolarHBondContact O-N 2.99Å; R135-S138 VanDerWaalsContact O-N 3.09Å; R135-T139 PolarHBondContact O-N 3.25Å; R135-T139 VanDerWaalsContact O-N 3.13Å; R135-T139 PolarHBondContact O-OG1 2.94Å |
| 136 | F | 94.6 | Very high | 91.9 | Very high | 117 Ų | 117 | 82.6 Ų | 82.6 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 178.5 | 177.7 | -101.4 | 0 | 0 | 0 | 112 | E132 V133 S138 T139 C140 | E132-F136 WeakPolarHBondContact O-CB 3.48Å; E132-F136 PolarHBondContact O-N 3.29Å; V133-F136 PolarHBondContact O-N 3.41Å; F136-S138 PolarHBondContact O-N 2.87Å; F136-T139 PolarHBondContact O-N 2.7Å; F136-T139 VanDerWaalsContact O-N 3.15Å; F136-T139 PolarHBondContact O-OG1 3.26Å; F136-C140 VanDerWaalsContact CE1-SG 3.58Å; F136-C140 VanDerWaalsContact CE2-SG 3.52Å; F136-C140 WeakPolarHBondContact CZ-SG 3.3Å; F136-C140 WeakPolarHBondContact O-CB 3.48Å; F136-C140 PolarHBondContact O-N 3.33Å |
| 137 | L | 92.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 85 Ų | 85 | 6% | 0.063 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.7 | -21.5 | 178.8 | -68.7 | 172.1 | 0 | 0 | 0 | 113.6 | V133 R135 V143 R148 L151 L152 | V133-L137 HydrophobicContact CG1-CD1 3.71Å; V133-L137 HydrophobicContact CG1-CG 4.28Å; V133-L137 WeakPolarHBondContact O-CB 3.21Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 3.11Å; R135-L137 PolarHBondContact O-N 3.47Å; L137-V143 HydrophobicContact CD2-CG1 4.24Å; L137-R148 HydrophobicContact CB-CG 4Å; L137-R148 HydrophobicContact CD1-CG 4.02Å; L137-R148 PolarHBondContact O-NE 3.16Å; L137-R148 PolarHBondContact O-NH2 3.15Å; L137-L151 HydrophobicContact CD1-CD2 3.89Å; L137-L152 HydrophobicContact CD1-CD2 4.25Å; L137-L152 HydrophobicContact CD1-CG 4.34Å |
| 138 | S | 88.9 | Confident | 91.8 | Very high | 90 Ų | 90 | 85.6 Ų | 85.6 | 63% | 0.629 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -79.8 | -31.7 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | T134 R135 F136 | T134-S138 WeakPolarHBondContact O-CB 3.14Å; T134-S138 PolarHBondContact O-N 2.9Å; T134-S138 VanDerWaalsContact O-N 3.13Å; T134-S138 PolarHBondContact O-OG 2.84Å; R135-S138 WeakPolarHBondContact O-CB 3.09Å; R135-S138 PolarHBondContact O-N 2.99Å; R135-S138 VanDerWaalsContact O-N 3.09Å; F136-S138 PolarHBondContact O-N 2.87Å |
| 139 | T | 89.9 | Confident | 91.7 | Very high | 97 Ų | 97 | 83.3 Ų | 83.3 | 60% | 0.595 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -90 | -17.6 | 177.8 | 53 | 0 | 0 | 0 | 0 | 113.9 | R135 F136 E141 | R135-T139 PolarHBondContact O-N 3.25Å; R135-T139 VanDerWaalsContact O-N 3.13Å; R135-T139 PolarHBondContact O-OG1 2.94Å; F136-T139 PolarHBondContact O-N 2.7Å; F136-T139 VanDerWaalsContact O-N 3.15Å; F136-T139 PolarHBondContact O-OG1 3.26Å; T139-E141 PolarHBondContact O-N 3.19Å |
| 140 | C | 86.4 | Confident | 91.7 | Very high | 34 Ų | 34 | 88.4 Ų | 88.4 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | trans | -82 | 110.7 | 177.5 | -83.3 | 0 | 0 | 0 | 0 | 112.1 | F136 V143 | F136-C140 VanDerWaalsContact CE1-SG 3.58Å; F136-C140 VanDerWaalsContact CE2-SG 3.52Å; F136-C140 WeakPolarHBondContact CZ-SG 3.3Å; F136-C140 WeakPolarHBondContact O-CB 3.48Å; F136-C140 PolarHBondContact O-N 3.33Å; C140-V143 HydrophobicContact CB-CG2 4.11Å | ||
| 141 | E | 83.7 | Confident | 91.7 | Very high | 195 Ų | 195 | 89.9 Ų | 89.9 | 91% | 0.911 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 141.5 | 167.4 | -61.4 | -169.2 | 153.5 | 0 | 0 | 110.8 | T139 | T139-E141 PolarHBondContact O-N 3.19Š|
| 142 | G | 82.6 | Confident | 91.6 | Very high | 84 Ų | 84 | 87.5 Ų | 87.5 | 87% | 0.866 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 143 | V | 86 | Confident | 91.6 | Very high | 52 Ų | 52 | 85.2 Ų | 85.2 | 32% | 0.315 | 47% | 0.469 | S | S | . | . | trans | -81.1 | 126.3 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | L137 C140 T145 R148 | L137-V143 HydrophobicContact CD2-CG1 4.24Å; C140-V143 HydrophobicContact CB-CG2 4.11Å; V143-T145 PolarHBondContact O-N 3.02Å; V143-R148 PolarHBondContact O-NH2 2.91Å | ||
| 144 | N | 90.8 | Very high | 91.6 | Very high | 101 Ų | 101 | 88.8 Ų | 88.8 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | trans | -59.3 | 131.6 | 178.3 | -173 | -67.3 | 0 | 0 | 0 | 111.6 | E146 V147 R148 | N144-E146 VanDerWaalsContact C-N 3.27Å; N144-E146 PolarHBondContact O-N 2.92Å; N144-E146 WeakPolarHBondContact OD1-CB 3.21Å; N144-E146 PolarHBondContact OD1-N 3.41Å; N144-V147 HydrophobicContact CB-CB 4.5Å; N144-V147 HydrophobicContact CB-CG2 4.13Å; N144-V147 PolarHBondContact O-N 3.03Å; N144-V147 VanDerWaalsContact O-N 3.14Å; N144-R148 PolarHBondContact O-N 3.44Å; N144-R148 VanDerWaalsContact O-N 3.12Å | ||
| 145 | T | 89.8 | Confident | 91.6 | Very high | 93 Ų | 93 | 87.9 Ų | 87.9 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.4 | -35.6 | -177.5 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | V143 V147 R148 T149 | V143-T145 PolarHBondContact O-N 3.02Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-V147 PolarHBondContact O-N 3.33Å; T145-R148 PolarHBondContact O-N 3.21Å; T145-T149 PolarHBondContact O-N 3.25Å; T145-T149 PolarHBondContact O-OG1 3.3Å |
| 146 | E | 93 | Very high | 91.6 | Very high | 117 Ų | 117 | 83.3 Ų | 83.3 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.5 | -147.2 | 78.3 | -155.7 | 0 | 0 | 111.4 | N144 T149 R150 | N144-E146 VanDerWaalsContact C-N 3.27Å; N144-E146 PolarHBondContact O-N 2.92Å; N144-E146 WeakPolarHBondContact OD1-CB 3.21Å; N144-E146 PolarHBondContact OD1-N 3.41Å; E146-T149 PolarHBondContact O-N 3.5Å; E146-R150 WeakPolarHBondContact O-CB 3.18Å; E146-R150 VanDerWaalsContact O-CG 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.35Å; E146-R150 PolarHBondContact O-N 3.23Å |
