| 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 | 51.6 | Low | 59.6 | Low | 240 Ų | 240 | 143.5 Ų | 143.5 | 100% | 1.182 | 77% | 0.774 | S | S | * | * | 0 | 89.2 | 0 | -59.8 | -174.6 | -163.8 | 0 | 0 | 107.8 | |||||
| 2 | Y | 54.7 | Low | 59.2 | Low | 221 Ų | 221 | 144 Ų | 144 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -150.6 | 68.2 | 178.3 | -132.8 | -91.5 | 0 | 0 | 0 | 108.1 | ||||
| 3 | S | 57.1 | Low | 59.1 | Low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 111.3 | 172 | 44.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 4 | G | 59.8 | Low | 59.2 | Low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 170 | 17.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 5 | L | 60.5 | Low | 58.4 | Low | 157 Ų | 157 | 145.3 Ų | 145.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -113.2 | 13.4 | 177.8 | -82.5 | 163 | 0 | 0 | 0 | 113.8 | ||||
| 6 | L | 65.7 | Low | 57.9 | Low | 104 Ų | 104 | 143 Ų | 143 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -95.4 | 133.8 | 175.3 | -79.1 | 155 | 0 | 0 | 0 | 111.1 | L10 | L6-L10 HydrophobicContact CD2-CB 4.47Š|
| 7 | P | 69.1 | Low | 57.2 | Low | 89 Ų | 89 | 140.8 Ų | 140.8 | 58% | 0.578 | 77% | 0.768 | S | S | * | * | trans | -53.8 | 146.6 | 167.5 | -23.9 | 34.3 | 0 | 0 | 0 | 111.2 | D9 L10 | P7-D9 PolarHBondContact O-N 2.7Å; P7-L10 PolarHBondContact O-N 2.75Å | ||
| 8 | K | 65 | Low | 56.1 | Low | 209 Ų | 209 | 142.2 Ų | 142.2 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -0.2 | -168.1 | -77.9 | 171.7 | 175.3 | 176.7 | 0 | 116.7 | ||
| 9 | D | 59 | Low | 55.4 | Low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 10.4 | -172.8 | -51.4 | -38.9 | 0 | 0 | 0 | 113.1 | P7 | P7-D9 PolarHBondContact O-N 2.7Š|
| 10 | L | 53.4 | Low | 54.7 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 60% | 0.602 | 77% | 0.774 | S | S | * | * | trans | -121.2 | 103.6 | 175.7 | -92 | 135.6 | 0 | 0 | 0 | 110 | L6 P7 | L6-L10 HydrophobicContact CD2-CB 4.47Å; P7-L10 PolarHBondContact O-N 2.75Å | ||
| 11 | T | 59.2 | Low | 53.8 | Low | 104 Ų | 104 | 146.5 Ų | 146.5 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | trans | -87.8 | 144.5 | 170.7 | 35.8 | 0 | 0 | 0 | 0 | 110.8 | D13 | T11-D13 PolarHBondContact O-N 2.6Å; T11-D13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | E | 55.4 | Low | 53.2 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -71.9 | -0.9 | -171.4 | -46.6 | -168.4 | -171 | 0 | 0 | 113.7 | ||
| 13 | D | 58.4 | Low | 52.1 | Low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -89.8 | -1.1 | -178.2 | -60.5 | -48 | 0 | 0 | 0 | 114.2 | T11 | T11-D13 PolarHBondContact O-N 2.6Å; T11-D13 VanDerWaalsContact O-N 3.08Å |
| 14 | D | 59.2 | Low | 51 | Low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -98.7 | 10.8 | -177.6 | -128.9 | 10.5 | 0 | 0 | 0 | 113.6 | ||
| 15 | L | 48.5 | Very low | 50.3 | Low | 156 Ų | 156 | 145.3 Ų | 145.3 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -108.2 | 72.8 | 173.2 | -62.4 | 179.6 | 0 | 0 | 0 | 109.7 | P17 | L15-P17 WeakPolarHBondContact O-CD 3.41Š| ||
| 16 | S | 49.2 | Very low | 49 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 123.1 | 165.4 | -172 | 0 | 0 | 0 | 0 | 109.5 | D18 | S16-D18 PolarHBondContact O-N 2.89Š| ||
| 17 | P | 46.3 | Very low | 47.3 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | trans | -79.9 | 114.1 | 164.1 | 30.5 | -25.5 | 0 | 0 | 0 | 108.1 | L15 | L15-P17 WeakPolarHBondContact O-CD 3.41Š| ||
| 18 | D | 37.9 | Very low | 45.4 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -85.1 | 119 | 164.9 | -155.5 | 18.8 | 0 | 0 | 0 | 107.7 | S16 | S16-D18 PolarHBondContact O-N 2.89Š| ||
| 19 | E | 43.1 | Very low | 44 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -86.8 | 151 | -178.3 | -76.4 | -120 | 151.6 | 0 | 0 | 110.8 | ||||
| 20 | E | 40.3 | Very low | 42.9 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 64.6 | 107.2 | 160.5 | -65.2 | -174.6 | 164.7 | 0 | 0 | 118.9 | ||||
| 21 | E | 36.3 | Very low | 42 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | -149.4 | 130.5 | 120.9 | -148.3 | 170.1 | -161.6 | 0 | 0 | 110.7 | |||||
| 22 | K | 38.6 | Very low | 40.6 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -122.5 | 112.7 | -171.3 | 170.2 | -163.1 | -169.4 | -176.9 | 0 | 104.2 | ||||
| 23 | D | 32.5 | Very low | 39.4 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -158.5 | 111.7 | 164.2 | -85.6 | -35.5 | 0 | 0 | 0 | 111.6 | ||||
| 24 | E | 33.9 | Very low | 38.1 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -126.2 | 147.8 | 147.9 | -80.3 | -88.3 | 175.3 | 0 | 0 | 102.9 | ||||
| 25 | P | 45 | Very low | 36.8 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -148.2 | 178.2 | 44.5 | 34 | -10.5 | 0 | 0 | 0 | 114.7 | ||||
| 26 | E | 32.6 | Very low | 35.9 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | 173.8 | 140.2 | 117.8 | -92.1 | -179.3 | -176.8 | 0 | 0 | 114.2 | |||||
| 27 | N | 30.1 | Very low | 35.1 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -67.4 | 153.9 | 171.9 | -66.5 | -70.1 | 0 | 0 | 0 | 111.6 | ||||
| 28 | D | 29.7 | Very low | 34.4 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -148.1 | 136.4 | 136.6 | -120.4 | -15.6 | 0 | 0 | 0 | 114 | ||||
| 29 | V | 34.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | trans | -95.2 | 137.4 | -174.3 | 171.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 30 | V | 36.4 | Very low | 33.5 | Very low | 146 Ų | 146 | 148 Ų | 148 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -144.2 | 106.5 | 153.5 | -89.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 31 | E | 35.2 | Very low | 33.1 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 154.1 | 157.6 | -70.1 | -177.6 | 132.3 | 0 | 0 | 111 | ||||
| 32 | N | 29.4 | Very low | 32.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -169.6 | 100.2 | 135.3 | -94.5 | -44.1 | 0 | 0 | 0 | 112.3 | ||||
| 33 | L | 31.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 25 | 129.8 | 126.8 | -55.1 | 163.8 | 0 | 0 | 0 | 120 | |||||
| 34 | S | 30.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 158.8 | 132.6 | 101.8 | -170.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 35 | A | 30.8 | Very low | 32.3 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 66.8 | 133.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 36 | G | 29.6 | Very low | 31.5 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -173.8 | 158.8 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 37 | N | 32.2 | Very low | 31.6 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -68.3 | 147.2 | 171 | -78.2 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 38 | L | 32.2 | Very low | 32.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | -159.1 | 129.9 | 125.5 | -139.2 | 75.1 | 0 | 0 | 0 | 112.9 | |||||
| 39 | S | 32.2 | Very low | 32.3 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -59.1 | 153.3 | 172 | 52 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 40 | H | 30.9 | Very low | 32.2 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | -168.6 | 150.9 | 117.8 | -158.9 | -96.4 | 0 | 0 | 0 | 112.7 | |||||
| 41 | V | 31.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 131 Ų | 131 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -99.3 | 171.7 | -168.9 | 152.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 42 | A | 31.1 | Very low | 31.8 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | trans | 94.4 | 102.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 43 | E | 30.7 | Very low | 32.1 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | 83.1 | 119.1 | 71.3 | -77 | -171.9 | 178.8 | 0 | 0 | 115 | |||||
| 44 | N | 31.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 52 | 138 | 145 | -68.6 | -28.7 | 0 | 0 | 0 | 118.9 | ||||
| 45 | T | 32 | Very low | 32.5 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | cis | 174.5 | 154.2 | 48.8 | -16.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 46 | G | 28 | Very low | 32.7 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 105.5 | 100.4 | 140 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 47 | F | 34.3 | Very low | 32.7 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -84.3 | 156.4 | 143.8 | -118.7 | -106.8 | 0 | 0 | 0 | 108 | ||||
| 48 | P | 43.4 | Very low | 33.2 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -144.2 | 148.4 | 67 | 29 | -4.9 | 0 | 0 | 0 | 115.7 | |||||
| 49 | D | 31.2 | Very low | 33.3 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | 61.8 | 117.3 | 104 | -156.1 | 28.3 | 0 | 0 | 0 | 117.4 | |||||
| 50 | D | 31.9 | Very low | 34.2 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | 169.9 | 134.7 | 117.1 | -109.5 | -43.7 | 0 | 0 | 0 | 113.6 | |||||
| 51 | G | 31.3 | Very low | 34.6 | Very low | 67 Ų | 67 | 142.1 Ų | 142.1 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 95.2 | 94 | 130.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 52 | K | 32.5 | Very low | 35.7 | Very low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | 93.1 | 103.5 | 121.2 | -153.9 | 160.9 | -172.1 | 178.8 | 0 | 121.5 | |||||
| 53 | S | 35.3 | Very low | 36.5 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | 54.2 | 116.6 | 122 | -177.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 54 | T | 32.4 | Very low | 37.4 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | -166.4 | 126.7 | 109.7 | 10.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 55 | Q | 37.3 | Very low | 38.3 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -69 | 127.1 | 162 | -72.1 | 177.3 | -17.1 | 0 | 0 | 109.2 | ||||
| 56 | I | 35.4 | Very low | 39.4 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -135 | 102.7 | 146.9 | -58.9 | -175.7 | 0 | 0 | 0 | 108.5 | ||||
| 57 | R | 30.2 | Very low | 40.6 | Very low | 234 Ų | 234 | 148 Ų | 148 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 10.4 | 128.2 | 141.2 | -127.3 | 172 | 174.4 | -175.6 | -4 | 117.5 | ||||
| 58 | N | 42.3 | Very low | 41.9 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -55 | 132.1 | 159.1 | -58 | -55.3 | 0 | 0 | 0 | 109.9 | ||||
| 59 | D | 34.5 | Very low | 42.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -133.5 | 133.7 | 154.6 | -135.2 | -9.2 | 0 | 0 | 0 | 109.6 | ||||
| 60 | V | 51.5 | Low | 44.3 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | trans | -101.4 | 109.7 | -178.1 | 171.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 61 | D | 38.6 | Very low | 46.2 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -165.6 | 95.3 | 159.1 | -91.7 | -43.7 | 0 | 0 | 0 | 104.3 | ||||
