| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 35.7 | Very low | 241 Ų | 241 | 163 Ų | 163 | 100% | 1.187 | 80% | 0.8 | S | S | * | * | 0 | 107.9 | 0 | -66 | 164.2 | 175.9 | 0 | 0 | 105.9 | |||||
| 2 | N | 34.5 | Very low | 35.9 | Very low | 136 Ų | 136 | 161.2 Ų | 161.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | 87.5 | 115.7 | 49.3 | -163.9 | 7.1 | 0 | 0 | 0 | 111.9 | ||||
| 3 | R | 37.2 | Very low | 36.1 | Very low | 195 Ų | 195 | 163.5 Ų | 163.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 68.2 | 155.2 | 167.7 | -72.9 | 153.6 | -179.8 | -129.7 | -1.2 | 118 | ||||
| 4 | H | 38.8 | Very low | 36.3 | Very low | 154 Ų | 154 | 160.6 Ų | 160.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | cis | -129.4 | 153.3 | -1 | -71.4 | -86.2 | 0 | 0 | 0 | 108.8 | ||||
| 5 | L | 41.3 | Very low | 36.6 | Very low | 133 Ų | 133 | 160.2 Ų | 160.2 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | cis | 84.6 | 78.1 | 24.5 | -131.5 | 178.4 | 0 | 0 | 0 | 116.7 | K7 | L5-K7 HydrophobicContact CD2-CG 4.39Š| ||
| 6 | W | 33.8 | Very low | 36.9 | Very low | 253 Ų | 253 | 158.3 Ų | 158.3 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -144.3 | 124 | 148.9 | -85 | -34.8 | 0 | 0 | 0 | 105.5 | ||||
| 7 | K | 35.3 | Very low | 36.9 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 70% | 0.7 | 79% | 0.791 | S | S | * | * | cis | 55.3 | 97.2 | 38 | -84.2 | -161.2 | 175.8 | -164.2 | 0 | 113.6 | L5 | L5-K7 HydrophobicContact CD2-CG 4.39Š| ||
| 8 | S | 34.6 | Very low | 36.6 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -123.8 | 135.3 | 146 | -167.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 9 | Q | 33.8 | Very low | 36.6 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 146.1 | -167.9 | -172 | 177.5 | -13.1 | 0 | 0 | 107.7 | ||||
| 10 | L | 34.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | trans | 69.2 | 120.2 | 170.1 | -71.4 | 149.6 | 0 | 0 | 0 | 118.6 | E12 | L10-E12 HydrophobicContact CD2-CG 3.72Å; L10-E12 WeakPolarHBondContact CD2-OE2 3.48Å | ||
| 11 | C | 31.3 | Very low | 37 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 91% | 0.905 | 79% | 0.792 | S | S | * | * | -142 | 115.3 | 105.2 | -141.2 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 12 | E | 38.2 | Very low | 36.7 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | -75.7 | 148 | 170.7 | -74.1 | 159.3 | 123.7 | 0 | 0 | 110.5 | L10 | L10-E12 HydrophobicContact CD2-CG 3.72Å; L10-E12 WeakPolarHBondContact CD2-OE2 3.48Å | ||
| 13 | M | 38.8 | Very low | 36.8 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 94% | 0.941 | 78% | 0.78 | S | S | * | * | trans | -136.3 | 99.4 | 156.5 | -80.3 | -84 | -80.4 | 0 | 0 | 107.2 | ||||
| 14 | V | 39.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -85.5 | 153.7 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 15 | Q | 41 | Very low | 36.4 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -60.6 | 170.7 | 179.1 | -55.7 | 176.7 | -41.4 | 0 | 0 | 113.9 | ||||
| 16 | P | 40.1 | Very low | 36 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -104.8 | 124.4 | 133.7 | 32.6 | -26.8 | 0 | 0 | 0 | 111 | ||||
| 17 | S | 36.9 | Very low | 36 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 146.6 | 167.3 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 18 | G | 31.7 | Very low | 35.9 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -177.6 | 88.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 19 | G | 37.8 | Very low | 35.8 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -79.1 | -163.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 20 | P | 45.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -115.8 | 163.8 | 21.2 | 11.3 | 14.5 | 0 | 0 | 0 | 112.8 | ||||
| 21 | A | 34.5 | Very low | 35.9 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | 85 | 148 | 53 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 22 | A | 32.8 | Very low | 36.3 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 90 | 111.4 | 169 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 23 | D | 36.1 | Very low | 36.2 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 141.4 | 140.3 | -68.5 | -59.4 | 0 | 0 | 0 | 109.9 | ||||
| 24 | Q | 33.2 | Very low | 35.9 | Very low | 188 Ų | 188 | 125.6 Ų | 125.6 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | -179 | 154.2 | 116.3 | -101.5 | 176.7 | 12.6 | 0 | 0 | 112.7 | |||||
| 25 | D | 33.6 | Very low | 35.7 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -53.8 | 155.2 | 167.8 | -63.3 | -75.3 | 0 | 0 | 0 | 113 | ||||
| 26 | V | 33 | Very low | 36.1 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | -178 | 145.8 | 112.7 | 148.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 27 | L | 35.2 | Very low | 35.7 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -36.9 | 154.6 | 173.8 | -62.5 | 148.4 | 0 | 0 | 0 | 119.1 | ||||
| 28 | G | 33.2 | Very low | 35.6 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 167.9 | 106.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 29 | E | 30.9 | Very low | 35.5 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 40.7 | 121.5 | 77.8 | -59.2 | -151.5 | 105.3 | 0 | 0 | 111.2 | |||||
| 30 | E | 30.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | -128.3 | 144.4 | 56.5 | -56.3 | -75.7 | 90.9 | 0 | 0 | 114.3 | |||||
| 31 | S | 40.5 | Very low | 34.7 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -93 | 152.4 | 153.6 | -165.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 32 | P | 39.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | -131.7 | 128.7 | 120.1 | 9 | 11.9 | 0 | 0 | 0 | 111.4 | |||||
| 33 | L | 35.9 | Very low | 34.8 | Very low | 148 Ų | 148 | 140 Ų | 140 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | 62.1 | 111 | 73.1 | -85.7 | 165.4 | 0 | 0 | 0 | 115 | |||||
| 34 | G | 32.3 | Very low | 35.1 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 146.6 | 71.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 35 | K | 33.9 | Very low | 36 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | 55.3 | 139.4 | 66 | -88.1 | -167.7 | 179.4 | -179.7 | 0 | 114.6 | |||||
| 36 | P | 49.8 | Very low | 36.1 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -100.2 | 150.1 | -157.1 | 38.3 | -35.1 | 0 | 0 | 0 | 114.8 | ||||
| 37 | A | 32.2 | Very low | 36.8 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -152.9 | 115.3 | 155 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 38 | M | 34.8 | Very low | 37.8 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | 53 | 85.6 | 77.8 | -79.4 | -74.8 | -69.1 | 0 | 0 | 113.5 | |||||
| 39 | L | 30.2 | Very low | 39 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 78% | 0.776 | S | S | * | * | trans | -146.1 | 144.5 | 143.5 | -82.4 | -169.6 | 0 | 0 | 0 | 111.7 | ||||
| 40 | H | 33.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 168.4 | -168.7 | -104 | 118.2 | 0 | 0 | 0 | 115.6 | ||||
| 41 | L | 31.4 | Very low | 42.1 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -42.5 | 143.2 | 151.8 | -81.3 | 68.9 | 0 | 0 | 0 | 111.5 | ||||
| 42 | P | 36.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -130.9 | 110 | 118.1 | 11.4 | 9.4 | 0 | 0 | 0 | 112.4 | |||||
| 43 | S | 32.7 | Very low | 44.9 | Very low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | trans | 44.5 | 130.3 | 142 | -137 | 0 | 0 | 0 | 0 | 121.8 | G46 | S43-G46 VanDerWaalsContact O-CA 3.31Å; S43-G46 WeakPolarHBondContact O-CA 3.46Å; S43-G46 PolarHBondContact O-N 2.76Å | ||
| 44 | E | 43.8 | Very low | 46.6 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -52.2 | 159.1 | 138.6 | -75.9 | -157.6 | 135.1 | 0 | 0 | 110.4 | G46 | E44-G46 VanDerWaalsContact C-CA 3.43Š|
| 45 | Q | 51.5 | Low | 48.7 | Very low | 204 Ų | 204 | 136 Ų | 136 | 95% | 0.953 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 55.9 | 45.6 | -155.2 | -54.6 | 158.1 | -48.1 | 0 | 0 | 112 | ||
| 46 | G | 34.8 | Very low | 50.7 | Low | 52 Ų | 52 | 131.9 Ų | 131.9 | 54% | 0.536 | 73% | 0.729 | S | S | . | * | S | Bend | cis | 133 | 153.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S43 E44 | S43-G46 VanDerWaalsContact O-CA 3.31Å; S43-G46 WeakPolarHBondContact O-CA 3.46Å; S43-G46 PolarHBondContact O-N 2.76Å; E44-G46 VanDerWaalsContact C-CA 3.43Å |
| 47 | A | 48.4 | Very low | 52 | Low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -164.8 | 153.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | P | 56 | Low | 54.1 | Low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | trans | -115.3 | 17.5 | -175.7 | 41.1 | -32.6 | 0 | 0 | 0 | 116.7 | ||||
| 49 | E | 58.1 | Low | 56.2 | Low | 165 Ų | 165 | 126.5 Ų | 126.5 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | trans | -92.2 | -24 | -165.5 | -66.8 | 176.8 | 164.7 | 0 | 0 | 116.4 | L51 | E49-L51 PolarHBondContact O-N 3.39Š| ||
| 50 | T | 63.1 | Low | 58.6 | Low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76 | -22 | -175.4 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | Q52 | T50-Q52 VanDerWaalsContact C-N 3.29Å; T50-Q52 PolarHBondContact O-N 3.2Å |
| 51 | L | 64.2 | Low | 61 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 68% | 0.681 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.7 | -30.6 | -178.1 | -156 | 78.9 | 0 | 0 | 0 | 112.3 | E49 L55 | E49-L51 PolarHBondContact O-N 3.39Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 2.94Å |
| 52 | Q | 69 | Low | 63.3 | Low | 128 Ų | 128 | 121.3 Ų | 121.3 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.9 | -39.3 | -171 | -170.4 | 154.5 | -24.2 | 0 | 0 | 113.2 | T50 C54 L55 E56 | T50-Q52 VanDerWaalsContact C-N 3.29Å; T50-Q52 PolarHBondContact O-N 3.2Å; Q52-C54 PolarHBondContact O-N 3.11Å; Q52-L55 WeakPolarHBondContact O-CB 3.5Å; Q52-L55 PolarHBondContact O-N 3.34Å; Q52-E56 PolarHBondContact O-N 3.44Å; Q52-E56 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 70.3 | Confident | 65.5 | Low | 178 Ų | 178 | 117.9 Ų | 117.9 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.7 | -37.8 | 179.6 | -163.3 | -178.3 | -53.9 | 175.8 | 6 | 113 | L55 E56 E57 | R53-L55 VanDerWaalsContact C-N 3.28Å; R53-L55 PolarHBondContact O-N 3.47Å; R53-E56 PolarHBondContact O-N 3.48Å; R53-E57 PolarHBondContact O-N 2.92Å |
| 54 | C | 71.4 | Confident | 67.9 | Low | 84 Ų | 84 | 116.4 Ų | 116.4 | 57% | 0.568 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.2 | -33.1 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | Q52 N58 | Q52-C54 PolarHBondContact O-N 3.11Å; C54-N58 VanDerWaalsContact O-CB 3.31Å; C54-N58 WeakPolarHBondContact O-CB 3.33Å; C54-N58 PolarHBondContact O-N 3.39Å |
| 55 | L | 75.9 | Confident | 69.6 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.4 | -39 | 174.2 | -68.4 | 169.2 | 0 | 0 | 0 | 111.8 | L51 Q52 R53 N58 Q59 | L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 2.94Å; Q52-L55 WeakPolarHBondContact O-CB 3.5Å; Q52-L55 PolarHBondContact O-N 3.34Å; R53-L55 VanDerWaalsContact C-N 3.28Å; R53-L55 PolarHBondContact O-N 3.47Å; L55-N58 PolarHBondContact O-N 3.17Å; L55-Q59 VanDerWaalsContact O-CB 3.31Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 PolarHBondContact O-N 3.17Å |
| 56 | E | 76.6 | Confident | 71.2 | Confident | 103 Ų | 103 | 110 Ų | 110 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.7 | -50.1 | 175.4 | -71.7 | 166.6 | 172 | 0 | 0 | 111.5 | Q52 R53 N58 Q59 E60 | Q52-E56 PolarHBondContact O-N 3.44Å; Q52-E56 VanDerWaalsContact O-N 3.12Å; R53-E56 PolarHBondContact O-N 3.48Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3.34Å; E56-Q59 WeakPolarHBondContact O-CA 3.26Å; E56-Q59 WeakPolarHBondContact O-CB 3.38Å; E56-Q59 PolarHBondContact O-N 3.43Å; E56-E60 PolarHBondContact O-N 3.43Å |
| 57 | E | 76.8 | Confident | 73.7 | Confident | 113 Ų | 113 | 113.8 Ų | 113.8 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.6 | -36.5 | 175.7 | -70.6 | 173.7 | -168.3 | 0 | 0 | 112.4 | R53 Q59 L61 | R53-E57 PolarHBondContact O-N 2.92Å; E57-Q59 VanDerWaalsContact C-N 3.33Å; E57-L61 WeakPolarHBondContact O-CB 3.28Å; E57-L61 PolarHBondContact O-N 2.82Å |
| 58 | N | 76.6 | Confident | 75.4 | Confident | 73 Ų | 73 | 113.2 Ų | 113.2 | 39% | 0.39 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.3 | -32.1 | 174.8 | -154.8 | -99.5 | 0 | 0 | 0 | 112.3 | C54 L55 E56 R62 | C54-N58 VanDerWaalsContact O-CB 3.31Å; C54-N58 WeakPolarHBondContact O-CB 3.33Å; C54-N58 PolarHBondContact O-N 3.39Å; L55-N58 PolarHBondContact O-N 3.17Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3.34Å; N58-R62 WeakPolarHBondContact O-CD 3.43Å; N58-R62 WeakPolarHBondContact O-CG 3.29Å; N58-R62 PolarHBondContact O-N 3.36Å; N58-R62 VanDerWaalsContact O-N 3.1Å; N58-R62 PolarHBondContact OD1-NE 3.37Å; N58-R62 PolarHBondContact OD1-NH2 2.83Å |
| 59 | Q | 79.6 | Confident | 76.9 | Confident | 91 Ų | 91 | 111.3 Ų | 111.3 | 43% | 0.425 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70 | -46.9 | 175 | -174.5 | 60.8 | 43.1 | 0 | 0 | 110.6 | L55 E56 E57 L61 R62 D63 | L55-Q59 VanDerWaalsContact O-CB 3.31Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 PolarHBondContact O-N 3.17Å; E56-Q59 WeakPolarHBondContact O-CA 3.26Å; E56-Q59 WeakPolarHBondContact O-CB 3.38Å; E56-Q59 PolarHBondContact O-N 3.43Å; E57-Q59 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 3.31Å; Q59-R62 WeakPolarHBondContact O-CB 3.26Å; Q59-R62 PolarHBondContact O-N 3.08Å; Q59-D63 PolarHBondContact NE2-OD1 3.16Å; Q59-D63 PolarHBondContact NE2-OD2 3.21Å; Q59-D63 VanDerWaalsContact NE2-OD2 3.12Å; Q59-D63 VanDerWaalsContact O-CG 3.3Å; Q59-D63 PolarHBondContact O-N 3.49Å |
| 60 | E | 80.7 | Confident | 78.3 | Confident | 140 Ų | 140 | 107.3 Ų | 107.3 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 174.6 | -71.3 | -175.6 | 173.9 | 0 | 0 | 112.1 | E56 R62 D63 A64 | E56-E60 PolarHBondContact O-N 3.43Å; E60-R62 PolarHBondContact O-N 2.92Å; E60-D63 PolarHBondContact O-N 3.42Å; E60-D63 VanDerWaalsContact O-N 3.14Å; E60-A64 WeakPolarHBondContact O-CB 3.48Å; E60-A64 PolarHBondContact O-N 3.37Å |
| 61 | L | 82.4 | Confident | 79.5 | Confident | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 174 | -95.9 | 157.7 | 0 | 0 | 0 | 112.5 | E57 Q59 D63 I65 | E57-L61 WeakPolarHBondContact O-CB 3.28Å; E57-L61 PolarHBondContact O-N 2.82Å; Q59-L61 PolarHBondContact O-N 3.31Å; L61-D63 VanDerWaalsContact C-N 3.28Å; L61-D63 PolarHBondContact O-N 2.9Å; L61-I65 VanDerWaalsContact O-CB 3.27Å; L61-I65 WeakPolarHBondContact O-CB 3.49Å; L61-I65 WeakPolarHBondContact O-CD1 3.43Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 2.69Å |
| 62 | R | 80.8 | Confident | 80.6 | Confident | 147 Ų | 147 | 104.2 Ų | 104.2 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.4 | -33 | 174.6 | -73.1 | 167.5 | -167.4 | -126.7 | 3.8 | 112.2 | N58 Q59 E60 R66 | N58-R62 WeakPolarHBondContact O-CD 3.43Å; N58-R62 WeakPolarHBondContact O-CG 3.29Å; N58-R62 PolarHBondContact O-N 3.36Å; N58-R62 VanDerWaalsContact O-N 3.1Å; N58-R62 PolarHBondContact OD1-NE 3.37Å; N58-R62 PolarHBondContact OD1-NH2 2.83Å; Q59-R62 WeakPolarHBondContact O-CB 3.26Å; Q59-R62 PolarHBondContact O-N 3.08Å; E60-R62 PolarHBondContact O-N 2.92Å; R62-R66 WeakPolarHBondContact O-CB 3.39Å; R62-R66 WeakPolarHBondContact O-CG 3.45Å; R62-R66 PolarHBondContact O-N 3.01Å |
| 63 | D | 82.4 | Confident | 81.5 | Confident | 52 Ų | 52 | 104.6 Ų | 104.6 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -78.7 | -40.3 | -179.8 | -68.9 | -20 | 0 | 0 | 0 | 111.6 | Q59 E60 L61 R66 Q67 | Q59-D63 PolarHBondContact NE2-OD1 3.16Å; Q59-D63 PolarHBondContact NE2-OD2 3.21Å; Q59-D63 VanDerWaalsContact NE2-OD2 3.12Å; Q59-D63 VanDerWaalsContact O-CG 3.3Å; Q59-D63 PolarHBondContact O-N 3.49Å; E60-D63 PolarHBondContact O-N 3.42Å; E60-D63 VanDerWaalsContact O-N 3.14Å; L61-D63 VanDerWaalsContact C-N 3.28Å; L61-D63 PolarHBondContact O-N 2.9Å; D63-R66 PolarHBondContact O-N 3.17Å; D63-R66 IonicContact OD1-CZ 3.08Å; D63-R66 IonicContact OD1-NE 3.17Å; D63-R66 PolarHBondContact OD1-NE 3.34Å; D63-R66 IonicContact OD1-NH2 2.58Å; D63-R66 PolarHBondContact OD1-NH2 2.85Å; D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 WeakPolarHBondContact O-CG 3.48Å; D63-Q67 PolarHBondContact O-N 3.43Å |
| 64 | A | 83.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E60 Q67 S68 | E60-A64 WeakPolarHBondContact O-CB 3.48Å; E60-A64 PolarHBondContact O-N 3.37Å; A64-Q67 PolarHBondContact O-N 3.46Å; A64-S68 VanDerWaalsContact O-CB 3.25Å; A64-S68 WeakPolarHBondContact O-CB 3.49Å; A64-S68 PolarHBondContact O-N 2.97Å |
| 65 | I | 80.8 | Confident | 83.3 | Confident | 97 Ų | 97 | 103.2 Ų | 103.2 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 173.8 | -72.1 | 168.9 | 0 | 0 | 0 | 110.8 | L61 N69 | L61-I65 VanDerWaalsContact O-CB 3.27Å; L61-I65 WeakPolarHBondContact O-CB 3.49Å; L61-I65 WeakPolarHBondContact O-CD1 3.43Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 2.69Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.3Å; I65-N69 WeakPolarHBondContact O-CB 3.47Å; I65-N69 PolarHBondContact O-N 2.91Å; I65-N69 PolarHBondContact O-ND2 2.86Å |
| 66 | R | 85.4 | Confident | 83.9 | Confident | 148 Ų | 148 | 101 Ų | 101 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 172.8 | -89.8 | -172.3 | -79.8 | -172.3 | -10.2 | 112 | R62 D63 N69 Q70 | R62-R66 WeakPolarHBondContact O-CB 3.39Å; R62-R66 WeakPolarHBondContact O-CG 3.45Å; R62-R66 PolarHBondContact O-N 3.01Å; D63-R66 PolarHBondContact O-N 3.17Å; D63-R66 IonicContact OD1-CZ 3.08Å; D63-R66 IonicContact OD1-NE 3.17Å; D63-R66 PolarHBondContact OD1-NE 3.34Å; D63-R66 IonicContact OD1-NH2 2.58Å; D63-R66 PolarHBondContact OD1-NH2 2.85Å; R66-N69 PolarHBondContact O-N 3.37Å; R66-Q70 VanDerWaalsContact O-CB 3.29Å; R66-Q70 WeakPolarHBondContact O-CB 3.38Å; R66-Q70 PolarHBondContact O-N 3.37Å |
| 67 | Q | 86.1 | Confident | 84.6 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 177.6 | -72.2 | 176.6 | 21.2 | 0 | 0 | 111.6 | D63 A64 Q70 I71 | D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 WeakPolarHBondContact O-CG 3.48Å; D63-Q67 PolarHBondContact O-N 3.43Å; A64-Q67 PolarHBondContact O-N 3.46Å; Q67-Q70 WeakPolarHBondContact O-CB 3.41Å; Q67-Q70 PolarHBondContact O-N 3.48Å; Q67-Q70 VanDerWaalsContact O-N 3.11Å; Q67-I71 WeakPolarHBondContact O-CG1 3.46Å; Q67-I71 PolarHBondContact O-N 3.04Å |
| 68 | S | 84.6 | Confident | 85.3 | Confident | 75 Ų | 75 | 100.9 Ų | 100.9 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | A64 Q70 I71 L72 | A64-S68 VanDerWaalsContact O-CB 3.25Å; A64-S68 WeakPolarHBondContact O-CB 3.49Å; A64-S68 PolarHBondContact O-N 2.97Å; S68-Q70 VanDerWaalsContact C-N 3.26Å; S68-Q70 PolarHBondContact O-N 3.37Å; S68-I71 PolarHBondContact O-N 3.5Å; S68-L72 VanDerWaalsContact O-CB 3.28Å; S68-L72 WeakPolarHBondContact O-CB 3.33Å; S68-L72 PolarHBondContact O-N 3.03Å |
| 69 | N | 86.4 | Confident | 86 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.7 | -21.5 | 173.5 | -79.6 | -75.3 | 0 | 0 | 0 | 113.7 | I65 R66 R73 | I65-N69 WeakPolarHBondContact CG2-ND2 3.3Å; I65-N69 WeakPolarHBondContact O-CB 3.47Å; I65-N69 PolarHBondContact O-N 2.91Å; I65-N69 PolarHBondContact O-ND2 2.86Å; R66-N69 PolarHBondContact O-N 3.37Å; N69-R73 WeakPolarHBondContact O-CG 3.49Å; N69-R73 PolarHBondContact O-N 2.9Å; N69-R73 PolarHBondContact O-NE 3.18Å |
| 70 | Q | 87.9 | Confident | 86.5 | Confident | 80 Ų | 80 | 103.8 Ų | 103.8 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.3 | -51.4 | 173.7 | -176.5 | 57.7 | 29.9 | 0 | 0 | 110.3 | R66 Q67 S68 L72 R73 E74 | R66-Q70 VanDerWaalsContact O-CB 3.29Å; R66-Q70 WeakPolarHBondContact O-CB 3.38Å; R66-Q70 PolarHBondContact O-N 3.37Å; Q67-Q70 WeakPolarHBondContact O-CB 3.41Å; Q67-Q70 PolarHBondContact O-N 3.48Å; Q67-Q70 VanDerWaalsContact O-N 3.11Å; S68-Q70 VanDerWaalsContact C-N 3.26Å; S68-Q70 PolarHBondContact O-N 3.37Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 2.93Å; Q70-R73 WeakPolarHBondContact O-CB 3.23Å; Q70-R73 PolarHBondContact O-N 2.87Å; Q70-R73 VanDerWaalsContact O-N 3.08Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.36Å; Q70-E74 PolarHBondContact NE2-OE1 2.86Å; Q70-E74 WeakPolarHBondContact O-CG 3.47Å; Q70-E74 PolarHBondContact O-N 2.81Å |
| 71 | I | 88.5 | Confident | 87 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 174.3 | -66.2 | 164.6 | 0 | 0 | 0 | 110.6 | Q67 S68 R73 E74 R75 | Q67-I71 WeakPolarHBondContact O-CG1 3.46Å; Q67-I71 PolarHBondContact O-N 3.04Å; S68-I71 PolarHBondContact O-N 3.5Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 3.11Å; I71-E74 PolarHBondContact O-N 3.37Å; I71-R75 HydrophobicContact CG2-CG 4.28Å; I71-R75 WeakPolarHBondContact O-CB 3.3Å; I71-R75 VanDerWaalsContact O-CG 3.3Å; I71-R75 WeakPolarHBondContact O-CG 3.46Å; I71-R75 PolarHBondContact O-N 3.16Å |
| 72 | L | 88.3 | Confident | 87.4 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177.6 | -174 | 63 | 0 | 0 | 0 | 111.9 | S68 Q70 R75 C76 | S68-L72 VanDerWaalsContact O-CB 3.28Å; S68-L72 WeakPolarHBondContact O-CB 3.33Å; S68-L72 PolarHBondContact O-N 3.03Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 2.93Å; L72-R75 PolarHBondContact O-N 3.36Å; L72-C76 WeakPolarHBondContact O-CB 3.43Å; L72-C76 PolarHBondContact O-N 3.44Å; L72-C76 PolarHBondContact O-SG 2.99Å |
| 73 | R | 87.8 | Confident | 88 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 173.4 | -83.2 | 178.2 | -74.9 | 174.9 | 3.8 | 111.7 | N69 Q70 I71 R75 C76 E77 | N69-R73 WeakPolarHBondContact O-CG 3.49Å; N69-R73 PolarHBondContact O-N 2.9Å; N69-R73 PolarHBondContact O-NE 3.18Å; Q70-R73 WeakPolarHBondContact O-CB 3.23Å; Q70-R73 PolarHBondContact O-N 2.87Å; Q70-R73 VanDerWaalsContact O-N 3.08Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 3.11Å; R73-R75 VanDerWaalsContact C-N 3.33Å; R73-R75 PolarHBondContact O-N 2.84Å; R73-C76 CarbonylContact O-C 3.6Å; R73-C76 WeakPolarHBondContact O-CB 3.37Å; R73-C76 PolarHBondContact O-N 3.03Å; R73-C76 VanDerWaalsContact O-N 3.11Å; R73-E77 WeakPolarHBondContact O-CB 3.41Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.47Å |
| 74 | E | 88.8 | Confident | 88.4 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 175.4 | -71.4 | 163.3 | -170.7 | 0 | 0 | 111.6 | Q70 I71 E77 E78 | Q70-E74 WeakPolarHBondContact CG-OE1 3.36Å; Q70-E74 PolarHBondContact NE2-OE1 2.86Å; Q70-E74 WeakPolarHBondContact O-CG 3.47Å; Q70-E74 PolarHBondContact O-N 2.81Å; I71-E74 PolarHBondContact O-N 3.37Å; E74-E77 PolarHBondContact O-N 3.28Å; E74-E78 WeakPolarHBondContact O-CB 3.4Å; E74-E78 WeakPolarHBondContact O-CG 3.49Å; E74-E78 PolarHBondContact O-N 3.02Å |
| 75 | R | 90.1 | Very high | 88.9 | Confident | 148 Ų | 148 | 101.8 Ų | 101.8 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.1 | -35.6 | 174.3 | -68.6 | -53.2 | -172.3 | -163.8 | -5.7 | 113.3 | I71 L72 R73 E78 L79 | I71-R75 HydrophobicContact CG2-CG 4.28Å; I71-R75 WeakPolarHBondContact O-CB 3.3Å; I71-R75 VanDerWaalsContact O-CG 3.3Å; I71-R75 WeakPolarHBondContact O-CG 3.46Å; I71-R75 PolarHBondContact O-N 3.16Å; L72-R75 PolarHBondContact O-N 3.36Å; R73-R75 VanDerWaalsContact C-N 3.33Å; R73-R75 PolarHBondContact O-N 2.84Å; R75-E78 WeakPolarHBondContact CD-OE2 3.48Å; R75-E78 IonicContact CZ-OE2 3.6Å; R75-E78 IonicContact NE-OE2 3.79Å; R75-E78 IonicContact NH1-OE1 3.24Å; R75-E78 PolarHBondContact NH1-OE1 2.97Å; R75-E78 IonicContact NH1-OE2 2.67Å; R75-E78 PolarHBondContact NH1-OE2 3.37Å; R75-L79 VanDerWaalsContact O-CB 3.25Å; R75-L79 WeakPolarHBondContact O-CB 3.3Å; R75-L79 PolarHBondContact O-N 3.4Å |
| 76 | C | 88.9 | Confident | 89.5 | Confident | 66 Ų | 66 | 101.4 Ų | 101.4 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 172.3 | -75.1 | 0 | 0 | 0 | 0 | 111.6 | L72 R73 L79 L80 | L72-C76 WeakPolarHBondContact O-CB 3.43Å; L72-C76 PolarHBondContact O-N 3.44Å; L72-C76 PolarHBondContact O-SG 2.99Å; R73-C76 CarbonylContact O-C 3.6Å; R73-C76 WeakPolarHBondContact O-CB 3.37Å; R73-C76 PolarHBondContact O-N 3.03Å; R73-C76 VanDerWaalsContact O-N 3.11Å; C76-L79 PolarHBondContact O-N 3.18Å; C76-L80 WeakPolarHBondContact O-CB 3.48Å; C76-L80 VanDerWaalsContact O-CG 3.22Å; C76-L80 WeakPolarHBondContact O-CG 3.45Å; C76-L80 PolarHBondContact O-N 2.9Å |
| 77 | E | 90.3 | Very high | 89.8 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 176.5 | -73.3 | 168.4 | -163 | 0 | 0 | 111.5 | R73 E74 L79 L80 H81 | R73-E77 WeakPolarHBondContact O-CB 3.41Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.47Å; E74-E77 PolarHBondContact O-N 3.28Å; E77-L79 PolarHBondContact O-N 3.27Å; E77-L80 PolarHBondContact O-N 2.84Å; E77-H81 WeakPolarHBondContact O-CB 3.21Å; E77-H81 PolarHBondContact O-CD2 2.74Å; E77-H81 PolarHBondContact O-N 3.17Å |