| 147 | V | 92.6 | Very high | 91.5 | Very high | 85 Ų | 85 | 81.4 Ų | 81.4 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | N144 T145 T149 R150 L151 | N144-V147 HydrophobicContact CB-CB 4.5Å; N144-V147 HydrophobicContact CB-CG2 4.13Å; N144-V147 PolarHBondContact O-N 3.03Å; N144-V147 VanDerWaalsContact O-N 3.14Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-V147 PolarHBondContact O-N 3.33Å; V147-T149 PolarHBondContact O-N 3.4Å; V147-R150 PolarHBondContact O-N 3.29Å; V147-L151 WeakPolarHBondContact O-CB 3.07Å; V147-L151 PolarHBondContact O-N 3.14Å |
| 148 | R | 92.2 | Very high | 91.5 | Very high | 51 Ų | 51 | 82.3 Ų | 82.3 | 19% | 0.192 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 174.4 | -176.8 | -175.2 | -63.3 | 101.8 | 1 | 110.9 | L137 V143 N144 T145 L151 L152 | L137-R148 HydrophobicContact CB-CG 4Å; L137-R148 HydrophobicContact CD1-CG 4.02Å; L137-R148 PolarHBondContact O-NE 3.16Å; L137-R148 PolarHBondContact O-NH2 3.15Å; V143-R148 PolarHBondContact O-NH2 2.91Å; N144-R148 PolarHBondContact O-N 3.44Å; N144-R148 VanDerWaalsContact O-N 3.12Å; T145-R148 PolarHBondContact O-N 3.21Å; R148-L151 PolarHBondContact O-N 3.02Å; R148-L152 HydrophobicContact CG-CD1 4.16Å; R148-L152 WeakPolarHBondContact O-CG 3.26Å; R148-L152 PolarHBondContact O-N 3.42Å |
| 149 | T | 93.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 79 Ų | 79 | 57% | 0.571 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 112 | T145 E146 V147 G153 | T145-T149 PolarHBondContact O-N 3.25Å; T145-T149 PolarHBondContact O-OG1 3.3Å; E146-T149 PolarHBondContact O-N 3.5Å; V147-T149 PolarHBondContact O-N 3.4Å; T149-G153 PolarHBondContact O-N 3Å |
| 150 | R | 96.3 | Very high | 91.4 | Very high | 180 Ų | 180 | 79 Ų | 79 | 68% | 0.679 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 177.4 | -73.3 | 176.7 | -170.4 | -168.7 | 4.1 | 112.3 | E146 V147 H154 | E146-R150 WeakPolarHBondContact O-CB 3.18Å; E146-R150 VanDerWaalsContact O-CG 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.35Å; E146-R150 PolarHBondContact O-N 3.23Å; V147-R150 PolarHBondContact O-N 3.29Å; R150-H154 WeakPolarHBondContact O-CB 3.21Å; R150-H154 PolarHBondContact O-N 2.93Å |
| 151 | L | 95.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 83.9 Ų | 83.9 | 37% | 0.366 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 178.9 | 177.5 | 57.5 | 0 | 0 | 0 | 111.6 | V133 L137 V147 R148 G153 H154 L155 | V133-L151 HydrophobicContact CG1-CD2 4.22Å; L137-L151 HydrophobicContact CD1-CD2 3.89Å; V147-L151 WeakPolarHBondContact O-CB 3.07Å; V147-L151 PolarHBondContact O-N 3.14Å; R148-L151 PolarHBondContact O-N 3.02Å; L151-G153 VanDerWaalsContact C-N 3.35Å; L151-G153 PolarHBondContact O-N 3.23Å; L151-H154 WeakPolarHBondContact O-CB 3.4Å; L151-H154 PolarHBondContact O-N 3.35Å; L151-L155 HydrophobicContact CD1-CD1 4.31Å; L151-L155 HydrophobicContact CD1-CG 4.39Å; L151-L155 HydrophobicContact CG-CD1 4.32Å; L151-L155 WeakPolarHBondContact O-CG 3.42Å; L151-L155 PolarHBondContact O-N 3.33Å |
| 152 | L | 94.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 75.7 Ų | 75.7 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.8 | -66.9 | 179 | 0 | 0 | 0 | 111.9 | V133 T134 L137 R148 H154 L155 A156 | V133-L152 HydrophobicContact CG1-CD2 4.4Å; T134-L152 HydrophobicContact CG2-CD1 4.28Å; T134-L152 VanDerWaalsContact OG1-CD2 3.24Å; T134-L152 WeakPolarHBondContact OG1-CD2 3.42Å; L137-L152 HydrophobicContact CD1-CD2 4.25Å; L137-L152 HydrophobicContact CD1-CG 4.34Å; R148-L152 HydrophobicContact CG-CD1 4.16Å; R148-L152 WeakPolarHBondContact O-CG 3.26Å; R148-L152 PolarHBondContact O-N 3.42Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-H154 PolarHBondContact O-N 2.96Å; L152-L155 PolarHBondContact O-N 3.03Å; L152-A156 WeakPolarHBondContact O-CB 3.47Å; L152-A156 PolarHBondContact O-N 3.38Å |
| 153 | G | 95.1 | Very high | 91.3 | Very high | 43 Ų | 43 | 74.7 Ų | 74.7 | 44% | 0.443 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T149 L151 A156 S157 | T149-G153 PolarHBondContact O-N 3Å; L151-G153 VanDerWaalsContact C-N 3.35Å; L151-G153 PolarHBondContact O-N 3.23Å; G153-A156 PolarHBondContact O-N 3.46Å; G153-S157 PolarHBondContact O-N 3.46Å |
| 154 | H | 96.3 | Very high | 90.8 | Very high | 117 Ų | 117 | 75.4 Ų | 75.4 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.1 | -47 | 175.4 | -179.6 | 66.3 | 0 | 0 | 0 | 112 | R150 L151 L152 A156 S157 C158 | R150-H154 WeakPolarHBondContact O-CB 3.21Å; R150-H154 PolarHBondContact O-N 2.93Å; L151-H154 WeakPolarHBondContact O-CB 3.4Å; L151-H154 PolarHBondContact O-N 3.35Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-H154 PolarHBondContact O-N 2.96Å; H154-A156 VanDerWaalsContact C-N 3.33Å; H154-A156 PolarHBondContact O-N 3.13Å; H154-S157 WeakPolarHBondContact O-CB 3.25Å; H154-S157 PolarHBondContact O-N 3.5Å; H154-C158 PolarHBondContact O-N 3.47Å |
| 155 | L | 95.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.7 | -69 | 171.1 | 0 | 0 | 0 | 112.1 | F126 M130 V133 L151 L152 C158 M159 | F126-L155 WeakPolarHBondContact CE1-O 3.31Å; F126-L155 HydrophobicContact CZ-CD2 4.03Å; M130-L155 HydrophobicContact CG-CB 4.04Å; M130-L155 HydrophobicContact CG-CD1 4.33Å; M130-L155 HydrophobicContact SD-CB 4.16Å; V133-L155 HydrophobicContact CB-CD1 4.3Å; V133-L155 HydrophobicContact CG1-CD1 3.92Å; L151-L155 HydrophobicContact CD1-CD1 4.31Å; L151-L155 HydrophobicContact CD1-CG 4.39Å; L151-L155 HydrophobicContact CG-CD1 4.32Å; L151-L155 WeakPolarHBondContact O-CG 3.42Å; L151-L155 PolarHBondContact O-N 3.33Å; L152-L155 PolarHBondContact O-N 3.03Å; L155-C158 PolarHBondContact O-N 3.01Å; L155-M159 PolarHBondContact O-N 3.19Å |
| 156 | A | 92.8 | Very high | 88.4 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L152 G153 H154 M159 T160 | L152-A156 WeakPolarHBondContact O-CB 3.47Å; L152-A156 PolarHBondContact O-N 3.38Å; G153-A156 PolarHBondContact O-N 3.46Å; H154-A156 VanDerWaalsContact C-N 3.33Å; H154-A156 PolarHBondContact O-N 3.13Å; A156-M159 WeakPolarHBondContact O-CB 3.24Å; A156-M159 PolarHBondContact O-N 3.42Å; A156-T160 PolarHBondContact O-N 2.92Å; A156-T160 VanDerWaalsContact O-N 3.1Å; A156-T160 PolarHBondContact O-OG1 3.35Å |