| 62 | D | 55.3 | Low | 48.4 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | 37.9 | 125.9 | 76.4 | -146.2 | 22.8 | 0 | 0 | 0 | 115 | |||||
| 63 | D | 46.1 | Very low | 50.8 | Low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 68 | 122.6 | -179.5 | -68.9 | -34.6 | 0 | 0 | 0 | 119.7 | ||
| 64 | S | 51.1 | Low | 53 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 87.1 | 44.5 | 154.1 | 71.3 | 0 | 0 | 0 | 0 | 121.1 | T66 | S64-T66 PolarHBondContact O-N 3.45Š| ||
| 65 | R | 48.8 | Very low | 55.6 | Low | 243 Ų | 243 | 131.8 Ų | 131.8 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | trans | -86.9 | 68.3 | 142.7 | -71.3 | -168.5 | -174.4 | -157.5 | 2.3 | 110.3 | C67 | R65-C67 PolarHBondContact O-N 3.04Š| ||
| 66 | T | 55.2 | Low | 57.9 | Low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -62.3 | 89.6 | 154.9 | 35.4 | 0 | 0 | 0 | 0 | 108.1 | S64 | S64-T66 PolarHBondContact O-N 3.45Š| ||
| 67 | C | 53.8 | Low | 60.3 | Low | 98 Ų | 98 | 123.2 Ų | 123.2 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | trans | -141 | 100.3 | 161.4 | -123.7 | 0 | 0 | 0 | 0 | 106.8 | R65 M69 | R65-C67 PolarHBondContact O-N 3.04Å; C67-M69 PolarHBondContact O-N 2.87Å | ||
| 68 | S | 61.3 | Low | 63.1 | Low | 52 Ų | 52 | 117.4 Ų | 117.4 | 36% | 0.364 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 123.3 | 167.7 | -58.9 | 0 | 0 | 0 | 0 | 107.6 | E74 | S68-E74 WeakPolarHBondContact CB-OE2 3.44Å; S68-E74 PolarHBondContact OG-OE2 3Å |
| 69 | M | 64 | Low | 65.5 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 129.5 | 179.8 | -71.9 | -71.8 | -72.9 | 0 | 0 | 109.1 | C67 G71 I72 W77 | C67-M69 PolarHBondContact O-N 2.87Å; M69-G71 PolarHBondContact O-N 3.35Å; M69-G71 VanDerWaalsContact O-N 3.14Å; M69-I72 HydrophobicContact CB-CD1 4.07Å; M69-I72 PolarHBondContact O-N 2.98Å; M69-W77 HydrophobicContact CG-CH2 4.26Å; M69-W77 HydrophobicContact CG-CZ3 4.23Å |
| 70 | P | 60.6 | Low | 68.2 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 85% | 0.851 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 121.5 | 177.9 | -20.9 | 30.6 | 0 | 0 | 0 | 110 | ||
| 71 | G | 71.9 | Confident | 70.1 | Confident | 87 Ų | 87 | 110.8 Ų | 110.8 | 90% | 0.897 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104 | -0.7 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | M69 | M69-G71 PolarHBondContact O-N 3.35Å; M69-G71 VanDerWaalsContact O-N 3.14Å |
| 72 | I | 77.3 | Confident | 72.6 | Confident | 78 Ų | 78 | 107.3 Ų | 107.3 | 40% | 0.4 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -110 | 133.8 | 172 | -58.6 | 176 | 0 | 0 | 0 | 108.7 | M69 M76 W77 | M69-I72 HydrophobicContact CB-CD1 4.07Å; M69-I72 PolarHBondContact O-N 2.98Å; I72-M76 HydrophobicContact CG2-CB 3.88Å; I72-M76 HydrophobicContact CG2-CG 4.32Å; I72-W77 HydrophobicContact CG2-CB 4.46Å |
| 73 | S | 83.6 | Confident | 74.4 | Confident | 63 Ų | 63 | 106.4 Ų | 106.4 | 44% | 0.441 | 58% | 0.576 | S | S | . | * | trans | -64.6 | 142.3 | 176.2 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | E75 M76 W77 | S73-E75 PolarHBondContact O-N 3.37Å; S73-E75 VanDerWaalsContact O-N 3.16Å; S73-M76 WeakPolarHBondContact O-CB 3.37Å; S73-M76 PolarHBondContact O-N 2.89Å; S73-M76 WeakPolarHBondContact OG-CB 3.43Å; S73-W77 PolarHBondContact O-N 3.38Å | ||
| 74 | E | 81.9 | Confident | 76.4 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 45% | 0.449 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -54.3 | -38.3 | -177 | -171.1 | 58.6 | -142.4 | 0 | 0 | 112.1 | S68 M76 W77 Q78 | S68-E74 WeakPolarHBondContact CB-OE2 3.44Å; S68-E74 PolarHBondContact OG-OE2 3Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 3.46Å; E74-W77 PolarHBondContact O-N 2.9Å; E74-Q78 WeakPolarHBondContact O-CG 3.48Å; E74-Q78 PolarHBondContact O-N 3.14Å |
| 75 | E | 85.9 | Confident | 78.4 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.8 | -38.2 | 176.5 | -62 | -177.3 | 180 | 0 | 0 | 113.1 | S73 K79 | S73-E75 PolarHBondContact O-N 3.37Å; S73-E75 VanDerWaalsContact O-N 3.16Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CG 3.31Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.42Å |
| 76 | M | 86.5 | Confident | 80.4 | Confident | 120 Ų | 120 | 102.5 Ų | 102.5 | 59% | 0.591 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.9 | -35 | -179.8 | -159.3 | 173.4 | -56.2 | 0 | 0 | 110.5 | I72 S73 E74 K79 F80 | I72-M76 HydrophobicContact CG2-CB 3.88Å; I72-M76 HydrophobicContact CG2-CG 4.32Å; S73-M76 WeakPolarHBondContact O-CB 3.37Å; S73-M76 PolarHBondContact O-N 2.89Å; S73-M76 WeakPolarHBondContact OG-CB 3.43Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 3.46Å; M76-K79 PolarHBondContact O-N 3.1Å; M76-F80 PolarHBondContact O-N 3.47Å |
| 77 | W | 85.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 102.5 Ų | 102.5 | 19% | 0.189 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 172.3 | -173.3 | -120.6 | 0 | 0 | 0 | 112.4 | M69 I72 S73 E74 K79 F80 Q81 | M69-W77 HydrophobicContact CG-CH2 4.26Å; M69-W77 HydrophobicContact CG-CZ3 4.23Å; I72-W77 HydrophobicContact CG2-CB 4.46Å; S73-W77 PolarHBondContact O-N 3.38Å; E74-W77 PolarHBondContact O-N 2.9Å; W77-K79 PolarHBondContact O-N 3.36Å; W77-F80 HydrophobicContact CE3-CD1 4.04Å; W77-F80 HydrophobicContact CH2-CD1 4.23Å; W77-F80 HydrophobicContact CH2-CE1 4.31Å; W77-F80 AromaticContact CZ3-CD1 3.73Å; W77-F80 HydrophobicContact CZ3-CD1 3.73Å; W77-F80 HydrophobicContact CZ3-CE1 4.06Å; W77-F80 WeakPolarHBondContact O-CB 3.29Å; W77-F80 PolarHBondContact O-N 3.01Å; W77-F80 VanDerWaalsContact O-N 3.16Å; W77-Q81 WeakPolarHBondContact O-CG 3.38Å; W77-Q81 PolarHBondContact O-N 3.46Å |
| 78 | Q | 89.9 | Confident | 83.7 | Confident | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 173.8 | -75.4 | 177.9 | -0.5 | 0 | 0 | 112 | E74 F80 Q81 V82 | E74-Q78 WeakPolarHBondContact O-CG 3.48Å; E74-Q78 PolarHBondContact O-N 3.14Å; Q78-F80 VanDerWaalsContact C-N 3.28Å; Q78-F80 PolarHBondContact O-N 2.93Å; Q78-Q81 PolarHBondContact O-N 3.34Å; Q78-V82 WeakPolarHBondContact O-CG2 3.16Å; Q78-V82 PolarHBondContact O-N 3.07Å |
| 79 | K | 91.9 | Very high | 85.1 | Confident | 136 Ų | 136 | 104 Ų | 104 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.8 | -41.5 | 173.6 | -76.9 | 172 | -176.6 | 171 | 0 | 111.6 | E75 M76 W77 V82 L83 | E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CG 3.31Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.42Å; M76-K79 PolarHBondContact O-N 3.1Å; W77-K79 PolarHBondContact O-N 3.36Å; K79-V82 PolarHBondContact O-N 3.03Å; K79-L83 WeakPolarHBondContact O-CB 3.45Å; K79-L83 VanDerWaalsContact O-CG 3.29Å; K79-L83 WeakPolarHBondContact O-CG 3.4Å; K79-L83 PolarHBondContact O-N 2.84Å |
| 80 | F | 91.7 | Very high | 86.3 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.2 | 177.7 | -102.1 | 0 | 0 | 0 | 112.2 | M76 W77 Q78 V82 L83 R84 | M76-F80 PolarHBondContact O-N 3.47Å; W77-F80 HydrophobicContact CE3-CD1 4.04Å; W77-F80 HydrophobicContact CH2-CD1 4.23Å; W77-F80 HydrophobicContact CH2-CE1 4.31Å; W77-F80 AromaticContact CZ3-CD1 3.73Å; W77-F80 HydrophobicContact CZ3-CD1 3.73Å; W77-F80 HydrophobicContact CZ3-CE1 4.06Å; W77-F80 WeakPolarHBondContact O-CB 3.29Å; W77-F80 PolarHBondContact O-N 3.01Å; W77-F80 VanDerWaalsContact O-N 3.16Å; Q78-F80 VanDerWaalsContact C-N 3.28Å; Q78-F80 PolarHBondContact O-N 2.93Å; F80-V82 PolarHBondContact O-N 3.2Å; F80-L83 PolarHBondContact O-N 3.03Å; F80-R84 WeakPolarHBondContact O-CB 3.1Å; F80-R84 PolarHBondContact O-N 3.21Å |
| 81 | Q | 90.6 | Very high | 87.6 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 27% | 0.266 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177 | -65.2 | -67.7 | 6 | 0 | 0 | 112.2 | W77 Q78 L83 R84 K85 | W77-Q81 WeakPolarHBondContact O-CG 3.38Å; W77-Q81 PolarHBondContact O-N 3.46Å; Q78-Q81 PolarHBondContact O-N 3.34Å; Q81-L83 PolarHBondContact O-N 3.06Å; Q81-R84 PolarHBondContact O-N 3.43Å; Q81-K85 WeakPolarHBondContact O-CG 3.39Å; Q81-K85 PolarHBondContact O-N 3.12Å |
| 82 | V | 91.8 | Very high | 88.1 | Confident | 78 Ų | 78 | 101.5 Ų | 101.5 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | Q78 K79 F80 R84 K85 K86 | Q78-V82 WeakPolarHBondContact O-CG2 3.16Å; Q78-V82 PolarHBondContact O-N 3.07Å; K79-V82 PolarHBondContact O-N 3.03Å; F80-V82 PolarHBondContact O-N 3.2Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.45Å; V82-K85 PolarHBondContact O-N 3.27Å; V82-K86 HydrophobicContact CG1-CD 4.37Å; V82-K86 WeakPolarHBondContact O-CG 3.42Å; V82-K86 PolarHBondContact O-N 3.48Å |
| 83 | L | 92.9 | Very high | 88.3 | Confident | 115 Ų | 115 | 101.9 Ų | 101.9 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -38.1 | 177.2 | -73.6 | 170.5 | 0 | 0 | 0 | 112.1 | K79 F80 Q81 K87 | K79-L83 WeakPolarHBondContact O-CB 3.45Å; K79-L83 VanDerWaalsContact O-CG 3.29Å; K79-L83 WeakPolarHBondContact O-CG 3.4Å; K79-L83 PolarHBondContact O-N 2.84Å; F80-L83 PolarHBondContact O-N 3.03Å; Q81-L83 PolarHBondContact O-N 3.06Å; L83-K87 WeakPolarHBondContact O-CB 3.35Å; L83-K87 PolarHBondContact O-N 3.44Å |
| 84 | R | 88.8 | Confident | 88.2 | Confident | 144 Ų | 144 | 105 Ų | 105 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 175.7 | -172.1 | 178.3 | 175.1 | -177 | -0.6 | 111.3 | F80 Q81 V82 K86 K87 D88 | F80-R84 WeakPolarHBondContact O-CB 3.1Å; F80-R84 PolarHBondContact O-N 3.21Å; Q81-R84 PolarHBondContact O-N 3.43Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.45Å; R84-K86 PolarHBondContact O-N 2.97Å; R84-K87 WeakPolarHBondContact O-CB 3.45Å; R84-K87 PolarHBondContact O-N 2.99Å; R84-D88 PolarHBondContact O-N 3.32Å; R84-D88 VanDerWaalsContact O-N 3.12Å |
| 85 | K | 91.8 | Very high | 87.8 | Confident | 141 Ų | 141 | 105.7 Ų | 105.7 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.5 | -48.8 | 175.8 | -71 | -177.6 | 178.7 | -171.5 | 0 | 111.9 | Q81 V82 K87 D88 E89 | Q81-K85 WeakPolarHBondContact O-CG 3.39Å; Q81-K85 PolarHBondContact O-N 3.12Å; V82-K85 PolarHBondContact O-N 3.27Å; K85-K87 VanDerWaalsContact C-N 3.32Å; K85-K87 PolarHBondContact O-N 2.98Å; K85-D88 PolarHBondContact O-N 3.31Å; K85-D88 VanDerWaalsContact O-N 3.09Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 3.14Å |
| 86 | K | 92 | Very high | 87.1 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.9 | -40.3 | 175.9 | -75.8 | -177 | 176.9 | -179 | 0 | 112.9 | V82 R84 D88 E89 I90 | V82-K86 HydrophobicContact CG1-CD 4.37Å; V82-K86 WeakPolarHBondContact O-CG 3.42Å; V82-K86 PolarHBondContact O-N 3.48Å; R84-K86 PolarHBondContact O-N 2.97Å; K86-D88 VanDerWaalsContact C-N 3.31Å; K86-D88 PolarHBondContact O-N 3.17Å; K86-E89 PolarHBondContact O-N 3.45Å; K86-I90 WeakPolarHBondContact O-CD1 3.5Å; K86-I90 VanDerWaalsContact O-CG1 3.22Å; K86-I90 WeakPolarHBondContact O-CG1 3.14Å; K86-I90 PolarHBondContact O-N 3.08Å |