| 78 | E | 91.1 | Very high | 90.2 | Very high | 104 Ų | 104 | 100.6 Ų | 100.6 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 171.5 | -77.3 | 178.1 | 171.5 | 0 | 0 | 112.1 | E74 R75 H81 F82 | E74-E78 WeakPolarHBondContact O-CB 3.4Å; E74-E78 WeakPolarHBondContact O-CG 3.49Å; E74-E78 PolarHBondContact O-N 3.02Å; R75-E78 WeakPolarHBondContact CD-OE2 3.48Å; R75-E78 IonicContact CZ-OE2 3.6Å; R75-E78 IonicContact NE-OE2 3.79Å; R75-E78 IonicContact NH1-OE1 3.24Å; R75-E78 PolarHBondContact NH1-OE1 2.97Å; R75-E78 IonicContact NH1-OE2 2.67Å; R75-E78 PolarHBondContact NH1-OE2 3.37Å; E78-H81 PolarHBondContact O-N 2.92Å; E78-F82 VanDerWaalsContact O-CB 3.32Å; E78-F82 WeakPolarHBondContact O-CB 3.26Å; E78-F82 PolarHBondContact O-N 2.81Å |
| 79 | L | 91 | Very high | 90.6 | Very high | 115 Ų | 115 | 102.9 Ų | 102.9 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -38.3 | 179.1 | -176 | 64.8 | 0 | 0 | 0 | 111.7 | R75 C76 E77 Q83 | R75-L79 VanDerWaalsContact O-CB 3.25Å; R75-L79 WeakPolarHBondContact O-CB 3.3Å; R75-L79 PolarHBondContact O-N 3.4Å; C76-L79 PolarHBondContact O-N 3.18Å; E77-L79 PolarHBondContact O-N 3.27Å; L79-Q83 VanDerWaalsContact O-CB 3.25Å; L79-Q83 WeakPolarHBondContact O-CB 3.43Å; L79-Q83 PolarHBondContact O-N 2.83Å |
| 80 | L | 90.9 | Very high | 90.9 | Very high | 110 Ų | 110 | 106.7 Ų | 106.7 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 173.9 | -74.6 | 168.9 | 0 | 0 | 0 | 111.4 | C76 E77 Q83 A84 | C76-L80 WeakPolarHBondContact O-CB 3.48Å; C76-L80 VanDerWaalsContact O-CG 3.22Å; C76-L80 WeakPolarHBondContact O-CG 3.45Å; C76-L80 PolarHBondContact O-N 2.9Å; E77-L80 PolarHBondContact O-N 2.84Å; L80-Q83 PolarHBondContact O-N 3.46Å; L80-A84 WeakPolarHBondContact O-CB 3.28Å; L80-A84 PolarHBondContact O-N 2.83Å |
| 81 | H | 90.6 | Very high | 91.2 | Very high | 136 Ų | 136 | 108.2 Ų | 108.2 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | 174 | -90 | -67.7 | 0 | 0 | 0 | 112 | E77 E78 Q83 A84 S85 | E77-H81 WeakPolarHBondContact O-CB 3.21Å; E77-H81 PolarHBondContact O-CD2 2.74Å; E77-H81 PolarHBondContact O-N 3.17Å; E78-H81 PolarHBondContact O-N 2.92Å; H81-Q83 VanDerWaalsContact C-N 3.34Å; H81-Q83 PolarHBondContact O-N 2.81Å; H81-A84 WeakPolarHBondContact O-CB 3.41Å; H81-A84 PolarHBondContact O-N 2.81Å; H81-S85 PolarHBondContact O-N 2.95Å; H81-S85 PolarHBondContact O-OG 3.03Å; H81-S85 VanDerWaalsContact O-OG 3.1Å |
| 82 | F | 92.2 | Very high | 91.5 | Very high | 124 Ų | 124 | 110 Ų | 110 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.4 | 178.1 | -105.2 | 0 | 0 | 0 | 111.6 | E78 A84 S85 Q86 | E78-F82 VanDerWaalsContact O-CB 3.32Å; E78-F82 WeakPolarHBondContact O-CB 3.26Å; E78-F82 PolarHBondContact O-N 2.81Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.48Å; F82-S85 PolarHBondContact O-N 2.84Å; F82-Q86 HydrophobicContact CD1-CG 4.23Å; F82-Q86 HydrophobicContact CD2-CG 4.26Å; F82-Q86 HydrophobicContact CE1-CG 3.9Å; F82-Q86 HydrophobicContact CE2-CG 3.92Å; F82-Q86 HydrophobicContact CG-CG 4.42Å; F82-Q86 HydrophobicContact CZ-CG 3.75Å; F82-Q86 VanDerWaalsContact CZ-NE2 3.31Å; F82-Q86 VanDerWaalsContact O-CB 3.25Å; F82-Q86 WeakPolarHBondContact O-CB 3.47Å; F82-Q86 VanDerWaalsContact O-CG 3.22Å; F82-Q86 WeakPolarHBondContact O-CG 3.25Å; F82-Q86 PolarHBondContact O-N 3.21Å |
| 83 | Q | 92.1 | Very high | 91.9 | Very high | 99 Ų | 99 | 109.3 Ų | 109.3 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -30.3 | 177.1 | -160.5 | -166.7 | 55.9 | 0 | 0 | 112.5 | L79 L80 H81 R87 | L79-Q83 VanDerWaalsContact O-CB 3.25Å; L79-Q83 WeakPolarHBondContact O-CB 3.43Å; L79-Q83 PolarHBondContact O-N 2.83Å; L80-Q83 PolarHBondContact O-N 3.46Å; H81-Q83 VanDerWaalsContact C-N 3.34Å; H81-Q83 PolarHBondContact O-N 2.81Å; Q83-R87 VanDerWaalsContact O-CG 3.32Å; Q83-R87 WeakPolarHBondContact O-CG 3.49Å; Q83-R87 PolarHBondContact O-N 3.17Å; Q83-R87 PolarHBondContact O-NE 2.97Å |
| 84 | A | 92.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 107.5 Ų | 107.5 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.7 | -52.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | L80 H81 F82 Q86 R87 E88 | L80-A84 WeakPolarHBondContact O-CB 3.28Å; L80-A84 PolarHBondContact O-N 2.83Å; H81-A84 WeakPolarHBondContact O-CB 3.41Å; H81-A84 PolarHBondContact O-N 2.81Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.48Å; A84-Q86 VanDerWaalsContact C-N 3.29Å; A84-Q86 PolarHBondContact O-N 3.44Å; A84-R87 WeakPolarHBondContact O-CA 3.19Å; A84-R87 WeakPolarHBondContact O-CB 3.4Å; A84-R87 PolarHBondContact O-N 2.97Å; A84-E88 PolarHBondContact O-N 3.05Å |
| 85 | S | 92.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 106.3 Ų | 106.3 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 177.1 | -58 | 0 | 0 | 0 | 0 | 112.6 | H81 F82 R87 E88 E89 | H81-S85 PolarHBondContact O-N 2.95Å; H81-S85 PolarHBondContact O-OG 3.03Å; H81-S85 VanDerWaalsContact O-OG 3.1Å; F82-S85 PolarHBondContact O-N 2.84Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 PolarHBondContact O-N 3.2Å; S85-E88 PolarHBondContact O-N 3.42Å; S85-E89 WeakPolarHBondContact O-CB 3.29Å; S85-E89 PolarHBondContact O-N 2.92Å |
| 86 | Q | 92.9 | Very high | 92.8 | Very high | 89 Ų | 89 | 103.3 Ų | 103.3 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -29.9 | 174.1 | -77.6 | -77.2 | 20.7 | 0 | 0 | 113.4 | F82 A84 K90 | F82-Q86 HydrophobicContact CD1-CG 4.23Å; F82-Q86 HydrophobicContact CD2-CG 4.26Å; F82-Q86 HydrophobicContact CE1-CG 3.9Å; F82-Q86 HydrophobicContact CE2-CG 3.92Å; F82-Q86 HydrophobicContact CG-CG 4.42Å; F82-Q86 HydrophobicContact CZ-CG 3.75Å; F82-Q86 VanDerWaalsContact CZ-NE2 3.31Å; F82-Q86 VanDerWaalsContact O-CB 3.25Å; F82-Q86 WeakPolarHBondContact O-CB 3.47Å; F82-Q86 VanDerWaalsContact O-CG 3.22Å; F82-Q86 WeakPolarHBondContact O-CG 3.25Å; F82-Q86 PolarHBondContact O-N 3.21Å; A84-Q86 VanDerWaalsContact C-N 3.29Å; A84-Q86 PolarHBondContact O-N 3.44Å; Q86-K90 WeakPolarHBondContact O-CB 3.26Å; Q86-K90 PolarHBondContact O-N 3.31Å; Q86-K90 VanDerWaalsContact O-N 3.16Å |
| 87 | R | 93.1 | Very high | 93.1 | Very high | 134 Ų | 134 | 107 Ų | 107 | 51% | 0.506 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -47.3 | 170.1 | -77 | -179.4 | -117.9 | 167.2 | -5.3 | 110.4 | Q83 A84 S85 K90 E91 | Q83-R87 VanDerWaalsContact O-CG 3.32Å; Q83-R87 WeakPolarHBondContact O-CG 3.49Å; Q83-R87 PolarHBondContact O-N 3.17Å; Q83-R87 PolarHBondContact O-NE 2.97Å; A84-R87 WeakPolarHBondContact O-CA 3.19Å; A84-R87 WeakPolarHBondContact O-CB 3.4Å; A84-R87 PolarHBondContact O-N 2.97Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 PolarHBondContact O-N 3.2Å; R87-K90 PolarHBondContact O-N 2.98Å; R87-E91 WeakPolarHBondContact O-CB 3.47Å; R87-E91 VanDerWaalsContact O-CG 3.31Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 3.21Å |
| 88 | E | 93.6 | Very high | 93.3 | Very high | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 178.2 | -69.3 | 173.3 | 179.7 | 0 | 0 | 112.4 | A84 S85 E91 F92 | A84-E88 PolarHBondContact O-N 3.05Å; S85-E88 PolarHBondContact O-N 3.42Å; E88-E91 PolarHBondContact O-N 2.93Å; E88-F92 WeakPolarHBondContact O-CB 3.5Å; E88-F92 PolarHBondContact O-N 2.93Å |
| 89 | E | 93.5 | Very high | 93.5 | Very high | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 175.9 | -175.9 | 175.9 | -179 | 0 | 0 | 111.3 | S85 E91 F92 L93 | S85-E89 WeakPolarHBondContact O-CB 3.29Å; S85-E89 PolarHBondContact O-N 2.92Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 2.87Å; E89-F92 PolarHBondContact O-N 3.41Å; E89-L93 VanDerWaalsContact O-CB 3.25Å; E89-L93 WeakPolarHBondContact O-CB 3.45Å; E89-L93 PolarHBondContact O-N 3.46Å |
| 90 | K | 93.2 | Very high | 93.7 | Very high | 158 Ų | 158 | 102.8 Ų | 102.8 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 176 | -177.5 | 179.7 | 177.5 | -177.6 | 0 | 112.1 | Q86 R87 M94 | Q86-K90 WeakPolarHBondContact O-CB 3.26Å; Q86-K90 PolarHBondContact O-N 3.31Å; Q86-K90 VanDerWaalsContact O-N 3.16Å; R87-K90 PolarHBondContact O-N 2.98Å; K90-M94 WeakPolarHBondContact O-CB 3.39Å; K90-M94 PolarHBondContact O-N 3.24Å |
| 91 | E | 93.9 | Very high | 93.9 | Very high | 113 Ų | 113 | 105.7 Ų | 105.7 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 176.1 | -76.4 | 173.7 | -161.3 | 0 | 0 | 111.4 | R87 E88 E89 M94 C95 | R87-E91 WeakPolarHBondContact O-CB 3.47Å; R87-E91 VanDerWaalsContact O-CG 3.31Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 3.21Å; E88-E91 PolarHBondContact O-N 2.93Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 2.87Å; E91-M94 PolarHBondContact O-N 2.91Å; E91-C95 WeakPolarHBondContact O-CB 3.49Å; E91-C95 PolarHBondContact O-N 3.46Å; E91-C95 PolarHBondContact O-SG 2.93Å; E91-C95 VanDerWaalsContact O-SG 3.37Å |
| 92 | F | 94.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.8 | -48.7 | 173.3 | 174.7 | -97.8 | 0 | 0 | 0 | 111.7 | E88 E89 M94 C95 K96 | E88-F92 WeakPolarHBondContact O-CB 3.5Å; E88-F92 PolarHBondContact O-N 2.93Å; E89-F92 PolarHBondContact O-N 3.41Å; F92-M94 VanDerWaalsContact C-N 3.35Å; F92-M94 PolarHBondContact O-N 3.38Å; F92-C95 WeakPolarHBondContact O-CB 3.37Å; F92-C95 PolarHBondContact O-N 2.94Å; F92-K96 HydrophobicContact CD1-CG 4.24Å; F92-K96 HydrophobicContact CE1-CG 3.81Å; F92-K96 HydrophobicContact CE2-CD 4.39Å; F92-K96 HydrophobicContact CE2-CG 4.14Å; F92-K96 HydrophobicContact CZ-CD 4.09Å; F92-K96 HydrophobicContact CZ-CG 3.77Å; F92-K96 WeakPolarHBondContact O-CG 3.39Å; F92-K96 PolarHBondContact O-N 2.86Å |
| 93 | L | 95.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 180 | -167.5 | 68.1 | 0 | 0 | 0 | 111.1 | E89 K96 F97 | E89-L93 VanDerWaalsContact O-CB 3.25Å; E89-L93 WeakPolarHBondContact O-CB 3.45Å; E89-L93 PolarHBondContact O-N 3.46Å; L93-K96 PolarHBondContact O-N 3.39Å; L93-F97 HydrophobicContact CD1-CD2 4.45Å; L93-F97 HydrophobicContact CD1-CE2 4.08Å; L93-F97 HydrophobicContact CD2-CE2 4.06Å; L93-F97 HydrophobicContact CG-CD2 3.93Å; L93-F97 HydrophobicContact CG-CE2 3.72Å; L93-F97 VanDerWaalsContact O-CD2 3.23Å; L93-F97 WeakPolarHBondContact O-CD2 3.46Å; L93-F97 PolarHBondContact O-N 3.46Å |
| 94 | M | 94.4 | Very high | 94.5 | Very high | 98 Ų | 98 | 102.8 Ų | 102.8 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 171.8 | 179 | 177.9 | 63.4 | 0 | 0 | 111.6 | K90 E91 F92 F97 Q98 | K90-M94 WeakPolarHBondContact O-CB 3.39Å; K90-M94 PolarHBondContact O-N 3.24Å; E91-M94 PolarHBondContact O-N 2.91Å; F92-M94 VanDerWaalsContact C-N 3.35Å; F92-M94 PolarHBondContact O-N 3.38Å; M94-F97 PolarHBondContact O-N 3.01Å; M94-Q98 VanDerWaalsContact O-CG 3.32Å; M94-Q98 WeakPolarHBondContact O-CG 3.36Å; M94-Q98 PolarHBondContact O-N 2.9Å |
| 95 | C | 95.1 | Very high | 94.6 | Very high | 60 Ų | 60 | 105.5 Ų | 105.5 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.7 | -76 | 0 | 0 | 0 | 0 | 111.7 | E91 F92 Q98 E99 | E91-C95 WeakPolarHBondContact O-CB 3.49Å; E91-C95 PolarHBondContact O-N 3.46Å; E91-C95 PolarHBondContact O-SG 2.93Å; E91-C95 VanDerWaalsContact O-SG 3.37Å; F92-C95 WeakPolarHBondContact O-CB 3.37Å; F92-C95 PolarHBondContact O-N 2.94Å; C95-Q98 PolarHBondContact O-N 3.49Å; C95-E99 WeakPolarHBondContact O-CG 3.45Å; C95-E99 PolarHBondContact O-N 3.32Å |
| 96 | K | 95.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 108.6 Ų | 108.6 | 37% | 0.37 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.8 | -68.5 | -69 | 151.5 | -151.1 | 0 | 112.7 | F92 L93 E99 A100 | F92-K96 HydrophobicContact CD1-CG 4.24Å; F92-K96 HydrophobicContact CE1-CG 3.81Å; F92-K96 HydrophobicContact CE2-CD 4.39Å; F92-K96 HydrophobicContact CE2-CG 4.14Å; F92-K96 HydrophobicContact CZ-CD 4.09Å; F92-K96 HydrophobicContact CZ-CG 3.77Å; F92-K96 WeakPolarHBondContact O-CG 3.39Å; F92-K96 PolarHBondContact O-N 2.86Å; L93-K96 PolarHBondContact O-N 3.39Å; K96-E99 VanDerWaalsContact NZ-CD 3.32Å; K96-E99 IonicContact NZ-OE1 3.61Å; K96-E99 PolarHBondContact NZ-OE1 3.1Å; K96-E99 IonicContact NZ-OE2 3.74Å; K96-E99 PolarHBondContact NZ-OE2 2.98Å; K96-E99 PolarHBondContact O-N 3Å; K96-A100 WeakPolarHBondContact O-CB 3.39Å; K96-A100 PolarHBondContact O-N 3.21Å |
| 97 | F | 95.3 | Very high | 94.9 | Very high | 143 Ų | 143 | 108.5 Ų | 108.5 | 63% | 0.627 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 171.8 | -84.7 | -62 | 0 | 0 | 0 | 112.4 | L93 M94 R101 | L93-F97 HydrophobicContact CD1-CD2 4.45Å; L93-F97 HydrophobicContact CD1-CE2 4.08Å; L93-F97 HydrophobicContact CD2-CE2 4.06Å; L93-F97 HydrophobicContact CG-CD2 3.93Å; L93-F97 HydrophobicContact CG-CE2 3.72Å; L93-F97 VanDerWaalsContact O-CD2 3.23Å; L93-F97 WeakPolarHBondContact O-CD2 3.46Å; L93-F97 PolarHBondContact O-N 3.46Å; M94-F97 PolarHBondContact O-N 3.01Å; F97-R101 VanDerWaalsContact O-CB 3.22Å; F97-R101 WeakPolarHBondContact O-CB 3.33Å; F97-R101 PolarHBondContact O-N 3.14Å |
| 98 | Q | 95.4 | Very high | 95 | Very high | 89 Ų | 89 | 103.6 Ų | 103.6 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 174.8 | -71.5 | 179 | 28.1 | 0 | 0 | 112.4 | M94 C95 K102 | M94-Q98 VanDerWaalsContact O-CG 3.32Å; M94-Q98 WeakPolarHBondContact O-CG 3.36Å; M94-Q98 PolarHBondContact O-N 2.9Å; C95-Q98 PolarHBondContact O-N 3.49Å; Q98-K102 WeakPolarHBondContact O-CB 3.46Å; Q98-K102 VanDerWaalsContact O-CG 3.26Å; Q98-K102 WeakPolarHBondContact O-CG 3.37Å; Q98-K102 PolarHBondContact O-N 3.43Å |
| 99 | E | 95.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 173.6 | -74.9 | 172.9 | -166.9 | 0 | 0 | 111.7 | C95 K96 R101 K102 L103 | C95-E99 WeakPolarHBondContact O-CG 3.45Å; C95-E99 PolarHBondContact O-N 3.32Å; K96-E99 VanDerWaalsContact NZ-CD 3.32Å; K96-E99 IonicContact NZ-OE1 3.61Å; K96-E99 PolarHBondContact NZ-OE1 3.1Å; K96-E99 IonicContact NZ-OE2 3.74Å; K96-E99 PolarHBondContact NZ-OE2 2.98Å; K96-E99 PolarHBondContact O-N 3Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 2.6Å; E99-K102 PolarHBondContact O-N 2.94Å; E99-L103 PolarHBondContact O-N 2.92Å |
| 100 | A | 94.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 101.6 Ų | 101.6 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K96 L103 V104 | K96-A100 WeakPolarHBondContact O-CB 3.39Å; K96-A100 PolarHBondContact O-N 3.21Å; A100-L103 WeakPolarHBondContact O-CB 3.48Å; A100-L103 PolarHBondContact O-N 3.08Å; A100-V104 WeakPolarHBondContact O-CG2 3.32Å; A100-V104 PolarHBondContact O-N 3.32Å |
| 101 | R | 95.1 | Very high | 95.3 | Very high | 171 Ų | 171 | 100.6 Ų | 100.6 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.9 | -48.9 | 174.8 | 179.6 | 176.3 | 170 | 172.6 | -0.3 | 111.8 | F97 E99 L103 V104 E105 | F97-R101 VanDerWaalsContact O-CB 3.22Å; F97-R101 WeakPolarHBondContact O-CB 3.33Å; F97-R101 PolarHBondContact O-N 3.14Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 2.6Å; R101-L103 PolarHBondContact O-N 2.83Å; R101-V104 PolarHBondContact O-N 2.99Å; R101-E105 HydrophobicContact CG-CG 4.45Å; R101-E105 WeakPolarHBondContact CG-OE1 3.3Å; R101-E105 IonicContact CZ-OE1 3.43Å; R101-E105 IonicContact NE-OE1 2.76Å; R101-E105 PolarHBondContact NE-OE1 3.09Å; R101-E105 IonicContact NH2-OE1 3.18Å; R101-E105 PolarHBondContact NH2-OE1 3.29Å; R101-E105 WeakPolarHBondContact O-CB 3.47Å; R101-E105 WeakPolarHBondContact O-CG 3.2Å; R101-E105 PolarHBondContact O-N 3.4Å |
| 102 | K | 96.2 | Very high | 95.4 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -35.4 | 175.9 | -74.1 | 168.3 | -178.8 | 171.4 | 0 | 112 | Q98 E99 R106 | Q98-K102 WeakPolarHBondContact O-CB 3.46Å; Q98-K102 VanDerWaalsContact O-CG 3.26Å; Q98-K102 WeakPolarHBondContact O-CG 3.37Å; Q98-K102 PolarHBondContact O-N 3.43Å; E99-K102 PolarHBondContact O-N 2.94Å; K102-R106 WeakPolarHBondContact O-CG 3.39Å; K102-R106 PolarHBondContact O-N 3.49Å |
| 103 | L | 96.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 98.4 Ų | 98.4 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 174.8 | 179.1 | 63.4 | 0 | 0 | 0 | 111.9 | E99 A100 R101 E105 R106 L107 | E99-L103 PolarHBondContact O-N 2.92Å; A100-L103 WeakPolarHBondContact O-CB 3.48Å; A100-L103 PolarHBondContact O-N 3.08Å; R101-L103 PolarHBondContact O-N 2.83Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.22Å; L103-R106 PolarHBondContact O-N 2.76Å; L103-L107 HydrophobicContact CD1-CD1 4.11Å; L103-L107 HydrophobicContact CD1-CG 4.2Å; L103-L107 HydrophobicContact CG-CD1 3.96Å; L103-L107 HydrophobicContact CG-CG 4.46Å; L103-L107 WeakPolarHBondContact O-CB 3.5Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-L107 PolarHBondContact O-N 2.89Å |
| 104 | V | 95.6 | Very high | 95.4 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 62% | 0.618 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -39.5 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | A100 R101 G108 | A100-V104 WeakPolarHBondContact O-CG2 3.32Å; A100-V104 PolarHBondContact O-N 3.32Å; R101-V104 PolarHBondContact O-N 2.99Å; V104-G108 PolarHBondContact O-N 3.39Å |
| 105 | E | 95 | Very high | 95.5 | Very high | 93 Ų | 93 | 100.2 Ų | 100.2 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 174.9 | -73.3 | 169.4 | 176.1 | 0 | 0 | 111.2 | R101 L103 G108 L109 | R101-E105 HydrophobicContact CG-CG 4.45Å; R101-E105 WeakPolarHBondContact CG-OE1 3.3Å; R101-E105 IonicContact CZ-OE1 3.43Å; R101-E105 IonicContact NE-OE1 2.76Å; R101-E105 PolarHBondContact NE-OE1 3.09Å; R101-E105 IonicContact NH2-OE1 3.18Å; R101-E105 PolarHBondContact NH2-OE1 3.29Å; R101-E105 WeakPolarHBondContact O-CB 3.47Å; R101-E105 WeakPolarHBondContact O-CG 3.2Å; R101-E105 PolarHBondContact O-N 3.4Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.22Å; E105-G108 PolarHBondContact O-N 3.31Å; E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 2.64Å |
| 106 | R | 96.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 106 Ų | 106 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -51.3 | 173.4 | -74.4 | -168.9 | -54.8 | -91.2 | 2.8 | 112.9 | K102 L103 G108 L109 E110 | K102-R106 WeakPolarHBondContact O-CG 3.39Å; K102-R106 PolarHBondContact O-N 3.49Å; L103-R106 PolarHBondContact O-N 2.76Å; R106-G108 PolarHBondContact O-N 3.18Å; R106-L109 WeakPolarHBondContact O-CB 3.45Å; R106-L109 PolarHBondContact O-N 2.95Å; R106-L109 VanDerWaalsContact O-N 3.08Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.36Å |
| 107 | L | 95.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 107.6 Ų | 107.6 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -30 | 177.4 | -70.2 | 171.8 | 0 | 0 | 0 | 112 | L103 K111 | L103-L107 HydrophobicContact CD1-CD1 4.11Å; L103-L107 HydrophobicContact CD1-CG 4.2Å; L103-L107 HydrophobicContact CG-CD1 3.96Å; L103-L107 HydrophobicContact CG-CG 4.46Å; L103-L107 WeakPolarHBondContact O-CB 3.5Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-L107 PolarHBondContact O-N 2.89Å; L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 3.36Å |
| 108 | G | 94.8 | Very high | 95.5 | Very high | 31 Ų | 31 | 107.6 Ų | 107.6 | 32% | 0.32 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V104 E105 R106 L112 | V104-G108 PolarHBondContact O-N 3.39Å; E105-G108 PolarHBondContact O-N 3.31Å; R106-G108 PolarHBondContact O-N 3.18Å; G108-L112 WeakPolarHBondContact O-CG 3.45Å; G108-L112 PolarHBondContact O-N 2.88Å; G108-L112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 96.1 | Very high | 95.4 | Very high | 110 Ų | 110 | 108 Ų | 108 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -50.8 | 174 | -66.4 | 172.2 | 0 | 0 | 0 | 111.2 | E105 R106 K111 L112 D113 | E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 2.64Å; R106-L109 WeakPolarHBondContact O-CB 3.45Å; R106-L109 PolarHBondContact O-N 2.95Å; R106-L109 VanDerWaalsContact O-N 3.08Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 2.95Å; L109-L112 WeakPolarHBondContact O-CA 3.39Å; L109-L112 WeakPolarHBondContact O-CB 3.46Å; L109-L112 PolarHBondContact O-N 2.87Å; L109-D113 PolarHBondContact O-N 3.46Å |
| 110 | E | 95.5 | Very high | 95.4 | Very high | 100 Ų | 100 | 108.1 Ų | 108.1 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.4 | -40.8 | 176.6 | -70.9 | 169.1 | -156.2 | 0 | 0 | 111.9 | R106 D113 L114 | R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.36Å; E110-D113 PolarHBondContact O-N 2.91Å; E110-L114 VanDerWaalsContact O-CB 3.3Å; E110-L114 WeakPolarHBondContact O-CB 3.39Å; E110-L114 VanDerWaalsContact O-CG 3.24Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.84Å |
| 111 | K | 95 | Very high | 95.4 | Very high | 137 Ų | 137 | 108 Ų | 108 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -33.6 | 175.6 | -179 | 177.8 | -179 | 177.3 | 0 | 113.1 | L107 L109 K115 | L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 3.36Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 2.95Å; K111-K115 WeakPolarHBondContact O-CB 3.39Å; K111-K115 VanDerWaalsContact O-CG 3.26Å; K111-K115 WeakPolarHBondContact O-CG 3.31Å; K111-K115 PolarHBondContact O-N 3.32Å; K111-K115 VanDerWaalsContact O-N 3.12Å |
| 112 | L | 95.9 | Very high | 95.4 | Very high | 108 Ų | 108 | 104.1 Ų | 104.1 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.5 | -42.5 | 174.2 | -75 | 166.1 | 0 | 0 | 0 | 110.9 | G108 L109 K115 R116 | G108-L112 WeakPolarHBondContact O-CG 3.45Å; G108-L112 PolarHBondContact O-N 2.88Å; G108-L112 VanDerWaalsContact O-N 3.08Å; L109-L112 WeakPolarHBondContact O-CA 3.39Å; L109-L112 WeakPolarHBondContact O-CB 3.46Å; L109-L112 PolarHBondContact O-N 2.87Å; L112-K115 WeakPolarHBondContact O-CB 3.47Å; L112-K115 PolarHBondContact O-N 2.96Å; L112-R116 WeakPolarHBondContact O-CB 3.24Å; L112-R116 PolarHBondContact O-N 3.18Å |
| 113 | D | 95.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 106.3 Ų | 106.3 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 177 | -71.9 | -28.9 | 0 | 0 | 0 | 111.6 | L109 E110 K115 R116 Q117 | L109-D113 PolarHBondContact O-N 3.46Å; E110-D113 PolarHBondContact O-N 2.91Å; D113-K115 VanDerWaalsContact C-N 3.32Å; D113-K115 PolarHBondContact O-N 2.78Å; D113-R116 WeakPolarHBondContact O-CB 3.23Å; D113-R116 PolarHBondContact O-N 3.13Å; D113-R116 VanDerWaalsContact O-N 3.14Å; D113-Q117 WeakPolarHBondContact O-CB 3.29Å; D113-Q117 VanDerWaalsContact O-CG 3.31Å; D113-Q117 WeakPolarHBondContact O-CG 3.38Å; D113-Q117 PolarHBondContact O-N 3.14Å |
| 114 | L | 95.9 | Very high | 95.2 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -37 | 173.9 | -74.4 | 170.5 | 0 | 0 | 0 | 112.6 | E110 K118 | E110-L114 VanDerWaalsContact O-CB 3.3Å; E110-L114 WeakPolarHBondContact O-CB 3.39Å; E110-L114 VanDerWaalsContact O-CG 3.24Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.84Å; L114-K118 WeakPolarHBondContact O-CB 3.47Å; L114-K118 PolarHBondContact O-N 3Å |
| 115 | K | 94.9 | Very high | 95.2 | Very high | 116 Ų | 116 | 105.6 Ų | 105.6 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 171.6 | -84 | 178.4 | 172.4 | -166.1 | 0 | 111.3 | K111 L112 D113 K118 E119 | K111-K115 WeakPolarHBondContact O-CB 3.39Å; K111-K115 VanDerWaalsContact O-CG 3.26Å; K111-K115 WeakPolarHBondContact O-CG 3.31Å; K111-K115 PolarHBondContact O-N 3.32Å; K111-K115 VanDerWaalsContact O-N 3.12Å; L112-K115 WeakPolarHBondContact O-CB 3.47Å; L112-K115 PolarHBondContact O-N 2.96Å; D113-K115 VanDerWaalsContact C-N 3.32Å; D113-K115 PolarHBondContact O-N 2.78Å; K115-K118 PolarHBondContact O-N 3.37Å; K115-E119 WeakPolarHBondContact O-CG 2.98Å; K115-E119 PolarHBondContact O-N 2.87Å |
| 116 | R | 95.8 | Very high | 95.1 | Very high | 182 Ų | 182 | 105.9 Ų | 105.9 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 179.3 | -169.9 | 178.5 | -171.3 | 159.6 | 3.8 | 111.7 | L112 D113 E119 Q120 | L112-R116 WeakPolarHBondContact O-CB 3.24Å; L112-R116 PolarHBondContact O-N 3.18Å; D113-R116 WeakPolarHBondContact O-CB 3.23Å; D113-R116 PolarHBondContact O-N 3.13Å; D113-R116 VanDerWaalsContact O-N 3.14Å; R116-E119 PolarHBondContact O-N 3.34Å; R116-Q120 WeakPolarHBondContact O-CB 3.32Å; R116-Q120 PolarHBondContact O-N 3.37Å |
| 117 | Q | 95.2 | Very high | 95 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 173.8 | -72.1 | 173.9 | 9.1 | 0 | 0 | 111.6 | D113 Q120 A121 | D113-Q117 WeakPolarHBondContact O-CB 3.29Å; D113-Q117 VanDerWaalsContact O-CG 3.31Å; D113-Q117 WeakPolarHBondContact O-CG 3.38Å; D113-Q117 PolarHBondContact O-N 3.14Å; Q117-Q120 PolarHBondContact O-N 2.91Å; Q117-A121 WeakPolarHBondContact O-CB 3.24Å; Q117-A121 PolarHBondContact O-N 2.93Å |