| 157 | S | 93.4 | Very high | 86.3 | Confident | 76 Ų | 76 | 80 Ų | 80 | 53% | 0.531 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | G153 H154 M159 T160 Q161 | G153-S157 PolarHBondContact O-N 3.46Å; H154-S157 WeakPolarHBondContact O-CB 3.25Å; H154-S157 PolarHBondContact O-N 3.5Å; S157-M159 VanDerWaalsContact C-N 3.33Å; S157-M159 PolarHBondContact O-N 2.89Å; S157-T160 PolarHBondContact O-N 3.01Å; S157-Q161 PolarHBondContact O-N 3.44Å; S157-Q161 VanDerWaalsContact O-N 3.09Å |
| 158 | C | 92.8 | Very high | 84.1 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 22% | 0.216 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.3 | -75.2 | 0 | 0 | 0 | 0 | 111.4 | F126 H154 L155 T160 Q161 I162 | F126-C158 HydrophobicContact CZ-CB 3.88Å; H154-C158 PolarHBondContact O-N 3.47Å; L155-C158 PolarHBondContact O-N 3.01Å; C158-T160 VanDerWaalsContact C-N 3.34Å; C158-T160 PolarHBondContact O-N 3.22Å; C158-Q161 WeakPolarHBondContact O-CB 3.19Å; C158-Q161 PolarHBondContact O-N 3.38Å; C158-I162 WeakPolarHBondContact O-CD1 3.28Å; C158-I162 VanDerWaalsContact O-CG1 3.28Å; C158-I162 WeakPolarHBondContact O-CG1 3.42Å; C158-I162 PolarHBondContact O-N 3.36Å |
| 159 | M | 89.2 | Confident | 81.6 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 10% | 0.099 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 175.3 | -172.8 | 58.2 | 150.7 | 0 | 0 | 111.7 | R123 F126 L155 A156 S157 Q161 I162 N163 | R123-M159 HydrophobicContact CG-CE 3.53Å; R123-M159 HydrophobicContact CG-SD 4.04Å; F126-M159 HydrophobicContact CD1-CB 4.28Å; F126-M159 HydrophobicContact CD1-SD 3.82Å; F126-M159 HydrophobicContact CE1-CB 3.97Å; F126-M159 HydrophobicContact CE1-SD 4.46Å; L155-M159 PolarHBondContact O-N 3.19Å; A156-M159 WeakPolarHBondContact O-CB 3.24Å; A156-M159 PolarHBondContact O-N 3.42Å; S157-M159 VanDerWaalsContact C-N 3.33Å; S157-M159 PolarHBondContact O-N 2.89Å; M159-Q161 VanDerWaalsContact C-N 3.33Å; M159-Q161 PolarHBondContact O-N 3.01Å; M159-I162 PolarHBondContact O-N 2.97Å; M159-N163 PolarHBondContact O-N 3.1Å; M159-N163 PolarHBondContact O-ND2 3.49Å |
| 160 | T | 87.9 | Confident | 78.9 | Confident | 98 Ų | 98 | 84.9 Ų | 84.9 | 60% | 0.601 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | A156 S157 C158 N163 A164 | A156-T160 PolarHBondContact O-N 2.92Å; A156-T160 VanDerWaalsContact O-N 3.1Å; A156-T160 PolarHBondContact O-OG1 3.35Å; S157-T160 PolarHBondContact O-N 3.01Å; C158-T160 VanDerWaalsContact C-N 3.34Å; C158-T160 PolarHBondContact O-N 3.22Å; T160-N163 PolarHBondContact O-N 3.31Å; T160-A164 PolarHBondContact O-N 3.37Å |
| 161 | Q | 85.8 | Confident | 76.4 | Confident | 135 Ų | 135 | 83.7 Ų | 83.7 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 175.7 | -175.7 | -179.2 | 71.7 | 0 | 0 | 112.3 | S157 C158 M159 N163 A164 M165 | S157-Q161 PolarHBondContact O-N 3.44Å; S157-Q161 VanDerWaalsContact O-N 3.09Å; C158-Q161 WeakPolarHBondContact O-CB 3.19Å; C158-Q161 PolarHBondContact O-N 3.38Å; M159-Q161 VanDerWaalsContact C-N 3.33Å; M159-Q161 PolarHBondContact O-N 3.01Å; Q161-N163 VanDerWaalsContact C-N 3.28Å; Q161-N163 PolarHBondContact O-N 3.01Å; Q161-A164 PolarHBondContact O-N 3.02Å; Q161-M165 PolarHBondContact O-N 3.4Å; Q161-M165 VanDerWaalsContact O-N 3.17Å |
| 162 | I | 84.3 | Confident | 73.6 | Confident | 24 Ų | 24 | 88.6 Ų | 88.6 | 12% | 0.123 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 175.6 | -66.6 | 159.5 | 0 | 0 | 0 | 110.6 | L119 Y122 F126 C158 M159 | L119-I162 HydrophobicContact CD1-CG2 4.31Å; Y122-I162 HydrophobicContact CD1-CG2 4.16Å; Y122-I162 HydrophobicContact CE1-CD1 3.69Å; Y122-I162 HydrophobicContact CE1-CG1 4.1Å; Y122-I162 HydrophobicContact CE1-CG2 4.18Å; F126-I162 HydrophobicContact CD1-CD1 4.34Å; F126-I162 HydrophobicContact CD2-CD1 4.05Å; F126-I162 HydrophobicContact CE2-CD1 4.23Å; F126-I162 HydrophobicContact CG-CD1 4.11Å; F126-I162 HydrophobicContact CZ-CD1 4.46Å; C158-I162 WeakPolarHBondContact O-CD1 3.28Å; C158-I162 VanDerWaalsContact O-CG1 3.28Å; C158-I162 WeakPolarHBondContact O-CG1 3.42Å; C158-I162 PolarHBondContact O-N 3.36Å; M159-I162 PolarHBondContact O-N 2.97Å |
| 163 | N | 80 | Confident | 71 | Confident | 62 Ų | 62 | 94.7 Ų | 94.7 | 33% | 0.332 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 175.4 | -72.7 | -76.7 | 0 | 0 | 0 | 112.4 | R123 M159 T160 Q161 M165 N166 | R123-N163 PolarHBondContact NE-OD1 2.94Å; M159-N163 PolarHBondContact O-N 3.1Å; M159-N163 PolarHBondContact O-ND2 3.49Å; T160-N163 PolarHBondContact O-N 3.31Å; Q161-N163 VanDerWaalsContact C-N 3.28Å; Q161-N163 PolarHBondContact O-N 3.01Å; N163-M165 VanDerWaalsContact C-N 3.27Å; N163-M165 PolarHBondContact O-N 3.24Å; N163-N166 WeakPolarHBondContact O-CB 3.29Å; N163-N166 PolarHBondContact O-N 3.4Å |
| 164 | A | 76.6 | Confident | 68.1 | Low | 67 Ų | 67 | 100.4 Ų | 100.4 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -27.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T160 Q161 N166 Y167 | T160-A164 PolarHBondContact O-N 3.37Å; Q161-A164 PolarHBondContact O-N 3.02Å; A164-N166 PolarHBondContact O-N 3.03Å; A164-Y167 PolarHBondContact O-N 3.05Å |
| 165 | M | 66.8 | Low | 65.6 | Low | 111 Ų | 111 | 103 Ų | 103 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.5 | 175.5 | -160.4 | 90 | 80.7 | 0 | 0 | 113.1 | L112 Q161 N163 Y167 | L112-M165 HydrophobicContact CD1-CG 4.23Å; Q161-M165 PolarHBondContact O-N 3.4Å; Q161-M165 VanDerWaalsContact O-N 3.17Å; N163-M165 VanDerWaalsContact C-N 3.27Å; N163-M165 PolarHBondContact O-N 3.24Å; M165-Y167 VanDerWaalsContact C-N 3.34Å |
| 166 | N | 62.2 | Low | 62.8 | Low | 103 Ų | 103 | 109.6 Ų | 109.6 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -21 | -179.5 | -159.8 | -69.2 | 0 | 0 | 0 | 113.1 | L119 N163 A164 P168 | L119-N166 HydrophobicContact CD2-CB 4.45Å; N163-N166 WeakPolarHBondContact O-CB 3.29Å; N163-N166 PolarHBondContact O-N 3.4Å; A164-N166 PolarHBondContact O-N 3.03Å; N166-P168 WeakPolarHBondContact O-CD 3.23Å |