| 87 | K | 91.1 | Very high | 86.5 | Confident | 129 Ų | 129 | 103 Ų | 103 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 177 | -177.1 | -174.7 | 178.4 | 179.8 | 0 | 111.4 | L83 R84 K85 I90 K91 | L83-K87 WeakPolarHBondContact O-CB 3.35Å; L83-K87 PolarHBondContact O-N 3.44Å; R84-K87 WeakPolarHBondContact O-CB 3.45Å; R84-K87 PolarHBondContact O-N 2.99Å; K85-K87 VanDerWaalsContact C-N 3.32Å; K85-K87 PolarHBondContact O-N 2.98Å; K87-I90 PolarHBondContact O-N 2.94Å; K87-K91 WeakPolarHBondContact O-CG 3.46Å; K87-K91 PolarHBondContact O-N 2.94Å; K87-K91 VanDerWaalsContact O-N 3.09Å |
| 88 | D | 87.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 109.7 Ų | 109.7 | 35% | 0.348 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.3 | -37.4 | -178.4 | -65.1 | -29.6 | 0 | 0 | 0 | 111.8 | R84 K85 K86 I90 K91 T92 | R84-D88 PolarHBondContact O-N 3.32Å; R84-D88 VanDerWaalsContact O-N 3.12Å; K85-D88 PolarHBondContact O-N 3.31Å; K85-D88 VanDerWaalsContact O-N 3.09Å; K86-D88 VanDerWaalsContact C-N 3.31Å; K86-D88 PolarHBondContact O-N 3.17Å; D88-I90 PolarHBondContact O-N 3.49Å; D88-K91 PolarHBondContact O-N 3.14Å; D88-K91 IonicContact OD1-NZ 2.98Å; D88-K91 PolarHBondContact OD1-NZ 2.86Å; D88-T92 WeakPolarHBondContact O-CG2 3.37Å; D88-T92 PolarHBondContact O-N 3.17Å; D88-T92 PolarHBondContact O-OG1 3.45Å |
| 89 | E | 89.9 | Confident | 84.8 | Confident | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 169.6 | -69.5 | 167.1 | -162.5 | 0 | 0 | 112.8 | K85 K86 K91 T92 T93 | K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 3.14Å; K86-E89 PolarHBondContact O-N 3.45Å; E89-K91 VanDerWaalsContact C-N 3.33Å; E89-K91 PolarHBondContact O-N 3.41Å; E89-T92 WeakPolarHBondContact CA-OG1 3.24Å; E89-T92 PolarHBondContact O-N 2.96Å; E89-T92 PolarHBondContact O-OG1 3.31Å; E89-T93 WeakPolarHBondContact O-CG2 3.45Å; E89-T93 PolarHBondContact O-N 2.99Å; E89-T93 VanDerWaalsContact O-N 3.07Å; E89-T93 PolarHBondContact O-OG1 3.39Å |
| 90 | I | 88.3 | Confident | 83.7 | Confident | 90 Ų | 90 | 111.6 Ų | 111.6 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 176.5 | -67 | 163.6 | 0 | 0 | 0 | 111 | K86 K87 D88 T93 K94 | K86-I90 WeakPolarHBondContact O-CD1 3.5Å; K86-I90 VanDerWaalsContact O-CG1 3.22Å; K86-I90 WeakPolarHBondContact O-CG1 3.14Å; K86-I90 PolarHBondContact O-N 3.08Å; K87-I90 PolarHBondContact O-N 2.94Å; D88-I90 PolarHBondContact O-N 3.49Å; I90-T93 WeakPolarHBondContact CA-OG1 3.35Å; I90-T93 PolarHBondContact O-OG1 3.13Å; I90-K94 HydrophobicContact CG2-CD 4.08Å; I90-K94 WeakPolarHBondContact O-CB 3.42Å; I90-K94 VanDerWaalsContact O-CG 3.25Å; I90-K94 WeakPolarHBondContact O-CG 3.5Å; I90-K94 PolarHBondContact O-N 3.33Å; I90-K94 VanDerWaalsContact O-N 3.14Å |
| 91 | K | 87.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 114.8 Ų | 114.8 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 175.6 | -71 | 170.6 | -170 | 157.7 | 0 | 111.3 | K87 D88 E89 T93 K94 I95 | K87-K91 WeakPolarHBondContact O-CG 3.46Å; K87-K91 PolarHBondContact O-N 2.94Å; K87-K91 VanDerWaalsContact O-N 3.09Å; D88-K91 PolarHBondContact O-N 3.14Å; D88-K91 IonicContact OD1-NZ 2.98Å; D88-K91 PolarHBondContact OD1-NZ 2.86Å; E89-K91 VanDerWaalsContact C-N 3.33Å; E89-K91 PolarHBondContact O-N 3.41Å; K91-T93 PolarHBondContact O-N 2.87Å; K91-K94 PolarHBondContact O-N 3.36Å; K91-I95 WeakPolarHBondContact O-CB 3.35Å; K91-I95 WeakPolarHBondContact O-CD1 3.36Å; K91-I95 WeakPolarHBondContact O-CG1 3.44Å; K91-I95 PolarHBondContact O-N 3.08Å |
| 92 | T | 83.7 | Confident | 81.1 | Confident | 89 Ų | 89 | 120.9 Ų | 120.9 | 55% | 0.546 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -177.6 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | D88 E89 I95 H96 | D88-T92 WeakPolarHBondContact O-CG2 3.37Å; D88-T92 PolarHBondContact O-N 3.17Å; D88-T92 PolarHBondContact O-OG1 3.45Å; E89-T92 WeakPolarHBondContact CA-OG1 3.24Å; E89-T92 PolarHBondContact O-N 2.96Å; E89-T92 PolarHBondContact O-OG1 3.31Å; T92-I95 PolarHBondContact O-N 3.11Å; T92-H96 WeakPolarHBondContact O-CB 3.48Å; T92-H96 PolarHBondContact O-N 2.96Å |
| 93 | T | 81.1 | Confident | 79.6 | Confident | 86 Ų | 86 | 124.4 Ų | 124.4 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 174.9 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | E89 I90 K91 I95 H96 E97 | E89-T93 WeakPolarHBondContact O-CG2 3.45Å; E89-T93 PolarHBondContact O-N 2.99Å; E89-T93 VanDerWaalsContact O-N 3.07Å; E89-T93 PolarHBondContact O-OG1 3.39Å; I90-T93 WeakPolarHBondContact CA-OG1 3.35Å; I90-T93 PolarHBondContact O-OG1 3.13Å; K91-T93 PolarHBondContact O-N 2.87Å; T93-I95 VanDerWaalsContact C-N 3.32Å; T93-I95 PolarHBondContact O-N 3.4Å; T93-H96 PolarHBondContact O-N 3.26Å; T93-E97 PolarHBondContact O-N 3.39Å |
| 94 | K | 80.7 | Confident | 78.1 | Confident | 130 Ų | 130 | 126.9 Ų | 126.9 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -40.6 | 174.9 | -77.3 | 178.2 | 179.5 | -178.4 | 0 | 112.6 | I90 K91 R98 | I90-K94 HydrophobicContact CG2-CD 4.08Å; I90-K94 WeakPolarHBondContact O-CB 3.42Å; I90-K94 VanDerWaalsContact O-CG 3.25Å; I90-K94 WeakPolarHBondContact O-CG 3.5Å; I90-K94 PolarHBondContact O-N 3.33Å; I90-K94 VanDerWaalsContact O-N 3.14Å; K91-K94 PolarHBondContact O-N 3.36Å; K94-R98 VanDerWaalsContact O-CG 3.29Å; K94-R98 WeakPolarHBondContact O-CG 3.5Å; K94-R98 PolarHBondContact O-N 3.42Å |
| 95 | I | 74.4 | Confident | 76.5 | Confident | 110 Ų | 110 | 127.6 Ų | 127.6 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.1 | -44.4 | 176.9 | -68.4 | 162.9 | 0 | 0 | 0 | 110.3 | K91 T92 T93 E97 R98 R99 | K91-I95 WeakPolarHBondContact O-CB 3.35Å; K91-I95 WeakPolarHBondContact O-CD1 3.36Å; K91-I95 WeakPolarHBondContact O-CG1 3.44Å; K91-I95 PolarHBondContact O-N 3.08Å; T92-I95 PolarHBondContact O-N 3.11Å; T93-I95 VanDerWaalsContact C-N 3.32Å; T93-I95 PolarHBondContact O-N 3.4Å; I95-E97 PolarHBondContact O-N 3.15Å; I95-R98 PolarHBondContact O-N 3.18Å; I95-R99 WeakPolarHBondContact O-CB 3.45Å; I95-R99 PolarHBondContact O-N 3.21Å |
| 96 | H | 71.1 | Confident | 74.8 | Confident | 102 Ų | 102 | 127.5 Ų | 127.5 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -39.4 | 179.4 | -166.5 | 44.6 | 0 | 0 | 0 | 112.2 | T92 T93 R99 K100 | T92-H96 WeakPolarHBondContact O-CB 3.48Å; T92-H96 PolarHBondContact O-N 2.96Å; T93-H96 PolarHBondContact O-N 3.26Å; H96-R99 PolarHBondContact O-N 3.5Å; H96-K100 WeakPolarHBondContact NE2-CE 3.49Å; H96-K100 PolarHBondContact NE2-NZ 3.46Å; H96-K100 PolarHBondContact O-N 3.13Å |
| 97 | E | 73.4 | Confident | 73 | Confident | 96 Ų | 96 | 132.8 Ų | 132.8 | 45% | 0.449 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.5 | -45.4 | 175 | -165.4 | -170.7 | 167.1 | 0 | 0 | 112 | T93 I95 R99 K100 R101 | T93-E97 PolarHBondContact O-N 3.39Å; I95-E97 PolarHBondContact O-N 3.15Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.5Å; E97-K100 PolarHBondContact O-N 3.06Å; E97-R101 WeakPolarHBondContact O-CG 3.22Å; E97-R101 PolarHBondContact O-N 3.31Å; E97-R101 IonicContact OE1-CZ 2.68Å; E97-R101 VanDerWaalsContact OE1-CZ 3.28Å; E97-R101 IonicContact OE1-NE 3.28Å; E97-R101 PolarHBondContact OE1-NE 3.32Å; E97-R101 IonicContact OE1-NH2 2.8Å; E97-R101 PolarHBondContact OE1-NH2 2.93Å |
| 98 | R | 70.1 | Confident | 71.2 | Confident | 191 Ų | 191 | 135.4 Ų | 135.4 | 72% | 0.721 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.8 | -40.6 | 174.1 | -72.6 | 177.2 | 78.5 | -180 | 5.7 | 111.5 | K94 I95 R101 R102 | K94-R98 VanDerWaalsContact O-CG 3.29Å; K94-R98 WeakPolarHBondContact O-CG 3.5Å; K94-R98 PolarHBondContact O-N 3.42Å; I95-R98 PolarHBondContact O-N 3.18Å; R98-R101 PolarHBondContact O-N 3Å; R98-R102 WeakPolarHBondContact O-CG 3.43Å; R98-R102 PolarHBondContact O-N 3.26Å |
| 99 | R | 70.8 | Confident | 69.2 | Low | 156 Ų | 156 | 137 Ų | 137 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -38 | 178.1 | -164.7 | 170.9 | -175.8 | 154.2 | 0.8 | 112.4 | I95 H96 E97 R103 | I95-R99 WeakPolarHBondContact O-CB 3.45Å; I95-R99 PolarHBondContact O-N 3.21Å; H96-R99 PolarHBondContact O-N 3.5Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.5Å; R99-R103 PolarHBondContact O-N 3.46Å |
| 100 | K | 69.1 | Low | 67.4 | Low | 132 Ų | 132 | 140.1 Ų | 140.1 | 57% | 0.574 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -41.5 | 173.7 | -77.1 | -176.3 | 178.2 | 169.5 | 0 | 112.5 | H96 E97 R102 R103 K104 | H96-K100 WeakPolarHBondContact NE2-CE 3.49Å; H96-K100 PolarHBondContact NE2-NZ 3.46Å; H96-K100 PolarHBondContact O-N 3.13Å; E97-K100 PolarHBondContact O-N 3.06Å; K100-R102 VanDerWaalsContact C-N 3.33Å; K100-R102 PolarHBondContact O-N 3.43Å; K100-R103 PolarHBondContact O-N 3.03Å; K100-K104 PolarHBondContact O-N 2.84Å |
| 101 | R | 63.9 | Low | 66 | Low | 171 Ų | 171 | 139.7 Ų | 139.7 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.2 | -39.3 | 176.4 | -72.1 | -179.9 | -176.7 | -159.5 | 0.5 | 112.3 | E97 R98 K104 K105 | E97-R101 WeakPolarHBondContact O-CG 3.22Å; E97-R101 PolarHBondContact O-N 3.31Å; E97-R101 IonicContact OE1-CZ 2.68Å; E97-R101 VanDerWaalsContact OE1-CZ 3.28Å; E97-R101 IonicContact OE1-NE 3.28Å; E97-R101 PolarHBondContact OE1-NE 3.32Å; E97-R101 IonicContact OE1-NH2 2.8Å; E97-R101 PolarHBondContact OE1-NH2 2.93Å; R98-R101 PolarHBondContact O-N 3Å; R101-K104 PolarHBondContact O-N 2.62Å; R101-K105 PolarHBondContact O-N 2.98Å |
| 102 | R | 63.1 | Low | 64.6 | Low | 185 Ų | 185 | 138.4 Ų | 138.4 | 70% | 0.698 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.7 | -46.4 | 176.8 | -73.2 | -179.5 | 122.8 | 179.9 | -1.6 | 112.8 | R98 K100 K104 K105 E106 | R98-R102 WeakPolarHBondContact O-CG 3.43Å; R98-R102 PolarHBondContact O-N 3.26Å; K100-R102 VanDerWaalsContact C-N 3.33Å; K100-R102 PolarHBondContact O-N 3.43Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 2.93Å; R102-K105 WeakPolarHBondContact O-CB 3.31Å; R102-K105 PolarHBondContact O-N 3.08Å; R102-K105 VanDerWaalsContact O-N 3.07Å; R102-E106 PolarHBondContact O-N 2.94Å; R102-E106 VanDerWaalsContact O-N 3.16Å |
| 103 | R | 61.3 | Low | 63.6 | Low | 153 Ų | 153 | 139.2 Ų | 139.2 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.8 | -30.3 | 179.1 | -70.1 | -179.4 | 173.7 | -177.7 | -3 | 113.8 | R99 K100 | R99-R103 PolarHBondContact O-N 3.46Å; K100-R103 PolarHBondContact O-N 3.03Å |
| 104 | K | 60.4 | Low | 62.7 | Low | 166 Ų | 166 | 141.1 Ų | 141.1 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.7 | -26.7 | 174.7 | -165 | 175.3 | -179.1 | -179.5 | 0 | 112.4 | K100 R101 R102 | K100-K104 PolarHBondContact O-N 2.84Å; R101-K104 PolarHBondContact O-N 2.62Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 2.93Å |