| 118 | K | 95.3 | Very high | 95 | Very high | 143 Ų | 143 | 106.7 Ų | 106.7 | 62% | 0.622 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 175.7 | -178.5 | -177.6 | 176.4 | -178.6 | 0 | 112.1 | L114 K115 Q120 A121 L122 | L114-K118 WeakPolarHBondContact O-CB 3.47Å; L114-K118 PolarHBondContact O-N 3Å; K115-K118 PolarHBondContact O-N 3.37Å; K118-Q120 VanDerWaalsContact C-N 3.32Å; K118-A121 PolarHBondContact O-N 3.5Å; K118-L122 HydrophobicContact CG-CD1 4.23Å; K118-L122 WeakPolarHBondContact O-CB 3.38Å; K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.46Å; K118-L122 PolarHBondContact O-N 2.97Å |
| 119 | E | 94.9 | Very high | 95 | Very high | 98 Ų | 98 | 111.9 Ų | 111.9 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 176.8 | -75.4 | 178 | -153.5 | 0 | 0 | 111.9 | K115 R116 R123 | K115-E119 WeakPolarHBondContact O-CG 2.98Å; K115-E119 PolarHBondContact O-N 2.87Å; R116-E119 PolarHBondContact O-N 3.34Å; E119-R123 VanDerWaalsContact O-CG 3.3Å; E119-R123 WeakPolarHBondContact O-CG 3.46Å; E119-R123 PolarHBondContact O-N 2.88Å; E119-R123 VanDerWaalsContact O-N 3.1Å; E119-R123 IonicContact OE2-NH2 2.86Å; E119-R123 PolarHBondContact OE2-NH2 3.32Å |
| 120 | Q | 94.5 | Very high | 95 | Very high | 104 Ų | 104 | 114.3 Ų | 114.3 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -50 | 174.9 | 177.7 | 171.5 | -17 | 0 | 0 | 111.4 | R116 Q117 K118 L122 R123 E124 | R116-Q120 WeakPolarHBondContact O-CB 3.32Å; R116-Q120 PolarHBondContact O-N 3.37Å; Q117-Q120 PolarHBondContact O-N 2.91Å; K118-Q120 VanDerWaalsContact C-N 3.32Å; Q120-L122 VanDerWaalsContact C-N 3.28Å; Q120-L122 PolarHBondContact O-N 3.48Å; Q120-R123 WeakPolarHBondContact O-CB 3.5Å; Q120-R123 PolarHBondContact O-N 3.15Å; Q120-E124 HydrophobicContact CG-CG 4.44Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.43Å; Q120-E124 PolarHBondContact NE2-OE1 3.34Å; Q120-E124 WeakPolarHBondContact O-CG 3.44Å; Q120-E124 PolarHBondContact O-N 3.45Å |
| 121 | A | 94.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 112.6 Ų | 112.6 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q117 K118 E124 V125 | Q117-A121 WeakPolarHBondContact O-CB 3.24Å; Q117-A121 PolarHBondContact O-N 2.93Å; K118-A121 PolarHBondContact O-N 3.5Å; A121-E124 PolarHBondContact O-N 2.98Å; A121-V125 WeakPolarHBondContact O-CB 3.48Å; A121-V125 VanDerWaalsContact O-CG2 3.32Å; A121-V125 WeakPolarHBondContact O-CG2 3.34Å; A121-V125 PolarHBondContact O-N 3.32Å |
| 122 | L | 94.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 111.6 Ų | 111.6 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 173 | -74.8 | 170.8 | 0 | 0 | 0 | 111.9 | K118 Q120 E124 V125 E126 | K118-L122 HydrophobicContact CG-CD1 4.23Å; K118-L122 WeakPolarHBondContact O-CB 3.38Å; K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.46Å; K118-L122 PolarHBondContact O-N 2.97Å; Q120-L122 VanDerWaalsContact C-N 3.28Å; Q120-L122 PolarHBondContact O-N 3.48Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 2.88Å; L122-V125 PolarHBondContact O-N 2.85Å; L122-E126 WeakPolarHBondContact O-CG 3.29Å; L122-E126 PolarHBondContact O-N 3.42Å |
| 123 | R | 94.4 | Very high | 94.8 | Very high | 160 Ų | 160 | 111.1 Ų | 111.1 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 175.3 | -68.5 | 169.9 | -164.3 | 164.4 | 12.9 | 111.9 | E119 Q120 E126 H127 | E119-R123 VanDerWaalsContact O-CG 3.3Å; E119-R123 WeakPolarHBondContact O-CG 3.46Å; E119-R123 PolarHBondContact O-N 2.88Å; E119-R123 VanDerWaalsContact O-N 3.1Å; E119-R123 IonicContact OE2-NH2 2.86Å; E119-R123 PolarHBondContact OE2-NH2 3.32Å; Q120-R123 WeakPolarHBondContact O-CB 3.5Å; Q120-R123 PolarHBondContact O-N 3.15Å; R123-E126 PolarHBondContact O-N 2.9Å; R123-H127 WeakPolarHBondContact O-CB 3.5Å; R123-H127 PolarHBondContact O-N 3.01Å |
| 124 | E | 94.5 | Very high | 94.8 | Very high | 98 Ų | 98 | 113 Ų | 113 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.1 | -72.7 | 169.4 | -171.9 | 0 | 0 | 111.4 | Q120 A121 L122 H127 L128 | Q120-E124 HydrophobicContact CG-CG 4.44Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.43Å; Q120-E124 PolarHBondContact NE2-OE1 3.34Å; Q120-E124 WeakPolarHBondContact O-CG 3.44Å; Q120-E124 PolarHBondContact O-N 3.45Å; A121-E124 PolarHBondContact O-N 2.98Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 2.88Å; E124-H127 PolarHBondContact O-N 3.46Å; E124-L128 WeakPolarHBondContact O-CB 3.39Å; E124-L128 VanDerWaalsContact O-CG 3.31Å; E124-L128 WeakPolarHBondContact O-CG 3.19Å; E124-L128 PolarHBondContact O-N 2.91Å |
| 125 | V | 94.6 | Very high | 94.7 | Very high | 71 Ų | 71 | 110.6 Ų | 110.6 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.1 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | A121 L122 L128 K129 | A121-V125 WeakPolarHBondContact O-CB 3.48Å; A121-V125 VanDerWaalsContact O-CG2 3.32Å; A121-V125 WeakPolarHBondContact O-CG2 3.34Å; A121-V125 PolarHBondContact O-N 3.32Å; L122-V125 PolarHBondContact O-N 2.85Å; V125-L128 PolarHBondContact O-N 2.88Å; V125-K129 HydrophobicContact CG1-CD 4.41Å; V125-K129 WeakPolarHBondContact O-CG 3.49Å; V125-K129 PolarHBondContact O-N 2.8Å |
| 126 | E | 94.2 | Very high | 94.8 | Very high | 98 Ų | 98 | 109.7 Ų | 109.7 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 173.7 | -76.5 | -178.9 | -160.1 | 0 | 0 | 112.2 | L122 R123 K129 R130 | L122-E126 WeakPolarHBondContact O-CG 3.29Å; L122-E126 PolarHBondContact O-N 3.42Å; R123-E126 PolarHBondContact O-N 2.9Å; E126-K129 PolarHBondContact O-N 3.3Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 3.15Å; E126-R130 IonicContact OE2-NH2 2.67Å; E126-R130 PolarHBondContact OE2-NH2 2.9Å |
| 127 | H | 94.4 | Very high | 94.8 | Very high | 117 Ų | 117 | 104.3 Ų | 104.3 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.9 | -172.8 | -81.2 | 0 | 0 | 0 | 111.2 | R123 E124 K129 R130 C131 | R123-H127 WeakPolarHBondContact O-CB 3.5Å; R123-H127 PolarHBondContact O-N 3.01Å; E124-H127 PolarHBondContact O-N 3.46Å; H127-K129 PolarHBondContact O-N 3.49Å; H127-R130 PolarHBondContact O-N 3.31Å; H127-C131 PolarHBondContact CE1-SG 2.88Å; H127-C131 PolarHBondContact O-N 3.41Å; H127-C131 PolarHBondContact O-SG 3.48Å; H127-C131 VanDerWaalsContact O-SG 3.38Å |
| 128 | L | 94.8 | Very high | 94.9 | Very high | 115 Ų | 115 | 106.5 Ų | 106.5 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 175.6 | -73.5 | 171.1 | 0 | 0 | 0 | 112.1 | E124 V125 R130 C131 Q132 | E124-L128 WeakPolarHBondContact O-CB 3.39Å; E124-L128 VanDerWaalsContact O-CG 3.31Å; E124-L128 WeakPolarHBondContact O-CG 3.19Å; E124-L128 PolarHBondContact O-N 2.91Å; V125-L128 PolarHBondContact O-N 2.88Å; L128-R130 PolarHBondContact O-N 3.04Å; L128-C131 PolarHBondContact O-N 2.62Å; L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | K | 94.9 | Very high | 94.9 | Very high | 140 Ų | 140 | 102.5 Ų | 102.5 | 61% | 0.609 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 174 | -75.3 | 179.3 | -178.3 | -174.7 | 0 | 112.4 | V125 E126 H127 Q132 Q133 | V125-K129 HydrophobicContact CG1-CD 4.41Å; V125-K129 WeakPolarHBondContact O-CG 3.49Å; V125-K129 PolarHBondContact O-N 2.8Å; E126-K129 PolarHBondContact O-N 3.3Å; H127-K129 PolarHBondContact O-N 3.49Å; K129-Q132 PolarHBondContact O-N 3.11Å; K129-Q133 PolarHBondContact O-N 3.43Å |
| 130 | R | 94.9 | Very high | 95 | Very high | 162 Ų | 162 | 100.7 Ų | 100.7 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 174.5 | -68.2 | 174.6 | -159.1 | 171.9 | 11 | 111.2 | E126 H127 L128 Q132 Q133 M134 | E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 3.15Å; E126-R130 IonicContact OE2-NH2 2.67Å; E126-R130 PolarHBondContact OE2-NH2 2.9Å; H127-R130 PolarHBondContact O-N 3.31Å; L128-R130 PolarHBondContact O-N 3.04Å; R130-Q132 VanDerWaalsContact C-N 3.33Å; R130-Q132 PolarHBondContact O-N 2.98Å; R130-Q133 PolarHBondContact O-N 3.26Å; R130-M134 WeakPolarHBondContact O-CB 3.46Å; R130-M134 VanDerWaalsContact O-CG 3.25Å; R130-M134 WeakPolarHBondContact O-CG 3.34Å; R130-M134 PolarHBondContact O-N 3.49Å |
| 131 | C | 93.8 | Very high | 95.2 | Very high | 63 Ų | 63 | 99.7 Ų | 99.7 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | H127 L128 A135 | H127-C131 PolarHBondContact CE1-SG 2.88Å; H127-C131 PolarHBondContact O-N 3.41Å; H127-C131 PolarHBondContact O-SG 3.48Å; H127-C131 VanDerWaalsContact O-SG 3.38Å; L128-C131 PolarHBondContact O-N 2.62Å; C131-A135 WeakPolarHBondContact O-CB 3.47Å; C131-A135 PolarHBondContact O-N 3.3Å |
| 132 | Q | 94.6 | Very high | 95.3 | Very high | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -50.5 | 175.8 | -179 | 178.3 | -10.4 | 0 | 0 | 111.2 | L128 K129 R130 M134 A135 E136 | L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 PolarHBondContact O-N 3.43Å; K129-Q132 PolarHBondContact O-N 3.11Å; R130-Q132 VanDerWaalsContact C-N 3.33Å; R130-Q132 PolarHBondContact O-N 2.98Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 3.23Å; Q132-A135 WeakPolarHBondContact O-CA 3.27Å; Q132-A135 WeakPolarHBondContact O-CB 3.39Å; Q132-A135 PolarHBondContact O-N 2.77Å; Q132-E136 HydrophobicContact CG-CG 4.47Å; Q132-E136 VanDerWaalsContact CG-OE1 3.27Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.3Å; Q132-E136 PolarHBondContact NE2-OE1 2.84Å; Q132-E136 WeakPolarHBondContact O-CG 3.44Å; Q132-E136 PolarHBondContact O-N 2.87Å |
| 133 | Q | 94.7 | Very high | 95.5 | Very high | 98 Ų | 98 | 103.4 Ų | 103.4 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 176.6 | -174.3 | 65.9 | 60 | 0 | 0 | 111.3 | K129 R130 A135 E136 D137 | K129-Q133 PolarHBondContact O-N 3.43Å; R130-Q133 PolarHBondContact O-N 3.26Å; Q133-A135 PolarHBondContact O-N 3.06Å; Q133-E136 PolarHBondContact O-N 3.42Å; Q133-D137 PolarHBondContact NE2-OD1 3.44Å; Q133-D137 WeakPolarHBondContact O-CB 3.44Å; Q133-D137 PolarHBondContact O-N 3.09Å |
| 134 | M | 94.7 | Very high | 95.6 | Very high | 128 Ų | 128 | 101 Ų | 101 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -28.4 | 177.4 | -68 | -58.9 | -55.1 | 0 | 0 | 113.1 | R130 Q132 K138 | R130-M134 WeakPolarHBondContact O-CB 3.46Å; R130-M134 VanDerWaalsContact O-CG 3.25Å; R130-M134 WeakPolarHBondContact O-CG 3.34Å; R130-M134 PolarHBondContact O-N 3.49Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 3.23Å; M134-K138 WeakPolarHBondContact O-CB 3.49Å; M134-K138 PolarHBondContact O-N 3.24Å; M134-K138 VanDerWaalsContact O-N 3.11Å |
| 135 | A | 95.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 100 Ų | 100 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.4 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C131 Q132 Q133 K138 A139 | C131-A135 WeakPolarHBondContact O-CB 3.47Å; C131-A135 PolarHBondContact O-N 3.3Å; Q132-A135 WeakPolarHBondContact O-CA 3.27Å; Q132-A135 WeakPolarHBondContact O-CB 3.39Å; Q132-A135 PolarHBondContact O-N 2.77Å; Q133-A135 PolarHBondContact O-N 3.06Å; A135-K138 PolarHBondContact O-N 2.91Å; A135-A139 WeakPolarHBondContact O-CB 3.21Å; A135-A139 PolarHBondContact O-N 2.97Å |
| 136 | E | 95.7 | Very high | 95.9 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 174 | -71.2 | 173.1 | -167.7 | 0 | 0 | 111.1 | Q132 Q133 K138 A139 S140 | Q132-E136 HydrophobicContact CG-CG 4.47Å; Q132-E136 VanDerWaalsContact CG-OE1 3.27Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.3Å; Q132-E136 PolarHBondContact NE2-OE1 2.84Å; Q132-E136 WeakPolarHBondContact O-CG 3.44Å; Q132-E136 PolarHBondContact O-N 2.87Å; Q133-E136 PolarHBondContact O-N 3.42Å; E136-K138 PolarHBondContact O-N 3.12Å; E136-A139 PolarHBondContact O-N 2.91Å; E136-A139 VanDerWaalsContact O-N 3.15Å; E136-S140 WeakPolarHBondContact O-CB 3.35Å; E136-S140 PolarHBondContact O-N 3.43Å |
| 137 | D | 96.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 99.1 Ų | 99.1 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.6 | -65.2 | -17.9 | 0 | 0 | 0 | 110.8 | Q133 A139 S140 V141 | Q133-D137 PolarHBondContact NE2-OD1 3.44Å; Q133-D137 WeakPolarHBondContact O-CB 3.44Å; Q133-D137 PolarHBondContact O-N 3.09Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 3.22Å; D137-S140 PolarHBondContact O-N 2.96Å; D137-V141 WeakPolarHBondContact O-CB 3.22Å; D137-V141 WeakPolarHBondContact O-CG2 3.5Å; D137-V141 PolarHBondContact O-N 3.06Å |
| 138 | K | 96.6 | Very high | 96.3 | Very high | 164 Ų | 164 | 98.6 Ų | 98.6 | 71% | 0.713 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -39.3 | 174.8 | 178.8 | 179.8 | 177.9 | -179.9 | 0 | 112.2 | M134 A135 E136 K142 | M134-K138 WeakPolarHBondContact O-CB 3.49Å; M134-K138 PolarHBondContact O-N 3.24Å; M134-K138 VanDerWaalsContact O-N 3.11Å; A135-K138 PolarHBondContact O-N 2.91Å; E136-K138 PolarHBondContact O-N 3.12Å; K138-K142 VanDerWaalsContact O-CB 3.27Å; K138-K142 WeakPolarHBondContact O-CB 3.45Å; K138-K142 PolarHBondContact O-N 3.5Å |
| 139 | A | 96.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A135 E136 D137 K142 A143 | A135-A139 WeakPolarHBondContact O-CB 3.21Å; A135-A139 PolarHBondContact O-N 2.97Å; E136-A139 PolarHBondContact O-N 2.91Å; E136-A139 VanDerWaalsContact O-N 3.15Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 3.22Å; A139-K142 PolarHBondContact O-N 3.46Å; A139-A143 WeakPolarHBondContact O-CB 3.49Å; A139-A143 PolarHBondContact O-N 3.39Å |
| 140 | S | 97.6 | Very high | 96.6 | Very high | 60 Ų | 60 | 93.3 Ų | 93.3 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | E136 D137 K142 A143 Q144 | E136-S140 WeakPolarHBondContact O-CB 3.35Å; E136-S140 PolarHBondContact O-N 3.43Å; D137-S140 PolarHBondContact O-N 2.96Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 2.92Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 VanDerWaalsContact O-N 3.17Å; S140-Q144 WeakPolarHBondContact O-CG 3.34Å; S140-Q144 PolarHBondContact O-N 3.24Å; S140-Q144 PolarHBondContact OG-NE2 3.3Å; S140-Q144 VanDerWaalsContact OG-NE2 3.09Å |
| 141 | V | 97.4 | Very high | 96.8 | Very high | 83 Ų | 83 | 90.5 Ų | 90.5 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | D137 A143 Q144 V145 | D137-V141 WeakPolarHBondContact O-CB 3.22Å; D137-V141 WeakPolarHBondContact O-CG2 3.5Å; D137-V141 PolarHBondContact O-N 3.06Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.06Å; V141-Q144 PolarHBondContact O-N 3.15Å; V141-V145 HydrophobicContact CG1-CG2 4.35Å; V141-V145 WeakPolarHBondContact O-CB 3.45Å; V141-V145 VanDerWaalsContact O-CG2 3.32Å; V141-V145 WeakPolarHBondContact O-CG2 3.15Å; V141-V145 PolarHBondContact O-N 3.44Å |
| 142 | K | 97.8 | Very high | 97 | Very high | 153 Ų | 153 | 92.7 Ų | 92.7 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 175.6 | -173.7 | -177.1 | 177.1 | -171.4 | 0 | 112 | K138 A139 S140 T146 | K138-K142 VanDerWaalsContact O-CB 3.27Å; K138-K142 WeakPolarHBondContact O-CB 3.45Å; K138-K142 PolarHBondContact O-N 3.5Å; A139-K142 PolarHBondContact O-N 3.46Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 2.92Å; K142-T146 WeakPolarHBondContact O-CB 3.26Å; K142-T146 PolarHBondContact O-N 3.24Å; K142-T146 PolarHBondContact O-OG1 3.28Å |
| 143 | A | 97.3 | Very high | 97.1 | Very high | 63 Ų | 63 | 93.7 Ų | 93.7 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A139 S140 V141 T146 S147 | A139-A143 WeakPolarHBondContact O-CB 3.49Å; A139-A143 PolarHBondContact O-N 3.39Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 VanDerWaalsContact O-N 3.17Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.06Å; A143-T146 WeakPolarHBondContact O-CB 3.49Å; A143-T146 PolarHBondContact O-N 2.88Å; A143-T146 VanDerWaalsContact O-N 3.16Å; A143-S147 PolarHBondContact O-N 3.44Å |
| 144 | Q | 98 | Very high | 97.3 | Very high | 109 Ų | 109 | 93.8 Ų | 93.8 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.8 | -69.9 | 172.8 | 44.8 | 0 | 0 | 112.1 | S140 V141 T146 S147 L148 | S140-Q144 WeakPolarHBondContact O-CG 3.34Å; S140-Q144 PolarHBondContact O-N 3.24Å; S140-Q144 PolarHBondContact OG-NE2 3.3Å; S140-Q144 VanDerWaalsContact OG-NE2 3.09Å; V141-Q144 PolarHBondContact O-N 3.15Å; Q144-T146 VanDerWaalsContact C-N 3.26Å; Q144-T146 PolarHBondContact O-N 2.94Å; Q144-S147 PolarHBondContact O-N 2.85Å; Q144-L148 WeakPolarHBondContact O-CG 3.39Å; Q144-L148 PolarHBondContact O-N 2.9Å |
| 145 | V | 98.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 91.2 Ų | 91.2 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | V141 L149 | V141-V145 HydrophobicContact CG1-CG2 4.35Å; V141-V145 WeakPolarHBondContact O-CB 3.45Å; V141-V145 VanDerWaalsContact O-CG2 3.32Å; V141-V145 WeakPolarHBondContact O-CG2 3.15Å; V141-V145 PolarHBondContact O-N 3.44Å; V145-L149 HydrophobicContact CG1-CD1 3.93Å; V145-L149 HydrophobicContact CG1-CG 4.42Å; V145-L149 WeakPolarHBondContact O-CB 3.09Å; V145-L149 VanDerWaalsContact O-CG 3.22Å; V145-L149 WeakPolarHBondContact O-CG 3.16Å; V145-L149 PolarHBondContact O-N 2.79Å |
| 146 | T | 97.3 | Very high | 97.6 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 177.9 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | K142 A143 Q144 G150 | K142-T146 WeakPolarHBondContact O-CB 3.26Å; K142-T146 PolarHBondContact O-N 3.24Å; K142-T146 PolarHBondContact O-OG1 3.28Å; A143-T146 WeakPolarHBondContact O-CB 3.49Å; A143-T146 PolarHBondContact O-N 2.88Å; A143-T146 VanDerWaalsContact O-N 3.16Å; Q144-T146 VanDerWaalsContact C-N 3.26Å; Q144-T146 PolarHBondContact O-N 2.94Å; T146-G150 PolarHBondContact O-N 3.38Å; T146-G150 VanDerWaalsContact O-N 3.13Å |
| 147 | S | 98.2 | Very high | 97.8 | Very high | 65 Ų | 65 | 92.1 Ų | 92.1 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -52.2 | 173.2 | -163.7 | 0 | 0 | 0 | 0 | 111.1 | A143 Q144 L149 G150 E151 | A143-S147 PolarHBondContact O-N 3.44Å; Q144-S147 PolarHBondContact O-N 2.85Å; S147-L149 VanDerWaalsContact C-N 3.29Å; S147-L149 PolarHBondContact O-N 2.98Å; S147-G150 CarbonylContact O-C 3.59Å; S147-G150 WeakPolarHBondContact O-CA 3.23Å; S147-G150 PolarHBondContact O-N 3.33Å; S147-E151 WeakPolarHBondContact O-CG 3.16Å; S147-E151 PolarHBondContact O-N 2.92Å; S147-E151 PolarHBondContact OG-OE1 2.66Å |
| 148 | L | 98.3 | Very high | 97.9 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -35 | -178.9 | -69.2 | 172.3 | 0 | 0 | 0 | 112.7 | Q144 L152 | Q144-L148 WeakPolarHBondContact O-CG 3.39Å; Q144-L148 PolarHBondContact O-N 2.9Å; L148-L152 VanDerWaalsContact O-CB 3.23Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 PolarHBondContact O-N 3.23Å |
| 149 | L | 98 | Very high | 98 | Very high | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 172.2 | -75.8 | 170 | 0 | 0 | 0 | 112.1 | V145 S147 Q153 | V145-L149 HydrophobicContact CG1-CD1 3.93Å; V145-L149 HydrophobicContact CG1-CG 4.42Å; V145-L149 WeakPolarHBondContact O-CB 3.09Å; V145-L149 VanDerWaalsContact O-CG 3.22Å; V145-L149 WeakPolarHBondContact O-CG 3.16Å; V145-L149 PolarHBondContact O-N 2.79Å; S147-L149 VanDerWaalsContact C-N 3.29Å; S147-L149 PolarHBondContact O-N 2.98Å; L149-Q153 WeakPolarHBondContact O-CB 3.31Å; L149-Q153 PolarHBondContact O-N 3.46Å |
| 150 | G | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 95.3 Ų | 95.3 | 38% | 0.381 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T146 S147 L152 Q153 E154 | T146-G150 PolarHBondContact O-N 3.38Å; T146-G150 VanDerWaalsContact O-N 3.13Å; S147-G150 CarbonylContact O-C 3.59Å; S147-G150 WeakPolarHBondContact O-CA 3.23Å; S147-G150 PolarHBondContact O-N 3.33Å; G150-L152 VanDerWaalsContact C-N 3.34Å; G150-L152 PolarHBondContact O-N 2.86Å; G150-Q153 PolarHBondContact O-N 3.42Å; G150-E154 PolarHBondContact O-N 2.97Å |
| 151 | E | 97.9 | Very high | 98.1 | Very high | 102 Ų | 102 | 95.1 Ų | 95.1 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.1 | -69.6 | 163.2 | -129.6 | 0 | 0 | 111.8 | S147 E154 S155 | S147-E151 WeakPolarHBondContact O-CG 3.16Å; S147-E151 PolarHBondContact O-N 2.92Å; S147-E151 PolarHBondContact OG-OE1 2.66Å; E151-E154 PolarHBondContact O-N 3.3Å; E151-S155 VanDerWaalsContact O-CB 3.24Å; E151-S155 WeakPolarHBondContact O-CB 3.36Å; E151-S155 PolarHBondContact O-N 3.22Å |
| 152 | L | 98.3 | Very high | 98.1 | Very high | 110 Ų | 110 | 93.3 Ų | 93.3 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 175 | -179.7 | 62 | 0 | 0 | 0 | 111.8 | L148 G150 S155 Q156 | L148-L152 VanDerWaalsContact O-CB 3.23Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 PolarHBondContact O-N 3.23Å; G150-L152 VanDerWaalsContact C-N 3.34Å; G150-L152 PolarHBondContact O-N 2.86Å; L152-S155 PolarHBondContact O-N 3.09Å; L152-Q156 WeakPolarHBondContact O-CB 3.35Å; L152-Q156 PolarHBondContact O-N 2.92Å |
| 153 | Q | 98.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 89 Ų | 89 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -39.3 | 177.9 | -176 | 178.5 | -2.7 | 0 | 0 | 111.8 | L149 G150 S157 | L149-Q153 WeakPolarHBondContact O-CB 3.31Å; L149-Q153 PolarHBondContact O-N 3.46Å; G150-Q153 PolarHBondContact O-N 3.42Å; Q153-S157 WeakPolarHBondContact O-CB 3.31Å; Q153-S157 PolarHBondContact O-N 3.01Å; Q153-S157 PolarHBondContact O-OG 2.91Å |
| 154 | E | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 174.4 | -170 | -177.4 | -173.9 | 0 | 0 | 111.1 | G150 E151 Q156 S157 R158 | G150-E154 PolarHBondContact O-N 2.97Å; E151-E154 PolarHBondContact O-N 3.3Å; E154-Q156 VanDerWaalsContact C-N 3.35Å; E154-Q156 PolarHBondContact O-N 3Å; E154-S157 WeakPolarHBondContact O-CB 3.28Å; E154-S157 PolarHBondContact O-N 2.89Å; E154-S157 VanDerWaalsContact O-N 3.16Å; E154-R158 VanDerWaalsContact CD-NH2 3.29Å; E154-R158 HydrophobicContact CG-CG 4.5Å; E154-R158 VanDerWaalsContact O-CG 3.32Å; E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 2.84Å; E154-R158 IonicContact OE1-CZ 3.17Å; E154-R158 VanDerWaalsContact OE1-CZ 3.29Å; E154-R158 IonicContact OE1-NE 3.22Å; E154-R158 PolarHBondContact OE1-NE 3.39Å; E154-R158 IonicContact OE1-NH2 3.3Å; E154-R158 PolarHBondContact OE1-NH2 2.91Å; E154-R158 IonicContact OE2-NH2 2.7Å |
| 155 | S | 97.9 | Very high | 98.2 | Very high | 74 Ų | 74 | 93 Ų | 93 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 176 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | E151 L152 R158 L159 | E151-S155 VanDerWaalsContact O-CB 3.24Å; E151-S155 WeakPolarHBondContact O-CB 3.36Å; E151-S155 PolarHBondContact O-N 3.22Å; L152-S155 PolarHBondContact O-N 3.09Å; S155-R158 PolarHBondContact O-N 3.29Å; S155-L159 WeakPolarHBondContact O-CB 3.25Å; S155-L159 PolarHBondContact O-N 3.47Å |
| 156 | Q | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 92.8 Ų | 92.8 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 173.5 | -179.3 | 178.5 | -18.6 | 0 | 0 | 111.6 | L152 E154 R158 L159 E160 | L152-Q156 WeakPolarHBondContact O-CB 3.35Å; L152-Q156 PolarHBondContact O-N 2.92Å; E154-Q156 VanDerWaalsContact C-N 3.35Å; E154-Q156 PolarHBondContact O-N 3Å; Q156-R158 VanDerWaalsContact C-N 3.31Å; Q156-R158 PolarHBondContact O-N 3.35Å; Q156-L159 PolarHBondContact O-N 2.93Å; Q156-L159 VanDerWaalsContact O-N 3.16Å; Q156-E160 HydrophobicContact CG-CG 4.47Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.49Å; Q156-E160 PolarHBondContact NE2-OE1 2.69Å; Q156-E160 WeakPolarHBondContact O-CG 3.5Å; Q156-E160 PolarHBondContact O-N 2.88Å |
| 157 | S | 98.4 | Very high | 98.3 | Very high | 67 Ų | 67 | 94.6 Ų | 94.6 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 112 | Q153 E154 A161 | Q153-S157 WeakPolarHBondContact O-CB 3.31Å; Q153-S157 PolarHBondContact O-N 3.01Å; Q153-S157 PolarHBondContact O-OG 2.91Å; E154-S157 WeakPolarHBondContact O-CB 3.28Å; E154-S157 PolarHBondContact O-N 2.89Å; E154-S157 VanDerWaalsContact O-N 3.16Å; S157-A161 WeakPolarHBondContact O-CB 3.37Å; S157-A161 PolarHBondContact O-N 2.96Å |
| 158 | R | 98.6 | Very high | 98.3 | Very high | 161 Ų | 161 | 94.2 Ų | 94.2 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 174.3 | -69.1 | 172.6 | -178.4 | -164.3 | 5.4 | 111.7 | E154 S155 Q156 A161 A162 | E154-R158 VanDerWaalsContact CD-NH2 3.29Å; E154-R158 HydrophobicContact CG-CG 4.5Å; E154-R158 VanDerWaalsContact O-CG 3.32Å; E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 2.84Å; E154-R158 IonicContact OE1-CZ 3.17Å; E154-R158 VanDerWaalsContact OE1-CZ 3.29Å; E154-R158 IonicContact OE1-NE 3.22Å; E154-R158 PolarHBondContact OE1-NE 3.39Å; E154-R158 IonicContact OE1-NH2 3.3Å; E154-R158 PolarHBondContact OE1-NH2 2.91Å; E154-R158 IonicContact OE2-NH2 2.7Å; S155-R158 PolarHBondContact O-N 3.29Å; Q156-R158 VanDerWaalsContact C-N 3.31Å; Q156-R158 PolarHBondContact O-N 3.35Å; R158-A161 PolarHBondContact O-N 2.9Å; R158-A162 WeakPolarHBondContact O-CB 3.48Å; R158-A162 PolarHBondContact O-N 2.88Å |