| 167 | Y | 49.4 | Very low | 60.3 | Low | 194 Ų | 194 | 115.2 Ų | 115.2 | 76% | 0.761 | 59% | 0.589 | S | S | * | * | trans | -95.9 | 98.9 | 172.8 | -92.7 | -93.4 | 0 | 0 | 0 | 110 | A164 M165 S169 | A164-Y167 PolarHBondContact O-N 3.05Å; M165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-S169 VanDerWaalsContact C-N 3.31Å; Y167-S169 PolarHBondContact O-N 3.13Å | ||
| 168 | P | 46.1 | Very low | 58.2 | Low | 72 Ų | 72 | 117.1 Ų | 117.1 | 47% | 0.468 | 60% | 0.599 | S | S | . | * | trans | -60.8 | 107.5 | 153.8 | 27.2 | -29.4 | 0 | 0 | 0 | 105.7 | N166 Q170 | N166-P168 WeakPolarHBondContact O-CD 3.23Å; P168-Q170 VanDerWaalsContact C-N 3.29Å; P168-Q170 PolarHBondContact O-N 3.09Å | ||
| 169 | S | 40.3 | Very low | 56.1 | Low | 95 Ų | 95 | 121.8 Ų | 121.8 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | trans | -53.8 | 96.2 | 169.1 | -79.5 | 0 | 0 | 0 | 0 | 108.9 | Y167 H171 | Y167-S169 VanDerWaalsContact C-N 3.31Å; Y167-S169 PolarHBondContact O-N 3.13Å; S169-H171 PolarHBondContact O-N 2.96Å | ||
| 170 | Q | 37.1 | Very low | 53.8 | Low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 67% | 0.665 | S | S | * | * | trans | -71.7 | 55.7 | 157.1 | -72.6 | -73.6 | -9.8 | 0 | 0 | 108.3 | P168 Q172 | P168-Q170 VanDerWaalsContact C-N 3.29Å; P168-Q170 PolarHBondContact O-N 3.09Å; Q170-Q172 PolarHBondContact O-N 3.48Å; Q170-Q172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | H | 43.8 | Very low | 51.7 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | trans | -84 | 81.5 | 164 | -76.5 | -64 | 0 | 0 | 0 | 107.1 | S169 H173 | S169-H171 PolarHBondContact O-N 2.96Å; H171-H173 PolarHBondContact O-N 2.9Å | ||
| 172 | Q | 35.8 | Very low | 49.3 | Very low | 173 Ų | 173 | 123.2 Ų | 123.2 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | trans | -49.4 | 124.9 | 151.8 | -81.8 | -153.5 | -45.4 | 0 | 0 | 107.6 | Q170 Q174 | Q170-Q172 PolarHBondContact O-N 3.48Å; Q170-Q172 VanDerWaalsContact O-N 3.11Å; Q172-Q174 VanDerWaalsContact C-N 3.29Å; Q172-Q174 PolarHBondContact O-N 3.29Å | ||
| 173 | H | 39.4 | Very low | 47.1 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | trans | -64.7 | 90.9 | 168.2 | -78 | 49.3 | 0 | 0 | 0 | 108.7 | H171 | H171-H173 PolarHBondContact O-N 2.9Š| ||
| 174 | Q | 35.3 | Very low | 45.2 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | -89.5 | 107 | 155 | -136.8 | -171.5 | 5.4 | 0 | 0 | 107.1 | Q172 Q176 | Q172-Q174 VanDerWaalsContact C-N 3.29Å; Q172-Q174 PolarHBondContact O-N 3.29Å; Q174-Q176 PolarHBondContact O-N 3.29Å; Q174-Q176 VanDerWaalsContact O-N 3.11Å | ||
| 175 | H | 44 | Very low | 43.7 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -61.6 | 107.5 | 169.3 | -85.1 | 75.6 | 0 | 0 | 0 | 108.8 | ||||
| 176 | Q | 36.2 | Very low | 42.8 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -108.8 | 124.9 | 162.1 | -81.3 | -179.4 | 10.4 | 0 | 0 | 109.2 | Q174 | Q174-Q176 PolarHBondContact O-N 3.29Å; Q174-Q176 VanDerWaalsContact O-N 3.11Å | ||
| 177 | L | 40.7 | Very low | 41.6 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 157 | 172 | -78.7 | 118.6 | 0 | 0 | 0 | 111 | ||
| 178 | P | 48.5 | Very low | 41.3 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 157.1 | -171.6 | 29.6 | -34 | 0 | 0 | 0 | 113.8 | ||
| 179 | P | 48.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 140.7 | -176.4 | 34.5 | -31.5 | 0 | 0 | 0 | 112 | ||
| 180 | A | 40 | Very low | 40.9 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -90 | 148 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 181 | A | 44.4 | Very low | 40.7 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60 | 153.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 182 | G | 35.7 | Very low | 40.2 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 178.4 | 87.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 183 | S | 38.7 | Very low | 40.3 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 19.2 | 128.9 | 151.5 | 56.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 184 | T | 39.5 | Very low | 40 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | trans | 59.9 | 115.4 | 132.4 | 60.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 185 | H | 44.6 | Very low | 40.1 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | -172.3 | 139.2 | 125.9 | -85.4 | -69.3 | 0 | 0 | 0 | 109.3 | |||||
| 186 | P | 48.2 | Very low | 39.7 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 132.2 | 172.3 | 34.1 | -26 | 0 | 0 | 0 | 110.2 | ||||
| 187 | S | 37.8 | Very low | 39.4 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -131.1 | 122.5 | 163.1 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 188 | F | 41.8 | Very low | 39.1 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 125.3 | 179.5 | -164.1 | -94.9 | 0 | 0 | 0 | 109 | ||||
| 189 | A | 38.3 | Very low | 38.5 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -164.4 | 107.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 190 | Q | 40.3 | Very low | 38.3 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -72.7 | 142.1 | 159.6 | -64 | -148.6 | -25 | 0 | 0 | 108.9 | ||||
| 191 | S | 32.1 | Very low | 38 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -121.7 | 122.4 | 163.8 | -147.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 192 | M | 35.1 | Very low | 37.6 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -73.3 | 151.1 | -170.4 | 55.5 | -129.4 | -146.6 | 0 | 0 | 114.2 | ||||
| 193 | V | 38 | Very low | 37.5 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -64.4 | 133.1 | 167.9 | 179 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | Q | 32.2 | Very low | 37.8 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -133.7 | 113.4 | 167.7 | -126.9 | 176.1 | 2.7 | 0 | 0 | 111 | ||||
| 195 | I | 37.6 | Very low | 37.5 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | trans | -83.2 | 148.7 | 167.2 | -59.2 | 161.5 | 0 | 0 | 0 | 107.5 | ||||