| 105 | K | 56.2 | Low | 62.3 | Low | 160 Ų | 160 | 138.4 Ų | 138.4 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.1 | -39.3 | 175.7 | -169.8 | 170.4 | 179.9 | 177.6 | 0 | 111.7 | R101 R102 R107 K108 | R101-K105 PolarHBondContact O-N 2.98Å; R102-K105 WeakPolarHBondContact O-CB 3.31Å; R102-K105 PolarHBondContact O-N 3.08Å; R102-K105 VanDerWaalsContact O-N 3.07Å; K105-R107 PolarHBondContact O-N 3.29Å; K105-K108 PolarHBondContact O-N 2.82Å; K105-K108 VanDerWaalsContact O-N 3.17Å |
| 106 | E | 54.7 | Low | 62.2 | Low | 138 Ų | 138 | 140 Ų | 140 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.6 | -34.5 | 178.1 | -72.1 | 162.7 | 179.3 | 0 | 0 | 113 | R102 K108 C109 | R102-E106 PolarHBondContact O-N 2.94Å; R102-E106 VanDerWaalsContact O-N 3.16Å; E106-K108 PolarHBondContact O-N 2.96Å; E106-C109 PolarHBondContact O-N 3.42Å |
| 107 | R | 55.7 | Low | 62.5 | Low | 229 Ų | 229 | 141.6 Ų | 141.6 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -7 | 175.1 | -67.9 | -173.9 | 179.4 | -141.3 | -1.2 | 114.7 | K105 | K105-R107 PolarHBondContact O-N 3.29Š|
| 108 | K | 52.6 | Low | 62.7 | Low | 183 Ų | 183 | 144.4 Ų | 144.4 | 80% | 0.796 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 7.4 | 175.8 | -112.8 | -176 | 176.8 | -165.3 | 0 | 112.5 | K105 E106 | K105-K108 PolarHBondContact O-N 2.82Å; K105-K108 VanDerWaalsContact O-N 3.17Å; E106-K108 PolarHBondContact O-N 2.96Å |
| 109 | C | 44.2 | Very low | 63.3 | Low | 99 Ų | 99 | 139.4 Ų | 139.4 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | -99.9 | 39.5 | 176.2 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | E106 E111 | E106-C109 PolarHBondContact O-N 3.42Å; C109-E111 PolarHBondContact O-N 3.42Å | ||
| 110 | E | 53.8 | Low | 64 | Low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 61% | 0.608 | S | S | * | * | trans | -80.4 | 100.9 | 146 | -89.5 | 176.4 | 159.2 | 0 | 0 | 105.4 | ||||
| 111 | E | 58.6 | Low | 65 | Low | 82 Ų | 82 | 131.2 Ų | 131.2 | 38% | 0.383 | 60% | 0.599 | S | S | . | * | trans | -48.8 | 127.6 | 165.5 | -172.3 | -174.5 | -165.4 | 0 | 0 | 108 | C109 T113 R116 | C109-E111 PolarHBondContact O-N 3.42Å; E111-T113 PolarHBondContact O-N 3.43Å; E111-R116 IonicContact OE2-CZ 3.83Å; E111-R116 VanDerWaalsContact OE2-CZ 3.32Å; E111-R116 IonicContact OE2-NE 3.32Å; E111-R116 PolarHBondContact OE2-NE 3.13Å; E111-R116 IonicContact OE2-NH2 2.75Å; E111-R116 PolarHBondContact OE2-NH2 3.4Å | ||
| 112 | P | 58.4 | Low | 66.3 | Low | 68 Ų | 68 | 130 Ų | 130 | 44% | 0.442 | 59% | 0.594 | S | S | . | * | trans | -63.5 | 127.7 | -177.6 | 28.3 | -31.6 | 0 | 0 | 0 | 107 | E114 D115 | P112-E114 PolarHBondContact O-N 2.9Å; P112-D115 HydrophobicContact CG-CB 4.25Å; P112-D115 WeakPolarHBondContact CG-OD2 3.41Å; P112-D115 PolarHBondContact O-N 2.92Å | ||
| 113 | T | 61.2 | Low | 67.7 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -49.3 | -22.4 | 179 | 37 | 0 | 0 | 0 | 0 | 113.6 | E111 Q117 | E111-T113 PolarHBondContact O-N 3.43Å; T113-Q117 WeakPolarHBondContact O-CG 3.49Å; T113-Q117 PolarHBondContact O-N 3.09Å |
| 114 | E | 63.9 | Low | 69.2 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -36.2 | 174 | -58.8 | -174.4 | 178.6 | 0 | 0 | 114.2 | P112 Q117 R118 | P112-E114 PolarHBondContact O-N 2.9Å; E114-Q117 PolarHBondContact O-N 3.46Å; E114-R118 WeakPolarHBondContact O-CG 3.33Å; E114-R118 PolarHBondContact O-N 3.35Å |
| 115 | D | 71.1 | Confident | 70.7 | Confident | 73 Ų | 73 | 121.1 Ų | 121.1 | 39% | 0.39 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.8 | -35 | -179 | -78.5 | -27.5 | 0 | 0 | 0 | 111.7 | P112 R118 Q119 | P112-D115 HydrophobicContact CG-CB 4.25Å; P112-D115 WeakPolarHBondContact CG-OD2 3.41Å; P112-D115 PolarHBondContact O-N 2.92Å; D115-R118 PolarHBondContact O-N 2.99Å; D115-Q119 WeakPolarHBondContact O-CG 3.45Å; D115-Q119 PolarHBondContact O-N 3.42Å |
| 116 | R | 73.6 | Confident | 72.5 | Confident | 145 Ų | 145 | 119.4 Ų | 119.4 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -46.2 | 172.7 | -70.5 | -172.5 | -179.7 | -179 | 1.6 | 112.1 | E111 R118 Q119 D120 | E111-R116 IonicContact OE2-CZ 3.83Å; E111-R116 VanDerWaalsContact OE2-CZ 3.32Å; E111-R116 IonicContact OE2-NE 3.32Å; E111-R116 PolarHBondContact OE2-NE 3.13Å; E111-R116 IonicContact OE2-NH2 2.75Å; E111-R116 PolarHBondContact OE2-NH2 3.4Å; R116-R118 VanDerWaalsContact C-N 3.29Å; R116-R118 PolarHBondContact O-N 2.99Å; R116-Q119 WeakPolarHBondContact O-CB 3.49Å; R116-Q119 PolarHBondContact O-N 2.88Å; R116-Q119 VanDerWaalsContact O-N 3.12Å; R116-D120 VanDerWaalsContact O-CG 3.3Å; R116-D120 PolarHBondContact O-N 2.96Å |
| 117 | Q | 75.9 | Confident | 74.4 | Confident | 135 Ų | 135 | 119.7 Ų | 119.7 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -37.4 | 177.5 | -69.7 | 178.2 | 12.5 | 0 | 0 | 112.2 | T113 E114 D120 G121 | T113-Q117 WeakPolarHBondContact O-CG 3.49Å; T113-Q117 PolarHBondContact O-N 3.09Å; E114-Q117 PolarHBondContact O-N 3.46Å; Q117-D120 PolarHBondContact O-N 3.35Å; Q117-G121 PolarHBondContact O-N 3.02Å |
| 118 | R | 77.8 | Confident | 76.2 | Confident | 155 Ų | 155 | 112.2 Ų | 112.2 | 59% | 0.585 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66 | -39.1 | 173.9 | -72.7 | 174.6 | -177.2 | -94.4 | 2.3 | 111.9 | E114 D115 R116 R122 | E114-R118 WeakPolarHBondContact O-CG 3.33Å; E114-R118 PolarHBondContact O-N 3.35Å; D115-R118 PolarHBondContact O-N 2.99Å; R116-R118 VanDerWaalsContact C-N 3.29Å; R116-R118 PolarHBondContact O-N 2.99Å; R118-R122 WeakPolarHBondContact O-CG 3.49Å; R118-R122 PolarHBondContact O-N 2.95Å |
| 119 | Q | 82.6 | Confident | 78.2 | Confident | 86 Ų | 86 | 103.7 Ų | 103.7 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 173.3 | -74.9 | -179.9 | 12.8 | 0 | 0 | 111.2 | D115 R116 G121 R122 E123 | D115-Q119 WeakPolarHBondContact O-CG 3.45Å; D115-Q119 PolarHBondContact O-N 3.42Å; R116-Q119 WeakPolarHBondContact O-CB 3.49Å; R116-Q119 PolarHBondContact O-N 2.88Å; R116-Q119 VanDerWaalsContact O-N 3.12Å; Q119-G121 VanDerWaalsContact C-N 3.27Å; Q119-G121 PolarHBondContact O-N 3.37Å; Q119-R122 PolarHBondContact O-N 3.21Å; Q119-R122 VanDerWaalsContact O-N 3.09Å; Q119-E123 WeakPolarHBondContact O-CG 3.29Å; Q119-E123 PolarHBondContact O-N 3.1Å |
| 120 | D | 86.1 | Confident | 80.6 | Confident | 78 Ų | 78 | 106.1 Ų | 106.1 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.2 | -40.8 | 177.1 | -67.9 | -28.5 | 0 | 0 | 0 | 111.9 | R116 Q117 K124 | R116-D120 VanDerWaalsContact O-CG 3.3Å; R116-D120 PolarHBondContact O-N 2.96Å; Q117-D120 PolarHBondContact O-N 3.35Å; D120-K124 WeakPolarHBondContact O-CD 3.32Å; D120-K124 WeakPolarHBondContact O-CG 3.34Å; D120-K124 PolarHBondContact O-N 2.89Å |
| 121 | G | 90.2 | Very high | 82.5 | Confident | 37 Ų | 37 | 104.1 Ų | 104.1 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q117 Q119 K124 H125 | Q117-G121 PolarHBondContact O-N 3.02Å; Q119-G121 VanDerWaalsContact C-N 3.27Å; Q119-G121 PolarHBondContact O-N 3.37Å; G121-K124 PolarHBondContact O-N 3.33Å; G121-H125 WeakPolarHBondContact O-CB 3.15Å; G121-H125 PolarHBondContact O-N 3.5Å |
| 122 | R | 90.4 | Very high | 84.2 | Confident | 147 Ų | 147 | 102.1 Ų | 102.1 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 175.8 | -75 | -173.4 | -65.4 | -104 | 2.6 | 111.8 | R118 Q119 H125 W126 | R118-R122 WeakPolarHBondContact O-CG 3.49Å; R118-R122 PolarHBondContact O-N 2.95Å; Q119-R122 PolarHBondContact O-N 3.21Å; Q119-R122 VanDerWaalsContact O-N 3.09Å; R122-H125 PolarHBondContact O-N 3.15Å; R122-W126 WeakPolarHBondContact O-CB 3.35Å; R122-W126 PolarHBondContact O-N 2.99Å |
| 123 | E | 92.2 | Very high | 85.9 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 178 | -74.1 | -176.7 | -163.6 | 0 | 0 | 112.5 | Q119 W126 K127 | Q119-E123 WeakPolarHBondContact O-CG 3.29Å; Q119-E123 PolarHBondContact O-N 3.1Å; E123-W126 PolarHBondContact O-N 2.9Å; E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 VanDerWaalsContact O-CG 3.27Å; E123-K127 WeakPolarHBondContact O-CG 3.46Å; E123-K127 PolarHBondContact O-N 3.28Å; E123-K127 IonicContact OE2-NZ 3.23Å |
| 124 | K | 93.4 | Very high | 87.2 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 175.4 | -71.7 | 166.6 | -170.3 | 177.6 | 0 | 111 | D120 G121 W126 K127 E128 | D120-K124 WeakPolarHBondContact O-CD 3.32Å; D120-K124 WeakPolarHBondContact O-CG 3.34Å; D120-K124 PolarHBondContact O-N 2.89Å; G121-K124 PolarHBondContact O-N 3.33Å; K124-W126 PolarHBondContact O-N 3.28Å; K124-K127 PolarHBondContact O-N 2.98Å; K124-E128 WeakPolarHBondContact O-CB 3.34Å; K124-E128 PolarHBondContact O-N 3.41Å |
| 125 | H | 92.6 | Very high | 88.2 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.6 | -39.5 | 174.8 | 180 | -93.6 | 0 | 0 | 0 | 111.6 | G121 R122 E128 L129 R192 | G121-H125 WeakPolarHBondContact O-CB 3.15Å; G121-H125 PolarHBondContact O-N 3.5Å; R122-H125 PolarHBondContact O-N 3.15Å; H125-E128 PolarHBondContact O-N 3.17Å; H125-L129 WeakPolarHBondContact O-CB 3.42Å; H125-L129 PolarHBondContact O-N 3.41Å; H125-R192 PolarHBondContact CD2-NH1 3.18Å; H125-R192 PolarHBondContact NE2-NH1 3.09Å |
| 126 | W | 94.1 | Very high | 88.9 | Confident | 123 Ų | 123 | 97.2 Ų | 97.2 | 47% | 0.466 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 177.8 | -142.4 | -140.2 | 0 | 0 | 0 | 113.8 | R122 E123 K124 E128 L129 K130 I185 | R122-W126 WeakPolarHBondContact O-CB 3.35Å; R122-W126 PolarHBondContact O-N 2.99Å; E123-W126 PolarHBondContact O-N 2.9Å; K124-W126 PolarHBondContact O-N 3.28Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-L129 HydrophobicContact CE3-CB 4.26Å; W126-L129 HydrophobicContact CE3-CD2 3.9Å; W126-L129 HydrophobicContact CH2-CD2 4.04Å; W126-L129 HydrophobicContact CZ3-CB 4.5Å; W126-L129 HydrophobicContact CZ3-CD2 3.31Å; W126-L129 PolarHBondContact O-N 3.37Å; W126-K130 WeakPolarHBondContact O-CB 3.22Å; W126-K130 PolarHBondContact O-N 2.94Å; W126-I185 HydrophobicContact CH2-CB 4.26Å; W126-I185 HydrophobicContact CH2-CD1 3.43Å; W126-I185 VanDerWaalsContact CH2-CD1 3.43Å; W126-I185 HydrophobicContact CH2-CG1 3.44Å; W126-I185 VanDerWaalsContact CH2-CG1 3.44Å; W126-I185 HydrophobicContact CH2-CG2 3.78Å; W126-I185 HydrophobicContact CZ2-CD1 3.76Å; W126-I185 HydrophobicContact CZ2-CG1 3.99Å; W126-I185 HydrophobicContact CZ3-CG1 4.4Å; W126-I185 HydrophobicContact CZ3-CG2 4.1Å |
| 127 | K | 94.7 | Very high | 89.5 | Confident | 144 Ų | 144 | 94.4 Ų | 94.4 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 173.5 | -73 | 167.4 | -173.4 | 167.3 | 0 | 111.4 | E123 K124 | E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 VanDerWaalsContact O-CG 3.27Å; E123-K127 WeakPolarHBondContact O-CG 3.46Å; E123-K127 PolarHBondContact O-N 3.28Å; E123-K127 IonicContact OE2-NZ 3.23Å; K124-K127 PolarHBondContact O-N 2.98Å |