| 159 | L | 98.4 | Very high | 98.3 | Very high | 114 Ų | 114 | 93.1 Ų | 93.1 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 176.2 | 178.5 | 63 | 0 | 0 | 0 | 111.9 | S155 Q156 A162 T163 | S155-L159 WeakPolarHBondContact O-CB 3.25Å; S155-L159 PolarHBondContact O-N 3.47Å; Q156-L159 PolarHBondContact O-N 2.93Å; Q156-L159 VanDerWaalsContact O-N 3.16Å; L159-A162 PolarHBondContact O-N 3.03Å; L159-T163 VanDerWaalsContact O-CB 3.31Å; L159-T163 WeakPolarHBondContact O-CB 3.33Å; L159-T163 PolarHBondContact O-N 3.42Å; L159-T163 PolarHBondContact O-OG1 3.26Å |
| 160 | E | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 92.7 Ų | 92.7 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.2 | -73.4 | 179.5 | -156.7 | 0 | 0 | 112.1 | Q156 K164 | Q156-E160 HydrophobicContact CG-CG 4.47Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.49Å; Q156-E160 PolarHBondContact NE2-OE1 2.69Å; Q156-E160 WeakPolarHBondContact O-CG 3.5Å; Q156-E160 PolarHBondContact O-N 2.88Å; E160-K164 WeakPolarHBondContact O-CD 3.41Å; E160-K164 VanDerWaalsContact O-CG 3.31Å; E160-K164 WeakPolarHBondContact O-CG 3.46Å; E160-K164 PolarHBondContact O-N 3.44Å; E160-K164 VanDerWaalsContact O-N 3.09Å |
| 161 | A | 98.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 92.9 Ų | 92.9 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -50.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S157 R158 T163 K164 E165 | S157-A161 WeakPolarHBondContact O-CB 3.37Å; S157-A161 PolarHBondContact O-N 2.96Å; R158-A161 PolarHBondContact O-N 2.9Å; A161-T163 VanDerWaalsContact C-N 3.29Å; A161-T163 PolarHBondContact O-N 2.83Å; A161-K164 PolarHBondContact O-N 2.64Å; A161-E165 PolarHBondContact O-N 3.23Å |
| 162 | A | 98.3 | Very high | 98.3 | Very high | 45 Ų | 45 | 96.6 Ų | 96.6 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R158 L159 E165 C166 | R158-A162 WeakPolarHBondContact O-CB 3.48Å; R158-A162 PolarHBondContact O-N 2.88Å; L159-A162 PolarHBondContact O-N 3.03Å; A162-E165 PolarHBondContact O-N 2.93Å; A162-C166 WeakPolarHBondContact O-CB 3.2Å; A162-C166 PolarHBondContact O-N 2.99Å; A162-C166 PolarHBondContact O-SG 3.09Å; A162-C166 VanDerWaalsContact O-SG 3.35Å |
| 163 | T | 98.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 94.3 Ų | 94.3 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.2 | -57 | 0 | 0 | 0 | 0 | 111.7 | L159 A161 C166 Q167 | L159-T163 VanDerWaalsContact O-CB 3.31Å; L159-T163 WeakPolarHBondContact O-CB 3.33Å; L159-T163 PolarHBondContact O-N 3.42Å; L159-T163 PolarHBondContact O-OG1 3.26Å; A161-T163 VanDerWaalsContact C-N 3.29Å; A161-T163 PolarHBondContact O-N 2.83Å; T163-C166 PolarHBondContact O-N 3.03Å; T163-Q167 WeakPolarHBondContact O-CG 3.44Å; T163-Q167 PolarHBondContact O-N 3.41Å |
| 164 | K | 98.5 | Very high | 98.3 | Very high | 133 Ų | 133 | 96 Ų | 96 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 175.6 | -72.3 | 163.1 | -175.6 | 161 | 0 | 111.8 | E160 A161 Q167 A168 | E160-K164 WeakPolarHBondContact O-CD 3.41Å; E160-K164 VanDerWaalsContact O-CG 3.31Å; E160-K164 WeakPolarHBondContact O-CG 3.46Å; E160-K164 PolarHBondContact O-N 3.44Å; E160-K164 VanDerWaalsContact O-N 3.09Å; A161-K164 PolarHBondContact O-N 2.64Å; K164-Q167 PolarHBondContact O-N 3.47Å; K164-A168 WeakPolarHBondContact O-CB 3.3Å; K164-A168 PolarHBondContact O-N 3.47Å |
| 165 | E | 98.3 | Very high | 98.3 | Very high | 125 Ų | 125 | 94.1 Ų | 94.1 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -47.4 | 175.1 | -175.6 | 171.3 | -163.2 | 0 | 0 | 111.7 | A161 A162 Q167 A168 L169 | A161-E165 PolarHBondContact O-N 3.23Å; A162-E165 PolarHBondContact O-N 2.93Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 3.37Å; E165-A168 PolarHBondContact O-N 3.34Å; E165-A168 VanDerWaalsContact O-N 3.14Å; E165-L169 HydrophobicContact CG-CD1 4.02Å; E165-L169 HydrophobicContact CG-CG 4.36Å; E165-L169 WeakPolarHBondContact O-CB 3.36Å; E165-L169 WeakPolarHBondContact O-CG 3.49Å; E165-L169 PolarHBondContact O-N 2.85Å |
| 166 | C | 98.2 | Very high | 98.4 | Very high | 71 Ų | 71 | 93.1 Ų | 93.1 | 48% | 0.48 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.8 | -46.5 | 173.6 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | A162 T163 A168 L169 E170 | A162-C166 WeakPolarHBondContact O-CB 3.2Å; A162-C166 PolarHBondContact O-N 2.99Å; A162-C166 PolarHBondContact O-SG 3.09Å; A162-C166 VanDerWaalsContact O-SG 3.35Å; T163-C166 PolarHBondContact O-N 3.03Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-A168 PolarHBondContact O-N 2.97Å; C166-L169 PolarHBondContact O-N 2.75Å; C166-E170 WeakPolarHBondContact O-CB 3.43Å; C166-E170 WeakPolarHBondContact O-CG 3.48Å; C166-E170 PolarHBondContact O-N 3.42Å |
| 167 | Q | 98.4 | Very high | 98.4 | Very high | 124 Ų | 124 | 92 Ų | 92 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -40.5 | 176.2 | -73.1 | 171.6 | -0.7 | 0 | 0 | 112.7 | T163 K164 E165 G171 | T163-Q167 WeakPolarHBondContact O-CG 3.44Å; T163-Q167 PolarHBondContact O-N 3.41Å; K164-Q167 PolarHBondContact O-N 3.47Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 3.37Å; Q167-G171 PolarHBondContact O-N 2.88Å |
| 168 | A | 98.3 | Very high | 98.4 | Very high | 58 Ų | 58 | 92.7 Ų | 92.7 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K164 E165 C166 G171 R172 | K164-A168 WeakPolarHBondContact O-CB 3.3Å; K164-A168 PolarHBondContact O-N 3.47Å; E165-A168 PolarHBondContact O-N 3.34Å; E165-A168 VanDerWaalsContact O-N 3.14Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-A168 PolarHBondContact O-N 2.97Å; A168-G171 PolarHBondContact O-N 3.3Å; A168-R172 VanDerWaalsContact O-CG 3.31Å; A168-R172 WeakPolarHBondContact O-CG 3.38Å; A168-R172 PolarHBondContact O-N 2.85Å |
| 169 | L | 98.1 | Very high | 98.4 | Very high | 83 Ų | 83 | 90.7 Ų | 90.7 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 176 | -69.5 | 174.8 | 0 | 0 | 0 | 111.8 | E165 C166 R172 A173 | E165-L169 HydrophobicContact CG-CD1 4.02Å; E165-L169 HydrophobicContact CG-CG 4.36Å; E165-L169 WeakPolarHBondContact O-CB 3.36Å; E165-L169 WeakPolarHBondContact O-CG 3.49Å; E165-L169 PolarHBondContact O-N 2.85Å; C166-L169 PolarHBondContact O-N 2.75Å; L169-R172 PolarHBondContact O-N 3.42Å; L169-A173 WeakPolarHBondContact O-CB 3.49Å; L169-A173 PolarHBondContact O-N 2.91Å |
| 170 | E | 98.3 | Very high | 98.4 | Very high | 98 Ų | 98 | 87.3 Ų | 87.3 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -45 | 171.5 | -79.6 | -174.2 | -142.8 | 0 | 0 | 111.8 | C166 R172 A173 R174 | C166-E170 WeakPolarHBondContact O-CB 3.43Å; C166-E170 WeakPolarHBondContact O-CG 3.48Å; C166-E170 PolarHBondContact O-N 3.42Å; E170-R172 VanDerWaalsContact C-N 3.33Å; E170-R172 PolarHBondContact O-N 3.43Å; E170-A173 PolarHBondContact O-N 3.26Å; E170-R174 WeakPolarHBondContact O-CB 3.36Å; E170-R174 VanDerWaalsContact O-CG 3.26Å; E170-R174 WeakPolarHBondContact O-CG 3.32Å; E170-R174 PolarHBondContact O-N 3.48Å; E170-R174 IonicContact OE2-CZ 3.5Å; E170-R174 IonicContact OE2-NH2 3.56Å; E170-R174 PolarHBondContact OE2-NH2 2.97Å |
| 171 | G | 98.4 | Very high | 98.4 | Very high | 40 Ų | 40 | 90.6 Ų | 90.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q167 A168 R174 A175 | Q167-G171 PolarHBondContact O-N 2.88Å; A168-G171 PolarHBondContact O-N 3.3Å; G171-R174 PolarHBondContact O-N 2.84Å; G171-A175 WeakPolarHBondContact O-CB 3.4Å; G171-A175 PolarHBondContact O-N 3.5Å |
| 172 | R | 98.5 | Very high | 98.4 | Very high | 180 Ų | 180 | 92.9 Ų | 92.9 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 174.8 | -72.3 | 172.2 | 64.9 | -164.7 | -1 | 112.5 | A168 L169 E170 A175 A176 | A168-R172 VanDerWaalsContact O-CG 3.31Å; A168-R172 WeakPolarHBondContact O-CG 3.38Å; A168-R172 PolarHBondContact O-N 2.85Å; L169-R172 PolarHBondContact O-N 3.42Å; E170-R172 VanDerWaalsContact C-N 3.33Å; E170-R172 PolarHBondContact O-N 3.43Å; R172-A175 PolarHBondContact O-N 3.29Å; R172-A176 WeakPolarHBondContact O-CB 3.46Å; R172-A176 PolarHBondContact O-N 2.87Å |
| 173 | A | 97.9 | Very high | 98.4 | Very high | 62 Ų | 62 | 95.3 Ų | 95.3 | 51% | 0.512 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L169 E170 A176 S177 | L169-A173 WeakPolarHBondContact O-CB 3.49Å; L169-A173 PolarHBondContact O-N 2.91Å; E170-A173 PolarHBondContact O-N 3.26Å; A173-A176 PolarHBondContact O-N 2.97Å; A173-S177 VanDerWaalsContact O-CB 3.31Å; A173-S177 WeakPolarHBondContact O-CB 3.48Å; A173-S177 PolarHBondContact O-N 3.29Å |
| 174 | R | 98.6 | Very high | 98.4 | Very high | 171 Ų | 171 | 97.4 Ų | 97.4 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 174.3 | -68.3 | 173.5 | -158.5 | -168.9 | 8.6 | 111.5 | E170 G171 S177 E178 | E170-R174 WeakPolarHBondContact O-CB 3.36Å; E170-R174 VanDerWaalsContact O-CG 3.26Å; E170-R174 WeakPolarHBondContact O-CG 3.32Å; E170-R174 PolarHBondContact O-N 3.48Å; E170-R174 IonicContact OE2-CZ 3.5Å; E170-R174 IonicContact OE2-NH2 3.56Å; E170-R174 PolarHBondContact OE2-NH2 2.97Å; G171-R174 PolarHBondContact O-N 2.84Å; R174-S177 PolarHBondContact O-N 3.07Å; R174-E178 PolarHBondContact O-N 2.96Å |
| 175 | A | 98.4 | Very high | 98.4 | Very high | 61 Ų | 61 | 94.7 Ų | 94.7 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G171 R172 E178 Q179 | G171-A175 WeakPolarHBondContact O-CB 3.4Å; G171-A175 PolarHBondContact O-N 3.5Å; R172-A175 PolarHBondContact O-N 3.29Å; A175-E178 PolarHBondContact O-N 3.02Å; A175-Q179 WeakPolarHBondContact O-CB 3.22Å; A175-Q179 PolarHBondContact O-N 2.65Å |
| 176 | A | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 94.3 Ų | 94.3 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R172 A173 Q179 A180 | R172-A176 WeakPolarHBondContact O-CB 3.46Å; R172-A176 PolarHBondContact O-N 2.87Å; A173-A176 PolarHBondContact O-N 2.97Å; A176-Q179 PolarHBondContact O-N 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 3.14Å |
| 177 | S | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 97 Ų | 97 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 175.7 | -171 | 0 | 0 | 0 | 0 | 112.1 | A173 R174 A180 R181 | A173-S177 VanDerWaalsContact O-CB 3.31Å; A173-S177 WeakPolarHBondContact O-CB 3.48Å; A173-S177 PolarHBondContact O-N 3.29Å; R174-S177 PolarHBondContact O-N 3.07Å; S177-A180 PolarHBondContact O-N 3.22Å; S177-R181 WeakPolarHBondContact O-CB 3.44Å; S177-R181 PolarHBondContact O-N 2.87Å |
| 178 | E | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 95.4 Ų | 95.4 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 176 | -172.9 | 63 | -173.4 | 0 | 0 | 111.5 | R174 A175 A180 R181 Q182 | R174-E178 PolarHBondContact O-N 2.96Å; A175-E178 PolarHBondContact O-N 3.02Å; E178-A180 PolarHBondContact O-N 3.27Å; E178-R181 WeakPolarHBondContact O-CB 3.37Å; E178-R181 PolarHBondContact O-N 3.42Å; E178-R181 IonicContact OE1-CZ 2.66Å; E178-R181 IonicContact OE1-NE 2.65Å; E178-R181 IonicContact OE1-NH2 3.29Å; E178-R181 PolarHBondContact OE1-NH2 3.05Å; E178-R181 IonicContact OE2-CZ 2.76Å; E178-R181 IonicContact OE2-NE 2.64Å; E178-R181 PolarHBondContact OE2-NE 2.84Å; E178-R181 IonicContact OE2-NH2 3.23Å; E178-R181 PolarHBondContact OE2-NH2 2.94Å; E178-Q182 WeakPolarHBondContact O-CG 3.43Å; E178-Q182 PolarHBondContact O-N 3.14Å |
| 179 | Q | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 95.2 Ų | 95.2 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 173.8 | -173.5 | -179.9 | 7.4 | 0 | 0 | 112.2 | A175 A176 Q182 L183 | A175-Q179 WeakPolarHBondContact O-CB 3.22Å; A175-Q179 PolarHBondContact O-N 2.65Å; A176-Q179 PolarHBondContact O-N 3.29Å; Q179-Q182 PolarHBondContact O-N 3.08Å; Q179-L183 HydrophobicContact CG-CD1 4.27Å; Q179-L183 WeakPolarHBondContact O-CG 3.32Å; Q179-L183 PolarHBondContact O-N 3.13Å |
| 180 | A | 98.1 | Very high | 98.4 | Very high | 44 Ų | 44 | 95.5 Ų | 95.5 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A176 S177 E178 Q182 L183 E184 | A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 3.14Å; S177-A180 PolarHBondContact O-N 3.22Å; E178-A180 PolarHBondContact O-N 3.27Å; A180-Q182 VanDerWaalsContact C-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.32Å; A180-L183 PolarHBondContact O-N 3.48Å; A180-E184 WeakPolarHBondContact O-CG 3.4Å; A180-E184 PolarHBondContact O-N 3.36Å |
| 181 | R | 98.6 | Very high | 98.4 | Very high | 153 Ų | 153 | 96.8 Ų | 96.8 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -38 | 176.8 | -167.2 | 177.7 | 78 | 92.3 | 1 | 112.7 | S177 E178 S185 | S177-R181 WeakPolarHBondContact O-CB 3.44Å; S177-R181 PolarHBondContact O-N 2.87Å; E178-R181 WeakPolarHBondContact O-CB 3.37Å; E178-R181 PolarHBondContact O-N 3.42Å; E178-R181 IonicContact OE1-CZ 2.66Å; E178-R181 IonicContact OE1-NE 2.65Å; E178-R181 IonicContact OE1-NH2 3.29Å; E178-R181 PolarHBondContact OE1-NH2 3.05Å; E178-R181 IonicContact OE2-CZ 2.76Å; E178-R181 IonicContact OE2-NE 2.64Å; E178-R181 PolarHBondContact OE2-NE 2.84Å; E178-R181 IonicContact OE2-NH2 3.23Å; E178-R181 PolarHBondContact OE2-NH2 2.94Å; R181-S185 WeakPolarHBondContact O-CB 3.33Å; R181-S185 PolarHBondContact O-N 2.88Å; R181-S185 VanDerWaalsContact O-N 3.11Å |
| 182 | Q | 98.4 | Very high | 98.4 | Very high | 104 Ų | 104 | 101.2 Ų | 101.2 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 173.7 | -72.7 | 174.1 | -46.5 | 0 | 0 | 111.4 | E178 Q179 A180 E184 S185 E186 | E178-Q182 WeakPolarHBondContact O-CG 3.43Å; E178-Q182 PolarHBondContact O-N 3.14Å; Q179-Q182 PolarHBondContact O-N 3.08Å; A180-Q182 VanDerWaalsContact C-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.32Å; Q182-E184 VanDerWaalsContact C-N 3.32Å; Q182-E184 PolarHBondContact O-N 2.86Å; Q182-S185 WeakPolarHBondContact O-CB 3.49Å; Q182-S185 PolarHBondContact O-N 3.47Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; Q182-E186 WeakPolarHBondContact O-CG 3.34Å; Q182-E186 PolarHBondContact O-N 3.09Å |
| 183 | L | 98.3 | Very high | 98.4 | Very high | 97 Ų | 97 | 98.6 Ų | 98.6 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 178.8 | -69.5 | 170.6 | 0 | 0 | 0 | 112.8 | Q179 A180 R187 | Q179-L183 HydrophobicContact CG-CD1 4.27Å; Q179-L183 WeakPolarHBondContact O-CG 3.32Å; Q179-L183 PolarHBondContact O-N 3.13Å; A180-L183 PolarHBondContact O-N 3.48Å; L183-R187 VanDerWaalsContact O-CB 3.28Å; L183-R187 WeakPolarHBondContact O-CB 3.5Å; L183-R187 PolarHBondContact O-N 3.37Å |
| 184 | E | 98.4 | Very high | 98.4 | Very high | 105 Ų | 105 | 100.3 Ų | 100.3 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 172.6 | -75.5 | 178.7 | 158.7 | 0 | 0 | 111.7 | A180 Q182 R187 E188 | A180-E184 WeakPolarHBondContact O-CG 3.4Å; A180-E184 PolarHBondContact O-N 3.36Å; Q182-E184 VanDerWaalsContact C-N 3.32Å; Q182-E184 PolarHBondContact O-N 2.86Å; E184-R187 PolarHBondContact O-N 3.33Å; E184-E188 WeakPolarHBondContact O-CB 3.45Å; E184-E188 WeakPolarHBondContact O-CG 3.48Å; E184-E188 PolarHBondContact O-N 3.43Å |
| 185 | S | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | R181 Q182 E188 A189 | R181-S185 WeakPolarHBondContact O-CB 3.33Å; R181-S185 PolarHBondContact O-N 2.88Å; R181-S185 VanDerWaalsContact O-N 3.11Å; Q182-S185 WeakPolarHBondContact O-CB 3.49Å; Q182-S185 PolarHBondContact O-N 3.47Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; S185-E188 PolarHBondContact O-N 3.14Å; S185-A189 WeakPolarHBondContact O-CB 3.34Å; S185-A189 PolarHBondContact O-N 3.14Å |
| 186 | E | 98.4 | Very high | 98.4 | Very high | 118 Ų | 118 | 97 Ų | 97 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 174.6 | -73 | 176.6 | -175.9 | 0 | 0 | 111.6 | Q182 E188 A189 L190 | Q182-E186 WeakPolarHBondContact O-CG 3.34Å; Q182-E186 PolarHBondContact O-N 3.09Å; E186-E188 VanDerWaalsContact C-N 3.33Å; E186-E188 PolarHBondContact O-N 3.04Å; E186-A189 PolarHBondContact O-N 3.04Å; E186-L190 WeakPolarHBondContact O-CB 3.44Å; E186-L190 WeakPolarHBondContact O-CG 3.49Å; E186-L190 PolarHBondContact O-N 3.43Å |
| 187 | R | 98.4 | Very high | 98.4 | Very high | 128 Ų | 128 | 99.2 Ų | 99.2 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 174 | 179.7 | -154.7 | 67.5 | -173.5 | -4.3 | 111.2 | L183 E184 L190 Q191 | L183-R187 VanDerWaalsContact O-CB 3.28Å; L183-R187 WeakPolarHBondContact O-CB 3.5Å; L183-R187 PolarHBondContact O-N 3.37Å; E184-R187 PolarHBondContact O-N 3.33Å; R187-L190 PolarHBondContact O-N 2.92Å; R187-Q191 VanDerWaalsContact O-CB 3.3Å; R187-Q191 WeakPolarHBondContact O-CB 3.42Å; R187-Q191 PolarHBondContact O-N 2.85Å |
| 188 | E | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 179.6 | -77.9 | 170.6 | -163.6 | 0 | 0 | 112.4 | E184 S185 E186 Q191 Q192 | E184-E188 WeakPolarHBondContact O-CB 3.45Å; E184-E188 WeakPolarHBondContact O-CG 3.48Å; E184-E188 PolarHBondContact O-N 3.43Å; S185-E188 PolarHBondContact O-N 3.14Å; E186-E188 VanDerWaalsContact C-N 3.33Å; E186-E188 PolarHBondContact O-N 3.04Å; E188-Q191 PolarHBondContact O-N 2.95Å; E188-Q192 WeakPolarHBondContact O-CG 3.35Å; E188-Q192 PolarHBondContact O-N 3.38Å |
| 189 | A | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 99.6 Ų | 99.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S185 E186 Q191 Q192 Q193 | S185-A189 WeakPolarHBondContact O-CB 3.34Å; S185-A189 PolarHBondContact O-N 3.14Å; E186-A189 PolarHBondContact O-N 3.04Å; A189-Q191 PolarHBondContact O-N 2.85Å; A189-Q192 PolarHBondContact O-N 2.88Å; A189-Q193 WeakPolarHBondContact O-CB 3.45Å; A189-Q193 PolarHBondContact O-N 3.02Å |
| 190 | L | 98.4 | Very high | 98.4 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 175.2 | -73 | 166.6 | 0 | 0 | 0 | 112.1 | E186 R187 Q193 H194 | E186-L190 WeakPolarHBondContact O-CB 3.44Å; E186-L190 WeakPolarHBondContact O-CG 3.49Å; E186-L190 PolarHBondContact O-N 3.43Å; R187-L190 PolarHBondContact O-N 2.92Å; L190-Q193 PolarHBondContact O-N 2.95Å; L190-H194 WeakPolarHBondContact O-CB 3.33Å; L190-H194 PolarHBondContact O-N 3.47Å; L190-H194 PolarHBondContact O-ND1 3.27Å |
| 191 | Q | 98.4 | Very high | 98.4 | Very high | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 177.3 | -175.9 | 171 | -10.9 | 0 | 0 | 111.9 | R187 E188 A189 S195 | R187-Q191 VanDerWaalsContact O-CB 3.3Å; R187-Q191 WeakPolarHBondContact O-CB 3.42Å; R187-Q191 PolarHBondContact O-N 2.85Å; E188-Q191 PolarHBondContact O-N 2.95Å; A189-Q191 PolarHBondContact O-N 2.85Å; Q191-S195 WeakPolarHBondContact O-CB 3.32Å; Q191-S195 PolarHBondContact O-N 2.93Å |
| 192 | Q | 98.3 | Very high | 98.4 | Very high | 134 Ų | 134 | 103.7 Ų | 103.7 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 172.7 | -70.8 | 173.9 | 26.6 | 0 | 0 | 111.3 | E188 A189 H194 S195 V196 | E188-Q192 WeakPolarHBondContact O-CG 3.35Å; E188-Q192 PolarHBondContact O-N 3.38Å; A189-Q192 PolarHBondContact O-N 2.88Å; Q192-H194 PolarHBondContact O-N 3.32Å; Q192-S195 WeakPolarHBondContact O-CB 3.36Å; Q192-S195 PolarHBondContact O-N 3.2Å; Q192-V196 WeakPolarHBondContact O-CG2 3.34Å; Q192-V196 PolarHBondContact O-N 3.27Å |
| 193 | Q | 98.2 | Very high | 98.4 | Very high | 124 Ų | 124 | 104.3 Ų | 104.3 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -46.4 | 176.2 | -178.2 | -178.4 | -25.5 | 0 | 0 | 112 | A189 L190 V196 Q197 | A189-Q193 WeakPolarHBondContact O-CB 3.45Å; A189-Q193 PolarHBondContact O-N 3.02Å; L190-Q193 PolarHBondContact O-N 2.95Å; Q193-V196 PolarHBondContact O-N 3.28Å; Q193-Q197 WeakPolarHBondContact O-CB 3.49Å; Q193-Q197 PolarHBondContact O-N 3.09Å |
| 194 | H | 98.1 | Very high | 98.4 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 176.5 | -65.9 | 150.1 | 0 | 0 | 0 | 112.2 | L190 Q192 Q197 V198 | L190-H194 WeakPolarHBondContact O-CB 3.33Å; L190-H194 PolarHBondContact O-N 3.47Å; L190-H194 PolarHBondContact O-ND1 3.27Å; Q192-H194 PolarHBondContact O-N 3.32Å; H194-Q197 PolarHBondContact O-N 2.85Å; H194-V198 WeakPolarHBondContact O-CB 3.37Å; H194-V198 WeakPolarHBondContact O-CG2 3.46Å; H194-V198 PolarHBondContact O-N 3.31Å |
| 195 | S | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 101.9 Ų | 101.9 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -49.8 | 174.8 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | Q191 Q192 Q197 V198 D199 | Q191-S195 WeakPolarHBondContact O-CB 3.32Å; Q191-S195 PolarHBondContact O-N 2.93Å; Q192-S195 WeakPolarHBondContact O-CB 3.36Å; Q192-S195 PolarHBondContact O-N 3.2Å; S195-Q197 VanDerWaalsContact C-N 3.3Å; S195-Q197 PolarHBondContact O-N 3.23Å; S195-V198 PolarHBondContact O-N 3Å; S195-D199 PolarHBondContact O-N 3.4Å |
| 196 | V | 98.4 | Very high | 98.4 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -39.7 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | Q192 Q193 D199 Q200 | Q192-V196 WeakPolarHBondContact O-CG2 3.34Å; Q192-V196 PolarHBondContact O-N 3.27Å; Q193-V196 PolarHBondContact O-N 3.28Å; V196-D199 PolarHBondContact O-N 2.86Å; V196-Q200 WeakPolarHBondContact O-CB 3.5Å; V196-Q200 PolarHBondContact O-N 3.2Å |
| 197 | Q | 98.4 | Very high | 98.4 | Very high | 102 Ų | 102 | 100.9 Ų | 100.9 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 176.1 | -171.4 | -179.5 | 29.7 | 0 | 0 | 112.3 | Q193 H194 S195 Q200 L201 | Q193-Q197 WeakPolarHBondContact O-CB 3.49Å; Q193-Q197 PolarHBondContact O-N 3.09Å; H194-Q197 PolarHBondContact O-N 2.85Å; S195-Q197 VanDerWaalsContact C-N 3.3Å; S195-Q197 PolarHBondContact O-N 3.23Å; Q197-Q200 PolarHBondContact O-N 2.94Å; Q197-L201 HydrophobicContact CG-CD1 4.38Å; Q197-L201 WeakPolarHBondContact O-CG 3.48Å; Q197-L201 PolarHBondContact O-N 3.36Å |
| 198 | V | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 99.2 Ų | 99.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 110.9 | H194 S195 L201 R202 | H194-V198 WeakPolarHBondContact O-CB 3.37Å; H194-V198 WeakPolarHBondContact O-CG2 3.46Å; H194-V198 PolarHBondContact O-N 3.31Å; S195-V198 PolarHBondContact O-N 3Å; V198-L201 PolarHBondContact O-N 3.33Å; V198-R202 VanDerWaalsContact O-CB 3.31Å; V198-R202 WeakPolarHBondContact O-CB 3.31Å; V198-R202 PolarHBondContact O-N 2.91Å |
| 199 | D | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.3 | -72.9 | -37 | 0 | 0 | 0 | 111.5 | S195 V196 R202 M203 | S195-D199 PolarHBondContact O-N 3.4Å; V196-D199 PolarHBondContact O-N 2.86Å; D199-R202 PolarHBondContact O-N 3.34Å; D199-M203 VanDerWaalsContact O-CG 3.31Å; D199-M203 WeakPolarHBondContact O-CG 3.43Å; D199-M203 PolarHBondContact O-N 2.95Å |
| 200 | Q | 98.4 | Very high | 98.4 | Very high | 139 Ų | 139 | 99.9 Ų | 99.9 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 174.8 | -171.5 | 176.6 | 20.8 | 0 | 0 | 112 | V196 Q197 M203 Q204 | V196-Q200 WeakPolarHBondContact O-CB 3.5Å; V196-Q200 PolarHBondContact O-N 3.2Å; Q197-Q200 PolarHBondContact O-N 2.94Å; Q200-M203 PolarHBondContact O-N 3.39Å; Q200-Q204 WeakPolarHBondContact O-CB 3.31Å; Q200-Q204 PolarHBondContact O-N 2.97Å |
| 201 | L | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 175.8 | -71.8 | 171.9 | 0 | 0 | 0 | 112.1 | Q197 V198 Q204 G205 | Q197-L201 HydrophobicContact CG-CD1 4.38Å; Q197-L201 WeakPolarHBondContact O-CG 3.48Å; Q197-L201 PolarHBondContact O-N 3.36Å; V198-L201 PolarHBondContact O-N 3.33Å; L201-Q204 PolarHBondContact O-N 2.97Å; L201-G205 PolarHBondContact O-N 3.3Å |
| 202 | R | 98.6 | Very high | 98.4 | Very high | 161 Ų | 161 | 96.6 Ų | 96.6 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | 173.6 | 169.7 | 179.4 | -84.6 | -154.6 | -4.4 | 111.3 | V198 D199 Q204 G205 Q206 | V198-R202 VanDerWaalsContact O-CB 3.31Å; V198-R202 WeakPolarHBondContact O-CB 3.31Å; V198-R202 PolarHBondContact O-N 2.91Å; D199-R202 PolarHBondContact O-N 3.34Å; R202-Q204 VanDerWaalsContact C-N 3.35Å; R202-G205 PolarHBondContact O-N 3.39Å; R202-Q206 WeakPolarHBondContact O-CG 3.32Å; R202-Q206 PolarHBondContact O-N 2.87Å |
| 203 | M | 98.4 | Very high | 98.5 | Very high | 117 Ų | 117 | 97.6 Ų | 97.6 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 177.4 | -69.2 | -54.9 | -59.4 | 0 | 0 | 111.9 | D199 Q200 Q206 S207 | D199-M203 VanDerWaalsContact O-CG 3.31Å; D199-M203 WeakPolarHBondContact O-CG 3.43Å; D199-M203 PolarHBondContact O-N 2.95Å; Q200-M203 PolarHBondContact O-N 3.39Å; M203-Q206 PolarHBondContact O-N 3.22Å; M203-S207 WeakPolarHBondContact O-CB 3.47Å; M203-S207 PolarHBondContact O-N 2.89Å |
| 204 | Q | 98.4 | Very high | 98.5 | Very high | 120 Ų | 120 | 97 Ų | 97 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -45.2 | 173.6 | -171.9 | 179.1 | 11.6 | 0 | 0 | 111.6 | Q200 L201 R202 S207 V208 | Q200-Q204 WeakPolarHBondContact O-CB 3.31Å; Q200-Q204 PolarHBondContact O-N 2.97Å; L201-Q204 PolarHBondContact O-N 2.97Å; R202-Q204 VanDerWaalsContact C-N 3.35Å; Q204-S207 WeakPolarHBondContact O-CB 3.35Å; Q204-S207 PolarHBondContact O-N 3.37Å; Q204-V208 WeakPolarHBondContact O-CG2 3.48Å; Q204-V208 PolarHBondContact O-N 3.45Å |