| 196 | P | 35.7 | Very low | 37.2 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -123.1 | 132.6 | 139.1 | 11 | 9.2 | 0 | 0 | 0 | 112.2 | ||||
| 197 | S | 30.3 | Very low | 36.8 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -89.6 | 133.2 | 167.7 | 155.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 198 | S | 33.7 | Very low | 36.6 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -157.3 | 120 | 155.1 | 39.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | S | 35.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -91.3 | -170.6 | 170 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 200 | P | 45.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -105.8 | 158.8 | -105.7 | 31.9 | -13.5 | 0 | 0 | 0 | 113.3 | |||||
| 201 | Q | 33.7 | Very low | 35.7 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -130.8 | 121.8 | 167.1 | -68.9 | -75.8 | -51.5 | 0 | 0 | 109.3 | ||||
| 202 | V | 35 | Very low | 35.5 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -88.4 | 150.2 | 170.5 | -77.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 203 | L | 34.2 | Very low | 35.3 | Very low | 166 Ų | 166 | 130 Ų | 130 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | 167.4 | 160.5 | 138.2 | -87.3 | 177.8 | 0 | 0 | 0 | 111.1 | ||||
| 204 | P | 45.6 | Very low | 35.4 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | trans | -127.9 | -170 | -134.8 | 40.3 | -22.5 | 0 | 0 | 0 | 116 | ||||
| 205 | M | 31.8 | Very low | 35.8 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | 92.7 | 139.2 | 169.3 | -55.9 | -153 | 74 | 0 | 0 | 116 | ||||
| 206 | N | 38.4 | Very low | 36.2 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | -159.8 | 163.1 | -1.8 | -139.3 | 30.5 | 0 | 0 | 0 | 108.1 | ||||
| 207 | P | 39.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 133.9 | -179.9 | 33.4 | -27.1 | 0 | 0 | 0 | 112.2 | ||
| 208 | A | 34.5 | Very low | 36.5 | Very low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 117.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 209 | S | 34 | Very low | 36.5 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78 | 136.2 | 175.2 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 210 | C | 31.9 | Very low | 36.6 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -131.5 | 116.4 | 156.3 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 211 | K | 34.4 | Very low | 36.7 | Very low | 206 Ų | 206 | 128.6 Ų | 128.6 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -92.1 | 145.9 | 172.7 | -102.8 | 179.6 | 169.9 | -176 | 0 | 108.9 | ||||
| 212 | G | 29.6 | Very low | 36.8 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | 127.8 | 105.9 | 137 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 213 | G | 29.2 | Very low | 37.4 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 166.7 | 80.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 214 | S | 40 | Very low | 38.2 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 156 | 171.3 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | P | 40.7 | Very low | 38.3 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -120.9 | 167 | 142.9 | 26.4 | -9.1 | 0 | 0 | 0 | 112.2 | ||||
| 216 | P | 46.6 | Very low | 39.2 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -85.7 | 165.2 | -162.3 | 34.2 | -33.7 | 0 | 0 | 0 | 114.4 | ||||
| 217 | A | 38 | Very low | 39.6 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -69.5 | 144.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 218 | S | 35 | Very low | 40.4 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 171.4 | 133.6 | 118 | 44.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 219 | L | 32.2 | Very low | 41.7 | Very low | 168 Ų | 168 | 119.7 Ų | 119.7 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | 87.2 | 150.5 | 157.4 | -66.4 | 164.1 | 0 | 0 | 0 | 119.5 | ||||
| 220 | P | 38.7 | Very low | 42.8 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | -96.2 | 154 | -114.4 | 35.8 | -35.6 | 0 | 0 | 0 | 114.9 | D222 | P220-D222 PolarHBondContact O-N 3.13Š| |||
| 221 | S | 47.3 | Very low | 44.6 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -52 | 115.8 | 169.4 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 222 | D | 36.9 | Very low | 46.1 | Very low | 142 Ų | 142 | 110.3 Ų | 110.3 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -138.3 | 140.9 | 132.5 | -130.6 | -52.3 | 0 | 0 | 0 | 109.2 | P220 T224 | P220-D222 PolarHBondContact O-N 3.13Å; D222-T224 PolarHBondContact O-N 3.18Å; D222-T224 PolarHBondContact O-OG1 3.31Å | ||
| 223 | A | 47.5 | Very low | 48.2 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | -63.8 | 97.5 | -148.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K225 | A223-K225 PolarHBondContact O-N 3.23Š| ||
| 224 | T | 50.1 | Low | 49.6 | Very low | 68 Ų | 68 | 109.8 Ų | 109.8 | 42% | 0.417 | 67% | 0.668 | S | S | . | * | trans | -98.1 | 72.4 | 169.3 | -44.6 | 0 | 0 | 0 | 0 | 110 | D222 V226 Q231 I232 | D222-T224 PolarHBondContact O-N 3.18Å; D222-T224 PolarHBondContact O-OG1 3.31Å; T224-V226 HydrophobicContact CG2-CG2 4.1Å; T224-V226 PolarHBondContact O-N 3.06Å; T224-Q231 HydrophobicContact CG2-CG 3.63Å; T224-I232 WeakPolarHBondContact CG2-O 3.49Å | ||
| 225 | K | 48.8 | Very low | 50.8 | Low | 199 Ų | 199 | 105.6 Ų | 105.6 | 87% | 0.865 | 64% | 0.641 | S | S | * | * | trans | -80.7 | 112.7 | 168.6 | -100.8 | -170.1 | 175.9 | 176.5 | 0 | 109.1 | A223 | A223-K225 PolarHBondContact O-N 3.23Š| ||
| 226 | V | 49.9 | Very low | 51.6 | Low | 73 Ų | 73 | 107.5 Ų | 107.5 | 44% | 0.442 | 65% | 0.65 | S | S | . | * | trans | -94.4 | 126.6 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | T224 F230 | T224-V226 HydrophobicContact CG2-CG2 4.1Å; T224-V226 PolarHBondContact O-N 3.06Å; V226-F230 WeakPolarHBondContact CG1-O 3.44Å; V226-F230 VanDerWaalsContact CG2-O 3.27Å; V226-F230 WeakPolarHBondContact CG2-O 3.46Å | ||