| 128 | E | 93.7 | Very high | 89.9 | Confident | 73 Ų | 73 | 99 Ų | 99 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.5 | -175.9 | -175.5 | 175.8 | 0 | 0 | 111.4 | K124 H125 W126 K130 Q131 Y132 | K124-E128 WeakPolarHBondContact O-CB 3.34Å; K124-E128 PolarHBondContact O-N 3.41Å; H125-E128 PolarHBondContact O-N 3.17Å; W126-E128 VanDerWaalsContact C-N 3.33Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 3.02Å; E128-Q131 VanDerWaalsContact O-CB 3.25Å; E128-Q131 WeakPolarHBondContact O-CB 3.38Å; E128-Q131 PolarHBondContact O-N 3.47Å; E128-Y132 HydrophobicContact CG-CE2 4.5Å; E128-Y132 WeakPolarHBondContact O-CD2 3.5Å |
| 129 | L | 94.2 | Very high | 90 | Very high | 4 Ų | 4 | 98.9 Ų | 98.9 | 2% | 0.021 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | -178.5 | -161.6 | 69.4 | 0 | 0 | 0 | 112.5 | H125 W126 Q131 Y132 I185 A188 A189 | H125-L129 WeakPolarHBondContact O-CB 3.42Å; H125-L129 PolarHBondContact O-N 3.41Å; W126-L129 HydrophobicContact CE3-CB 4.26Å; W126-L129 HydrophobicContact CE3-CD2 3.9Å; W126-L129 HydrophobicContact CH2-CD2 4.04Å; W126-L129 HydrophobicContact CZ3-CB 4.5Å; W126-L129 HydrophobicContact CZ3-CD2 3.31Å; W126-L129 PolarHBondContact O-N 3.37Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-Q131 VanDerWaalsContact O-N 3.1Å; L129-Y132 PolarHBondContact O-N 3.19Å; L129-I185 HydrophobicContact CD2-CB 4.48Å; L129-I185 HydrophobicContact CD2-CG2 3.83Å; L129-A188 HydrophobicContact CD1-CB 3.71Å; L129-A188 HydrophobicContact CD2-CB 4.32Å; L129-A188 HydrophobicContact CG-CB 3.68Å; L129-A189 HydrophobicContact CD1-CB 4.23Å |
| 130 | K | 94.6 | Very high | 89.8 | Confident | 149 Ų | 149 | 100.1 Ų | 100.1 | 65% | 0.648 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.9 | -25.2 | 178.6 | -169.3 | 173.1 | -175.5 | 175.8 | 0 | 113.1 | W126 E128 Y132 F133 | W126-K130 WeakPolarHBondContact O-CB 3.22Å; W126-K130 PolarHBondContact O-N 2.94Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 3.02Å; K130-Y132 PolarHBondContact O-N 2.99Å; K130-F133 HydrophobicContact CB-CD2 4.26Å; K130-F133 HydrophobicContact CB-CE2 4.41Å; K130-F133 HydrophobicContact CG-CD2 3.94Å; K130-F133 HydrophobicContact CG-CE2 4.33Å; K130-F133 PolarHBondContact O-N 3.22Å |
| 131 | Q | 93.6 | Very high | 89.2 | Confident | 140 Ų | 140 | 100 Ų | 100 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.5 | 175.2 | -174.9 | 177.8 | -15 | 0 | 0 | 112.8 | E128 L129 V135 | E128-Q131 VanDerWaalsContact O-CB 3.25Å; E128-Q131 WeakPolarHBondContact O-CB 3.38Å; E128-Q131 PolarHBondContact O-N 3.47Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-Q131 VanDerWaalsContact O-N 3.1Å; Q131-V135 WeakPolarHBondContact O-CG2 3.47Å |
| 132 | Y | 93.9 | Very high | 88.3 | Confident | 40 Ų | 40 | 102.4 Ų | 102.4 | 16% | 0.157 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -6.4 | -176.8 | -59.7 | -77.9 | 0 | 0 | 0 | 113.4 | E128 L129 K130 C191 R192 V195 | E128-Y132 HydrophobicContact CG-CE2 4.5Å; E128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L129-Y132 PolarHBondContact O-N 3.19Å; K130-Y132 PolarHBondContact O-N 2.99Å; Y132-C191 HydrophobicContact CD1-CB 3.93Å; Y132-C191 HydrophobicContact CG-CB 4.19Å; Y132-R192 HydrophobicContact CD2-CB 4.08Å; Y132-R192 HydrophobicContact CE2-CB 3.78Å; Y132-R192 HydrophobicContact CE2-CG 3.86Å; Y132-V195 HydrophobicContact CE1-CG2 4.17Å |
| 133 | F | 93.6 | Very high | 87.3 | Confident | 67 Ų | 67 | 101.1 Ų | 101.1 | 29% | 0.294 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 135.9 | 174.2 | -71 | -31 | 0 | 0 | 0 | 111.6 | K130 V135 Q184 I185 A188 | K130-F133 HydrophobicContact CB-CD2 4.26Å; K130-F133 HydrophobicContact CB-CE2 4.41Å; K130-F133 HydrophobicContact CG-CD2 3.94Å; K130-F133 HydrophobicContact CG-CE2 4.33Å; K130-F133 PolarHBondContact O-N 3.22Å; F133-V135 PolarHBondContact O-N 3.39Å; F133-V135 VanDerWaalsContact O-N 3.08Å; F133-Q184 HydrophobicContact CD1-CB 4.01Å; F133-Q184 VanDerWaalsContact CE1-C 3.49Å; F133-Q184 HydrophobicContact CE1-CB 3.82Å; F133-Q184 WeakPolarHBondContact CE1-O 3.47Å; F133-I185 HydrophobicContact CE1-CG1 4.29Å; F133-I185 HydrophobicContact CZ-CG1 3.98Å; F133-A188 HydrophobicContact CD1-CB 3.71Å; F133-A188 HydrophobicContact CE1-CB 3.68Å |
| 134 | G | 88.4 | Confident | 86.2 | Confident | 39 Ų | 39 | 102.4 Ų | 102.4 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 0.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N136 D137 | G134-N136 PolarHBondContact O-N 3.02Å; G134-D137 WeakPolarHBondContact CA-OD2 3.47Å; G134-D137 PolarHBondContact O-N 3.42Å |
| 135 | V | 86.2 | Confident | 85.6 | Confident | 88 Ų | 88 | 98.2 Ų | 98.2 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -62.2 | -34.7 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | Q131 F133 | Q131-V135 WeakPolarHBondContact O-CG2 3.47Å; F133-V135 PolarHBondContact O-N 3.39Å; F133-V135 VanDerWaalsContact O-N 3.08Å |
| 136 | N | 85.9 | Confident | 85.1 | Confident | 75 Ų | 75 | 103.2 Ų | 103.2 | 40% | 0.401 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -96.8 | -7.3 | -176 | -153.8 | 40.8 | 0 | 0 | 0 | 114.2 | G134 R138 F139 | G134-N136 PolarHBondContact O-N 3.02Å; N136-R138 PolarHBondContact O-N 3.47Å; N136-R138 VanDerWaalsContact O-N 3.14Å; N136-F139 WeakPolarHBondContact O-CB 3.36Å; N136-F139 PolarHBondContact O-N 2.93Å; N136-F139 WeakPolarHBondContact OD1-CD2 3.39Å |
| 137 | D | 86 | Confident | 84.5 | Confident | 85 Ų | 85 | 102.6 Ų | 102.6 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -61.8 | -27.4 | -176.4 | -69 | 5.9 | 0 | 0 | 0 | 112 | G134 F139 Q140 | G134-D137 WeakPolarHBondContact CA-OD2 3.47Å; G134-D137 PolarHBondContact O-N 3.42Å; D137-F139 PolarHBondContact O-N 2.97Å; D137-F139 VanDerWaalsContact O-N 3.12Å; D137-Q140 PolarHBondContact O-N 2.88Å |
| 138 | R | 84.4 | Confident | 83.9 | Confident | 231 Ų | 231 | 100.6 Ų | 100.6 | 87% | 0.872 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -60.8 | -20.8 | 174.8 | -67 | 177.7 | 178.8 | -121.4 | -0.8 | 113.6 | N136 | N136-R138 PolarHBondContact O-N 3.47Å; N136-R138 VanDerWaalsContact O-N 3.14Å |
| 139 | F | 78.6 | Confident | 83.6 | Confident | 154 Ų | 154 | 103 Ų | 103 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -97.5 | 0.4 | 178.9 | -55.8 | -77.7 | 0 | 0 | 0 | 112.3 | N136 D137 | N136-F139 WeakPolarHBondContact O-CB 3.36Å; N136-F139 PolarHBondContact O-N 2.93Å; N136-F139 WeakPolarHBondContact OD1-CD2 3.39Å; D137-F139 PolarHBondContact O-N 2.97Å; D137-F139 VanDerWaalsContact O-N 3.12Å |
| 140 | Q | 78.7 | Confident | 83.5 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -118.6 | 132.9 | 178.5 | -64.2 | -169.1 | 11.4 | 0 | 0 | 112.6 | D137 | D137-Q140 PolarHBondContact O-N 2.88Š|
| 141 | P | 74.3 | Confident | 83.4 | Confident | 76 Ų | 76 | 102.2 Ų | 102.2 | 49% | 0.494 | 57% | 0.565 | S | S | . | * | S | Bend | cis | -87.4 | 165.7 | -30.6 | 42.7 | -36.8 | 0 | 0 | 0 | 110 | A143 S145 | P141-A143 PolarHBondContact O-N 3.26Å; P141-S145 WeakPolarHBondContact CB-OG 3.44Å; P141-S145 WeakPolarHBondContact CG-OG 3.25Å |
| 142 | P | 71.3 | Confident | 83.4 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 56% | 0.558 | 56% | 0.561 | S | S | * | * | trans | -51.7 | 143.4 | -179.2 | -23.9 | 32.4 | 0 | 0 | 0 | 110.9 | C144 S145 | P142-C144 PolarHBondContact O-N 2.89Å; P142-S145 PolarHBondContact O-N 2.79Å; P142-S145 PolarHBondContact O-OG 3.33Å | ||
| 143 | A | 69.4 | Low | 83.4 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 99% | 0.992 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -9.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P141 | P141-A143 PolarHBondContact O-N 3.26Š|
| 144 | C | 69.4 | Low | 83.4 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 83% | 0.831 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 5.1 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | P142 | P142-C144 PolarHBondContact O-N 2.89Š|
| 145 | S | 80.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 101.2 Ų | 101.2 | 36% | 0.357 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -82.6 | 140.3 | 178.5 | 64 | 0 | 0 | 0 | 0 | 111.6 | P141 P142 | P141-S145 WeakPolarHBondContact CB-OG 3.44Å; P141-S145 WeakPolarHBondContact CG-OG 3.25Å; P142-S145 PolarHBondContact O-N 2.79Å; P142-S145 PolarHBondContact O-OG 3.33Å |
| 146 | K | 81.7 | Confident | 84.2 | Confident | 188 Ų | 188 | 98.4 Ų | 98.4 | 82% | 0.817 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 144.7 | 166.1 | -64.5 | 174.4 | -176.5 | 175.7 | 0 | 109.2 | ||
| 147 | P | 81 | Confident | 84.7 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 71% | 0.714 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 146.2 | 175.4 | 25.3 | -33.6 | 0 | 0 | 0 | 109.6 | ||
| 148 | P | 83.2 | Confident | 85.2 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -51 | 142.2 | 173.8 | -24.6 | 33.3 | 0 | 0 | 0 | 110.6 | ||
| 149 | P | 88.1 | Confident | 85.8 | Confident | 123 Ų | 123 | 92 Ų | 92 | 80% | 0.799 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -60 | 144 | 173.6 | 27.2 | -33.8 | 0 | 0 | 0 | 109.6 | S151 | P149-S151 PolarHBondContact O-N 3.36Š|
| 150 | K | 90.9 | Very high | 86.7 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 137.3 | -179.3 | -60.5 | -171.7 | -170.5 | -178.2 | 0 | 111.6 | E154 K155 E158 | K150-E154 WeakPolarHBondContact CA-OE2 3.47Å; K150-E154 HydrophobicContact CB-CB 4.29Å; K150-E154 VanDerWaalsContact CB-OE2 3.29Å; K150-E154 WeakPolarHBondContact CB-OE2 3.38Å; K150-K155 HydrophobicContact CB-CG 4.23Å; K150-K155 WeakPolarHBondContact O-CE 3.48Å; K150-E158 WeakPolarHBondContact CD-OE1 3.42Å; K150-E158 WeakPolarHBondContact CE-OE1 3.27Å; K150-E158 IonicContact NZ-OE1 2.6Å; K150-E158 PolarHBondContact NZ-OE1 3.2Å; K150-E158 IonicContact NZ-OE2 2.75Å; K150-E158 PolarHBondContact NZ-OE2 2.89Å |
| 151 | S | 92.1 | Very high | 87.6 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 21% | 0.21 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.7 | 174.1 | 155 | 0 | 0 | 0 | 0 | 110.9 | P149 L153 E154 K155 | P149-S151 PolarHBondContact O-N 3.36Å; S151-L153 PolarHBondContact O-N 3.41Å; S151-L153 PolarHBondContact OG-N 2.87Å; S151-E154 PolarHBondContact N-OE2 3.45Å; S151-E154 WeakPolarHBondContact O-CB 3.49Å; S151-E154 PolarHBondContact O-N 2.87Å; S151-K155 PolarHBondContact O-N 3.26Å; S151-K155 VanDerWaalsContact O-N 3.07Å |
| 152 | G | 94.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.9 | -35.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K155 S156 | G152-K155 PolarHBondContact O-N 3.39Å; G152-S156 PolarHBondContact O-N 3.32Å |