| 205 | G | 98.4 | Very high | 98.5 | Very high | 31 Ų | 31 | 98.4 Ų | 98.4 | 32% | 0.32 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L201 R202 S207 V208 E209 | L201-G205 PolarHBondContact O-N 3.3Å; R202-G205 PolarHBondContact O-N 3.39Å; G205-S207 VanDerWaalsContact C-N 3.29Å; G205-S207 PolarHBondContact O-N 3.01Å; G205-V208 PolarHBondContact O-N 2.91Å; G205-E209 WeakPolarHBondContact O-CB 3.48Å; G205-E209 WeakPolarHBondContact O-CG 3.46Å; G205-E209 PolarHBondContact O-N 3.47Å |
| 206 | Q | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 103.4 Ų | 103.4 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -37.9 | 176.9 | -72.3 | 176 | 2.2 | 0 | 0 | 113 | R202 M203 A210 | R202-Q206 WeakPolarHBondContact O-CG 3.32Å; R202-Q206 PolarHBondContact O-N 2.87Å; M203-Q206 PolarHBondContact O-N 3.22Å; Q206-A210 WeakPolarHBondContact O-CB 3.3Å; Q206-A210 PolarHBondContact O-N 3.4Å |
| 207 | S | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 103.6 Ų | 103.6 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -46.7 | 176 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | M203 Q204 G205 A210 A211 | M203-S207 WeakPolarHBondContact O-CB 3.47Å; M203-S207 PolarHBondContact O-N 2.89Å; Q204-S207 WeakPolarHBondContact O-CB 3.35Å; Q204-S207 PolarHBondContact O-N 3.37Å; G205-S207 VanDerWaalsContact C-N 3.29Å; G205-S207 PolarHBondContact O-N 3.01Å; S207-A210 PolarHBondContact O-N 3.44Å; S207-A211 PolarHBondContact O-N 2.95Å |
| 208 | V | 98.5 | Very high | 98.5 | Very high | 92 Ų | 92 | 100.6 Ų | 100.6 | 56% | 0.558 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | Q204 G205 A210 A211 L212 | Q204-V208 WeakPolarHBondContact O-CG2 3.48Å; Q204-V208 PolarHBondContact O-N 3.45Å; G205-V208 PolarHBondContact O-N 2.91Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.88Å; V208-A211 PolarHBondContact O-N 3.22Å; V208-L212 WeakPolarHBondContact O-CB 3.32Å; V208-L212 PolarHBondContact O-N 2.97Å |
| 209 | E | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 99 Ų | 99 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -34.5 | 174.7 | -74.3 | 175.8 | -178.5 | 0 | 0 | 112.9 | G205 R213 | G205-E209 WeakPolarHBondContact O-CB 3.48Å; G205-E209 WeakPolarHBondContact O-CG 3.46Å; G205-E209 PolarHBondContact O-N 3.47Å; E209-R213 WeakPolarHBondContact O-CG 3.49Å; E209-R213 PolarHBondContact O-N 2.92Å; E209-R213 VanDerWaalsContact O-N 3.09Å; E209-R213 PolarHBondContact O-NE 3.16Å |
| 210 | A | 98.4 | Very high | 98.4 | Very high | 36 Ų | 36 | 98.5 Ų | 98.5 | 30% | 0.298 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q206 S207 V208 L212 R213 M214 | Q206-A210 WeakPolarHBondContact O-CB 3.3Å; Q206-A210 PolarHBondContact O-N 3.4Å; S207-A210 PolarHBondContact O-N 3.44Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.88Å; A210-L212 PolarHBondContact O-N 2.85Å; A210-R213 PolarHBondContact O-N 2.93Å; A210-M214 WeakPolarHBondContact O-CG 3.48Å; A210-M214 PolarHBondContact O-N 3.44Å; A210-M214 VanDerWaalsContact O-N 3.09Å |
| 211 | A | 98.4 | Very high | 98.4 | Very high | 61 Ų | 61 | 95 Ų | 95 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S207 V208 R213 M214 E215 | S207-A211 PolarHBondContact O-N 2.95Å; V208-A211 PolarHBondContact O-N 3.22Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 3.36Å; A211-M214 PolarHBondContact O-N 3.39Å; A211-M214 VanDerWaalsContact O-N 3.14Å; A211-E215 PolarHBondContact O-N 3.36Å |
| 212 | L | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 95 Ų | 95 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -34.8 | 177.5 | -178.4 | 61.7 | 0 | 0 | 0 | 112.9 | V208 A210 R216 | V208-L212 WeakPolarHBondContact O-CB 3.32Å; V208-L212 PolarHBondContact O-N 2.97Å; A210-L212 PolarHBondContact O-N 2.85Å; L212-R216 HydrophobicContact CD1-CG 4.47Å; L212-R216 WeakPolarHBondContact O-CB 3.36Å; L212-R216 VanDerWaalsContact O-CG 3.22Å; L212-R216 WeakPolarHBondContact O-CG 3.46Å; L212-R216 PolarHBondContact O-N 3.4Å |
| 213 | R | 98.6 | Very high | 98.4 | Very high | 155 Ų | 155 | 95 Ų | 95 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 173 | -80.4 | -179 | -69.3 | 139.9 | -6.7 | 111.9 | E209 A210 A211 Q217 | E209-R213 WeakPolarHBondContact O-CG 3.49Å; E209-R213 PolarHBondContact O-N 2.92Å; E209-R213 VanDerWaalsContact O-N 3.09Å; E209-R213 PolarHBondContact O-NE 3.16Å; A210-R213 PolarHBondContact O-N 2.93Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 3.36Å; R213-Q217 PolarHBondContact O-N 3.31Å |
| 214 | M | 98.4 | Very high | 98.4 | Very high | 112 Ų | 112 | 95.4 Ų | 95.4 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | 176.5 | -64.6 | -71.3 | 88.1 | 0 | 0 | 112 | A210 A211 R216 Q217 A218 | A210-M214 WeakPolarHBondContact O-CG 3.48Å; A210-M214 PolarHBondContact O-N 3.44Å; A210-M214 VanDerWaalsContact O-N 3.09Å; A211-M214 PolarHBondContact O-N 3.39Å; A211-M214 VanDerWaalsContact O-N 3.14Å; M214-R216 PolarHBondContact O-N 2.92Å; M214-Q217 WeakPolarHBondContact O-CB 3.49Å; M214-Q217 PolarHBondContact O-N 2.94Å; M214-Q217 VanDerWaalsContact O-N 3.14Å; M214-A218 PolarHBondContact O-N 2.99Å |
| 215 | E | 98.3 | Very high | 98.4 | Very high | 129 Ų | 129 | 94.6 Ų | 94.6 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 175.9 | -168.6 | 59 | -145.7 | 0 | 0 | 111.9 | A211 Q217 A218 A219 | A211-E215 PolarHBondContact O-N 3.36Å; E215-Q217 VanDerWaalsContact C-N 3.32Å; E215-Q217 PolarHBondContact O-N 3.41Å; E215-A218 PolarHBondContact O-N 3.38Å; E215-A219 WeakPolarHBondContact O-CB 3.39Å; E215-A219 PolarHBondContact O-N 3.38Å |
| 216 | R | 98.4 | Very high | 98.4 | Very high | 170 Ų | 170 | 97.7 Ų | 97.7 | 64% | 0.642 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -37 | 174.4 | -75.1 | 171.7 | 177.8 | -173.5 | 0.8 | 112.8 | L212 M214 S220 | L212-R216 HydrophobicContact CD1-CG 4.47Å; L212-R216 WeakPolarHBondContact O-CB 3.36Å; L212-R216 VanDerWaalsContact O-CG 3.22Å; L212-R216 WeakPolarHBondContact O-CG 3.46Å; L212-R216 PolarHBondContact O-N 3.4Å; M214-R216 PolarHBondContact O-N 2.92Å; R216-S220 WeakPolarHBondContact O-CB 3.28Å; R216-S220 PolarHBondContact O-N 3.49Å; R216-S220 VanDerWaalsContact O-N 3.14Å |
| 217 | Q | 98.3 | Very high | 98.4 | Very high | 100 Ų | 100 | 95.5 Ų | 95.5 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -48.8 | 174.7 | -178.7 | 177.4 | -27 | 0 | 0 | 110.7 | R213 M214 E215 A219 S220 E221 | R213-Q217 PolarHBondContact O-N 3.31Å; M214-Q217 WeakPolarHBondContact O-CB 3.49Å; M214-Q217 PolarHBondContact O-N 2.94Å; M214-Q217 VanDerWaalsContact O-N 3.14Å; E215-Q217 VanDerWaalsContact C-N 3.32Å; E215-Q217 PolarHBondContact O-N 3.41Å; Q217-A219 PolarHBondContact O-N 3.27Å; Q217-S220 WeakPolarHBondContact O-CA 3.36Å; Q217-S220 WeakPolarHBondContact O-CB 3.46Å; Q217-S220 PolarHBondContact O-N 2.97Å; Q217-S220 VanDerWaalsContact O-N 3.08Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.5Å; Q217-E221 PolarHBondContact NE2-OE1 2.91Å; Q217-E221 WeakPolarHBondContact O-CG 3.45Å; Q217-E221 PolarHBondContact O-N 3.34Å |
| 218 | A | 98.3 | Very high | 98.4 | Very high | 39 Ų | 39 | 97.4 Ų | 97.4 | 32% | 0.322 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M214 E215 S220 E221 E222 | M214-A218 PolarHBondContact O-N 2.99Å; E215-A218 PolarHBondContact O-N 3.38Å; A218-S220 VanDerWaalsContact C-N 3.29Å; A218-S220 PolarHBondContact O-N 3.47Å; A218-E221 CarbonylContact O-C 3.6Å; A218-E221 WeakPolarHBondContact O-CA 3.31Å; A218-E221 WeakPolarHBondContact O-CB 3.37Å; A218-E221 PolarHBondContact O-N 2.92Å; A218-E222 PolarHBondContact O-N 3.02Å |
| 219 | A | 98.3 | Very high | 98.4 | Very high | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E215 Q217 K223 | E215-A219 WeakPolarHBondContact O-CB 3.39Å; E215-A219 PolarHBondContact O-N 3.38Å; Q217-A219 PolarHBondContact O-N 3.27Å; A219-K223 WeakPolarHBondContact O-CB 3.45Å; A219-K223 PolarHBondContact O-N 2.87Å |
| 220 | S | 98.3 | Very high | 98.4 | Very high | 70 Ų | 70 | 97.7 Ų | 97.7 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 173.1 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | R216 Q217 A218 R224 | R216-S220 WeakPolarHBondContact O-CB 3.28Å; R216-S220 PolarHBondContact O-N 3.49Å; R216-S220 VanDerWaalsContact O-N 3.14Å; Q217-S220 WeakPolarHBondContact O-CA 3.36Å; Q217-S220 WeakPolarHBondContact O-CB 3.46Å; Q217-S220 PolarHBondContact O-N 2.97Å; Q217-S220 VanDerWaalsContact O-N 3.08Å; A218-S220 VanDerWaalsContact C-N 3.29Å; A218-S220 PolarHBondContact O-N 3.47Å; S220-R224 PolarHBondContact O-N 3.22Å; S220-R224 VanDerWaalsContact O-N 3.14Å |
| 221 | E | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 99.8 Ų | 99.8 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -44.6 | 175.1 | -67.7 | 177 | -163.1 | 0 | 0 | 112.3 | Q217 A218 R224 K225 | Q217-E221 WeakPolarHBondContact CG-OE1 3.5Å; Q217-E221 PolarHBondContact NE2-OE1 2.91Å; Q217-E221 WeakPolarHBondContact O-CG 3.45Å; Q217-E221 PolarHBondContact O-N 3.34Å; A218-E221 CarbonylContact O-C 3.6Å; A218-E221 WeakPolarHBondContact O-CA 3.31Å; A218-E221 WeakPolarHBondContact O-CB 3.37Å; A218-E221 PolarHBondContact O-N 2.92Å; E221-R224 WeakPolarHBondContact O-CB 3.36Å; E221-R224 PolarHBondContact O-N 2.93Å; E221-R224 VanDerWaalsContact O-N 3.13Å; E221-K225 WeakPolarHBondContact O-CG 3.46Å; E221-K225 PolarHBondContact O-N 2.86Å |
| 222 | E | 98.3 | Very high | 98.4 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173.9 | -67.6 | -48.3 | 128 | 0 | 0 | 112.1 | A218 R224 K225 L226 | A218-E222 PolarHBondContact O-N 3.02Å; E222-R224 PolarHBondContact O-N 3.3Å; E222-K225 PolarHBondContact O-N 3.47Å; E222-K225 WeakPolarHBondContact OE1-CD 3.31Å; E222-K225 WeakPolarHBondContact OE1-CE 3.41Å; E222-K225 IonicContact OE1-NZ 3.36Å; E222-K225 PolarHBondContact OE1-NZ 3.11Å; E222-L226 WeakPolarHBondContact O-CB 3.31Å; E222-L226 PolarHBondContact O-N 2.92Å |
| 223 | K | 98.5 | Very high | 98.3 | Very high | 161 Ų | 161 | 102.3 Ų | 102.3 | 70% | 0.7 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.5 | -37.1 | 172.7 | -175.5 | 176.6 | -179.8 | 179.1 | 0 | 112 | A219 A227 | A219-K223 WeakPolarHBondContact O-CB 3.45Å; A219-K223 PolarHBondContact O-N 2.87Å; K223-A227 PolarHBondContact O-N 3.45Å; K223-A227 VanDerWaalsContact O-N 3.07Å |
| 224 | R | 98.4 | Very high | 98.3 | Very high | 125 Ų | 125 | 100.1 Ų | 100.1 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 176.4 | -162.9 | -169.1 | -44.4 | 102.6 | 8.6 | 112 | S220 E221 E222 L226 A227 Q228 | S220-R224 PolarHBondContact O-N 3.22Å; S220-R224 VanDerWaalsContact O-N 3.14Å; E221-R224 WeakPolarHBondContact O-CB 3.36Å; E221-R224 PolarHBondContact O-N 2.93Å; E221-R224 VanDerWaalsContact O-N 3.13Å; E222-R224 PolarHBondContact O-N 3.3Å; R224-L226 VanDerWaalsContact C-N 3.34Å; R224-A227 PolarHBondContact O-N 3.32Å; R224-Q228 WeakPolarHBondContact O-CG 3.5Å; R224-Q228 PolarHBondContact O-N 2.7Å |
| 225 | K | 98.5 | Very high | 98.3 | Very high | 102 Ų | 102 | 99.7 Ų | 99.7 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.7 | -68.8 | 171.8 | -171.5 | 170.7 | 0 | 111.1 | E221 E222 Q228 L229 | E221-K225 WeakPolarHBondContact O-CG 3.46Å; E221-K225 PolarHBondContact O-N 2.86Å; E222-K225 PolarHBondContact O-N 3.47Å; E222-K225 WeakPolarHBondContact OE1-CD 3.31Å; E222-K225 WeakPolarHBondContact OE1-CE 3.41Å; E222-K225 IonicContact OE1-NZ 3.36Å; E222-K225 PolarHBondContact OE1-NZ 3.11Å; K225-Q228 PolarHBondContact O-N 3.01Å; K225-L229 WeakPolarHBondContact O-CB 3.42Å; K225-L229 PolarHBondContact O-N 2.99Å |
| 226 | L | 98.3 | Very high | 98.3 | Very high | 97 Ų | 97 | 99.1 Ų | 99.1 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 175 | 179.1 | 61.5 | 0 | 0 | 0 | 111.8 | E222 R224 Q228 L229 Q230 | E222-L226 WeakPolarHBondContact O-CB 3.31Å; E222-L226 PolarHBondContact O-N 2.92Å; R224-L226 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 3.42Å; L226-L229 PolarHBondContact O-N 3.33Å; L226-Q230 HydrophobicContact CD1-CG 4.43Å; L226-Q230 WeakPolarHBondContact O-CB 3.26Å; L226-Q230 VanDerWaalsContact O-CG 3.3Å; L226-Q230 WeakPolarHBondContact O-CG 3.48Å; L226-Q230 PolarHBondContact O-N 3.47Å |
| 227 | A | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 96.9 Ų | 96.9 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K223 R224 Q230 V231 | K223-A227 PolarHBondContact O-N 3.45Å; K223-A227 VanDerWaalsContact O-N 3.07Å; R224-A227 PolarHBondContact O-N 3.32Å; A227-Q230 PolarHBondContact O-N 2.87Å; A227-V231 WeakPolarHBondContact O-CG2 3.47Å; A227-V231 PolarHBondContact O-N 3.45Å |
| 228 | Q | 98.2 | Very high | 98.1 | Very high | 122 Ų | 122 | 97.5 Ų | 97.5 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 173.6 | -72.3 | 172.5 | -10.6 | 0 | 0 | 111.9 | R224 K225 L226 Q230 V231 A232 | R224-Q228 WeakPolarHBondContact O-CG 3.5Å; R224-Q228 PolarHBondContact O-N 2.7Å; K225-Q228 PolarHBondContact O-N 3.01Å; L226-Q228 PolarHBondContact O-N 3.42Å; Q228-Q230 VanDerWaalsContact C-N 3.35Å; Q228-Q230 PolarHBondContact O-N 2.99Å; Q228-V231 PolarHBondContact O-N 3.01Å; Q228-A232 WeakPolarHBondContact O-CB 3.42Å; Q228-A232 PolarHBondContact O-N 3.48Å |
| 229 | L | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 176.8 | -177.5 | 62.7 | 0 | 0 | 0 | 111.9 | K225 L226 A232 Y233 | K225-L229 WeakPolarHBondContact O-CB 3.42Å; K225-L229 PolarHBondContact O-N 2.99Å; L226-L229 PolarHBondContact O-N 3.33Å; L229-A232 PolarHBondContact O-N 2.91Å; L229-Y233 WeakPolarHBondContact O-CB 3.45Å; L229-Y233 PolarHBondContact O-N 3.42Å |
| 230 | Q | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 106.2 Ų | 106.2 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 172.8 | -76.5 | 173.6 | -17.1 | 0 | 0 | 111.2 | L226 A227 Q228 Y233 H234 | L226-Q230 HydrophobicContact CD1-CG 4.43Å; L226-Q230 WeakPolarHBondContact O-CB 3.26Å; L226-Q230 VanDerWaalsContact O-CG 3.3Å; L226-Q230 WeakPolarHBondContact O-CG 3.48Å; L226-Q230 PolarHBondContact O-N 3.47Å; A227-Q230 PolarHBondContact O-N 2.87Å; Q228-Q230 VanDerWaalsContact C-N 3.35Å; Q228-Q230 PolarHBondContact O-N 2.99Å; Q230-Y233 PolarHBondContact O-N 3.14Å; Q230-H234 PolarHBondContact O-N 3.25Å; Q230-H234 PolarHBondContact O-ND1 2.71Å |
| 231 | V | 98.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 105.5 Ų | 105.5 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | A227 Q228 Y233 H234 Q235 | A227-V231 WeakPolarHBondContact O-CG2 3.47Å; A227-V231 PolarHBondContact O-N 3.45Å; Q228-V231 PolarHBondContact O-N 3.01Å; V231-Y233 VanDerWaalsContact C-N 3.33Å; V231-Y233 PolarHBondContact O-N 2.95Å; V231-H234 PolarHBondContact O-N 2.83Å; V231-Q235 HydrophobicContact CG1-CG 4.5Å; V231-Q235 WeakPolarHBondContact O-CG 3.36Å; V231-Q235 PolarHBondContact O-N 3.27Å |
| 232 | A | 98.1 | Very high | 97.5 | Very high | 41 Ų | 41 | 106.9 Ų | 106.9 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q228 L229 Q235 L236 | Q228-A232 WeakPolarHBondContact O-CB 3.42Å; Q228-A232 PolarHBondContact O-N 3.48Å; L229-A232 PolarHBondContact O-N 2.91Å; A232-Q235 PolarHBondContact O-N 2.85Å; A232-L236 PolarHBondContact O-N 3.44Å |
| 233 | Y | 98.1 | Very high | 97.2 | Very high | 154 Ų | 154 | 107.6 Ų | 107.6 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 175.3 | -179.6 | -92.9 | 0 | 0 | 0 | 112.3 | L229 Q230 V231 Q235 L236 F237 | L229-Y233 WeakPolarHBondContact O-CB 3.45Å; L229-Y233 PolarHBondContact O-N 3.42Å; Q230-Y233 PolarHBondContact O-N 3.14Å; V231-Y233 VanDerWaalsContact C-N 3.33Å; V231-Y233 PolarHBondContact O-N 2.95Å; Y233-Q235 VanDerWaalsContact C-N 3.33Å; Y233-Q235 PolarHBondContact O-N 3.39Å; Y233-L236 PolarHBondContact O-N 3Å; Y233-F237 WeakPolarHBondContact O-CB 3.32Å; Y233-F237 PolarHBondContact O-N 2.81Å |
| 234 | H | 98.2 | Very high | 96.8 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.6 | -74.5 | 82.3 | 0 | 0 | 0 | 112.1 | Q230 V231 Q238 | Q230-H234 PolarHBondContact O-N 3.25Å; Q230-H234 PolarHBondContact O-ND1 2.71Å; V231-H234 PolarHBondContact O-N 2.83Å; H234-Q238 WeakPolarHBondContact O-CB 3.31Å; H234-Q238 VanDerWaalsContact O-CG 3.25Å; H234-Q238 WeakPolarHBondContact O-CG 3.5Å; H234-Q238 PolarHBondContact O-N 3.09Å |
| 235 | Q | 97.9 | Very high | 96.4 | Very high | 103 Ų | 103 | 103.3 Ų | 103.3 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -51.7 | 174.2 | -72.8 | 167.6 | -15 | 0 | 0 | 111.1 | V231 A232 Y233 F237 Q238 E239 | V231-Q235 HydrophobicContact CG1-CG 4.5Å; V231-Q235 WeakPolarHBondContact O-CG 3.36Å; V231-Q235 PolarHBondContact O-N 3.27Å; A232-Q235 PolarHBondContact O-N 2.85Å; Y233-Q235 VanDerWaalsContact C-N 3.33Å; Y233-Q235 PolarHBondContact O-N 3.39Å; Q235-F237 VanDerWaalsContact C-N 3.27Å; Q235-F237 PolarHBondContact O-N 3.36Å; Q235-Q238 WeakPolarHBondContact O-CB 3.49Å; Q235-Q238 PolarHBondContact O-N 3.3Å; Q235-Q238 VanDerWaalsContact O-N 3.09Å; Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 2.96Å |
| 236 | L | 97.8 | Very high | 95.9 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.4 | -38.6 | 176.9 | -117.4 | 160.5 | 0 | 0 | 0 | 112.5 | A232 Y233 Y240 | A232-L236 PolarHBondContact O-N 3.44Å; Y233-L236 PolarHBondContact O-N 3Å; L236-Y240 VanDerWaalsContact O-CB 3.31Å; L236-Y240 WeakPolarHBondContact O-CB 3.41Å; L236-Y240 PolarHBondContact O-N 3.19Å |
| 237 | F | 97.6 | Very high | 95.3 | Very high | 122 Ų | 122 | 99 Ų | 99 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.3 | -170.9 | -87.8 | 0 | 0 | 0 | 112.2 | Y233 Q235 Y240 D241 | Y233-F237 WeakPolarHBondContact O-CB 3.32Å; Y233-F237 PolarHBondContact O-N 2.81Å; Q235-F237 VanDerWaalsContact C-N 3.27Å; Q235-F237 PolarHBondContact O-N 3.36Å; F237-Y240 PolarHBondContact O-N 3.06Å; F237-D241 WeakPolarHBondContact O-CB 3.32Å; F237-D241 PolarHBondContact O-N 3.35Å |
| 238 | Q | 96.5 | Very high | 94.3 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.9 | -72.9 | 169.2 | 28.7 | 0 | 0 | 111.8 | H234 Q235 Y240 D241 N242 | H234-Q238 WeakPolarHBondContact O-CB 3.31Å; H234-Q238 VanDerWaalsContact O-CG 3.25Å; H234-Q238 WeakPolarHBondContact O-CG 3.5Å; H234-Q238 PolarHBondContact O-N 3.09Å; Q235-Q238 WeakPolarHBondContact O-CB 3.49Å; Q235-Q238 PolarHBondContact O-N 3.3Å; Q235-Q238 VanDerWaalsContact O-N 3.09Å; Q238-Y240 VanDerWaalsContact C-N 3.33Å; Q238-Y240 PolarHBondContact O-N 3.44Å; Q238-D241 PolarHBondContact O-N 2.87Å; Q238-N242 WeakPolarHBondContact O-CB 3.44Å; Q238-N242 PolarHBondContact O-N 3.44Å; Q238-N242 PolarHBondContact O-ND2 2.89Å |
| 239 | E | 96.4 | Very high | 93.3 | Very high | 125 Ų | 125 | 96.5 Ų | 96.5 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 174.8 | -73.5 | 173.4 | -171.9 | 0 | 0 | 111.5 | Q235 H243 | Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 2.96Å; E239-H243 VanDerWaalsContact O-CB 3.28Å; E239-H243 WeakPolarHBondContact O-CB 3.41Å; E239-H243 PolarHBondContact O-N 3.38Å |
| 240 | Y | 94.7 | Very high | 92.2 | Very high | 153 Ų | 153 | 97.2 Ų | 97.2 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -45.5 | 177.9 | -175.8 | -105.2 | 0 | 0 | 0 | 113.1 | L236 F237 Q238 H243 I244 | L236-Y240 VanDerWaalsContact O-CB 3.31Å; L236-Y240 WeakPolarHBondContact O-CB 3.41Å; L236-Y240 PolarHBondContact O-N 3.19Å; F237-Y240 PolarHBondContact O-N 3.06Å; Q238-Y240 VanDerWaalsContact C-N 3.33Å; Q238-Y240 PolarHBondContact O-N 3.44Å; Y240-H243 PolarHBondContact O-N 2.86Å; Y240-I244 HydrophobicContact CD1-CD1 3.92Å; Y240-I244 HydrophobicContact CE1-CD1 3.36Å; Y240-I244 HydrophobicContact CE1-CG1 4.33Å; Y240-I244 HydrophobicContact CE2-CD1 4.44Å; Y240-I244 WeakPolarHBondContact O-CG1 3.42Å; Y240-I244 PolarHBondContact O-N 3.35Å |
| 241 | D | 95.2 | Very high | 91.4 | Very high | 55 Ų | 55 | 97.7 Ų | 97.7 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.8 | 176 | 52.7 | 0 | 0 | 0 | 111.6 | F237 Q238 I244 K245 | F237-D241 WeakPolarHBondContact O-CB 3.32Å; F237-D241 PolarHBondContact O-N 3.35Å; Q238-D241 PolarHBondContact O-N 2.87Å; D241-I244 PolarHBondContact O-N 3.38Å; D241-K245 VanDerWaalsContact CG-NZ 3.33Å; D241-K245 WeakPolarHBondContact O-CB 3.42Å; D241-K245 VanDerWaalsContact O-CG 3.31Å; D241-K245 WeakPolarHBondContact O-CG 3.38Å; D241-K245 PolarHBondContact O-N 3.46Å; D241-K245 WeakPolarHBondContact OD1-CE 3.34Å; D241-K245 IonicContact OD1-NZ 3.29Å; D241-K245 PolarHBondContact OD1-NZ 2.85Å; D241-K245 WeakPolarHBondContact OD2-CE 3.23Å; D241-K245 IonicContact OD2-NZ 2.94Å; D241-K245 PolarHBondContact OD2-NZ 2.87Å |
| 242 | N | 92.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 172.8 | -72.5 | -31.7 | 0 | 0 | 0 | 112.1 | Q238 K245 S246 | Q238-N242 WeakPolarHBondContact O-CB 3.44Å; Q238-N242 PolarHBondContact O-N 3.44Å; Q238-N242 PolarHBondContact O-ND2 2.89Å; N242-K245 PolarHBondContact O-N 2.96Å; N242-S246 WeakPolarHBondContact O-CB 3.24Å; N242-S246 PolarHBondContact O-N 2.68Å; N242-S246 PolarHBondContact O-OG 3.16Å |
| 243 | H | 92.8 | Very high | 90.2 | Very high | 117 Ų | 117 | 101.4 Ų | 101.4 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.4 | -180 | -81.6 | 0 | 0 | 0 | 111.5 | E239 Y240 S246 S247 | E239-H243 VanDerWaalsContact O-CB 3.28Å; E239-H243 WeakPolarHBondContact O-CB 3.41Å; E239-H243 PolarHBondContact O-N 3.38Å; Y240-H243 PolarHBondContact O-N 2.86Å; H243-S246 WeakPolarHBondContact CA-OG 3.44Å; H243-S246 PolarHBondContact O-OG 2.93Å; H243-S247 WeakPolarHBondContact O-CB 3.46Å; H243-S247 PolarHBondContact O-N 3.16Å |
| 244 | I | 90.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 36% | 0.359 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 174.3 | -71.5 | 174.6 | 0 | 0 | 0 | 110.3 | Y240 D241 S246 V248 | Y240-I244 HydrophobicContact CD1-CD1 3.92Å; Y240-I244 HydrophobicContact CE1-CD1 3.36Å; Y240-I244 HydrophobicContact CE1-CG1 4.33Å; Y240-I244 HydrophobicContact CE2-CD1 4.44Å; Y240-I244 WeakPolarHBondContact O-CG1 3.42Å; Y240-I244 PolarHBondContact O-N 3.35Å; D241-I244 PolarHBondContact O-N 3.38Å; I244-S246 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 2.75Å; I244-V248 HydrophobicContact CG2-CG2 4.19Å; I244-V248 VanDerWaalsContact O-CB 3.26Å; I244-V248 WeakPolarHBondContact O-CB 3.38Å; I244-V248 WeakPolarHBondContact O-CG2 3.22Å; I244-V248 PolarHBondContact O-N 2.92Å |
| 245 | K | 90.1 | Very high | 89.3 | Confident | 126 Ų | 126 | 98.3 Ų | 98.3 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | -178.7 | -75.7 | 166.8 | 177.4 | 168.3 | 0 | 112.8 | D241 N242 G249 | D241-K245 VanDerWaalsContact CG-NZ 3.33Å; D241-K245 WeakPolarHBondContact O-CB 3.42Å; D241-K245 VanDerWaalsContact O-CG 3.31Å; D241-K245 WeakPolarHBondContact O-CG 3.38Å; D241-K245 PolarHBondContact O-N 3.46Å; D241-K245 WeakPolarHBondContact OD1-CE 3.34Å; D241-K245 IonicContact OD1-NZ 3.29Å; D241-K245 PolarHBondContact OD1-NZ 2.85Å; D241-K245 WeakPolarHBondContact OD2-CE 3.23Å; D241-K245 IonicContact OD2-NZ 2.94Å; D241-K245 PolarHBondContact OD2-NZ 2.87Å; N242-K245 PolarHBondContact O-N 2.96Å; K245-G249 VanDerWaalsContact O-CA 3.23Å; K245-G249 WeakPolarHBondContact O-CA 3.39Å; K245-G249 PolarHBondContact O-N 2.66Å |
| 246 | S | 87.1 | Confident | 88.9 | Confident | 68 Ų | 68 | 98 Ų | 98 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.8 | -47.4 | 178.7 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | N242 H243 I244 M250 | N242-S246 WeakPolarHBondContact O-CB 3.24Å; N242-S246 PolarHBondContact O-N 2.68Å; N242-S246 PolarHBondContact O-OG 3.16Å; H243-S246 WeakPolarHBondContact CA-OG 3.44Å; H243-S246 PolarHBondContact O-OG 2.93Å; I244-S246 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 2.75Å; S246-M250 WeakPolarHBondContact O-CB 3.47Å; S246-M250 PolarHBondContact O-N 3.19Å |
| 247 | S | 84.9 | Confident | 88.7 | Confident | 41 Ų | 41 | 97.9 Ų | 97.9 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -52 | -178.7 | -180 | 0 | 0 | 0 | 0 | 111.9 | H243 Q251 | H243-S247 WeakPolarHBondContact O-CB 3.46Å; H243-S247 PolarHBondContact O-N 3.16Å; S247-Q251 WeakPolarHBondContact O-CB 3.36Å; S247-Q251 WeakPolarHBondContact O-CG 3.49Å; S247-Q251 PolarHBondContact O-N 2.86Å; S247-Q251 VanDerWaalsContact O-N 3.09Å |
| 248 | V | 77.9 | Confident | 88.5 | Confident | 83 Ų | 83 | 98.2 Ų | 98.2 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.3 | -37 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | I244 L252 | I244-V248 HydrophobicContact CG2-CG2 4.19Å; I244-V248 VanDerWaalsContact O-CB 3.26Å; I244-V248 WeakPolarHBondContact O-CB 3.38Å; I244-V248 WeakPolarHBondContact O-CG2 3.22Å; I244-V248 PolarHBondContact O-N 2.92Å; V248-L252 WeakPolarHBondContact O-CB 3.27Å; V248-L252 PolarHBondContact O-N 3.26Å |