| 227 | Y | 46.6 | Very low | 52.4 | Low | 218 Ų | 218 | 105.8 Ų | 105.8 | 86% | 0.855 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -106.3 | 121.7 | 162.9 | -165.8 | -96.2 | 0 | 0 | 0 | 107.7 | ||
| 228 | G | 57 | Low | 53.6 | Low | 63 Ų | 63 | 104.3 Ų | 104.3 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.3 | 22 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | F230 | G228-F230 WeakPolarHBondContact O-CD2 3.47Å; G228-F230 WeakPolarHBondContact O-CE2 3.46Å |
| 229 | G | 61.6 | Low | 55.1 | Low | 57 Ų | 57 | 103.4 Ų | 103.4 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.6 | 6.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 230 | F | 56.6 | Low | 56.8 | Low | 96 Ų | 96 | 101.7 Ų | 101.7 | 42% | 0.421 | 60% | 0.598 | S | S | . | * | trans | -103.9 | 131.1 | 177.3 | -57.3 | -78.8 | 0 | 0 | 0 | 111.8 | V226 G228 I244 | V226-F230 WeakPolarHBondContact CG1-O 3.44Å; V226-F230 VanDerWaalsContact CG2-O 3.27Å; V226-F230 WeakPolarHBondContact CG2-O 3.46Å; G228-F230 WeakPolarHBondContact O-CD2 3.47Å; G228-F230 WeakPolarHBondContact O-CE2 3.46Å; F230-I244 HydrophobicContact CD1-CG1 3.92Å; F230-I244 HydrophobicContact CE1-CG1 4.01Å; F230-I244 HydrophobicContact CE1-CG2 4.19Å | ||
| 231 | Q | 70.1 | Confident | 58.2 | Low | 102 Ų | 102 | 96.7 Ų | 96.7 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.6 | 177.1 | -162 | 174.7 | 27.2 | 0 | 0 | 109.8 | T224 L243 | T224-Q231 HydrophobicContact CG2-CG 3.63Å; Q231-L243 HydrophobicContact CB-CB 4.19Å; Q231-L243 HydrophobicContact CB-CD1 4.34Å; Q231-L243 PolarHBondContact N-O 3.43Å; Q231-L243 WeakPolarHBondContact O-CD1 3.25Å; Q231-L243 PolarHBondContact O-N 2.97Å |
| 232 | I | 66.8 | Low | 59.4 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 29% | 0.292 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.3 | 179.4 | -60.2 | 174.2 | 0 | 0 | 0 | 108 | T224 F240 A241 F242 | T224-I232 WeakPolarHBondContact CG2-O 3.49Å; I232-F240 HydrophobicContact CG2-CB 4.14Å; I232-F240 HydrophobicContact CG2-CD1 4.03Å; I232-A241 WeakPolarHBondContact CA-O 3.45Å; I232-F242 HydrophobicContact CD1-CD1 4.14Å; I232-F242 HydrophobicContact CD1-CE1 3.65Å; I232-F242 HydrophobicContact CG1-CD1 3.76Å; I232-F242 HydrophobicContact CG1-CE1 3.78Å |
| 233 | V | 72 | Confident | 60.7 | Low | 61 Ų | 61 | 90.3 Ų | 90.3 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.6 | 178.4 | 177 | 0 | 0 | 0 | 0 | 109.3 | A235 A241 L243 | V233-A235 PolarHBondContact O-N 3.18Å; V233-A241 PolarHBondContact N-O 2.89Å; V233-A241 PolarHBondContact O-N 3.18Å; V233-L243 HydrophobicContact CB-CD1 3.95Å; V233-L243 HydrophobicContact CG2-CD1 3.38Å |
| 234 | P | 59 | Low | 61.5 | Low | 91 Ų | 91 | 89.9 Ų | 89.9 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.6 | 172.5 | 27.2 | -31.3 | 0 | 0 | 0 | 110.1 | ||
| 235 | A | 64.8 | Low | 61.7 | Low | 32 Ų | 32 | 91.1 Ų | 91.1 | 26% | 0.264 | 51% | 0.511 | S | S | . | . | trans | -87.3 | 155.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V233 D237 G238 Q239 | V233-A235 PolarHBondContact O-N 3.18Å; A235-D237 VanDerWaalsContact CB-OD1 3.24Å; A235-D237 WeakPolarHBondContact CB-OD1 3.47Å; A235-D237 PolarHBondContact O-N 3.36Å; A235-G238 PolarHBondContact O-N 3.33Å; A235-Q239 HydrophobicContact CB-CB 4.48Å; A235-Q239 WeakPolarHBondContact CB-O 3.42Å; A235-Q239 PolarHBondContact N-O 3.34Å | ||
| 236 | T | 57.3 | Low | 61.7 | Low | 161 Ų | 161 | 86 Ų | 86 | 99% | 0.988 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.2 | -174.5 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 237 | D | 65 | Low | 61.9 | Low | 96 Ų | 96 | 87.7 Ų | 87.7 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 8.4 | 177.7 | 65.8 | -13.3 | 0 | 0 | 0 | 113 | A235 Q239 | A235-D237 VanDerWaalsContact CB-OD1 3.24Å; A235-D237 WeakPolarHBondContact CB-OD1 3.47Å; A235-D237 PolarHBondContact O-N 3.36Å; D237-Q239 VanDerWaalsContact C-N 3.29Å; D237-Q239 PolarHBondContact O-N 3.29Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.45Å; D237-Q239 PolarHBondContact OD1-N 3.37Å; D237-Q239 VanDerWaalsContact OD1-N 3.1Å; D237-Q239 PolarHBondContact OD2-NE2 2.85Å |
| 238 | G | 63.2 | Low | 62 | Low | 64 Ų | 64 | 80.7 Ų | 80.7 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 80.9 | 4.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A235 | A235-G238 PolarHBondContact O-N 3.33Š|
| 239 | Q | 66.4 | Low | 61.6 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 155 | 171.9 | -60 | -170.2 | 56 | 0 | 0 | 111.2 | A235 D237 | A235-Q239 HydrophobicContact CB-CB 4.48Å; A235-Q239 WeakPolarHBondContact CB-O 3.42Å; A235-Q239 PolarHBondContact N-O 3.34Å; D237-Q239 VanDerWaalsContact C-N 3.29Å; D237-Q239 PolarHBondContact O-N 3.29Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.45Å; D237-Q239 PolarHBondContact OD1-N 3.37Å; D237-Q239 VanDerWaalsContact OD1-N 3.1Å; D237-Q239 PolarHBondContact OD2-NE2 2.85Å |
| 240 | F | 67.2 | Low | 60.8 | Low | 133 Ų | 133 | 85.8 Ų | 85.8 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.2 | 174.5 | -62.6 | -83.5 | 0 | 0 | 0 | 109.5 | I232 | I232-F240 HydrophobicContact CG2-CB 4.14Å; I232-F240 HydrophobicContact CG2-CD1 4.03Å |
| 241 | A | 68.1 | Low | 60.6 | Low | 12 Ų | 12 | 87.4 Ų | 87.4 | 10% | 0.099 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I232 V233 | I232-A241 WeakPolarHBondContact CA-O 3.45Å; V233-A241 PolarHBondContact N-O 2.89Å; V233-A241 PolarHBondContact O-N 3.18Å |
| 242 | F | 71.6 | Confident | 59.6 | Low | 85 Ų | 85 | 90.2 Ų | 90.2 | 37% | 0.373 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.6 | 172.2 | -63 | -91 | 0 | 0 | 0 | 109.2 | I232 | I232-F242 HydrophobicContact CD1-CD1 4.14Å; I232-F242 HydrophobicContact CD1-CE1 3.65Å; I232-F242 HydrophobicContact CG1-CD1 3.76Å; I232-F242 HydrophobicContact CG1-CE1 3.78Å |