| 153 | L | 93.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 87.2 Ų | 87.2 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 174.3 | -74.7 | 171.6 | 0 | 0 | 0 | 112.1 | S151 S156 M157 M172 L176 | S151-L153 PolarHBondContact O-N 3.41Å; S151-L153 PolarHBondContact OG-N 2.87Å; L153-S156 PolarHBondContact O-N 3.44Å; L153-M157 WeakPolarHBondContact O-CB 3.35Å; L153-M157 PolarHBondContact O-N 2.95Å; L153-M172 HydrophobicContact CD2-CE 3.33Å; L153-M172 HydrophobicContact CD2-SD 4.31Å; L153-L176 HydrophobicContact CB-CD1 4.3Å |
| 154 | E | 94.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 84 Ų | 84 | 26% | 0.257 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 177.4 | -65.1 | 166.7 | -172.5 | 0 | 0 | 110.9 | K150 S151 M157 E158 L176 | K150-E154 WeakPolarHBondContact CA-OE2 3.47Å; K150-E154 HydrophobicContact CB-CB 4.29Å; K150-E154 VanDerWaalsContact CB-OE2 3.29Å; K150-E154 WeakPolarHBondContact CB-OE2 3.38Å; S151-E154 PolarHBondContact N-OE2 3.45Å; S151-E154 WeakPolarHBondContact O-CB 3.49Å; S151-E154 PolarHBondContact O-N 2.87Å; E154-M157 PolarHBondContact O-N 3.45Å; E154-E158 WeakPolarHBondContact O-CG 3.39Å; E154-E158 PolarHBondContact O-N 2.95Å; E154-L176 HydrophobicContact CG-CD1 3.46Å; E154-L176 VanDerWaalsContact CG-CD1 3.46Å |
| 155 | K | 96.3 | Very high | 92.5 | Very high | 109 Ų | 109 | 81.5 Ų | 81.5 | 47% | 0.474 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.5 | -64.4 | 177.6 | -174.1 | 177.9 | 0 | 111.6 | K150 S151 G152 M157 E158 E159 | K150-K155 HydrophobicContact CB-CG 4.23Å; K150-K155 WeakPolarHBondContact O-CE 3.48Å; S151-K155 PolarHBondContact O-N 3.26Å; S151-K155 VanDerWaalsContact O-N 3.07Å; G152-K155 PolarHBondContact O-N 3.39Å; K155-M157 VanDerWaalsContact C-N 3.3Å; K155-M157 PolarHBondContact O-N 2.89Å; K155-E158 WeakPolarHBondContact O-CB 3.34Å; K155-E158 PolarHBondContact O-N 3.33Å; K155-E158 VanDerWaalsContact O-N 3.14Å; K155-E159 WeakPolarHBondContact O-CG 3.41Å; K155-E159 PolarHBondContact O-N 3.03Å |
| 156 | S | 95.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 85.5 Ų | 85.5 | 21% | 0.21 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.6 | -34 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | G152 L153 E159 A160 | G152-S156 PolarHBondContact O-N 3.32Å; L153-S156 PolarHBondContact O-N 3.44Å; S156-E159 PolarHBondContact O-N 3.37Å; S156-A160 PolarHBondContact O-N 3.03Å |
| 157 | M | 96.3 | Very high | 94 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 26% | 0.256 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 171.3 | -178.2 | 176.8 | 62.5 | 0 | 0 | 111.3 | L153 E154 K155 A160 V161 A169 M172 | L153-M157 WeakPolarHBondContact O-CB 3.35Å; L153-M157 PolarHBondContact O-N 2.95Å; E154-M157 PolarHBondContact O-N 3.45Å; K155-M157 VanDerWaalsContact C-N 3.3Å; K155-M157 PolarHBondContact O-N 2.89Å; M157-A160 PolarHBondContact O-N 2.91Å; M157-V161 VanDerWaalsContact O-CG2 3.29Å; M157-V161 WeakPolarHBondContact O-CG2 3.47Å; M157-V161 PolarHBondContact O-N 3.31Å; M157-A169 HydrophobicContact CG-CB 4.42Å; M157-M172 HydrophobicContact CB-CB 4.28Å |
| 158 | E | 96.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.5 | -72.5 | 172 | -172.5 | 0 | 0 | 112.6 | K150 E154 K155 V161 A162 | K150-E158 WeakPolarHBondContact CD-OE1 3.42Å; K150-E158 WeakPolarHBondContact CE-OE1 3.27Å; K150-E158 IonicContact NZ-OE1 2.6Å; K150-E158 PolarHBondContact NZ-OE1 3.2Å; K150-E158 IonicContact NZ-OE2 2.75Å; K150-E158 PolarHBondContact NZ-OE2 2.89Å; E154-E158 WeakPolarHBondContact O-CG 3.39Å; E154-E158 PolarHBondContact O-N 2.95Å; K155-E158 WeakPolarHBondContact O-CB 3.34Å; K155-E158 PolarHBondContact O-N 3.33Å; K155-E158 VanDerWaalsContact O-N 3.14Å; E158-V161 PolarHBondContact O-N 3.28Å; E158-A162 WeakPolarHBondContact O-CB 3.49Å; E158-A162 PolarHBondContact O-N 2.88Å |
| 159 | E | 97.1 | Very high | 95.5 | Very high | 115 Ų | 115 | 74.5 Ų | 74.5 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 173.9 | -72.7 | 166.1 | -172 | 0 | 0 | 111.4 | K155 S156 V161 A162 E163 | K155-E159 WeakPolarHBondContact O-CG 3.41Å; K155-E159 PolarHBondContact O-N 3.03Å; S156-E159 PolarHBondContact O-N 3.37Å; E159-V161 VanDerWaalsContact C-N 3.29Å; E159-V161 PolarHBondContact O-N 3.22Å; E159-A162 WeakPolarHBondContact O-CB 3.41Å; E159-A162 PolarHBondContact O-N 2.85Å; E159-A162 VanDerWaalsContact O-N 3.1Å; E159-E163 WeakPolarHBondContact O-CG 3.23Å; E159-E163 PolarHBondContact O-N 3.19Å |
| 160 | A | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.008 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S156 M157 E163 G164 D165 K168 A169 | S156-A160 PolarHBondContact O-N 3.03Å; M157-A160 PolarHBondContact O-N 2.91Å; A160-E163 PolarHBondContact O-N 3.07Å; A160-G164 PolarHBondContact O-N 3.46Å; A160-D165 PolarHBondContact O-N 3.16Å; A160-K168 HydrophobicContact CB-CB 4.28Å; A160-K168 HydrophobicContact CB-CD 4.24Å; A160-K168 HydrophobicContact CB-CG 4.22Å; A160-A169 HydrophobicContact CB-CB 4.1Å |
| 161 | V | 97.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 58% | 0.582 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | M157 E158 E159 G164 A169 | M157-V161 VanDerWaalsContact O-CG2 3.29Å; M157-V161 WeakPolarHBondContact O-CG2 3.47Å; M157-V161 PolarHBondContact O-N 3.31Å; E158-V161 PolarHBondContact O-N 3.28Å; E159-V161 VanDerWaalsContact C-N 3.29Å; E159-V161 PolarHBondContact O-N 3.22Å; V161-G164 PolarHBondContact O-N 3.45Å; V161-A169 HydrophobicContact CG2-CB 3.79Å |
| 162 | A | 97.6 | Very high | 96.3 | Very high | 91 Ų | 91 | 73.8 Ų | 73.8 | 75% | 0.752 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E158 E159 G164 | E158-A162 WeakPolarHBondContact O-CB 3.49Å; E158-A162 PolarHBondContact O-N 2.88Å; E159-A162 WeakPolarHBondContact O-CB 3.41Å; E159-A162 PolarHBondContact O-N 2.85Å; E159-A162 VanDerWaalsContact O-N 3.1Å; A162-G164 VanDerWaalsContact C-N 3.27Å |
| 163 | E | 96.3 | Very high | 96.5 | Very high | 140 Ų | 140 | 73.7 Ų | 73.7 | 65% | 0.654 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.2 | -20.1 | 173 | -70.7 | 174.5 | -179.2 | 0 | 0 | 112.6 | E159 A160 | E159-E163 WeakPolarHBondContact O-CG 3.23Å; E159-E163 PolarHBondContact O-N 3.19Å; A160-E163 PolarHBondContact O-N 3.07Å |
| 164 | G | 96.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 76.4 Ų | 76.4 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 11.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A160 V161 A162 I166 | A160-G164 PolarHBondContact O-N 3.46Å; V161-G164 PolarHBondContact O-N 3.45Å; A162-G164 VanDerWaalsContact C-N 3.27Å; G164-I166 PolarHBondContact O-N 2.83Å |
| 165 | D | 97.1 | Very high | 96.7 | Very high | 69 Ų | 69 | 80 Ų | 80 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | trans | -85.5 | 86.9 | 175.2 | -170.9 | -9.3 | 0 | 0 | 0 | 110.8 | A160 A167 K168 A169 | A160-D165 PolarHBondContact O-N 3.16Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact O-N 3.1Å; D165-A167 PolarHBondContact OD1-N 2.92Å; D165-K168 HydrophobicContact CB-CB 4.2Å; D165-K168 VanDerWaalsContact CG-CB 3.46Å; D165-K168 PolarHBondContact OD1-N 3.35Å; D165-K168 VanDerWaalsContact OD1-N 3.14Å; D165-K168 WeakPolarHBondContact OD2-CB 3.45Å; D165-A169 PolarHBondContact O-N 2.89Å | ||
| 166 | I | 96.9 | Very high | 96.7 | Very high | 135 Ų | 135 | 76 Ų | 76 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.5 | -35.9 | -177.9 | -55.5 | 172.4 | 0 | 0 | 0 | 111.3 | G164 A169 E170 | G164-I166 PolarHBondContact O-N 2.83Å; I166-A169 PolarHBondContact O-N 2.91Å; I166-E170 PolarHBondContact O-N 3.28Å |
| 167 | A | 96.9 | Very high | 96.7 | Very high | 69 Ų | 69 | 76.9 Ų | 76.9 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | D165 E170 E171 | D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact O-N 3.1Å; D165-A167 PolarHBondContact OD1-N 2.92Å; A167-E170 PolarHBondContact O-N 2.92Å; A167-E171 PolarHBondContact O-N 3.03Å; A167-E171 VanDerWaalsContact O-N 3.15Å |
| 168 | K | 97 | Very high | 96.7 | Very high | 89 Ų | 89 | 78.3 Ų | 78.3 | 39% | 0.387 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 175.3 | -173 | 179.4 | 176.9 | -170.5 | 0 | 112 | A160 D165 E170 E171 M172 | A160-K168 HydrophobicContact CB-CB 4.28Å; A160-K168 HydrophobicContact CB-CD 4.24Å; A160-K168 HydrophobicContact CB-CG 4.22Å; D165-K168 HydrophobicContact CB-CB 4.2Å; D165-K168 VanDerWaalsContact CG-CB 3.46Å; D165-K168 PolarHBondContact OD1-N 3.35Å; D165-K168 VanDerWaalsContact OD1-N 3.14Å; D165-K168 WeakPolarHBondContact OD2-CB 3.45Å; K168-E170 PolarHBondContact O-N 3.4Å; K168-E171 PolarHBondContact O-N 3.09Å; K168-M172 VanDerWaalsContact O-CG 3.24Å; K168-M172 WeakPolarHBondContact O-CG 3.45Å; K168-M172 PolarHBondContact O-N 2.97Å; K168-M172 VanDerWaalsContact O-N 3.08Å |
| 169 | A | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 81.3 Ų | 81.3 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M157 A160 V161 D165 I166 M172 S173 | M157-A169 HydrophobicContact CG-CB 4.42Å; A160-A169 HydrophobicContact CB-CB 4.1Å; V161-A169 HydrophobicContact CG2-CB 3.79Å; D165-A169 PolarHBondContact O-N 2.89Å; I166-A169 PolarHBondContact O-N 2.91Å; A169-M172 PolarHBondContact O-N 3.43Å; A169-S173 PolarHBondContact O-N 2.84Å |
| 170 | E | 96 | Very high | 96.5 | Very high | 127 Ų | 127 | 80.4 Ų | 80.4 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 176.3 | -175.5 | 176 | -165.7 | 0 | 0 | 111.7 | I166 A167 K168 M172 S173 D174 | I166-E170 PolarHBondContact O-N 3.28Å; A167-E170 PolarHBondContact O-N 2.92Å; K168-E170 PolarHBondContact O-N 3.4Å; E170-M172 VanDerWaalsContact C-N 3.28Å; E170-M172 PolarHBondContact O-N 3.27Å; E170-S173 WeakPolarHBondContact O-CB 3.26Å; E170-S173 PolarHBondContact O-N 2.85Å; E170-S173 VanDerWaalsContact O-N 3.13Å; E170-D174 PolarHBondContact O-N 3.19Å |
| 171 | E | 96.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 85.8 Ų | 85.8 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 176.3 | -177.2 | 179.5 | -170.7 | 0 | 0 | 111.7 | A167 K168 S173 D174 R175 | A167-E171 PolarHBondContact O-N 3.03Å; A167-E171 VanDerWaalsContact O-N 3.15Å; K168-E171 PolarHBondContact O-N 3.09Å; E171-S173 VanDerWaalsContact C-N 3.33Å; E171-D174 PolarHBondContact O-N 2.78Å; E171-R175 WeakPolarHBondContact O-CB 3.46Å; E171-R175 WeakPolarHBondContact O-CD 3.39Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.12Å; E171-R175 VanDerWaalsContact O-N 3.11Å; E171-R175 IonicContact OE1-CZ 3.24Å; E171-R175 VanDerWaalsContact OE1-CZ 3.24Å; E171-R175 IonicContact OE1-NE 3.31Å; E171-R175 PolarHBondContact OE1-NE 3.36Å; E171-R175 IonicContact OE1-NH2 2.62Å; E171-R175 PolarHBondContact OE1-NH2 3.43Å |