| 249 | G | 77.6 | Confident | 88.3 | Confident | 33 Ų | 33 | 97.7 Ų | 97.7 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K245 L252 E253 | K245-G249 VanDerWaalsContact O-CA 3.23Å; K245-G249 WeakPolarHBondContact O-CA 3.39Å; K245-G249 PolarHBondContact O-N 2.66Å; G249-L252 PolarHBondContact O-N 3.46Å; G249-E253 PolarHBondContact O-N 2.9Å |
| 250 | M | 76.1 | Confident | 88.2 | Confident | 132 Ų | 132 | 96.6 Ų | 96.6 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71 | -40.7 | 179.1 | -162.7 | 150.9 | 67.4 | 0 | 0 | 111.7 | S246 L252 E253 D254 | S246-M250 WeakPolarHBondContact O-CB 3.47Å; S246-M250 PolarHBondContact O-N 3.19Å; M250-L252 VanDerWaalsContact C-N 3.33Å; M250-L252 PolarHBondContact O-N 2.88Å; M250-E253 PolarHBondContact O-N 3.49Å; M250-D254 WeakPolarHBondContact O-CB 3.47Å; M250-D254 PolarHBondContact O-N 2.93Å |
| 251 | Q | 80.8 | Confident | 88.1 | Confident | 113 Ų | 113 | 94.8 Ų | 94.8 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 171.5 | -75 | 173.8 | -0.6 | 0 | 0 | 112.5 | S247 L255 | S247-Q251 WeakPolarHBondContact O-CB 3.36Å; S247-Q251 WeakPolarHBondContact O-CG 3.49Å; S247-Q251 PolarHBondContact O-N 2.86Å; S247-Q251 VanDerWaalsContact O-N 3.09Å; Q251-L255 WeakPolarHBondContact O-CB 3.37Å; Q251-L255 WeakPolarHBondContact O-CD1 3.5Å; Q251-L255 PolarHBondContact O-N 3.13Å |
| 252 | L | 84.9 | Confident | 88 | Confident | 96 Ų | 96 | 94.5 Ų | 94.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 178 | -178.5 | 65.4 | 0 | 0 | 0 | 111.5 | V248 G249 M250 L255 K256 | V248-L252 WeakPolarHBondContact O-CB 3.27Å; V248-L252 PolarHBondContact O-N 3.26Å; G249-L252 PolarHBondContact O-N 3.46Å; M250-L252 VanDerWaalsContact C-N 3.33Å; M250-L252 PolarHBondContact O-N 2.88Å; L252-L255 PolarHBondContact O-N 3.37Å; L252-K256 WeakPolarHBondContact O-CG 3.41Å; L252-K256 PolarHBondContact O-N 2.87Å |
| 253 | E | 86.6 | Confident | 88 | Confident | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 178.4 | -142.3 | 63.4 | -152.2 | 0 | 0 | 112 | G249 M250 L255 K256 Q257 | G249-E253 PolarHBondContact O-N 2.9Å; M250-E253 PolarHBondContact O-N 3.49Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 2.95Å; E253-K256 VanDerWaalsContact CD-NZ 3.34Å; E253-K256 PolarHBondContact O-N 2.91Å; E253-K256 WeakPolarHBondContact OE1-CD 3.41Å; E253-K256 IonicContact OE1-NZ 2.6Å; E253-K256 PolarHBondContact OE1-NZ 3.22Å; E253-K256 IonicContact OE2-NZ 3.03Å; E253-K256 PolarHBondContact OE2-NZ 2.72Å; E253-Q257 WeakPolarHBondContact O-CB 3.32Å; E253-Q257 PolarHBondContact O-N 3.3Å |
| 254 | D | 88.2 | Confident | 88.1 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 170.5 | -76 | -20.8 | 0 | 0 | 0 | 111.1 | M250 Q257 Q258 | M250-D254 WeakPolarHBondContact O-CB 3.47Å; M250-D254 PolarHBondContact O-N 2.93Å; D254-Q257 PolarHBondContact O-N 2.98Å; D254-Q258 WeakPolarHBondContact O-CB 3.34Å; D254-Q258 WeakPolarHBondContact O-CG 3.27Å; D254-Q258 PolarHBondContact O-N 3.01Å |
| 255 | L | 89.3 | Confident | 88.3 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 177.2 | -99.6 | 74.8 | 0 | 0 | 0 | 112.4 | Q251 L252 E253 L259 | Q251-L255 WeakPolarHBondContact O-CB 3.37Å; Q251-L255 WeakPolarHBondContact O-CD1 3.5Å; Q251-L255 PolarHBondContact O-N 3.13Å; L252-L255 PolarHBondContact O-N 3.37Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 2.95Å; L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 PolarHBondContact O-N 2.95Å |
| 256 | K | 89.8 | Confident | 88.5 | Confident | 97 Ų | 97 | 93.3 Ų | 93.3 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 173.8 | -74.7 | 175.4 | -167 | 162.2 | 0 | 111.4 | L252 E253 L259 Q260 | L252-K256 WeakPolarHBondContact O-CG 3.41Å; L252-K256 PolarHBondContact O-N 2.87Å; E253-K256 VanDerWaalsContact CD-NZ 3.34Å; E253-K256 PolarHBondContact O-N 2.91Å; E253-K256 WeakPolarHBondContact OE1-CD 3.41Å; E253-K256 IonicContact OE1-NZ 2.6Å; E253-K256 PolarHBondContact OE1-NZ 3.22Å; E253-K256 IonicContact OE2-NZ 3.03Å; E253-K256 PolarHBondContact OE2-NZ 2.72Å; K256-L259 WeakPolarHBondContact O-CB 3.31Å; K256-L259 PolarHBondContact O-N 3.17Å; K256-Q260 WeakPolarHBondContact O-CB 3.44Å; K256-Q260 PolarHBondContact O-N 3.32Å |
| 257 | Q | 92.7 | Very high | 89 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70 | -36.2 | -177.8 | -171.5 | 154.5 | 32 | 0 | 0 | 111.8 | E253 D254 Q261 | E253-Q257 WeakPolarHBondContact O-CB 3.32Å; E253-Q257 PolarHBondContact O-N 3.3Å; D254-Q257 PolarHBondContact O-N 2.98Å; Q257-Q261 WeakPolarHBondContact O-CB 3.47Å; Q257-Q261 VanDerWaalsContact O-CG 3.3Å; Q257-Q261 WeakPolarHBondContact O-CG 3.18Å; Q257-Q261 PolarHBondContact O-N 2.67Å |
| 258 | Q | 93.1 | Very high | 89.4 | Confident | 129 Ų | 129 | 94.5 Ų | 94.5 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 169.3 | -73.8 | 179 | 8.6 | 0 | 0 | 112.2 | D254 Q261 A262 | D254-Q258 WeakPolarHBondContact O-CB 3.34Å; D254-Q258 WeakPolarHBondContact O-CG 3.27Å; D254-Q258 PolarHBondContact O-N 3.01Å; Q258-Q261 PolarHBondContact O-N 3.34Å; Q258-A262 WeakPolarHBondContact O-CB 3.47Å; Q258-A262 PolarHBondContact O-N 2.98Å |
| 259 | L | 93.4 | Very high | 90.2 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 176 | -179.7 | 65 | 0 | 0 | 0 | 111.1 | L255 K256 Q261 A262 E263 | L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 PolarHBondContact O-N 2.95Å; K256-L259 WeakPolarHBondContact O-CB 3.31Å; K256-L259 PolarHBondContact O-N 3.17Å; L259-Q261 PolarHBondContact O-N 3.41Å; L259-A262 CarbonylContact O-C 3.59Å; L259-A262 WeakPolarHBondContact O-CB 3.47Å; L259-A262 PolarHBondContact O-N 2.91Å; L259-A262 VanDerWaalsContact O-N 3.09Å; L259-E263 HydrophobicContact CD1-CG 4.48Å; L259-E263 WeakPolarHBondContact O-CG 3.34Å; L259-E263 PolarHBondContact O-N 2.9Å |
| 260 | Q | 93.3 | Very high | 91.1 | Very high | 103 Ų | 103 | 99.7 Ų | 99.7 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 178.3 | -175.1 | -176.1 | -23.3 | 0 | 0 | 111.7 | K256 A262 E263 E264 | K256-Q260 WeakPolarHBondContact O-CB 3.44Å; K256-Q260 PolarHBondContact O-N 3.32Å; Q260-A262 VanDerWaalsContact C-N 3.29Å; Q260-A262 PolarHBondContact O-N 3Å; Q260-E263 PolarHBondContact O-N 2.9Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.43Å; Q260-E264 PolarHBondContact NE2-OE1 3.36Å; Q260-E264 WeakPolarHBondContact O-CB 3.25Å; Q260-E264 WeakPolarHBondContact O-CG 3.45Å; Q260-E264 PolarHBondContact O-N 2.83Å |
| 261 | Q | 93.4 | Very high | 92 | Very high | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 175.2 | -74.5 | 176.3 | 11.7 | 0 | 0 | 112.3 | Q257 Q258 L259 A265 | Q257-Q261 WeakPolarHBondContact O-CB 3.47Å; Q257-Q261 VanDerWaalsContact O-CG 3.3Å; Q257-Q261 WeakPolarHBondContact O-CG 3.18Å; Q257-Q261 PolarHBondContact O-N 2.67Å; Q258-Q261 PolarHBondContact O-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.41Å; Q261-A265 WeakPolarHBondContact O-CB 3.32Å; Q261-A265 PolarHBondContact O-N 3.16Å |
| 262 | A | 93.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 96.7 Ų | 96.7 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q258 L259 Q260 A265 L266 | Q258-A262 WeakPolarHBondContact O-CB 3.47Å; Q258-A262 PolarHBondContact O-N 2.98Å; L259-A262 CarbonylContact O-C 3.59Å; L259-A262 WeakPolarHBondContact O-CB 3.47Å; L259-A262 PolarHBondContact O-N 2.91Å; L259-A262 VanDerWaalsContact O-N 3.09Å; Q260-A262 VanDerWaalsContact C-N 3.29Å; Q260-A262 PolarHBondContact O-N 3Å; A262-A265 PolarHBondContact O-N 3.45Å; A262-L266 WeakPolarHBondContact O-CB 3.36Å; A262-L266 VanDerWaalsContact O-CG 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.49Å; A262-L266 PolarHBondContact O-N 3.31Å |
| 263 | E | 93.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 95.8 Ų | 95.8 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 174 | -72.2 | 173.7 | 166.5 | 0 | 0 | 111.4 | L259 Q260 A265 L266 V267 | L259-E263 HydrophobicContact CD1-CG 4.48Å; L259-E263 WeakPolarHBondContact O-CG 3.34Å; L259-E263 PolarHBondContact O-N 2.9Å; Q260-E263 PolarHBondContact O-N 2.9Å; E263-A265 VanDerWaalsContact C-N 3.33Å; E263-A265 PolarHBondContact O-N 3.15Å; E263-L266 WeakPolarHBondContact O-CB 3.2Å; E263-L266 PolarHBondContact O-N 3.46Å; E263-L266 VanDerWaalsContact O-N 3.12Å; E263-V267 WeakPolarHBondContact O-CG2 3.31Å; E263-V267 PolarHBondContact O-N 2.92Å |
| 264 | E | 93.9 | Very high | 93.6 | Very high | 109 Ų | 109 | 94.3 Ų | 94.3 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.8 | -72.1 | 172.5 | -167.7 | 0 | 0 | 111.6 | Q260 L266 V267 A268 | Q260-E264 WeakPolarHBondContact CG-OE1 3.43Å; Q260-E264 PolarHBondContact NE2-OE1 3.36Å; Q260-E264 WeakPolarHBondContact O-CB 3.25Å; Q260-E264 WeakPolarHBondContact O-CG 3.45Å; Q260-E264 PolarHBondContact O-N 2.83Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-L266 PolarHBondContact O-N 3Å; E264-V267 PolarHBondContact O-N 3.42Å; E264-A268 WeakPolarHBondContact O-CB 3.42Å; E264-A268 PolarHBondContact O-N 3.11Å |
| 265 | A | 95.1 | Very high | 94 | Very high | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -30.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q261 A262 E263 K269 | Q261-A265 WeakPolarHBondContact O-CB 3.32Å; Q261-A265 PolarHBondContact O-N 3.16Å; A262-A265 PolarHBondContact O-N 3.45Å; E263-A265 VanDerWaalsContact C-N 3.33Å; E263-A265 PolarHBondContact O-N 3.15Å; A265-K269 WeakPolarHBondContact O-CB 3.33Å; A265-K269 VanDerWaalsContact O-CG 3.29Å; A265-K269 WeakPolarHBondContact O-CG 3.44Å; A265-K269 PolarHBondContact O-N 3.09Å |
| 266 | L | 94.8 | Very high | 94.3 | Very high | 118 Ų | 118 | 94.8 Ų | 94.8 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.8 | -42 | 172.6 | -77.9 | 169.7 | 0 | 0 | 0 | 111.2 | A262 E263 E264 K269 Q270 | A262-L266 WeakPolarHBondContact O-CB 3.36Å; A262-L266 VanDerWaalsContact O-CG 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.49Å; A262-L266 PolarHBondContact O-N 3.31Å; E263-L266 WeakPolarHBondContact O-CB 3.2Å; E263-L266 PolarHBondContact O-N 3.46Å; E263-L266 VanDerWaalsContact O-N 3.12Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-L266 PolarHBondContact O-N 3Å; L266-K269 PolarHBondContact O-N 3.04Å; L266-Q270 WeakPolarHBondContact O-CB 3.32Å; L266-Q270 PolarHBondContact O-N 3.25Å |
| 267 | V | 96.4 | Very high | 94.5 | Very high | 85 Ų | 85 | 95.8 Ų | 95.8 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 173.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | E263 E264 K269 Q270 E271 | E263-V267 WeakPolarHBondContact O-CG2 3.31Å; E263-V267 PolarHBondContact O-N 2.92Å; E264-V267 PolarHBondContact O-N 3.42Å; V267-K269 VanDerWaalsContact C-N 3.3Å; V267-K269 PolarHBondContact O-N 3.49Å; V267-Q270 WeakPolarHBondContact O-CA 3.48Å; V267-Q270 WeakPolarHBondContact O-CB 3.24Å; V267-Q270 PolarHBondContact O-N 3.17Å; V267-E271 PolarHBondContact O-N 2.77Å |
| 268 | A | 94.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E264 V272 | E264-A268 WeakPolarHBondContact O-CB 3.42Å; E264-A268 PolarHBondContact O-N 3.11Å; A268-V272 WeakPolarHBondContact O-CG2 3.34Å; A268-V272 PolarHBondContact O-N 2.84Å; A268-V272 VanDerWaalsContact O-N 3.15Å |
| 269 | K | 94.8 | Very high | 94.7 | Very high | 140 Ų | 140 | 94.3 Ų | 94.3 | 61% | 0.609 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.6 | -36.7 | 172.3 | -79.5 | 178.1 | 177.9 | -178.5 | 0 | 112.6 | A265 L266 V267 V272 I273 | A265-K269 WeakPolarHBondContact O-CB 3.33Å; A265-K269 VanDerWaalsContact O-CG 3.29Å; A265-K269 WeakPolarHBondContact O-CG 3.44Å; A265-K269 PolarHBondContact O-N 3.09Å; L266-K269 PolarHBondContact O-N 3.04Å; V267-K269 VanDerWaalsContact C-N 3.3Å; V267-K269 PolarHBondContact O-N 3.49Å; K269-V272 PolarHBondContact O-N 2.82Å; K269-I273 VanDerWaalsContact O-CG1 3.3Å; K269-I273 WeakPolarHBondContact O-CG1 3.34Å; K269-I273 PolarHBondContact O-N 3.48Å |
| 270 | Q | 95.1 | Very high | 94.7 | Very high | 86 Ų | 86 | 92.1 Ų | 92.1 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -44 | 176.1 | -172.9 | 54.4 | 53.9 | 0 | 0 | 110.9 | L266 V267 V272 I273 D274 | L266-Q270 WeakPolarHBondContact O-CB 3.32Å; L266-Q270 PolarHBondContact O-N 3.25Å; V267-Q270 WeakPolarHBondContact O-CA 3.48Å; V267-Q270 WeakPolarHBondContact O-CB 3.24Å; V267-Q270 PolarHBondContact O-N 3.17Å; Q270-V272 VanDerWaalsContact C-N 3.32Å; Q270-V272 PolarHBondContact O-N 2.89Å; Q270-I273 WeakPolarHBondContact O-CB 3.45Å; Q270-I273 PolarHBondContact O-N 2.84Å; Q270-I273 VanDerWaalsContact O-N 3.14Å; Q270-D274 PolarHBondContact NE2-OD1 3.46Å; Q270-D274 PolarHBondContact NE2-OD2 3.38Å; Q270-D274 PolarHBondContact O-N 2.86Å |
| 271 | E | 95.1 | Very high | 94.7 | Very high | 104 Ų | 104 | 91.6 Ų | 91.6 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 172.7 | -69.1 | -179.2 | -169.6 | 0 | 0 | 112.9 | V267 D274 K275 | V267-E271 PolarHBondContact O-N 2.77Å; E271-D274 PolarHBondContact O-N 3.26Å; E271-K275 WeakPolarHBondContact O-CB 3.3Å; E271-K275 VanDerWaalsContact O-CG 3.31Å; E271-K275 WeakPolarHBondContact O-CG 3.48Å; E271-K275 PolarHBondContact O-N 2.87Å |
| 272 | V | 96.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 91 Ų | 91 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | A268 K269 Q270 D274 K275 L276 | A268-V272 WeakPolarHBondContact O-CG2 3.34Å; A268-V272 PolarHBondContact O-N 2.84Å; A268-V272 VanDerWaalsContact O-N 3.15Å; K269-V272 PolarHBondContact O-N 2.82Å; Q270-V272 VanDerWaalsContact C-N 3.32Å; Q270-V272 PolarHBondContact O-N 2.89Å; V272-D274 VanDerWaalsContact C-N 3.32Å; V272-D274 PolarHBondContact O-N 3.42Å; V272-K275 PolarHBondContact O-N 2.98Å; V272-L276 HydrophobicContact CG1-CD1 3.93Å; V272-L276 HydrophobicContact CG1-CG 4.41Å; V272-L276 WeakPolarHBondContact O-CB 3.45Å; V272-L276 VanDerWaalsContact O-CG 3.26Å; V272-L276 WeakPolarHBondContact O-CG 3.31Å; V272-L276 PolarHBondContact O-N 3.38Å |
| 273 | I | 94.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 94.6 Ų | 94.6 | 40% | 0.395 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.3 | -74.2 | 164.4 | 0 | 0 | 0 | 110.7 | K269 Q270 L276 K277 | K269-I273 VanDerWaalsContact O-CG1 3.3Å; K269-I273 WeakPolarHBondContact O-CG1 3.34Å; K269-I273 PolarHBondContact O-N 3.48Å; Q270-I273 WeakPolarHBondContact O-CB 3.45Å; Q270-I273 PolarHBondContact O-N 2.84Å; Q270-I273 VanDerWaalsContact O-N 3.14Å; I273-L276 PolarHBondContact O-N 3.33Å; I273-K277 HydrophobicContact CG2-CD 4.3Å; I273-K277 VanDerWaalsContact CG2-CE 3.49Å; I273-K277 WeakPolarHBondContact O-CG 3.3Å; I273-K277 PolarHBondContact O-N 2.84Å |
| 274 | D | 95.4 | Very high | 94.9 | Very high | 72 Ų | 72 | 94 Ų | 94 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.4 | -35.9 | -177.2 | -64.8 | -31.8 | 0 | 0 | 0 | 112 | Q270 E271 V272 K277 E278 | Q270-D274 PolarHBondContact NE2-OD1 3.46Å; Q270-D274 PolarHBondContact NE2-OD2 3.38Å; Q270-D274 PolarHBondContact O-N 2.86Å; E271-D274 PolarHBondContact O-N 3.26Å; V272-D274 VanDerWaalsContact C-N 3.32Å; V272-D274 PolarHBondContact O-N 3.42Å; D274-K277 PolarHBondContact O-N 2.95Å; D274-K277 IonicContact OD1-NZ 3.77Å; D274-K277 PolarHBondContact OD1-NZ 3.43Å; D274-E278 PolarHBondContact O-N 3.36Å |
| 275 | K | 96.2 | Very high | 94.9 | Very high | 113 Ų | 113 | 93.5 Ų | 93.5 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 166.8 | -73.6 | 165.9 | -175.4 | 161.3 | 0 | 112.1 | E271 V272 K277 E278 E279 | E271-K275 WeakPolarHBondContact O-CB 3.3Å; E271-K275 VanDerWaalsContact O-CG 3.31Å; E271-K275 WeakPolarHBondContact O-CG 3.48Å; E271-K275 PolarHBondContact O-N 2.87Å; V272-K275 PolarHBondContact O-N 2.98Å; K275-K277 VanDerWaalsContact C-N 3.29Å; K275-K277 PolarHBondContact O-N 3.28Å; K275-E278 WeakPolarHBondContact O-CB 3.46Å; K275-E278 PolarHBondContact O-N 2.94Å; K275-E278 VanDerWaalsContact O-N 3.13Å; K275-E279 WeakPolarHBondContact O-CG 3.46Å; K275-E279 PolarHBondContact O-N 2.89Å |
| 276 | L | 95.4 | Very high | 94.8 | Very high | 98 Ų | 98 | 95.6 Ų | 95.6 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 178 | -73.2 | 171.1 | 0 | 0 | 0 | 112.7 | V272 I273 A280 | V272-L276 HydrophobicContact CG1-CD1 3.93Å; V272-L276 HydrophobicContact CG1-CG 4.41Å; V272-L276 WeakPolarHBondContact O-CB 3.45Å; V272-L276 VanDerWaalsContact O-CG 3.26Å; V272-L276 WeakPolarHBondContact O-CG 3.31Å; V272-L276 PolarHBondContact O-N 3.38Å; I273-L276 PolarHBondContact O-N 3.33Å; L276-A280 WeakPolarHBondContact O-CB 3.47Å; L276-A280 PolarHBondContact O-N 2.92Å |
| 277 | K | 95.3 | Very high | 94.7 | Very high | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -42.1 | 171 | -73.6 | 170.9 | -169 | 158.2 | 0 | 111.9 | I273 D274 K275 A280 E281 | I273-K277 HydrophobicContact CG2-CD 4.3Å; I273-K277 VanDerWaalsContact CG2-CE 3.49Å; I273-K277 WeakPolarHBondContact O-CG 3.3Å; I273-K277 PolarHBondContact O-N 2.84Å; D274-K277 PolarHBondContact O-N 2.95Å; D274-K277 IonicContact OD1-NZ 3.77Å; D274-K277 PolarHBondContact OD1-NZ 3.43Å; K275-K277 VanDerWaalsContact C-N 3.29Å; K275-K277 PolarHBondContact O-N 3.28Å; K277-A280 PolarHBondContact O-N 3.44Å; K277-E281 PolarHBondContact O-N 3.35Å |
| 278 | E | 94.4 | Very high | 94.5 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -49.8 | 176.6 | -166.6 | -171.1 | 160.7 | 0 | 0 | 110.7 | D274 K275 A280 E281 Q282 | D274-E278 PolarHBondContact O-N 3.36Å; K275-E278 WeakPolarHBondContact O-CB 3.46Å; K275-E278 PolarHBondContact O-N 2.94Å; K275-E278 VanDerWaalsContact O-N 3.13Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.44Å; E278-E281 PolarHBondContact O-N 3.48Å; E278-Q282 WeakPolarHBondContact O-CG 3.39Å; E278-Q282 PolarHBondContact O-N 3.38Å; E278-Q282 PolarHBondContact OE1-NE2 3.18Å |
| 279 | E | 94.8 | Very high | 94.4 | Very high | 94 Ų | 94 | 98.6 Ų | 98.6 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 173.5 | -71.3 | 176.3 | -173.2 | 0 | 0 | 111.9 | K275 Q282 H283 | K275-E279 WeakPolarHBondContact O-CG 3.46Å; K275-E279 PolarHBondContact O-N 2.89Å; E279-Q282 PolarHBondContact O-N 3.43Å; E279-H283 WeakPolarHBondContact O-CB 3.12Å; E279-H283 VanDerWaalsContact O-CG 3.24Å; E279-H283 PolarHBondContact O-N 3.03Å; E279-H283 PolarHBondContact O-ND1 2.82Å |
| 280 | A | 93.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 95.9 Ų | 95.9 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L276 K277 E278 H283 K284 | L276-A280 WeakPolarHBondContact O-CB 3.47Å; L276-A280 PolarHBondContact O-N 2.92Å; K277-A280 PolarHBondContact O-N 3.44Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.44Å; A280-H283 PolarHBondContact O-N 2.84Å; A280-K284 WeakPolarHBondContact O-CB 3.26Å; A280-K284 PolarHBondContact O-N 3.44Å |
| 281 | E | 94.1 | Very high | 94.2 | Very high | 93 Ų | 93 | 95.9 Ų | 95.9 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73 | -37.5 | 176.8 | -168.4 | 62.3 | -156.8 | 0 | 0 | 111.4 | K277 E278 K284 I285 | K277-E281 PolarHBondContact O-N 3.35Å; E278-E281 PolarHBondContact O-N 3.48Å; E281-K284 WeakPolarHBondContact O-CB 3.4Å; E281-K284 PolarHBondContact O-N 2.86Å; E281-K284 IonicContact OE1-NZ 2.74Å; E281-K284 PolarHBondContact OE1-NZ 3.1Å; E281-K284 IonicContact OE2-NZ 3.71Å; E281-K284 PolarHBondContact OE2-NZ 2.89Å; E281-I285 WeakPolarHBondContact O-CG1 3.45Å; E281-I285 PolarHBondContact O-N 3.31Å |
| 282 | Q | 94.4 | Very high | 94.1 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 169.6 | -69.6 | 175.3 | 16.5 | 0 | 0 | 111.3 | E278 E279 K284 I285 V286 | E278-Q282 WeakPolarHBondContact O-CG 3.39Å; E278-Q282 PolarHBondContact O-N 3.38Å; E278-Q282 PolarHBondContact OE1-NE2 3.18Å; E279-Q282 PolarHBondContact O-N 3.43Å; Q282-K284 VanDerWaalsContact C-N 3.3Å; Q282-K284 PolarHBondContact O-N 3.45Å; Q282-I285 PolarHBondContact O-N 2.96Å; Q282-V286 WeakPolarHBondContact O-CG2 3.49Å; Q282-V286 PolarHBondContact O-N 3.36Å; Q282-V286 VanDerWaalsContact O-N 3.09Å |
| 283 | H | 94.1 | Very high | 94 | Very high | 123 Ų | 123 | 96.7 Ų | 96.7 | 57% | 0.569 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -37.9 | 174.8 | -73.3 | 128.7 | 0 | 0 | 0 | 112.2 | E279 A280 V286 M287 | E279-H283 WeakPolarHBondContact O-CB 3.12Å; E279-H283 VanDerWaalsContact O-CG 3.24Å; E279-H283 PolarHBondContact O-N 3.03Å; E279-H283 PolarHBondContact O-ND1 2.82Å; A280-H283 PolarHBondContact O-N 2.84Å; H283-V286 PolarHBondContact O-N 2.81Å; H283-M287 WeakPolarHBondContact O-CG 3.42Å; H283-M287 PolarHBondContact O-N 3.14Å |
| 284 | K | 95.2 | Very high | 94 | Very high | 93 Ų | 93 | 99.7 Ų | 99.7 | 40% | 0.404 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.3 | 172.7 | 170 | 151.1 | -111.3 | 0 | 112 | A280 E281 Q282 V286 M287 E288 | A280-K284 WeakPolarHBondContact O-CB 3.26Å; A280-K284 PolarHBondContact O-N 3.44Å; E281-K284 WeakPolarHBondContact O-CB 3.4Å; E281-K284 PolarHBondContact O-N 2.86Å; E281-K284 IonicContact OE1-NZ 2.74Å; E281-K284 PolarHBondContact OE1-NZ 3.1Å; E281-K284 IonicContact OE2-NZ 3.71Å; E281-K284 PolarHBondContact OE2-NZ 2.89Å; Q282-K284 VanDerWaalsContact C-N 3.3Å; Q282-K284 PolarHBondContact O-N 3.45Å; K284-V286 VanDerWaalsContact C-N 3.3Å; K284-V286 PolarHBondContact O-N 3.07Å; K284-M287 CarbonylContact O-C 3.59Å; K284-M287 PolarHBondContact O-N 2.92Å; K284-M287 VanDerWaalsContact O-N 3.08Å; K284-E288 WeakPolarHBondContact O-CG 3.46Å; K284-E288 PolarHBondContact O-N 2.94Å |
| 285 | I | 92.9 | Very high | 93.9 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 174.2 | -65.2 | 162.9 | 0 | 0 | 0 | 110.8 | E281 Q282 E288 | E281-I285 WeakPolarHBondContact O-CG1 3.45Å; E281-I285 PolarHBondContact O-N 3.31Å; Q282-I285 PolarHBondContact O-N 2.96Å; I285-E288 PolarHBondContact O-N 2.84Å |
| 286 | V | 94 | Very high | 93.7 | Very high | 94 Ų | 94 | 97 Ų | 97 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 175 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | Q282 H283 K284 E288 T289 | Q282-V286 WeakPolarHBondContact O-CG2 3.49Å; Q282-V286 PolarHBondContact O-N 3.36Å; Q282-V286 VanDerWaalsContact O-N 3.09Å; H283-V286 PolarHBondContact O-N 2.81Å; K284-V286 VanDerWaalsContact C-N 3.3Å; K284-V286 PolarHBondContact O-N 3.07Å; V286-E288 VanDerWaalsContact C-N 3.32Å; V286-E288 PolarHBondContact O-N 3.39Å; V286-T289 WeakPolarHBondContact O-CB 3.34Å; V286-T289 PolarHBondContact O-N 2.89Å; V286-T289 VanDerWaalsContact O-N 3.14Å; V286-T289 PolarHBondContact O-OG1 3.39Å |
| 287 | M | 91 | Very high | 93.6 | Very high | 135 Ų | 135 | 95 Ų | 95 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -31.3 | 176.2 | -74.7 | -163.3 | 74.7 | 0 | 0 | 113.3 | H283 K284 T289 V290 P291 | H283-M287 WeakPolarHBondContact O-CG 3.42Å; H283-M287 PolarHBondContact O-N 3.14Å; K284-M287 CarbonylContact O-C 3.59Å; K284-M287 PolarHBondContact O-N 2.92Å; K284-M287 VanDerWaalsContact O-N 3.08Å; M287-T289 PolarHBondContact O-N 2.88Å; M287-V290 WeakPolarHBondContact O-CB 3.47Å; M287-V290 PolarHBondContact O-N 3.24Å; M287-P291 VanDerWaalsContact O-CD 3.29Å; M287-P291 WeakPolarHBondContact O-CD 3.49Å |
| 288 | E | 92.5 | Very high | 93.5 | Very high | 114 Ų | 114 | 93.6 Ų | 93.6 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -16.6 | 173.7 | -73.5 | 173.3 | -169.2 | 0 | 0 | 113 | K284 I285 V286 P291 | K284-E288 WeakPolarHBondContact O-CG 3.46Å; K284-E288 PolarHBondContact O-N 2.94Å; I285-E288 PolarHBondContact O-N 2.84Å; V286-E288 VanDerWaalsContact C-N 3.32Å; V286-E288 PolarHBondContact O-N 3.39Å; E288-P291 WeakPolarHBondContact O-CD 3.43Å |
| 289 | T | 92.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 92.4 Ų | 92.4 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.3 | -23.3 | 170.3 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | V286 M287 V292 L293 | V286-T289 WeakPolarHBondContact O-CB 3.34Å; V286-T289 PolarHBondContact O-N 2.89Å; V286-T289 VanDerWaalsContact O-N 3.14Å; V286-T289 PolarHBondContact O-OG1 3.39Å; M287-T289 PolarHBondContact O-N 2.88Å; T289-V292 WeakPolarHBondContact O-CB 3.46Å; T289-V292 PolarHBondContact O-N 3.22Å; T289-V292 VanDerWaalsContact O-N 3.1Å; T289-L293 WeakPolarHBondContact O-CG 3.45Å; T289-L293 PolarHBondContact O-N 2.88Å |