| 243 | L | 65.9 | Low | 58.9 | Low | 47 Ų | 47 | 89 Ų | 89 | 25% | 0.246 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.1 | 170.9 | -65.6 | 96.7 | 0 | 0 | 0 | 108.9 | Q231 V233 V255 | Q231-L243 HydrophobicContact CB-CB 4.19Å; Q231-L243 HydrophobicContact CB-CD1 4.34Å; Q231-L243 PolarHBondContact N-O 3.43Å; Q231-L243 WeakPolarHBondContact O-CD1 3.25Å; Q231-L243 PolarHBondContact O-N 2.97Å; V233-L243 HydrophobicContact CB-CD1 3.95Å; V233-L243 HydrophobicContact CG2-CD1 3.38Å; L243-V255 HydrophobicContact CB-CG1 3.98Å; L243-V255 HydrophobicContact CD2-CB 4.38Å; L243-V255 HydrophobicContact CD2-CG1 3.87Å; L243-V255 HydrophobicContact CG-CG1 4.1Å |
| 244 | I | 64.3 | Low | 57.8 | Low | 86 Ų | 86 | 91.5 Ų | 91.5 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | trans | -99.4 | 116.5 | 172.2 | -56.8 | 178.2 | 0 | 0 | 0 | 107.5 | F230 N246 | F230-I244 HydrophobicContact CD1-CG1 3.92Å; F230-I244 HydrophobicContact CE1-CG1 4.01Å; F230-I244 HydrophobicContact CE1-CG2 4.19Å; I244-N246 PolarHBondContact O-N 2.8Å | ||
| 245 | P | 53.1 | Low | 57.6 | Low | 95 Ų | 95 | 90.6 Ų | 90.6 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | trans | -63.2 | 118.2 | 172.4 | -16.8 | 29.2 | 0 | 0 | 0 | 109.4 | A247 | P245-A247 PolarHBondContact O-N 3.24Š| ||
| 246 | N | 49.7 | Very low | 57 | Low | 91 Ų | 91 | 94.9 Ų | 94.9 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | trans | -77.7 | 111.1 | 175.5 | -172.7 | -2.4 | 0 | 0 | 0 | 109.2 | I244 A248 F249 | I244-N246 PolarHBondContact O-N 2.8Å; N246-A248 PolarHBondContact O-N 3.19Å; N246-A248 WeakPolarHBondContact OD1-CB 3.42Å; N246-A248 PolarHBondContact OD1-N 3.17Å; N246-F249 PolarHBondContact O-N 3.37Å | ||
| 247 | A | 54.5 | Low | 56.9 | Low | 108 Ų | 108 | 90.2 Ų | 90.2 | 89% | 0.893 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P245 | P245-A247 PolarHBondContact O-N 3.24Š|
| 248 | A | 47.8 | Very low | 56.4 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 60% | 0.595 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N246 | N246-A248 PolarHBondContact O-N 3.19Å; N246-A248 WeakPolarHBondContact OD1-CB 3.42Å; N246-A248 PolarHBondContact OD1-N 3.17Å |
| 249 | F | 48.9 | Very low | 56.2 | Low | 149 Ų | 149 | 92.6 Ų | 92.6 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -135.6 | 143.7 | 178 | -69.6 | -86.3 | 0 | 0 | 0 | 111.2 | N246 | N246-F249 PolarHBondContact O-N 3.37Š|
| 250 | A | 45.5 | Very low | 55.3 | Low | 77 Ų | 77 | 92.1 Ų | 92.1 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | trans | -47.8 | 161.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N252 G253 | A250-N252 PolarHBondContact O-N 2.88Å; A250-G253 PolarHBondContact O-N 2.96Å | ||
| 251 | P | 50.6 | Low | 54.2 | Low | 131 Ų | 131 | 93 Ų | 93 | 85% | 0.851 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 3.9 | -162.6 | 22 | -33.5 | 0 | 0 | 0 | 117.6 | ||
| 252 | N | 50 | Low | 52.9 | Low | 161 Ų | 161 | 99.9 Ų | 99.9 | 86% | 0.861 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 19 | 178.2 | -58.4 | -42.3 | 0 | 0 | 0 | 113.3 | A250 | A250-N252 PolarHBondContact O-N 2.88Š|
| 253 | G | 52 | Low | 51.6 | Low | 30 Ų | 30 | 103.9 Ų | 103.9 | 31% | 0.309 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -76.4 | 156.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A250 V255 | A250-G253 PolarHBondContact O-N 2.96Å; G253-V255 PolarHBondContact O-N 3.02Å |
| 254 | P | 48.5 | Very low | 50.4 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 74% | 0.74 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 124.4 | -179.1 | 24.9 | -32 | 0 | 0 | 0 | 111.2 | ||
| 255 | V | 54.6 | Low | 49.2 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 44% | 0.442 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -86.4 | 129.9 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | L243 G253 P257 | L243-V255 HydrophobicContact CB-CG1 3.98Å; L243-V255 HydrophobicContact CD2-CB 4.38Å; L243-V255 HydrophobicContact CD2-CG1 3.87Å; L243-V255 HydrophobicContact CG-CG1 4.1Å; G253-V255 PolarHBondContact O-N 3.02Å; V255-P257 WeakPolarHBondContact O-CD 3.4Å |
| 256 | I | 53.5 | Low | 48.6 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 62% | 0.621 | 67% | 0.665 | S | S | * | * | trans | -92.5 | 113.4 | 179.3 | -56.5 | 175.9 | 0 | 0 | 0 | 108.2 | V258 | I256-V258 PolarHBondContact O-N 3.38Š| ||
| 257 | P | 53.5 | Low | 48.1 | Very low | 64 Ų | 64 | 111.7 Ų | 111.7 | 42% | 0.416 | 68% | 0.676 | S | S | . | * | trans | -71.7 | 128.7 | 174.2 | 28 | -31.4 | 0 | 0 | 0 | 109.9 | V255 Y259 | V255-P257 WeakPolarHBondContact O-CD 3.4Å; P257-Y259 HydrophobicContact CB-CE2 4.07Å; P257-Y259 HydrophobicContact CG-CE2 4.14Å | ||
| 258 | V | 55.6 | Low | 47.6 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 49% | 0.491 | 67% | 0.672 | S | S | . | * | B | Isolated β-bridge | trans | -108.7 | 119.2 | 173.8 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | I256 | I256-V258 PolarHBondContact O-N 3.38Å |
| 259 | Y | 59.1 | Low | 47.3 | Very low | 129 Ų | 129 | 115.4 Ų | 115.4 | 51% | 0.506 | 68% | 0.683 | S | S | . | * | trans | -95.4 | 133.8 | 178.1 | -54 | -84.6 | 0 | 0 | 0 | 109.9 | P257 N261 | P257-Y259 HydrophobicContact CB-CE2 4.07Å; P257-Y259 HydrophobicContact CG-CE2 4.14Å; Y259-N261 PolarHBondContact O-N 2.99Å; Y259-N261 VanDerWaalsContact O-N 3.11Å | ||
| 260 | A | 47 | Very low | 46.9 | Very low | 76 Ų | 76 | 114.2 Ų | 114.2 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | trans | -77.5 | 93.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | N262 | A260-N262 PolarHBondContact O-N 3.29Å; A260-N262 VanDerWaalsContact O-N 3.14Å | ||
| 261 | N | 45.1 | Very low | 46.6 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 81% | 0.807 | 70% | 0.701 | S | S | * | * | trans | -72.8 | 107.7 | -178.4 | -164.1 | 27.4 | 0 | 0 | 0 | 110.5 | Y259 | Y259-N261 PolarHBondContact O-N 2.99Å; Y259-N261 VanDerWaalsContact O-N 3.11Å | ||