| 172 | M | 96.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 84 Ų | 84 | 10% | 0.103 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68 | -34.2 | 178.5 | -64.2 | -60.6 | -83.9 | 0 | 0 | 112.2 | L153 M157 K168 A169 E170 L176 | L153-M172 HydrophobicContact CD2-CE 3.33Å; L153-M172 HydrophobicContact CD2-SD 4.31Å; M157-M172 HydrophobicContact CB-CB 4.28Å; K168-M172 VanDerWaalsContact O-CG 3.24Å; K168-M172 WeakPolarHBondContact O-CG 3.45Å; K168-M172 PolarHBondContact O-N 2.97Å; K168-M172 VanDerWaalsContact O-N 3.08Å; A169-M172 PolarHBondContact O-N 3.43Å; E170-M172 VanDerWaalsContact C-N 3.28Å; E170-M172 PolarHBondContact O-N 3.27Å; M172-L176 WeakPolarHBondContact O-CB 3.38Å; M172-L176 PolarHBondContact O-N 3.05Å |
| 173 | S | 96.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 83 Ų | 83 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 112 | A169 E170 E171 R175 L176 A177 | A169-S173 PolarHBondContact O-N 2.84Å; E170-S173 WeakPolarHBondContact O-CB 3.26Å; E170-S173 PolarHBondContact O-N 2.85Å; E170-S173 VanDerWaalsContact O-N 3.13Å; E171-S173 VanDerWaalsContact C-N 3.33Å; S173-R175 VanDerWaalsContact C-N 3.3Å; S173-R175 PolarHBondContact O-N 3.43Å; S173-L176 PolarHBondContact O-N 2.95Å; S173-L176 VanDerWaalsContact O-N 3.17Å; S173-A177 WeakPolarHBondContact O-CB 3.3Å; S173-A177 PolarHBondContact O-N 3.42Å |
| 174 | D | 96.5 | Very high | 96 | Very high | 100 Ų | 100 | 80.8 Ų | 80.8 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 178.7 | -78.2 | -13.1 | 0 | 0 | 0 | 112.3 | E170 E171 S178 | E170-D174 PolarHBondContact O-N 3.19Å; E171-D174 PolarHBondContact O-N 2.78Å; D174-S178 WeakPolarHBondContact O-CB 3.44Å; D174-S178 PolarHBondContact O-N 3.02Å; D174-S178 PolarHBondContact O-OG 3.37Å |
| 175 | R | 96.1 | Very high | 96 | Very high | 132 Ų | 132 | 80.5 Ų | 80.5 | 50% | 0.498 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.1 | -72.4 | 170.3 | 177.2 | -156.3 | 0.9 | 111.4 | E171 S173 S178 R179 | E171-R175 WeakPolarHBondContact O-CB 3.46Å; E171-R175 WeakPolarHBondContact O-CD 3.39Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.12Å; E171-R175 VanDerWaalsContact O-N 3.11Å; E171-R175 IonicContact OE1-CZ 3.24Å; E171-R175 VanDerWaalsContact OE1-CZ 3.24Å; E171-R175 IonicContact OE1-NE 3.31Å; E171-R175 PolarHBondContact OE1-NE 3.36Å; E171-R175 IonicContact OE1-NH2 2.62Å; E171-R175 PolarHBondContact OE1-NH2 3.43Å; S173-R175 VanDerWaalsContact C-N 3.3Å; S173-R175 PolarHBondContact O-N 3.43Å; R175-S178 PolarHBondContact O-N 3.37Å; R175-R179 PolarHBondContact O-N 2.75Å |
| 176 | L | 95.6 | Very high | 95.9 | Very high | 24 Ų | 24 | 79.6 Ų | 79.6 | 13% | 0.126 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.7 | -174.1 | 152.8 | 0 | 0 | 0 | 110.9 | L153 E154 M172 S173 S178 R179 E180 | L153-L176 HydrophobicContact CB-CD1 4.3Å; E154-L176 HydrophobicContact CG-CD1 3.46Å; E154-L176 VanDerWaalsContact CG-CD1 3.46Å; M172-L176 WeakPolarHBondContact O-CB 3.38Å; M172-L176 PolarHBondContact O-N 3.05Å; S173-L176 PolarHBondContact O-N 2.95Å; S173-L176 VanDerWaalsContact O-N 3.17Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 3.47Å; L176-R179 WeakPolarHBondContact O-CB 3.2Å; L176-R179 PolarHBondContact O-N 2.98Å; L176-R179 VanDerWaalsContact O-N 3.13Å; L176-E180 HydrophobicContact CD2-CG 3.92Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.34Å; L176-E180 WeakPolarHBondContact O-CG 3.45Å; L176-E180 PolarHBondContact O-N 2.88Å |
| 177 | A | 96.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 76.7 Ų | 76.7 | 40% | 0.397 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S173 R179 E180 M181 | S173-A177 WeakPolarHBondContact O-CB 3.3Å; S173-A177 PolarHBondContact O-N 3.42Å; A177-R179 PolarHBondContact O-N 2.8Å; A177-E180 PolarHBondContact O-N 3.42Å; A177-M181 VanDerWaalsContact O-CB 3.31Å; A177-M181 WeakPolarHBondContact O-CB 3.18Å; A177-M181 PolarHBondContact O-N 2.88Å |
| 178 | S | 96.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 73.5 Ų | 73.5 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | D174 R175 L176 A182 | D174-S178 WeakPolarHBondContact O-CB 3.44Å; D174-S178 PolarHBondContact O-N 3.02Å; D174-S178 PolarHBondContact O-OG 3.37Å; R175-S178 PolarHBondContact O-N 3.37Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 3.47Å; S178-A182 PolarHBondContact O-N 2.87Å |
| 179 | R | 95.6 | Very high | 95.5 | Very high | 150 Ų | 150 | 70.5 Ų | 70.5 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66 | -46.6 | 177.5 | -177.4 | -175.1 | 176.5 | -156.7 | -1.2 | 111.5 | R175 L176 A177 M181 A182 V183 | R175-R179 PolarHBondContact O-N 2.75Å; L176-R179 WeakPolarHBondContact O-CB 3.2Å; L176-R179 PolarHBondContact O-N 2.98Å; L176-R179 VanDerWaalsContact O-N 3.13Å; A177-R179 PolarHBondContact O-N 2.8Å; R179-M181 VanDerWaalsContact C-N 3.34Å; R179-M181 PolarHBondContact O-N 3.14Å; R179-A182 WeakPolarHBondContact O-CB 3.38Å; R179-A182 PolarHBondContact O-N 3.35Å; R179-V183 WeakPolarHBondContact O-CG2 3.18Å; R179-V183 PolarHBondContact O-N 3.43Å |
| 180 | E | 93.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 75.1 Ų | 75.1 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 178.4 | -72 | -173.9 | 158.9 | 0 | 0 | 111.6 | L176 A177 A182 V183 Q184 | L176-E180 HydrophobicContact CD2-CG 3.92Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.34Å; L176-E180 WeakPolarHBondContact O-CG 3.45Å; L176-E180 PolarHBondContact O-N 2.88Å; A177-E180 PolarHBondContact O-N 3.42Å; E180-A182 VanDerWaalsContact C-N 3.33Å; E180-A182 PolarHBondContact O-N 3.18Å; E180-V183 WeakPolarHBondContact O-CB 3.34Å; E180-V183 PolarHBondContact O-N 3.37Å; E180-Q184 WeakPolarHBondContact O-CG 3.06Å; E180-Q184 PolarHBondContact O-N 3.07Å |
| 181 | M | 94.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 70.9 Ų | 70.9 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 173.8 | -172.2 | 176.8 | -66.4 | 0 | 0 | 111.3 | A177 R179 V183 Q184 I185 | A177-M181 VanDerWaalsContact O-CB 3.31Å; A177-M181 WeakPolarHBondContact O-CB 3.18Å; A177-M181 PolarHBondContact O-N 2.88Å; R179-M181 VanDerWaalsContact C-N 3.34Å; R179-M181 PolarHBondContact O-N 3.14Å; M181-V183 VanDerWaalsContact C-N 3.32Å; M181-V183 PolarHBondContact O-N 3.33Å; M181-Q184 PolarHBondContact O-N 3.21Å; M181-I185 HydrophobicContact CG-CD1 3.92Å; M181-I185 VanDerWaalsContact O-CD1 3.32Å; M181-I185 WeakPolarHBondContact O-CD1 3.43Å; M181-I185 WeakPolarHBondContact O-CG1 3.12Å; M181-I185 PolarHBondContact O-N 3.39Å |
| 182 | A | 95.9 | Very high | 95.1 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S178 R179 E180 I185 A186 | S178-A182 PolarHBondContact O-N 2.87Å; R179-A182 WeakPolarHBondContact O-CB 3.38Å; R179-A182 PolarHBondContact O-N 3.35Å; E180-A182 VanDerWaalsContact C-N 3.33Å; E180-A182 PolarHBondContact O-N 3.18Å; A182-I185 PolarHBondContact O-N 3.18Å; A182-A186 PolarHBondContact O-N 3.37Å |
| 183 | V | 93.9 | Very high | 95 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.1 | R179 E180 M181 I185 A186 Q187 | R179-V183 WeakPolarHBondContact O-CG2 3.18Å; R179-V183 PolarHBondContact O-N 3.43Å; E180-V183 WeakPolarHBondContact O-CB 3.34Å; E180-V183 PolarHBondContact O-N 3.37Å; M181-V183 VanDerWaalsContact C-N 3.32Å; M181-V183 PolarHBondContact O-N 3.33Å; V183-I185 VanDerWaalsContact C-N 3.29Å; V183-I185 PolarHBondContact O-N 3.16Å; V183-A186 PolarHBondContact O-N 3.17Å; V183-Q187 HydrophobicContact CG1-CG 4.41Å; V183-Q187 WeakPolarHBondContact O-CG 3.45Å; V183-Q187 PolarHBondContact O-N 3.45Å |
| 184 | Q | 93.9 | Very high | 94.9 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 176 | -71.5 | 178.2 | -11.1 | 0 | 0 | 111.4 | F133 E180 M181 Q187 A188 | F133-Q184 HydrophobicContact CD1-CB 4.01Å; F133-Q184 VanDerWaalsContact CE1-C 3.49Å; F133-Q184 HydrophobicContact CE1-CB 3.82Å; F133-Q184 WeakPolarHBondContact CE1-O 3.47Å; E180-Q184 WeakPolarHBondContact O-CG 3.06Å; E180-Q184 PolarHBondContact O-N 3.07Å; M181-Q184 PolarHBondContact O-N 3.21Å; Q184-Q187 PolarHBondContact O-N 3.17Å; Q184-A188 VanDerWaalsContact O-CB 3.29Å; Q184-A188 WeakPolarHBondContact O-CB 3.29Å; Q184-A188 PolarHBondContact O-N 3.47Å |
| 185 | I | 95.4 | Very high | 94.8 | Very high | 48 Ų | 48 | 71.1 Ų | 71.1 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.1 | -67.6 | 161.1 | 0 | 0 | 0 | 110.9 | W126 L129 F133 M181 A182 V183 A188 A189 | W126-I185 HydrophobicContact CH2-CB 4.26Å; W126-I185 HydrophobicContact CH2-CD1 3.43Å; W126-I185 VanDerWaalsContact CH2-CD1 3.43Å; W126-I185 HydrophobicContact CH2-CG1 3.44Å; W126-I185 VanDerWaalsContact CH2-CG1 3.44Å; W126-I185 HydrophobicContact CH2-CG2 3.78Å; W126-I185 HydrophobicContact CZ2-CD1 3.76Å; W126-I185 HydrophobicContact CZ2-CG1 3.99Å; W126-I185 HydrophobicContact CZ3-CG1 4.4Å; W126-I185 HydrophobicContact CZ3-CG2 4.1Å; L129-I185 HydrophobicContact CD2-CB 4.48Å; L129-I185 HydrophobicContact CD2-CG2 3.83Å; F133-I185 HydrophobicContact CE1-CG1 4.29Å; F133-I185 HydrophobicContact CZ-CG1 3.98Å; M181-I185 HydrophobicContact CG-CD1 3.92Å; M181-I185 VanDerWaalsContact O-CD1 3.32Å; M181-I185 WeakPolarHBondContact O-CD1 3.43Å; M181-I185 WeakPolarHBondContact O-CG1 3.12Å; M181-I185 PolarHBondContact O-N 3.39Å; A182-I185 PolarHBondContact O-N 3.18Å; V183-I185 VanDerWaalsContact C-N 3.29Å; V183-I185 PolarHBondContact O-N 3.16Å; I185-A188 PolarHBondContact O-N 2.95Å; I185-A189 WeakPolarHBondContact O-CB 3.44Å; I185-A189 PolarHBondContact O-N 3.31Å |
| 186 | A | 95.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 68.4 Ų | 68.4 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | A182 V183 A188 A189 D190 | A182-A186 PolarHBondContact O-N 3.37Å; V183-A186 PolarHBondContact O-N 3.17Å; A186-A188 VanDerWaalsContact C-N 3.31Å; A186-A188 PolarHBondContact O-N 3.32Å; A186-A189 WeakPolarHBondContact O-CB 3.47Å; A186-A189 PolarHBondContact O-N 3.43Å; A186-A189 VanDerWaalsContact O-N 3.09Å; A186-D190 PolarHBondContact O-N 3.02Å |
| 187 | Q | 93.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 35% | 0.346 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 177.8 | -70.5 | 175.8 | 2.1 | 0 | 0 | 112.5 | V183 Q184 A189 D190 C191 | V183-Q187 HydrophobicContact CG1-CG 4.41Å; V183-Q187 WeakPolarHBondContact O-CG 3.45Å; V183-Q187 PolarHBondContact O-N 3.45Å; Q184-Q187 PolarHBondContact O-N 3.17Å; Q187-A189 VanDerWaalsContact C-N 3.34Å; Q187-D190 PolarHBondContact O-N 3.48Å; Q187-C191 WeakPolarHBondContact O-CB 3.25Å; Q187-C191 PolarHBondContact O-N 3.39Å; Q187-C191 PolarHBondContact O-SG 3.43Å |