| 290 | V | 92.4 | Very high | 93.5 | Very high | 83 Ų | 83 | 94.7 Ų | 94.7 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | -175.5 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | M287 V292 L293 K294 | M287-V290 WeakPolarHBondContact O-CB 3.47Å; M287-V290 PolarHBondContact O-N 3.24Å; V290-V292 VanDerWaalsContact C-N 3.29Å; V290-V292 PolarHBondContact O-N 3.24Å; V290-L293 PolarHBondContact O-N 2.95Å; V290-K294 VanDerWaalsContact O-CB 3.26Å; V290-K294 WeakPolarHBondContact O-CB 3.44Å; V290-K294 PolarHBondContact O-N 3.24Å |
| 291 | P | 93.3 | Very high | 93.6 | Very high | 87 Ų | 87 | 97.9 Ų | 97.9 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.7 | -38.6 | 169.7 | -26.9 | 35.1 | 0 | 0 | 0 | 113.9 | M287 E288 K294 A295 | M287-P291 VanDerWaalsContact O-CD 3.29Å; M287-P291 WeakPolarHBondContact O-CD 3.49Å; E288-P291 WeakPolarHBondContact O-CD 3.43Å; P291-K294 PolarHBondContact O-N 3.41Å; P291-A295 WeakPolarHBondContact O-CB 3.42Å; P291-A295 PolarHBondContact O-N 2.86Å |
| 292 | V | 94 | Very high | 93.5 | Very high | 97 Ų | 97 | 95.9 Ų | 95.9 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.8 | -48.5 | -179.5 | -178 | 0 | 0 | 0 | 0 | 110.8 | T289 V290 K294 A295 Q296 | T289-V292 WeakPolarHBondContact O-CB 3.46Å; T289-V292 PolarHBondContact O-N 3.22Å; T289-V292 VanDerWaalsContact O-N 3.1Å; V290-V292 VanDerWaalsContact C-N 3.29Å; V290-V292 PolarHBondContact O-N 3.24Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.12Å; V292-A295 PolarHBondContact O-N 3.32Å; V292-Q296 WeakPolarHBondContact O-CB 3.35Å; V292-Q296 PolarHBondContact O-N 3.08Å |
| 293 | L | 93.3 | Very high | 93.5 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 175.9 | -68.7 | 172.5 | 0 | 0 | 0 | 112 | T289 V290 Q296 A297 | T289-L293 WeakPolarHBondContact O-CG 3.45Å; T289-L293 PolarHBondContact O-N 2.88Å; V290-L293 PolarHBondContact O-N 2.95Å; L293-Q296 PolarHBondContact O-N 3.25Å; L293-A297 WeakPolarHBondContact O-CB 3.34Å; L293-A297 PolarHBondContact O-N 2.93Å |
| 294 | K | 93.7 | Very high | 93.5 | Very high | 141 Ų | 141 | 96.5 Ų | 96.5 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | 174.6 | -171.5 | 172.3 | -177.2 | 177.7 | 0 | 111.7 | V290 P291 V292 Q296 A297 D298 | V290-K294 VanDerWaalsContact O-CB 3.26Å; V290-K294 WeakPolarHBondContact O-CB 3.44Å; V290-K294 PolarHBondContact O-N 3.24Å; P291-K294 PolarHBondContact O-N 3.41Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.12Å; K294-Q296 VanDerWaalsContact C-N 3.32Å; K294-Q296 PolarHBondContact O-N 3.33Å; K294-A297 PolarHBondContact O-N 3.08Å; K294-D298 PolarHBondContact O-N 2.96Å |
| 295 | A | 93.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 96.7 Ų | 96.7 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | P291 V292 D298 I299 | P291-A295 WeakPolarHBondContact O-CB 3.42Å; P291-A295 PolarHBondContact O-N 2.86Å; V292-A295 PolarHBondContact O-N 3.32Å; A295-D298 PolarHBondContact O-N 2.9Å; A295-I299 WeakPolarHBondContact O-CB 3.39Å; A295-I299 VanDerWaalsContact O-CG1 3.25Å; A295-I299 WeakPolarHBondContact O-CG1 3.49Å; A295-I299 PolarHBondContact O-N 3.49Å |
| 296 | Q | 93.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 94.6 Ų | 94.6 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 174.1 | -174.5 | -179.9 | 12 | 0 | 0 | 111.9 | V292 L293 K294 I299 Y300 | V292-Q296 WeakPolarHBondContact O-CB 3.35Å; V292-Q296 PolarHBondContact O-N 3.08Å; L293-Q296 PolarHBondContact O-N 3.25Å; K294-Q296 VanDerWaalsContact C-N 3.32Å; K294-Q296 PolarHBondContact O-N 3.33Å; Q296-I299 PolarHBondContact O-N 2.87Å; Q296-Y300 HydrophobicContact CG-CD2 4.11Å; Q296-Y300 HydrophobicContact CG-CE2 3.63Å; Q296-Y300 PolarHBondContact NE2-OH 2.92Å; Q296-Y300 PolarHBondContact O-N 2.84Å |
| 297 | A | 92.6 | Very high | 93.3 | Very high | 55 Ų | 55 | 94.9 Ų | 94.9 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L293 K294 K301 | L293-A297 WeakPolarHBondContact O-CB 3.34Å; L293-A297 PolarHBondContact O-N 2.93Å; K294-A297 PolarHBondContact O-N 3.08Å; A297-K301 VanDerWaalsContact O-CB 3.28Å; A297-K301 WeakPolarHBondContact O-CB 3.26Å; A297-K301 PolarHBondContact O-N 3.07Å |
| 298 | D | 93.6 | Very high | 93.4 | Very high | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 175.5 | -75.9 | -38.3 | 0 | 0 | 0 | 111.9 | K294 A295 K301 A302 | K294-D298 PolarHBondContact O-N 2.96Å; A295-D298 PolarHBondContact O-N 2.9Å; D298-K301 PolarHBondContact O-N 3.32Å; D298-A302 WeakPolarHBondContact O-CB 3.48Å; D298-A302 PolarHBondContact O-N 3.17Å |
| 299 | I | 93.7 | Very high | 93.4 | Very high | 94 Ų | 94 | 95 Ų | 95 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -53 | 172.2 | -70 | 163.6 | 0 | 0 | 0 | 110.5 | A295 Q296 K301 A302 D303 | A295-I299 WeakPolarHBondContact O-CB 3.39Å; A295-I299 VanDerWaalsContact O-CG1 3.25Å; A295-I299 WeakPolarHBondContact O-CG1 3.49Å; A295-I299 PolarHBondContact O-N 3.49Å; Q296-I299 PolarHBondContact O-N 2.87Å; I299-K301 PolarHBondContact O-N 3.3Å; I299-A302 CarbonylContact O-C 3.59Å; I299-A302 WeakPolarHBondContact O-CA 3.4Å; I299-A302 WeakPolarHBondContact O-CB 3.33Å; I299-A302 PolarHBondContact O-N 2.67Å; I299-D303 PolarHBondContact O-N 2.86Å |
| 300 | Y | 95.1 | Very high | 93.3 | Very high | 142 Ų | 142 | 94.3 Ų | 94.3 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -32.7 | 178.5 | -70.2 | -25.5 | 0 | 0 | 0 | 113 | Q296 F304 | Q296-Y300 HydrophobicContact CG-CD2 4.11Å; Q296-Y300 HydrophobicContact CG-CE2 3.63Å; Q296-Y300 PolarHBondContact NE2-OH 2.92Å; Q296-Y300 PolarHBondContact O-N 2.84Å; Y300-F304 WeakPolarHBondContact O-CB 3.22Å; Y300-F304 PolarHBondContact O-N 3.18Å |
| 301 | K | 94.8 | Very high | 93.3 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 53% | 0.53 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 172.3 | 179.1 | -176.2 | 172.8 | -169.8 | 0 | 111.9 | A297 D298 I299 Q305 | A297-K301 VanDerWaalsContact O-CB 3.28Å; A297-K301 WeakPolarHBondContact O-CB 3.26Å; A297-K301 PolarHBondContact O-N 3.07Å; D298-K301 PolarHBondContact O-N 3.32Å; I299-K301 PolarHBondContact O-N 3.3Å; K301-Q305 WeakPolarHBondContact O-CB 3.38Å; K301-Q305 VanDerWaalsContact O-CG 3.26Å; K301-Q305 WeakPolarHBondContact O-CG 3.32Å; K301-Q305 PolarHBondContact O-N 3.07Å |
| 302 | A | 93.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D298 I299 F304 Q305 A306 | D298-A302 WeakPolarHBondContact O-CB 3.48Å; D298-A302 PolarHBondContact O-N 3.17Å; I299-A302 CarbonylContact O-C 3.59Å; I299-A302 WeakPolarHBondContact O-CA 3.4Å; I299-A302 WeakPolarHBondContact O-CB 3.33Å; I299-A302 PolarHBondContact O-N 2.67Å; A302-F304 PolarHBondContact O-N 3.37Å; A302-Q305 WeakPolarHBondContact O-CB 3.19Å; A302-Q305 PolarHBondContact O-N 2.91Å; A302-Q305 VanDerWaalsContact O-N 3.17Å; A302-A306 WeakPolarHBondContact O-CB 3.23Å; A302-A306 PolarHBondContact O-N 3.39Å |
| 303 | D | 94.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 99.3 Ų | 99.3 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.3 | -69 | -19.3 | 0 | 0 | 0 | 111.4 | I299 Q305 A306 E307 | I299-D303 PolarHBondContact O-N 2.86Å; D303-Q305 VanDerWaalsContact C-N 3.32Å; D303-Q305 PolarHBondContact O-N 2.96Å; D303-A306 PolarHBondContact O-N 3.29Å; D303-E307 WeakPolarHBondContact O-CB 3.39Å; D303-E307 PolarHBondContact O-N 3.18Å |
| 304 | F | 93.9 | Very high | 92.8 | Very high | 146 Ų | 146 | 100.6 Ų | 100.6 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 175.1 | 179.2 | -94.8 | 0 | 0 | 0 | 112.2 | Y300 A302 R308 | Y300-F304 WeakPolarHBondContact O-CB 3.22Å; Y300-F304 PolarHBondContact O-N 3.18Å; A302-F304 PolarHBondContact O-N 3.37Å; F304-R308 WeakPolarHBondContact O-CB 3.38Å; F304-R308 PolarHBondContact O-N 2.86Å |
| 305 | Q | 93.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 174.3 | -74.4 | 176.7 | 2.7 | 0 | 0 | 112 | K301 A302 D303 R308 Q309 | K301-Q305 WeakPolarHBondContact O-CB 3.38Å; K301-Q305 VanDerWaalsContact O-CG 3.26Å; K301-Q305 WeakPolarHBondContact O-CG 3.32Å; K301-Q305 PolarHBondContact O-N 3.07Å; A302-Q305 WeakPolarHBondContact O-CB 3.19Å; A302-Q305 PolarHBondContact O-N 2.91Å; A302-Q305 VanDerWaalsContact O-N 3.17Å; D303-Q305 VanDerWaalsContact C-N 3.32Å; D303-Q305 PolarHBondContact O-N 2.96Å; Q305-R308 PolarHBondContact O-N 3.19Å; Q305-Q309 WeakPolarHBondContact O-CB 3.31Å; Q305-Q309 VanDerWaalsContact O-CG 3.3Å; Q305-Q309 WeakPolarHBondContact O-CG 3.18Å; Q305-Q309 PolarHBondContact O-N 2.86Å |
| 306 | A | 92.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A302 D303 R308 Q309 A310 | A302-A306 WeakPolarHBondContact O-CB 3.23Å; A302-A306 PolarHBondContact O-N 3.39Å; D303-A306 PolarHBondContact O-N 3.29Å; A306-R308 VanDerWaalsContact C-N 3.33Å; A306-R308 PolarHBondContact O-N 3.46Å; A306-Q309 PolarHBondContact O-N 2.89Å; A306-A310 WeakPolarHBondContact O-CB 3.41Å; A306-A310 PolarHBondContact O-N 2.76Å |
| 307 | E | 93.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 103 Ų | 103 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.2 | 175.1 | 59.7 | -159.6 | 0 | 0 | 111.2 | D303 A310 R311 | D303-E307 WeakPolarHBondContact O-CB 3.39Å; D303-E307 PolarHBondContact O-N 3.18Å; E307-A310 PolarHBondContact O-N 3.48Å; E307-R311 WeakPolarHBondContact O-CG 3.25Å; E307-R311 PolarHBondContact O-N 2.93Å; E307-R311 IonicContact OE1-CZ 3.63Å; E307-R311 IonicContact OE1-NE 3.19Å; E307-R311 PolarHBondContact OE1-NE 2.82Å; E307-R311 IonicContact OE1-NH2 2.66Å |
| 308 | R | 93 | Very high | 91.9 | Very high | 145 Ų | 145 | 106.5 Ų | 106.5 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 173.3 | 177.8 | 178.3 | 168.5 | 165 | 2.2 | 111.9 | F304 Q305 A306 A310 R311 E312 | F304-R308 WeakPolarHBondContact O-CB 3.38Å; F304-R308 PolarHBondContact O-N 2.86Å; Q305-R308 PolarHBondContact O-N 3.19Å; A306-R308 VanDerWaalsContact C-N 3.33Å; A306-R308 PolarHBondContact O-N 3.46Å; R308-A310 VanDerWaalsContact C-N 3.28Å; R308-A310 PolarHBondContact O-N 3.36Å; R308-R311 PolarHBondContact O-N 3.37Å; R308-R311 VanDerWaalsContact O-N 3.17Å; R308-E312 HydrophobicContact CG-CG 4.43Å; R308-E312 IonicContact CZ-OE1 3.91Å; R308-E312 VanDerWaalsContact CZ-OE1 3.23Å; R308-E312 IonicContact NE-OE1 2.81Å; R308-E312 PolarHBondContact NE-OE1 3.31Å; R308-E312 IonicContact NE-OE2 2.71Å; R308-E312 IonicContact NH2-OE1 3.23Å; R308-E312 PolarHBondContact NH2-OE1 3.2Å; R308-E312 WeakPolarHBondContact O-CG 3.45Å; R308-E312 PolarHBondContact O-N 2.87Å |
| 309 | Q | 92.6 | Very high | 91.6 | Very high | 106 Ų | 106 | 108.7 Ų | 108.7 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 177.7 | -74.5 | 177.1 | 14.4 | 0 | 0 | 112.2 | Q305 A306 K313 | Q305-Q309 WeakPolarHBondContact O-CB 3.31Å; Q305-Q309 VanDerWaalsContact O-CG 3.3Å; Q305-Q309 WeakPolarHBondContact O-CG 3.18Å; Q305-Q309 PolarHBondContact O-N 2.86Å; A306-Q309 PolarHBondContact O-N 2.89Å; Q309-K313 WeakPolarHBondContact O-CB 3.22Å; Q309-K313 WeakPolarHBondContact O-CG 3.38Å; Q309-K313 PolarHBondContact O-N 3.5Å |
| 310 | A | 90.6 | Very high | 91.3 | Very high | 51 Ų | 51 | 108.7 Ų | 108.7 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A306 E307 R308 L314 | A306-A310 WeakPolarHBondContact O-CB 3.41Å; A306-A310 PolarHBondContact O-N 2.76Å; E307-A310 PolarHBondContact O-N 3.48Å; R308-A310 VanDerWaalsContact C-N 3.28Å; R308-A310 PolarHBondContact O-N 3.36Å; A310-L314 VanDerWaalsContact O-CB 3.3Å; A310-L314 WeakPolarHBondContact O-CB 3.44Å; A310-L314 PolarHBondContact O-N 2.89Å |
| 311 | R | 91.3 | Very high | 90.8 | Very high | 173 Ų | 173 | 107.1 Ų | 107.1 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 173.6 | -76.6 | -174 | -177.8 | -161.4 | -4.4 | 113.4 | E307 R308 L314 A315 | E307-R311 WeakPolarHBondContact O-CG 3.25Å; E307-R311 PolarHBondContact O-N 2.93Å; E307-R311 IonicContact OE1-CZ 3.63Å; E307-R311 IonicContact OE1-NE 3.19Å; E307-R311 PolarHBondContact OE1-NE 2.82Å; E307-R311 IonicContact OE1-NH2 2.66Å; R308-R311 PolarHBondContact O-N 3.37Å; R308-R311 VanDerWaalsContact O-N 3.17Å; R311-L314 CarbonylContact O-C 3.59Å; R311-L314 PolarHBondContact O-N 3.33Å; R311-A315 WeakPolarHBondContact O-CB 3.32Å; R311-A315 PolarHBondContact O-N 3.47Å |
| 312 | E | 91.1 | Very high | 90.3 | Very high | 78 Ų | 78 | 106 Ų | 106 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.1 | -74.8 | 168.5 | 164.6 | 0 | 0 | 110.1 | R308 L314 A315 E316 | R308-E312 HydrophobicContact CG-CG 4.43Å; R308-E312 IonicContact CZ-OE1 3.91Å; R308-E312 VanDerWaalsContact CZ-OE1 3.23Å; R308-E312 IonicContact NE-OE1 2.81Å; R308-E312 PolarHBondContact NE-OE1 3.31Å; R308-E312 IonicContact NE-OE2 2.71Å; R308-E312 IonicContact NH2-OE1 3.23Å; R308-E312 PolarHBondContact NH2-OE1 3.2Å; R308-E312 WeakPolarHBondContact O-CG 3.45Å; R308-E312 PolarHBondContact O-N 2.87Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 2.83Å; E312-A315 WeakPolarHBondContact O-CB 3.25Å; E312-A315 PolarHBondContact O-N 2.82Å; E312-A315 VanDerWaalsContact O-N 3.16Å; E312-E316 WeakPolarHBondContact O-CG 3.34Å; E312-E316 PolarHBondContact O-N 3.38Å |
| 313 | K | 92.1 | Very high | 89.9 | Confident | 121 Ų | 121 | 109.3 Ų | 109.3 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -31 | 173.2 | -72.2 | 171.8 | -177.9 | 171 | 0 | 114.1 | Q309 K317 | Q309-K313 WeakPolarHBondContact O-CB 3.22Å; Q309-K313 WeakPolarHBondContact O-CG 3.38Å; Q309-K313 PolarHBondContact O-N 3.5Å; K313-K317 WeakPolarHBondContact O-CB 3.49Å; K313-K317 WeakPolarHBondContact O-CG 3.41Å; K313-K317 PolarHBondContact O-N 2.97Å; K313-K317 VanDerWaalsContact O-N 3.11Å |
| 314 | L | 88.4 | Confident | 89.4 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.6 | -32.2 | 178.2 | -158.8 | 144.3 | 0 | 0 | 0 | 111.2 | A310 R311 E312 K318 | A310-L314 VanDerWaalsContact O-CB 3.3Å; A310-L314 WeakPolarHBondContact O-CB 3.44Å; A310-L314 PolarHBondContact O-N 2.89Å; R311-L314 CarbonylContact O-C 3.59Å; R311-L314 PolarHBondContact O-N 3.33Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 2.83Å; L314-K318 WeakPolarHBondContact O-CB 3.19Å; L314-K318 PolarHBondContact O-N 3.35Å |
| 315 | A | 88.6 | Confident | 88.8 | Confident | 47 Ų | 47 | 107.7 Ų | 107.7 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R311 E312 K317 K318 E319 | R311-A315 WeakPolarHBondContact O-CB 3.32Å; R311-A315 PolarHBondContact O-N 3.47Å; E312-A315 WeakPolarHBondContact O-CB 3.25Å; E312-A315 PolarHBondContact O-N 2.82Å; E312-A315 VanDerWaalsContact O-N 3.16Å; A315-K317 VanDerWaalsContact C-N 3.33Å; A315-K317 PolarHBondContact O-N 2.91Å; A315-K318 CarbonylContact O-C 3.57Å; A315-K318 WeakPolarHBondContact O-CA 3.32Å; A315-K318 WeakPolarHBondContact O-CB 3.22Å; A315-K318 PolarHBondContact O-N 2.83Å; A315-E319 PolarHBondContact O-N 3.16Å |
| 316 | E | 88.7 | Confident | 88.3 | Confident | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -53.8 | -47.6 | 172.6 | -72.8 | 171.8 | 172 | 0 | 0 | 111.5 | E312 K318 E319 L320 | E312-E316 WeakPolarHBondContact O-CG 3.34Å; E312-E316 PolarHBondContact O-N 3.38Å; E316-K318 VanDerWaalsContact C-N 3.33Å; E316-K318 PolarHBondContact O-N 3.29Å; E316-E319 PolarHBondContact O-N 3.36Å; E316-L320 WeakPolarHBondContact O-CB 3.14Å; E316-L320 PolarHBondContact O-N 2.86Å |
| 317 | K | 89.6 | Confident | 87.8 | Confident | 145 Ų | 145 | 108.8 Ų | 108.8 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | 175.5 | -77.6 | 178.2 | 179.4 | -177.5 | 0 | 113 | K313 A315 L321 | K313-K317 WeakPolarHBondContact O-CB 3.49Å; K313-K317 WeakPolarHBondContact O-CG 3.41Å; K313-K317 PolarHBondContact O-N 2.97Å; K313-K317 VanDerWaalsContact O-N 3.11Å; A315-K317 VanDerWaalsContact C-N 3.33Å; A315-K317 PolarHBondContact O-N 2.91Å; K317-L321 WeakPolarHBondContact O-CB 3.34Å; K317-L321 VanDerWaalsContact O-CG 3.3Å; K317-L321 WeakPolarHBondContact O-CG 3.45Å; K317-L321 PolarHBondContact O-N 3.1Å |
| 318 | K | 87.1 | Confident | 87.2 | Confident | 130 Ų | 130 | 109.5 Ų | 109.5 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -46.8 | 176 | -177.7 | -161.8 | 168.2 | -162.1 | 0 | 110.5 | L314 A315 E316 L321 Q322 | L314-K318 WeakPolarHBondContact O-CB 3.19Å; L314-K318 PolarHBondContact O-N 3.35Å; A315-K318 CarbonylContact O-C 3.57Å; A315-K318 WeakPolarHBondContact O-CA 3.32Å; A315-K318 WeakPolarHBondContact O-CB 3.22Å; A315-K318 PolarHBondContact O-N 2.83Å; E316-K318 VanDerWaalsContact C-N 3.33Å; E316-K318 PolarHBondContact O-N 3.29Å; K318-L321 PolarHBondContact O-N 3.45Å; K318-Q322 VanDerWaalsContact O-CB 3.23Å; K318-Q322 WeakPolarHBondContact O-CB 3.39Å; K318-Q322 PolarHBondContact O-N 3.19Å |
| 319 | E | 87.4 | Confident | 86.4 | Confident | 133 Ų | 133 | 108 Ų | 108 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 177.2 | -71.9 | -175.2 | 166.4 | 0 | 0 | 110.9 | A315 E316 L321 Q322 E323 | A315-E319 PolarHBondContact O-N 3.16Å; E316-E319 PolarHBondContact O-N 3.36Å; E319-L321 PolarHBondContact O-N 2.84Å; E319-Q322 CarbonylContact O-C 3.57Å; E319-Q322 WeakPolarHBondContact O-CA 3.25Å; E319-Q322 PolarHBondContact O-N 3.37Å; E319-E323 WeakPolarHBondContact O-CG 3.34Å; E319-E323 PolarHBondContact O-N 2.84Å |
| 320 | L | 86.8 | Confident | 85.8 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 176.2 | -170.2 | 78.3 | 0 | 0 | 0 | 112.8 | E316 Q322 Q324 | E316-L320 WeakPolarHBondContact O-CB 3.14Å; E316-L320 PolarHBondContact O-N 2.86Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q324 VanDerWaalsContact O-CG 3.29Å; L320-Q324 WeakPolarHBondContact O-CG 3.3Å; L320-Q324 PolarHBondContact O-N 3.3Å |
| 321 | L | 85.5 | Confident | 85.4 | Confident | 109 Ų | 109 | 111 Ų | 111 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67 | -33.7 | 175.8 | -76.1 | 170.1 | 0 | 0 | 0 | 112 | K317 K318 E319 Q324 L325 | K317-L321 WeakPolarHBondContact O-CB 3.34Å; K317-L321 VanDerWaalsContact O-CG 3.3Å; K317-L321 WeakPolarHBondContact O-CG 3.45Å; K317-L321 PolarHBondContact O-N 3.1Å; K318-L321 PolarHBondContact O-N 3.45Å; E319-L321 PolarHBondContact O-N 2.84Å; L321-Q324 PolarHBondContact O-N 3.47Å; L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 2.79Å |
| 322 | Q | 84.1 | Confident | 84.5 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 178.9 | -167.3 | 159.3 | -24.8 | 0 | 0 | 111.3 | K318 E319 L320 Q324 L325 E326 | K318-Q322 VanDerWaalsContact O-CB 3.23Å; K318-Q322 WeakPolarHBondContact O-CB 3.39Å; K318-Q322 PolarHBondContact O-N 3.19Å; E319-Q322 CarbonylContact O-C 3.57Å; E319-Q322 WeakPolarHBondContact O-CA 3.25Å; E319-Q322 PolarHBondContact O-N 3.37Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; Q322-Q324 PolarHBondContact O-N 3.38Å; Q322-L325 WeakPolarHBondContact O-CB 3.49Å; Q322-L325 PolarHBondContact O-N 2.88Å; Q322-E326 WeakPolarHBondContact O-CG 3.42Å; Q322-E326 PolarHBondContact O-N 3.45Å |
| 323 | E | 84.2 | Confident | 83.7 | Confident | 122 Ų | 122 | 110.2 Ų | 110.2 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 168.7 | -72.6 | -173.8 | 156.7 | 0 | 0 | 112.2 | E319 L325 E326 Q327 | E319-E323 WeakPolarHBondContact O-CG 3.34Å; E319-E323 PolarHBondContact O-N 2.84Å; E323-L325 VanDerWaalsContact C-N 3.32Å; E323-L325 PolarHBondContact O-N 3.24Å; E323-E326 PolarHBondContact O-N 2.87Å; E323-Q327 WeakPolarHBondContact O-CB 3.29Å; E323-Q327 PolarHBondContact O-N 3.38Å |
| 324 | Q | 83.9 | Confident | 82.9 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174 | -74.5 | 174.9 | 18.5 | 0 | 0 | 111.9 | L320 L321 Q322 Q327 L328 | L320-Q324 VanDerWaalsContact O-CG 3.29Å; L320-Q324 WeakPolarHBondContact O-CG 3.3Å; L320-Q324 PolarHBondContact O-N 3.3Å; L321-Q324 PolarHBondContact O-N 3.47Å; Q322-Q324 PolarHBondContact O-N 3.38Å; Q324-Q327 WeakPolarHBondContact O-CB 3.41Å; Q324-Q327 PolarHBondContact O-N 3.2Å; Q324-L328 WeakPolarHBondContact O-CD1 3.47Å; Q324-L328 PolarHBondContact O-N 3.3Å |
| 325 | L | 80.4 | Confident | 82 | Confident | 103 Ų | 103 | 112.5 Ų | 112.5 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 177.7 | -142.4 | 162.9 | 0 | 0 | 0 | 111.1 | L321 Q322 E323 L328 Q329 | L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 2.79Å; Q322-L325 WeakPolarHBondContact O-CB 3.49Å; Q322-L325 PolarHBondContact O-N 2.88Å; E323-L325 VanDerWaalsContact C-N 3.32Å; E323-L325 PolarHBondContact O-N 3.24Å; L325-L328 PolarHBondContact O-N 2.92Å; L325-Q329 HydrophobicContact CD2-CG 4.23Å; L325-Q329 WeakPolarHBondContact O-CB 3.44Å; L325-Q329 WeakPolarHBondContact O-CG 3.48Å; L325-Q329 PolarHBondContact O-N 2.67Å |
| 326 | E | 83 | Confident | 81 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 172.1 | -72.7 | -177.4 | -168.8 | 0 | 0 | 112.7 | Q322 E323 Q329 R330 | Q322-E326 WeakPolarHBondContact O-CG 3.42Å; Q322-E326 PolarHBondContact O-N 3.45Å; E323-E326 PolarHBondContact O-N 2.87Å; E326-Q329 PolarHBondContact O-N 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.25Å; E326-R330 WeakPolarHBondContact O-CG 3.4Å; E326-R330 PolarHBondContact O-N 2.81Å; E326-R330 PolarHBondContact O-NE 2.82Å |
| 327 | Q | 82 | Confident | 79.9 | Confident | 84 Ų | 84 | 112.3 Ų | 112.3 | 39% | 0.393 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 173.3 | -178.9 | 71.6 | 26.9 | 0 | 0 | 110.4 | E323 Q324 Q329 R330 E331 | E323-Q327 WeakPolarHBondContact O-CB 3.29Å; E323-Q327 PolarHBondContact O-N 3.38Å; Q324-Q327 WeakPolarHBondContact O-CB 3.41Å; Q324-Q327 PolarHBondContact O-N 3.2Å; Q327-Q329 VanDerWaalsContact C-N 3.34Å; Q327-Q329 PolarHBondContact O-N 3.46Å; Q327-R330 PolarHBondContact O-N 2.97Å; Q327-E331 PolarHBondContact NE2-OE1 2.9Å; Q327-E331 WeakPolarHBondContact O-CG 3.36Å; Q327-E331 PolarHBondContact O-N 3.42Å |
| 328 | L | 81 | Confident | 78.3 | Confident | 115 Ų | 115 | 109.7 Ų | 109.7 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.5 | -40.4 | 174.4 | -101.7 | 69.1 | 0 | 0 | 0 | 112.2 | Q324 L325 E331 Y332 | Q324-L328 WeakPolarHBondContact O-CD1 3.47Å; Q324-L328 PolarHBondContact O-N 3.3Å; L325-L328 PolarHBondContact O-N 2.92Å; L328-E331 PolarHBondContact O-N 2.78Å; L328-Y332 VanDerWaalsContact O-CB 3.26Å; L328-Y332 WeakPolarHBondContact O-CB 3.32Å; L328-Y332 PolarHBondContact O-N 3.11Å |
| 329 | Q | 77 | Confident | 76.9 | Confident | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 174.8 | -80 | -177.6 | -18 | 0 | 0 | 112.3 | L325 E326 Q327 S333 | L325-Q329 HydrophobicContact CD2-CG 4.23Å; L325-Q329 WeakPolarHBondContact O-CB 3.44Å; L325-Q329 WeakPolarHBondContact O-CG 3.48Å; L325-Q329 PolarHBondContact O-N 2.67Å; E326-Q329 PolarHBondContact O-N 3.31Å; Q327-Q329 VanDerWaalsContact C-N 3.34Å; Q327-Q329 PolarHBondContact O-N 3.46Å; Q329-S333 VanDerWaalsContact O-CB 3.26Å; Q329-S333 WeakPolarHBondContact O-CB 3.34Å; Q329-S333 PolarHBondContact O-N 3.08Å; Q329-S333 PolarHBondContact O-OG 3.3Å |
| 330 | R | 80.1 | Confident | 75.3 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 46% | 0.457 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 174.7 | -78.3 | 179.9 | -92.9 | 113.4 | -5.4 | 111.6 | E326 Q327 K334 | E326-R330 WeakPolarHBondContact O-CB 3.25Å; E326-R330 WeakPolarHBondContact O-CG 3.4Å; E326-R330 PolarHBondContact O-N 2.81Å; E326-R330 PolarHBondContact O-NE 2.82Å; Q327-R330 PolarHBondContact O-N 2.97Å; R330-K334 PolarHBondContact O-N 2.9Å; R330-K334 VanDerWaalsContact O-N 3.08Å |
| 331 | E | 80.8 | Confident | 73.8 | Confident | 98 Ų | 98 | 111 Ų | 111 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.7 | -45.3 | 175.8 | -73.5 | 171.6 | -164.8 | 0 | 0 | 112.4 | Q327 L328 S333 K334 L335 | Q327-E331 PolarHBondContact NE2-OE1 2.9Å; Q327-E331 WeakPolarHBondContact O-CG 3.36Å; Q327-E331 PolarHBondContact O-N 3.42Å; L328-E331 PolarHBondContact O-N 2.78Å; E331-S333 VanDerWaalsContact C-N 3.3Å; E331-S333 PolarHBondContact O-N 3.47Å; E331-K334 WeakPolarHBondContact O-CB 3.43Å; E331-K334 PolarHBondContact O-N 3.34Å; E331-L335 PolarHBondContact O-N 2.89Å |
| 332 | Y | 73.4 | Confident | 72.1 | Confident | 162 Ų | 162 | 110.2 Ų | 110.2 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.7 | -41.2 | 172.9 | 179.4 | -106.6 | 0 | 0 | 0 | 111.9 | L328 L335 K336 | L328-Y332 VanDerWaalsContact O-CB 3.26Å; L328-Y332 WeakPolarHBondContact O-CB 3.32Å; L328-Y332 PolarHBondContact O-N 3.11Å; Y332-L335 PolarHBondContact O-N 3.49Å; Y332-K336 VanDerWaalsContact O-CB 3.28Å; Y332-K336 WeakPolarHBondContact O-CB 3.35Å; Y332-K336 PolarHBondContact O-N 3.41Å |
| 333 | S | 72.8 | Confident | 70.6 | Confident | 73 Ų | 73 | 109.6 Ų | 109.6 | 51% | 0.51 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | Q329 E331 A337 | Q329-S333 VanDerWaalsContact O-CB 3.26Å; Q329-S333 WeakPolarHBondContact O-CB 3.34Å; Q329-S333 PolarHBondContact O-N 3.08Å; Q329-S333 PolarHBondContact O-OG 3.3Å; E331-S333 VanDerWaalsContact C-N 3.3Å; E331-S333 PolarHBondContact O-N 3.47Å; S333-A337 PolarHBondContact O-N 2.92Å |