| 262 | N | 39.5 | Very low | 45.8 | Very low | 157 Ų | 157 | 114 Ų | 114 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -86.7 | 124 | 167 | -148.7 | 18.5 | 0 | 0 | 0 | 108 | A260 S264 | A260-N262 PolarHBondContact O-N 3.29Å; A260-N262 VanDerWaalsContact O-N 3.14Å; N262-S264 PolarHBondContact O-N 3.41Å | ||
| 263 | M | 44.5 | Very low | 45.1 | Very low | 168 Ų | 168 | 113 Ų | 113 | 83% | 0.828 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -54.1 | 119.4 | -172 | -172.8 | 107.4 | 78.8 | 0 | 0 | 112.4 | ||
| 264 | S | 40.6 | Very low | 44.3 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | 163.7 | 102.4 | 136.4 | -72.6 | 0 | 0 | 0 | 0 | 111.3 | N262 | N262-S264 PolarHBondContact O-N 3.41Š| ||
| 265 | T | 38.7 | Very low | 43.9 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 166.4 | 139.1 | 143.8 | 33.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 266 | P | 42.3 | Very low | 42.8 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -90.4 | 121.8 | 172.6 | 32.3 | -25.6 | 0 | 0 | 0 | 110.2 | ||||
| 267 | V | 38.6 | Very low | 42 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -127.7 | 134.6 | 170.6 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 268 | P | 44.1 | Very low | 41.4 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 137.5 | -163.6 | 30.1 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 269 | V | 41.7 | Very low | 40.9 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 136 | 170.5 | -125 | 0 | 0 | 0 | 0 | 109.2 | ||
| 270 | P | 40.6 | Very low | 40 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.9 | 175 | 6.6 | 5.3 | 0 | 0 | 0 | 111.1 | ||
| 271 | A | 37.8 | Very low | 39.3 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 127.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 272 | A | 33.5 | Very low | 39.4 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -108.4 | 116 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 273 | V | 37 | Very low | 39.3 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -52.7 | 130.2 | 179.9 | 43.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 274 | S | 34.1 | Very low | 39.7 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -136.2 | 135.6 | 157.6 | -89.1 | 0 | 0 | 0 | 0 | 109.1 | G276 | S274-G276 PolarHBondContact O-N 2.94Š| ||
| 275 | P | 40.5 | Very low | 40 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 117.3 | 180 | 30.6 | -26.9 | 0 | 0 | 0 | 111.6 | ||||
| 276 | G | 32 | Very low | 40.5 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 75 | 97.9 | 133 | 0 | 0 | 0 | 0 | 0 | 119.2 | S274 | S274-G276 PolarHBondContact O-N 2.94Š| ||
| 277 | A | 36.3 | Very low | 40.9 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -118.7 | 138.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 278 | P | 41.3 | Very low | 41.8 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -86.7 | 139.5 | 165.7 | 32.8 | -27.7 | 0 | 0 | 0 | 110.8 | ||||
| 279 | S | 44.2 | Very low | 42.2 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -71.8 | 164.5 | 176.8 | -81.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 280 | A | 40.2 | Very low | 42.2 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | 89.2 | 105.4 | 160 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 281 | N | 33.6 | Very low | 42.3 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -178 | 139.6 | 84.1 | -102.7 | -44.9 | 0 | 0 | 0 | 110.7 | D283 | N281-D283 PolarHBondContact O-N 3.23Š| |||
| 282 | T | 47.3 | Very low | 42.5 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 113.3 | 160.3 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 283 | D | 37.4 | Very low | 43 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -162.7 | 141.9 | 140.4 | -154.1 | -109.5 | 0 | 0 | 0 | 111.7 | N281 V285 | N281-D283 PolarHBondContact O-N 3.23Å; D283-V285 PolarHBondContact O-N 2.68Å | ||
| 284 | S | 52.7 | Low | 43.4 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -66.3 | 113.7 | -177.8 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 285 | V | 46.6 | Very low | 44 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 58% | 0.576 | 77% | 0.772 | S | S | * | * | trans | -141.5 | 75.1 | 156.1 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | D283 R287 | D283-V285 PolarHBondContact O-N 2.68Å; V285-R287 HydrophobicContact CG1-CB 4.24Å; V285-R287 VanDerWaalsContact CG1-CD 3.44Å; V285-R287 HydrophobicContact CG1-CG 3.44Å; V285-R287 VanDerWaalsContact CG1-CG 3.44Å; V285-R287 PolarHBondContact O-N 3.04Å; V285-R287 VanDerWaalsContact O-N 3.16Å | ||
| 286 | W | 48.1 | Very low | 44.3 | Very low | 244 Ų | 244 | 132.9 Ų | 132.9 | 92% | 0.924 | 77% | 0.768 | S | S | * | * | trans | -64 | 108.7 | 151.3 | -119.3 | 93.9 | 0 | 0 | 0 | 106.9 | ||||
| 287 | R | 52.3 | Low | 45.2 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -110.6 | 112.9 | 168.1 | -88.6 | 171.4 | -168.4 | -83.6 | -0.7 | 107.8 | V285 W289 | V285-R287 HydrophobicContact CG1-CB 4.24Å; V285-R287 VanDerWaalsContact CG1-CD 3.44Å; V285-R287 HydrophobicContact CG1-CG 3.44Å; V285-R287 VanDerWaalsContact CG1-CG 3.44Å; V285-R287 PolarHBondContact O-N 3.04Å; V285-R287 VanDerWaalsContact O-N 3.16Å; R287-W289 VanDerWaalsContact O-CD1 3.3Å; R287-W289 PolarHBondContact O-N 2.92Å | ||
| 288 | P | 56.8 | Low | 46 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -69.4 | 129.5 | 167.7 | 7.4 | 6.3 | 0 | 0 | 0 | 107.6 | ||||
| 289 | W | 51.5 | Low | 46.4 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -122.5 | 0 | 167.3 | 44.2 | -100.6 | 0 | 0 | 0 | 107.9 | E55 R58 R287 | E55-W289 VanDerWaalsContact OE1-CE3 3.25Å; E55-W289 WeakPolarHBondContact OE1-CZ3 3.39Å; E55-W289 WeakPolarHBondContact OE2-CH2 2.92Å; E55-W289 WeakPolarHBondContact OE2-CZ3 2.75Å; R58-W289 HydrophobicContact CB-CH2 4.36Å; R58-W289 HydrophobicContact CG-CH2 4.15Å; R58-W289 VanDerWaalsContact CZ-CZ2 3.5Å; R58-W289 VanDerWaalsContact NH1-CH2 3.26Å; R287-W289 VanDerWaalsContact O-CD1 3.3Å; R287-W289 PolarHBondContact O-N 2.92Å |
Retrieved 289 of 289 residues in 588.4 ms
(Link to these results)