| 334 | K | 75.7 | Confident | 69.3 | Low | 164 Ų | 164 | 114.8 Ų | 114.8 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64 | -48 | 172.8 | -79.9 | -179.1 | 175.2 | 179.7 | 0 | 112.2 | R330 E331 K336 A337 S338 | R330-K334 PolarHBondContact O-N 2.9Å; R330-K334 VanDerWaalsContact O-N 3.08Å; E331-K334 WeakPolarHBondContact O-CB 3.43Å; E331-K334 PolarHBondContact O-N 3.34Å; K334-K336 VanDerWaalsContact C-N 3.32Å; K334-K336 PolarHBondContact O-N 2.88Å; K334-A337 PolarHBondContact O-N 3.4Å; K334-S338 PolarHBondContact O-N 2.83Å |
| 335 | L | 69.4 | Low | 67.7 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.3 | -42.8 | 178.7 | -116.3 | 70.6 | 0 | 0 | 0 | 111.6 | E331 Y332 A337 S338 C339 | E331-L335 PolarHBondContact O-N 2.89Å; Y332-L335 PolarHBondContact O-N 3.49Å; L335-A337 PolarHBondContact O-N 3.35Å; L335-S338 WeakPolarHBondContact O-CB 3.28Å; L335-S338 PolarHBondContact O-N 3.26Å; L335-C339 PolarHBondContact O-N 3.47Å; L335-C339 VanDerWaalsContact O-N 3.11Å |
| 336 | K | 68.9 | Low | 66 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 50% | 0.5 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.3 | -40.7 | 178.8 | -173 | 176.8 | -179.8 | -177.1 | 0 | 112.6 | Y332 K334 C339 Q340 | Y332-K336 VanDerWaalsContact O-CB 3.28Å; Y332-K336 WeakPolarHBondContact O-CB 3.35Å; Y332-K336 PolarHBondContact O-N 3.41Å; K334-K336 VanDerWaalsContact C-N 3.32Å; K334-K336 PolarHBondContact O-N 2.88Å; K336-C339 PolarHBondContact O-N 2.84Å; K336-Q340 PolarHBondContact O-N 3.42Å |
| 337 | A | 64.3 | Low | 64.3 | Low | 56 Ų | 56 | 124.3 Ų | 124.3 | 46% | 0.463 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.9 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S333 K334 L335 C339 Q340 E341 | S333-A337 PolarHBondContact O-N 2.92Å; K334-A337 PolarHBondContact O-N 3.4Å; L335-A337 PolarHBondContact O-N 3.35Å; A337-C339 VanDerWaalsContact C-N 3.32Å; A337-C339 PolarHBondContact O-N 3.36Å; A337-Q340 PolarHBondContact O-N 2.82Å; A337-Q340 VanDerWaalsContact O-N 3.16Å; A337-E341 PolarHBondContact O-N 2.94Å |
| 338 | S | 57.5 | Low | 62.3 | Low | 89 Ų | 89 | 128.6 Ų | 128.6 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.4 | -33.7 | 179.1 | -165.7 | 0 | 0 | 0 | 0 | 113.8 | K334 L335 | K334-S338 PolarHBondContact O-N 2.83Å; L335-S338 WeakPolarHBondContact O-CB 3.28Å; L335-S338 PolarHBondContact O-N 3.26Å |
| 339 | C | 56.6 | Low | 60.3 | Low | 95 Ų | 95 | 134 Ų | 134 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.8 | -30.7 | 175.6 | -94.9 | 0 | 0 | 0 | 0 | 113.4 | L335 K336 A337 S342 | L335-C339 PolarHBondContact O-N 3.47Å; L335-C339 VanDerWaalsContact O-N 3.11Å; K336-C339 PolarHBondContact O-N 2.84Å; A337-C339 VanDerWaalsContact C-N 3.32Å; A337-C339 PolarHBondContact O-N 3.36Å; C339-S342 PolarHBondContact O-N 3.11Å |
| 340 | Q | 54.3 | Low | 58.6 | Low | 129 Ų | 129 | 138 Ų | 138 | 60% | 0.603 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.8 | -29.3 | -176.5 | -72.5 | -176.1 | -33.4 | 0 | 0 | 112.9 | K336 A337 S342 | K336-Q340 PolarHBondContact O-N 3.42Å; A337-Q340 PolarHBondContact O-N 2.82Å; A337-Q340 VanDerWaalsContact O-N 3.16Å; Q340-S342 VanDerWaalsContact C-N 3.34Å |
| 341 | E | 54 | Low | 56.6 | Low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -65.5 | -38 | 173.4 | -146.5 | 68.9 | -149.7 | 0 | 0 | 111.5 | A337 A343 | A337-E341 PolarHBondContact O-N 2.94Å; E341-A343 VanDerWaalsContact C-N 3.29Å; E341-A343 PolarHBondContact O-N 2.85Å |
| 342 | S | 51.8 | Low | 54.5 | Low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.6 | -18.3 | -177.6 | -165.9 | 0 | 0 | 0 | 0 | 114.3 | C339 Q340 | C339-S342 PolarHBondContact O-N 3.11Å; Q340-S342 VanDerWaalsContact C-N 3.34Å |
| 343 | A | 52.4 | Low | 52.5 | Low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 0.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E341 | E341-A343 VanDerWaalsContact C-N 3.29Å; E341-A343 PolarHBondContact O-N 2.85Å |
| 344 | R | 55.1 | Low | 50.6 | Low | 232 Ų | 232 | 147.7 Ų | 147.7 | 88% | 0.875 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -105.1 | -6.4 | -172.4 | -81.5 | -175.4 | 171 | 171.1 | -1.3 | 116.4 | ||
| 345 | I | 50.8 | Low | 48.3 | Very low | 162 Ų | 162 | 146 Ų | 146 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -101.7 | -14.6 | -170.9 | -72.7 | 177.4 | 0 | 0 | 0 | 113.9 | ||
| 346 | E | 45.7 | Very low | 46.3 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -109.4 | 3.6 | -158 | -147.2 | 168.2 | -159.4 | 0 | 0 | 117.9 | ||
| 347 | D | 45.8 | Very low | 44.3 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | -120.3 | 80.5 | -177.5 | -159.2 | 10.2 | 0 | 0 | 0 | 115 | ||||
| 348 | M | 41.4 | Very low | 42.8 | Very low | 175 Ų | 175 | 149 Ų | 149 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -143.8 | 15.6 | 171.8 | -110 | -69.6 | -78.4 | 0 | 0 | 114 | ||
| 349 | R | 38.8 | Very low | 42.6 | Very low | 228 Ų | 228 | 150 Ų | 150 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -147.5 | 107 | -177.9 | -69 | -169.9 | 171.7 | 175.2 | -2.2 | 115.7 | ||
| 350 | K | 42.1 | Very low | 41.9 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 88.6 | 116.4 | 166.7 | -52.6 | 167.8 | 179.8 | 178.7 | 0 | 114.4 | ||||
| 351 | R | 37.6 | Very low | 42.1 | Very low | 223 Ų | 223 | 152.8 Ų | 152.8 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | cis | 87.1 | 97.8 | 32.9 | -64.2 | -159.1 | -148.4 | 162.4 | 5.7 | 117.6 | ||||
| 352 | H | 35.6 | Very low | 42.2 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | 143.9 | 148.4 | 112.7 | -88.3 | 138.9 | 0 | 0 | 0 | 117 | |||||
| 353 | V | 31.6 | Very low | 41.9 | Very low | 119 Ų | 119 | 151 Ų | 151 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | 70.6 | 115.3 | 173.2 | -162.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 354 | E | 33.5 | Very low | 41.9 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | cis | 82.6 | 142.2 | 44.5 | -60.8 | 160 | 81.8 | 0 | 0 | 113.2 | ||||
| 355 | V | 26.9 | Very low | 41 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | cis | -159.3 | 152 | -1.1 | 106.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 356 | S | 27.3 | Very low | 40 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | 164 | 148.4 | 94.7 | -149.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 357 | Q | 27.8 | Very low | 39.4 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 28.9 | 125 | 146 | -64 | 177.8 | -5.9 | 0 | 0 | 127 | ||||
| 358 | A | 31.4 | Very low | 38.5 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | 53.1 | 177.8 | 115.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 359 | P | 53.7 | Low | 38.2 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | -139.2 | 157 | -65.9 | 40.9 | -24.4 | 0 | 0 | 0 | 118.8 | |||||
| 360 | L | 42.7 | Very low | 38.5 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 58 | -173.3 | 152.1 | -59.1 | 173.1 | 0 | 0 | 0 | 120.8 | ||||
| 361 | P | 59 | Low | 38 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -117.1 | -146.3 | -95.1 | 42.3 | -24 | 0 | 0 | 0 | 113 | |||||
| 362 | P | 55.8 | Low | 37.8 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -116.8 | -156.2 | -46 | 33.9 | -12.5 | 0 | 0 | 0 | 114 | ||||
| 363 | A | 44.6 | Very low | 37.7 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -79.8 | -174.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 364 | P | 52.6 | Low | 38.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | cis | -140.5 | -174.8 | -0.5 | 44.9 | -25.6 | 0 | 0 | 0 | 117.9 | ||||
| 365 | A | 35.8 | Very low | 38.1 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | 69.4 | 131.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 126 | ||||
| 366 | Y | 29.7 | Very low | 38.4 | Very low | 215 Ų | 215 | 125.7 Ų | 125.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 70.4 | 124.6 | 148.7 | -74.2 | -60.3 | 0 | 0 | 0 | 126.2 | ||||
| 367 | L | 33.4 | Very low | 38.5 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 84.8 | 139.8 | 135.7 | -70.4 | 169.4 | 0 | 0 | 0 | 125.8 | ||||
| 368 | S | 27.8 | Very low | 38.8 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 97.2 | 119 | 165.5 | -44.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 369 | S | 34.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | 69.6 | 145.7 | 56.3 | -69.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 370 | P | 45.7 | Very low | 38.7 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | cis | -152.4 | 178.5 | 31.9 | 44.9 | -24.2 | 0 | 0 | 0 | 120.8 | ||||
| 371 | L | 32.2 | Very low | 38.5 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | 82.4 | 151.6 | 138.6 | -85.2 | 161.9 | 0 | 0 | 0 | 126 | ||||
| 372 | A | 31.8 | Very low | 37.9 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 74.8 | 104.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 373 | L | 33.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | cis | 62.3 | 149.7 | 46.9 | -102.7 | 97.1 | 0 | 0 | 0 | 114.7 | ||||
| 374 | P | 45.7 | Very low | 37.2 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | cis | -139.5 | -179.8 | 17.5 | 42.4 | -24.4 | 0 | 0 | 0 | 118.2 | ||||
| 375 | S | 29.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 75.5 | 135.1 | 146.5 | -92.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 376 | Q | 32.3 | Very low | 37.9 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 64% | 0.64 | 74% | 0.735 | S | S | * | * | cis | -145.2 | 146.5 | 1.1 | -75.2 | -165.6 | 42.2 | 0 | 0 | 111.8 | ||||
| 377 | R | 30.3 | Very low | 39.6 | Very low | 186 Ų | 186 | 128 Ų | 128 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | trans | 50.2 | 145.5 | 138.2 | -64.2 | -169.5 | -126 | -123.9 | 1.3 | 120.1 | ||||
| 378 | R | 32.4 | Very low | 41.4 | Very low | 211 Ų | 211 | 123.1 Ų | 123.1 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | cis | -153.2 | 149.5 | 1 | -138.9 | -177.7 | -77.8 | -155.3 | -1.6 | 108.9 | ||||
| 379 | S | 27.8 | Very low | 43.6 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | trans | -92.3 | -163.5 | 162.6 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 380 | P | 56.3 | Low | 45.3 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | -93.2 | -175 | -107.8 | 44.5 | -30.1 | 0 | 0 | 0 | 112.4 | |||||
| 381 | P | 38.8 | Very low | 46.6 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | -131.8 | -176.5 | 67.7 | 41.1 | -23.7 | 0 | 0 | 0 | 111 | |||||
| 382 | E | 45.3 | Very low | 48.7 | Very low | 189 Ų | 189 | 114.9 Ų | 114.9 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | cis | 55.3 | 72.3 | 44.6 | -149.8 | 178.9 | -174.2 | 0 | 0 | 115.1 | ||||
| 383 | E | 36.3 | Very low | 50.5 | Low | 178 Ų | 178 | 119 Ų | 119 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | -165.1 | 158.8 | 158.2 | -112.7 | 165.9 | 169 | 0 | 0 | 112.1 | ||||
| 384 | P | 49.1 | Very low | 52.4 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | trans | -105 | -142.7 | -169.5 | 47 | -37.8 | 0 | 0 | 0 | 112.4 | ||||
| 385 | P | 54.6 | Low | 53.5 | Low | 48 Ų | 48 | 117.9 Ų | 117.9 | 31% | 0.312 | 61% | 0.609 | S | S | . | * | trans | -105.1 | 171.2 | -141.3 | 39.4 | -23.3 | 0 | 0 | 0 | 116.1 | F387 P397 | P385-F387 HydrophobicContact CB-CD2 3.79Å; P385-F387 HydrophobicContact CB-CE2 3.98Å; P385-F387 HydrophobicContact CG-CD2 3.64Å; P385-F387 HydrophobicContact CG-CE2 4.09Å; P385-P397 VanDerWaalsContact CG-O 3.23Å; P385-P397 WeakPolarHBondContact CG-O 3.4Å | ||
| 386 | D | 49.8 | Very low | 55.3 | Low | 125 Ų | 125 | 113.1 Ų | 113.1 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | trans | -103.4 | 76.5 | 163.4 | -91.3 | -36.4 | 0 | 0 | 0 | 111.2 | Q395 | D386-Q395 PolarHBondContact OD1-NE2 2.83Š| ||
| 387 | F | 64.8 | Low | 57.3 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 32% | 0.32 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 86.3 | 163.4 | -74.3 | -62 | 0 | 0 | 0 | 109 | P385 A396 M399 L402 | P385-F387 HydrophobicContact CB-CD2 3.79Å; P385-F387 HydrophobicContact CB-CE2 3.98Å; P385-F387 HydrophobicContact CG-CD2 3.64Å; P385-F387 HydrophobicContact CG-CE2 4.09Å; F387-A396 HydrophobicContact CB-CB 4.23Å; F387-A396 PolarHBondContact O-N 2.82Å; F387-M399 HydrophobicContact CE1-CB 4.11Å; F387-M399 HydrophobicContact CE1-CG 3.98Å; F387-M399 HydrophobicContact CE2-CB 4.18Å; F387-M399 HydrophobicContact CZ-CB 3.87Å; F387-M399 HydrophobicContact CZ-CG 4.16Å; F387-L402 HydrophobicContact CB-CB 4.11Å; F387-L402 HydrophobicContact CB-CD2 3.89Å; F387-L402 HydrophobicContact CB-CG 4.45Å; F387-L402 HydrophobicContact CD1-CD2 3.98Å; F387-L402 HydrophobicContact CG-CD2 4.35Å |
| 388 | C | 70.6 | Confident | 59.4 | Low | 54 Ų | 54 | 104.7 Ų | 104.7 | 37% | 0.365 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.8 | -172.5 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | P390 Y394 Q395 | C388-P390 WeakPolarHBondContact O-CD 3.2Å; C388-Y394 WeakPolarHBondContact CA-O 3.27Å; C388-Q395 WeakPolarHBondContact SG-CG 3.47Å |
| 389 | C | 75.2 | Confident | 61.4 | Low | 6 Ų | 6 | 98.8 Ų | 98.8 | 4% | 0.041 | 54% | 0.537 | C | S | . | . | trans | -75 | 119.8 | 172.3 | 180 | 0 | 0 | 0 | 0 | 111 | K391 C392 Q393 Y394 L402 H405 | C389-K391 PolarHBondContact O-N 3.49Å; C389-K391 VanDerWaalsContact O-N 3.15Å; C389-C392 PolarHBondContact O-N 3.46Å; C389-C392 VanDerWaalsContact SG-SG 3.68Å; C389-Q393 WeakPolarHBondContact O-CA 3.18Å; C389-Q393 PolarHBondContact O-N 2.79Å; C389-Y394 PolarHBondContact N-O 3.12Å; C389-L402 HydrophobicContact CB-CD1 4.21Å; C389-H405 VanDerWaalsContact CB-CD2 3.48Å; C389-H405 WeakPolarHBondContact CB-CD2 3.38Å; C389-H405 WeakPolarHBondContact CB-NE2 3.44Å | ||
| 390 | P | 69.4 | Low | 63.8 | Low | 127 Ų | 127 | 98.9 Ų | 98.9 | 83% | 0.825 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -12.4 | -171.5 | 27.4 | -35.4 | 0 | 0 | 0 | 114.8 | C388 | C388-P390 WeakPolarHBondContact O-CD 3.2Š|
| 391 | K | 72.3 | Confident | 64.7 | Low | 125 Ų | 125 | 96 Ų | 96 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -34.1 | -179.5 | -152.7 | -170.2 | -168 | -178.6 | 0 | 112.8 | C389 C409 I410 E411 | C389-K391 PolarHBondContact O-N 3.49Å; C389-K391 VanDerWaalsContact O-N 3.15Å; K391-C409 WeakPolarHBondContact CD-O 3.41Å; K391-C409 WeakPolarHBondContact CE-O 3.46Å; K391-C409 PolarHBondContact NZ-O 2.58Å; K391-I410 PolarHBondContact NZ-O 3.17Å; K391-E411 PolarHBondContact NZ-O 3.38Å |
| 392 | C | 77 | Confident | 66.7 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | -5.1 | -170.5 | 66.4 | 0 | 0 | 0 | 0 | 114.8 | C389 Y394 H405 C409 | C389-C392 PolarHBondContact O-N 3.46Å; C389-C392 VanDerWaalsContact SG-SG 3.68Å; C392-Y394 VanDerWaalsContact C-N 3.25Å; C392-Y394 PolarHBondContact O-N 2.93Å; C392-H405 PolarHBondContact SG-NE2 3.17Å; C392-C409 VanDerWaalsContact SG-SG 3.69Å |
| 393 | Q | 69.8 | Low | 68 | Low | 174 Ų | 174 | 89.5 Ų | 89.5 | 81% | 0.813 | 47% | 0.471 | S | S | * | . | trans | 62 | 23.9 | -179.4 | -54.6 | 179 | 17.2 | 0 | 0 | 115 | C389 | C389-Q393 WeakPolarHBondContact O-CA 3.18Å; C389-Q393 PolarHBondContact O-N 2.79Å | ||
| 394 | Y | 72.4 | Confident | 69.9 | Low | 123 Ų | 123 | 86.2 Ų | 86.2 | 48% | 0.482 | 46% | 0.458 | S | S | . | . | trans | -70.6 | 129.9 | 170.4 | -178.9 | -105.5 | 0 | 0 | 0 | 111.2 | C388 C389 C392 H405 | C388-Y394 WeakPolarHBondContact CA-O 3.27Å; C389-Y394 PolarHBondContact N-O 3.12Å; C392-Y394 VanDerWaalsContact C-N 3.25Å; C392-Y394 PolarHBondContact O-N 2.93Å; Y394-H405 AromaticContact CD1-CE1 3.76Å; Y394-H405 AromaticContact CD1-CG 3.94Å; Y394-H405 AromaticContact CD1-ND1 3.74Å; Y394-H405 AromaticContact CD1-NE2 3.99Å; Y394-H405 AromaticContact CG-CE1 3.97Å | ||
| 395 | Q | 69.9 | Low | 71.4 | Confident | 121 Ų | 121 | 82.9 Ų | 82.9 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.7 | 175.3 | -92.6 | 175.2 | -29 | 0 | 0 | 110.9 | D386 C388 | D386-Q395 PolarHBondContact OD1-NE2 2.83Å; C388-Q395 WeakPolarHBondContact SG-CG 3.47Å |
| 396 | A | 68.1 | Low | 72.4 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 3% | 0.025 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 145.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F387 D398 T401 L402 | F387-A396 HydrophobicContact CB-CB 4.23Å; F387-A396 PolarHBondContact O-N 2.82Å; A396-D398 VanDerWaalsContact C-N 3.33Å; A396-D398 PolarHBondContact O-N 3.25Å; A396-T401 HydrophobicContact CB-CG2 4.14Å; A396-L402 HydrophobicContact CB-CB 3.99Å |
| 397 | P | 72.3 | Confident | 73.4 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -78.6 | -12.1 | -177.2 | 31.9 | -35.9 | 0 | 0 | 0 | 114.4 | P385 | P385-P397 VanDerWaalsContact CG-O 3.23Å; P385-P397 WeakPolarHBondContact CG-O 3.4Å |
| 398 | D | 74.6 | Confident | 73.6 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 33% | 0.332 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -157 | 170.7 | -179.7 | 67.9 | 81 | 0 | 0 | 0 | 111.3 | A396 D400 T401 L402 | A396-D398 VanDerWaalsContact C-N 3.33Å; A396-D398 PolarHBondContact O-N 3.25Å; D398-D400 PolarHBondContact OD1-N 3.1Å; D398-T401 VanDerWaalsContact CG-OG1 3.29Å; D398-T401 PolarHBondContact OD1-N 2.89Å; D398-T401 PolarHBondContact OD1-OG1 2.86Å; D398-T401 WeakPolarHBondContact OD2-CB 3.25Å; D398-T401 PolarHBondContact OD2-OG1 3.45Å; D398-L402 PolarHBondContact O-N 3.26Å |
| 399 | M | 74.8 | Confident | 73.7 | Confident | 88 Ų | 88 | 87 Ų | 87 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -72.7 | -38.2 | -172.1 | -161.5 | -71.1 | -46.1 | 0 | 0 | 112.9 | F387 L402 Q403 | F387-M399 HydrophobicContact CE1-CB 4.11Å; F387-M399 HydrophobicContact CE1-CG 3.98Å; F387-M399 HydrophobicContact CE2-CB 4.18Å; F387-M399 HydrophobicContact CZ-CB 3.87Å; F387-M399 HydrophobicContact CZ-CG 4.16Å; M399-L402 PolarHBondContact O-N 3.12Å; M399-Q403 PolarHBondContact O-N 3.14Å |
| 400 | D | 78 | Confident | 73.2 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | -179.1 | -70.9 | -22.3 | 0 | 0 | 0 | 110.3 | D398 L402 Q403 I404 | D398-D400 PolarHBondContact OD1-N 3.1Å; D400-L402 VanDerWaalsContact C-N 3.33Å; D400-L402 PolarHBondContact O-N 2.88Å; D400-Q403 PolarHBondContact O-N 3.45Å; D400-Q403 VanDerWaalsContact O-N 3.11Å; D400-I404 WeakPolarHBondContact O-CG1 3.48Å; D400-I404 PolarHBondContact O-N 2.92Å |
| 401 | T | 76.6 | Confident | 72.5 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 174.1 | -59.8 | 0 | 0 | 0 | 0 | 112 | A396 D398 H405 | A396-T401 HydrophobicContact CB-CG2 4.14Å; D398-T401 VanDerWaalsContact CG-OG1 3.29Å; D398-T401 PolarHBondContact OD1-N 2.89Å; D398-T401 PolarHBondContact OD1-OG1 2.86Å; D398-T401 WeakPolarHBondContact OD2-CB 3.25Å; D398-T401 PolarHBondContact OD2-OG1 3.45Å; T401-H405 PolarHBondContact O-N 3.43Å |
| 402 | L | 79.6 | Confident | 72.5 | Confident | 31 Ų | 31 | 96.4 Ų | 96.4 | 16% | 0.162 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 171.3 | 179.7 | 66.8 | 0 | 0 | 0 | 111.5 | F387 C389 A396 D398 M399 D400 I404 H405 V406 | F387-L402 HydrophobicContact CB-CB 4.11Å; F387-L402 HydrophobicContact CB-CD2 3.89Å; F387-L402 HydrophobicContact CB-CG 4.45Å; F387-L402 HydrophobicContact CD1-CD2 3.98Å; F387-L402 HydrophobicContact CG-CD2 4.35Å; C389-L402 HydrophobicContact CB-CD1 4.21Å; A396-L402 HydrophobicContact CB-CB 3.99Å; D398-L402 PolarHBondContact O-N 3.26Å; M399-L402 PolarHBondContact O-N 3.12Å; D400-L402 VanDerWaalsContact C-N 3.33Å; D400-L402 PolarHBondContact O-N 2.88Å; L402-I404 VanDerWaalsContact C-N 3.34Å; L402-I404 PolarHBondContact O-N 3.34Å; L402-H405 PolarHBondContact O-N 3.06Å; L402-V406 HydrophobicContact CD1-CG2 3.94Å; L402-V406 HydrophobicContact CG-CG2 4.09Å; L402-V406 WeakPolarHBondContact O-CB 3.31Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.36Å; L402-V406 PolarHBondContact O-N 3.07Å |
| 403 | Q | 73.5 | Confident | 72.3 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | -175.3 | -160.8 | 169.7 | 8.9 | 0 | 0 | 112.5 | M399 D400 M407 | M399-Q403 PolarHBondContact O-N 3.14Å; D400-Q403 PolarHBondContact O-N 3.45Å; D400-Q403 VanDerWaalsContact O-N 3.11Å; Q403-M407 PolarHBondContact O-N 3.18Å |
| 404 | I | 76.4 | Confident | 72.4 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 55% | 0.554 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.7 | -48.5 | 171.6 | -63.3 | 165.4 | 0 | 0 | 0 | 110.6 | D400 L402 V406 M407 E408 | D400-I404 WeakPolarHBondContact O-CG1 3.48Å; D400-I404 PolarHBondContact O-N 2.92Å; L402-I404 VanDerWaalsContact C-N 3.34Å; L402-I404 PolarHBondContact O-N 3.34Å; I404-V406 PolarHBondContact O-N 2.95Å; I404-M407 VanDerWaalsContact O-CB 3.27Å; I404-M407 WeakPolarHBondContact O-CB 3.49Å; I404-M407 PolarHBondContact O-N 3.45Å; I404-E408 PolarHBondContact O-N 3.41Å |
| 405 | H | 80.4 | Confident | 72.4 | Confident | 44 Ų | 44 | 92.1 Ų | 92.1 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | -179.4 | 174 | 85.2 | 0 | 0 | 0 | 113 | C389 C392 Y394 T401 L402 M407 E408 C409 | C389-H405 VanDerWaalsContact CB-CD2 3.48Å; C389-H405 WeakPolarHBondContact CB-CD2 3.38Å; C389-H405 WeakPolarHBondContact CB-NE2 3.44Å; C392-H405 PolarHBondContact SG-NE2 3.17Å; Y394-H405 AromaticContact CD1-CE1 3.76Å; Y394-H405 AromaticContact CD1-CG 3.94Å; Y394-H405 AromaticContact CD1-ND1 3.74Å; Y394-H405 AromaticContact CD1-NE2 3.99Å; Y394-H405 AromaticContact CG-CE1 3.97Å; T401-H405 PolarHBondContact O-N 3.43Å; L402-H405 PolarHBondContact O-N 3.06Å; H405-M407 PolarHBondContact O-N 2.97Å; H405-E408 PolarHBondContact O-N 3.01Å; H405-C409 VanDerWaalsContact O-CB 3.24Å; H405-C409 WeakPolarHBondContact O-CB 3.31Å; H405-C409 PolarHBondContact O-N 3.43Å |
| 406 | V | 74.9 | Confident | 72.6 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 175.7 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | L402 I404 I410 | L402-V406 HydrophobicContact CD1-CG2 3.94Å; L402-V406 HydrophobicContact CG-CG2 4.09Å; L402-V406 WeakPolarHBondContact O-CB 3.31Å; L402-V406 VanDerWaalsContact O-CG2 3.29Å; L402-V406 WeakPolarHBondContact O-CG2 3.36Å; L402-V406 PolarHBondContact O-N 3.07Å; I404-V406 PolarHBondContact O-N 2.95Å; V406-I410 HydrophobicContact CG1-CD1 3.57Å; V406-I410 HydrophobicContact CG1-CG1 4.35Å; V406-I410 WeakPolarHBondContact O-CB 3.48Å; V406-I410 VanDerWaalsContact O-CG1 3.32Å; V406-I410 WeakPolarHBondContact O-CG1 3.31Å; V406-I410 PolarHBondContact O-N 3.46Å |
| 407 | M | 70 | Confident | 72.9 | Confident | 158 Ų | 158 | 96.1 Ų | 96.1 | 78% | 0.778 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.9 | -27.4 | 178.7 | -138.1 | 166.8 | 64.4 | 0 | 0 | 113.3 | Q403 I404 H405 | Q403-M407 PolarHBondContact O-N 3.18Å; I404-M407 VanDerWaalsContact O-CB 3.27Å; I404-M407 WeakPolarHBondContact O-CB 3.49Å; I404-M407 PolarHBondContact O-N 3.45Å; H405-M407 PolarHBondContact O-N 2.97Å |
| 408 | E | 68.9 | Low | 72.9 | Confident | 156 Ų | 156 | 97 Ų | 97 | 73% | 0.729 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -94.8 | -25.8 | 174.2 | -65 | -176 | 165.1 | 0 | 0 | 112.9 | I404 H405 I410 | I404-E408 PolarHBondContact O-N 3.41Å; H405-E408 PolarHBondContact O-N 3.01Å; E408-I410 VanDerWaalsContact C-N 3.35Å; E408-I410 PolarHBondContact O-N 3.48Å |
| 409 | C | 74 | Confident | 72.8 | Confident | 27 Ų | 27 | 99.7 Ų | 99.7 | 18% | 0.182 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -83.3 | -6.5 | -176.3 | -158.7 | 0 | 0 | 0 | 0 | 113.8 | K391 C392 H405 | K391-C409 WeakPolarHBondContact CD-O 3.41Å; K391-C409 WeakPolarHBondContact CE-O 3.46Å; K391-C409 PolarHBondContact NZ-O 2.58Å; C392-C409 VanDerWaalsContact SG-SG 3.69Å; H405-C409 VanDerWaalsContact O-CB 3.24Å; H405-C409 WeakPolarHBondContact O-CB 3.31Å; H405-C409 PolarHBondContact O-N 3.43Å |
| 410 | I | 63.9 | Low | 72.6 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -12.8 | -174.3 | -80.6 | 179.5 | 0 | 0 | 0 | 114.9 | K391 V406 E408 | K391-I410 PolarHBondContact NZ-O 3.17Å; V406-I410 HydrophobicContact CG1-CD1 3.57Å; V406-I410 HydrophobicContact CG1-CG1 4.35Å; V406-I410 WeakPolarHBondContact O-CB 3.48Å; V406-I410 VanDerWaalsContact O-CG1 3.32Å; V406-I410 WeakPolarHBondContact O-CG1 3.31Å; V406-I410 PolarHBondContact O-N 3.46Å; E408-I410 VanDerWaalsContact C-N 3.35Å; E408-I410 PolarHBondContact O-N 3.48Å |
| 411 | E | 54.8 | Low | 72.1 | Confident | 238 Ų | 238 | 100.4 Ų | 100.4 | 100% | 1.112 | 50% | 0.501 | S | S | * | . | trans | -59.6 | 0 | 166.3 | -64.7 | -164.2 | 163 | 0 | 0 | 112.8 | K391 | K391-E411 PolarHBondContact NZ-O 3.38Š|
Retrieved 411 of 411 residues in 752.3 ms
(Link to these results)