| 188 | A | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.017 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L129 F133 Q184 I185 A186 C191 R192 | L129-A188 HydrophobicContact CD1-CB 3.71Å; L129-A188 HydrophobicContact CD2-CB 4.32Å; L129-A188 HydrophobicContact CG-CB 3.68Å; F133-A188 HydrophobicContact CD1-CB 3.71Å; F133-A188 HydrophobicContact CE1-CB 3.68Å; Q184-A188 VanDerWaalsContact O-CB 3.29Å; Q184-A188 WeakPolarHBondContact O-CB 3.29Å; Q184-A188 PolarHBondContact O-N 3.47Å; I185-A188 PolarHBondContact O-N 2.95Å; A186-A188 VanDerWaalsContact C-N 3.31Å; A186-A188 PolarHBondContact O-N 3.32Å; A188-C191 WeakPolarHBondContact O-CB 3.37Å; A188-C191 PolarHBondContact O-N 3.39Å; A188-R192 PolarHBondContact O-N 3.36Å |
| 189 | A | 94.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 78.1 Ų | 78.1 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | L129 I185 A186 Q187 C191 R192 D193 | L129-A189 HydrophobicContact CD1-CB 4.23Å; I185-A189 WeakPolarHBondContact O-CB 3.44Å; I185-A189 PolarHBondContact O-N 3.31Å; A186-A189 WeakPolarHBondContact O-CB 3.47Å; A186-A189 PolarHBondContact O-N 3.43Å; A186-A189 VanDerWaalsContact O-N 3.09Å; Q187-A189 VanDerWaalsContact C-N 3.34Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 3.5Å; A189-R192 WeakPolarHBondContact O-CB 3.37Å; A189-R192 PolarHBondContact O-N 3.37Å; A189-D193 WeakPolarHBondContact O-CB 3.18Å; A189-D193 PolarHBondContact O-N 3.46Å |
| 190 | D | 93.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 77 Ų | 77 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.4 | -43 | 174.4 | -68.3 | -23.5 | 0 | 0 | 0 | 111.5 | A186 Q187 D193 F194 | A186-D190 PolarHBondContact O-N 3.02Å; Q187-D190 PolarHBondContact O-N 3.48Å; D190-D193 PolarHBondContact O-N 2.97Å; D190-F194 WeakPolarHBondContact O-CB 3.49Å; D190-F194 PolarHBondContact O-N 3.39Å |
| 191 | C | 92.4 | Very high | 95 | Very high | 37 Ų | 37 | 75.7 Ų | 75.7 | 25% | 0.25 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.6 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | Y132 Q187 A188 A189 F194 V195 | Y132-C191 HydrophobicContact CD1-CB 3.93Å; Y132-C191 HydrophobicContact CG-CB 4.19Å; Q187-C191 WeakPolarHBondContact O-CB 3.25Å; Q187-C191 PolarHBondContact O-N 3.39Å; Q187-C191 PolarHBondContact O-SG 3.43Å; A188-C191 WeakPolarHBondContact O-CB 3.37Å; A188-C191 PolarHBondContact O-N 3.39Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 3.5Å; C191-F194 PolarHBondContact O-N 3.45Å; C191-V195 WeakPolarHBondContact O-CG2 3.45Å; C191-V195 PolarHBondContact O-N 3.49Å |
| 192 | R | 94.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 76.5 Ų | 76.5 | 18% | 0.181 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 178.6 | -175.2 | -162.5 | 64.5 | -170.1 | -4.6 | 110.9 | H125 Y132 A188 A189 F194 V195 H196 | H125-R192 PolarHBondContact CD2-NH1 3.18Å; H125-R192 PolarHBondContact NE2-NH1 3.09Å; Y132-R192 HydrophobicContact CD2-CB 4.08Å; Y132-R192 HydrophobicContact CE2-CB 3.78Å; Y132-R192 HydrophobicContact CE2-CG 3.86Å; A188-R192 PolarHBondContact O-N 3.36Å; A189-R192 WeakPolarHBondContact O-CB 3.37Å; A189-R192 PolarHBondContact O-N 3.37Å; R192-F194 VanDerWaalsContact C-N 3.3Å; R192-F194 PolarHBondContact O-N 3.18Å; R192-V195 PolarHBondContact O-N 2.88Å; R192-V195 VanDerWaalsContact O-N 3.17Å; R192-H196 PolarHBondContact O-CD2 3.48Å; R192-H196 PolarHBondContact O-N 3.28Å |
| 193 | D | 94.9 | Very high | 95 | Very high | 58 Ų | 58 | 76.6 Ų | 76.6 | 31% | 0.31 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | -177.8 | -69.1 | 3 | 0 | 0 | 0 | 111.1 | A189 D190 H196 R197 | A189-D193 WeakPolarHBondContact O-CB 3.18Å; A189-D193 PolarHBondContact O-N 3.46Å; D190-D193 PolarHBondContact O-N 2.97Å; D193-H196 PolarHBondContact O-N 3.09Å; D193-R197 WeakPolarHBondContact O-CB 3.43Å; D193-R197 WeakPolarHBondContact O-CG 3.42Å; D193-R197 PolarHBondContact O-N 3.12Å |
| 194 | F | 95.1 | Very high | 95.1 | Very high | 123 Ų | 123 | 78.6 Ų | 78.6 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 171.8 | 177.7 | -96.2 | 0 | 0 | 0 | 112.3 | D190 C191 R192 R197 K198 | D190-F194 WeakPolarHBondContact O-CB 3.49Å; D190-F194 PolarHBondContact O-N 3.39Å; C191-F194 PolarHBondContact O-N 3.45Å; R192-F194 VanDerWaalsContact C-N 3.3Å; R192-F194 PolarHBondContact O-N 3.18Å; F194-R197 PolarHBondContact O-N 3.47Å; F194-K198 HydrophobicContact CD1-CG 4.17Å; F194-K198 HydrophobicContact CD2-CG 4.5Å; F194-K198 HydrophobicContact CE1-CG 3.76Å; F194-K198 HydrophobicContact CE2-CD 4.48Å; F194-K198 HydrophobicContact CE2-CG 4.12Å; F194-K198 HydrophobicContact CZ-CD 4.12Å; F194-K198 HydrophobicContact CZ-CG 3.73Å; F194-K198 WeakPolarHBondContact O-CB 3.38Å; F194-K198 WeakPolarHBondContact O-CG 3.44Å; F194-K198 PolarHBondContact O-N 3.25Å |
| 195 | V | 94.4 | Very high | 95 | Very high | 49 Ų | 49 | 80.3 Ų | 80.3 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.9 | 170.3 | 0 | 0 | 0 | 0 | 111 | Y132 C191 R192 K198 Q199 | Y132-V195 HydrophobicContact CE1-CG2 4.17Å; C191-V195 WeakPolarHBondContact O-CG2 3.45Å; C191-V195 PolarHBondContact O-N 3.49Å; R192-V195 PolarHBondContact O-N 2.88Å; R192-V195 VanDerWaalsContact O-N 3.17Å; V195-K198 PolarHBondContact O-N 3.25Å; V195-Q199 WeakPolarHBondContact O-CG 3.37Å; V195-Q199 PolarHBondContact O-N 3.23Å |
| 196 | H | 94.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 80.1 Ų | 80.1 | 35% | 0.347 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 175.5 | -77 | -63.5 | 0 | 0 | 0 | 112 | R192 D193 K198 Q199 E200 | R192-H196 PolarHBondContact O-CD2 3.48Å; R192-H196 PolarHBondContact O-N 3.28Å; D193-H196 PolarHBondContact O-N 3.09Å; H196-K198 VanDerWaalsContact C-N 3.26Å; H196-K198 PolarHBondContact O-N 3.01Å; H196-Q199 PolarHBondContact O-N 3.23Å; H196-Q199 VanDerWaalsContact O-N 3.15Å; H196-E200 WeakPolarHBondContact O-CG 3.45Å; H196-E200 PolarHBondContact O-N 2.94Å |
| 197 | R | 96.9 | Very high | 94.6 | Very high | 165 Ų | 165 | 79.8 Ų | 79.8 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57 | -40.5 | 177.2 | -73.1 | 173.6 | -175.7 | -173.3 | 5 | 111.6 | D193 F194 E200 E201 | D193-R197 WeakPolarHBondContact O-CB 3.43Å; D193-R197 WeakPolarHBondContact O-CG 3.42Å; D193-R197 PolarHBondContact O-N 3.12Å; F194-R197 PolarHBondContact O-N 3.47Å; R197-E200 PolarHBondContact O-N 3.23Å; R197-E201 WeakPolarHBondContact O-CB 3.41Å; R197-E201 WeakPolarHBondContact O-CG 3.22Å; R197-E201 PolarHBondContact O-N 2.92Å |
| 198 | K | 96.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 83.6 Ų | 83.6 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 177.5 | -77.2 | -70.4 | 161.6 | -146.9 | 0 | 113 | F194 V195 H196 E201 E202 | F194-K198 HydrophobicContact CD1-CG 4.17Å; F194-K198 HydrophobicContact CD2-CG 4.5Å; F194-K198 HydrophobicContact CE1-CG 3.76Å; F194-K198 HydrophobicContact CE2-CD 4.48Å; F194-K198 HydrophobicContact CE2-CG 4.12Å; F194-K198 HydrophobicContact CZ-CD 4.12Å; F194-K198 HydrophobicContact CZ-CG 3.73Å; F194-K198 WeakPolarHBondContact O-CB 3.38Å; F194-K198 WeakPolarHBondContact O-CG 3.44Å; F194-K198 PolarHBondContact O-N 3.25Å; V195-K198 PolarHBondContact O-N 3.25Å; H196-K198 VanDerWaalsContact C-N 3.26Å; H196-K198 PolarHBondContact O-N 3.01Å; K198-E201 IonicContact NZ-OE1 3.7Å; K198-E201 IonicContact NZ-OE2 2.94Å; K198-E201 PolarHBondContact NZ-OE2 2.68Å; K198-E201 PolarHBondContact O-N 3.29Å; K198-E202 WeakPolarHBondContact O-CB 3.41Å; K198-E202 PolarHBondContact O-N 2.87Å |
| 199 | Q | 96.5 | Very high | 93.8 | Very high | 113 Ų | 113 | 90.6 Ų | 90.6 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.9 | -71.1 | 174.9 | 7.3 | 0 | 0 | 111.6 | V195 H196 E202 A203 | V195-Q199 WeakPolarHBondContact O-CG 3.37Å; V195-Q199 PolarHBondContact O-N 3.23Å; H196-Q199 PolarHBondContact O-N 3.23Å; H196-Q199 VanDerWaalsContact O-N 3.15Å; Q199-E202 PolarHBondContact O-N 2.9Å; Q199-A203 WeakPolarHBondContact O-CB 3.31Å; Q199-A203 PolarHBondContact O-N 3.14Å |
| 200 | E | 96.8 | Very high | 93.1 | Very high | 125 Ų | 125 | 98.7 Ų | 98.7 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63 | -47.1 | 176.5 | -71.5 | 176.3 | 178.7 | 0 | 0 | 111.9 | H196 R197 E202 A203 L204 | H196-E200 WeakPolarHBondContact O-CG 3.45Å; H196-E200 PolarHBondContact O-N 2.94Å; R197-E200 PolarHBondContact O-N 3.23Å; E200-E202 VanDerWaalsContact C-N 3.3Å; E200-E202 PolarHBondContact O-N 2.96Å; E200-A203 PolarHBondContact O-N 3.07Å; E200-L204 WeakPolarHBondContact O-CB 3.34Å; E200-L204 VanDerWaalsContact O-CG 3.3Å; E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 3.01Å |
| 201 | E | 96.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 102.1 Ų | 102.1 | 33% | 0.327 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 174.1 | -78.8 | 178.2 | -165.2 | 0 | 0 | 111.9 | R197 K198 L204 R205 | R197-E201 WeakPolarHBondContact O-CB 3.41Å; R197-E201 WeakPolarHBondContact O-CG 3.22Å; R197-E201 PolarHBondContact O-N 2.92Å; K198-E201 IonicContact NZ-OE1 3.7Å; K198-E201 IonicContact NZ-OE2 2.94Å; K198-E201 PolarHBondContact NZ-OE2 2.68Å; K198-E201 PolarHBondContact O-N 3.29Å; E201-L204 PolarHBondContact O-N 2.84Å; E201-R205 WeakPolarHBondContact O-CG 3.49Å; E201-R205 PolarHBondContact O-N 3.45Å; E201-R205 IonicContact OE2-CZ 3.86Å; E201-R205 IonicContact OE2-NH2 2.89Å; E201-R205 PolarHBondContact OE2-NH2 3.06Å |
| 202 | E | 96.1 | Very high | 91.3 | Very high | 130 Ų | 130 | 108.6 Ų | 108.6 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 178 | -172.1 | 175.4 | -177.7 | 0 | 0 | 111.7 | K198 Q199 E200 L204 R205 A206 | K198-E202 WeakPolarHBondContact O-CB 3.41Å; K198-E202 PolarHBondContact O-N 2.87Å; Q199-E202 PolarHBondContact O-N 2.9Å; E200-E202 VanDerWaalsContact C-N 3.3Å; E200-E202 PolarHBondContact O-N 2.96Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 3.19Å; E202-R205 PolarHBondContact O-N 2.97Å; E202-A206 WeakPolarHBondContact O-CB 3.29Å; E202-A206 PolarHBondContact O-N 2.95Å |
| 203 | A | 95.1 | Very high | 90 | Very high | 60 Ų | 60 | 114 Ų | 114 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q199 E200 A206 A207 | Q199-A203 WeakPolarHBondContact O-CB 3.31Å; Q199-A203 PolarHBondContact O-N 3.14Å; E200-A203 PolarHBondContact O-N 3.07Å; A203-A206 PolarHBondContact O-N 3.5Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 3.01Å |
| 204 | L | 94.3 | Very high | 88.8 | Confident | 115 Ų | 115 | 117 Ų | 117 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 174 | -71.3 | 174.1 | 0 | 0 | 0 | 111.6 | E200 E201 E202 A207 R208 | E200-L204 WeakPolarHBondContact O-CB 3.34Å; E200-L204 VanDerWaalsContact O-CG 3.3Å; E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 3.01Å; E201-L204 PolarHBondContact O-N 2.84Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 3.19Å; L204-A207 PolarHBondContact O-N 3.32Å; L204-R208 WeakPolarHBondContact O-CB 3.47Å; L204-R208 VanDerWaalsContact O-CG 3.26Å; L204-R208 WeakPolarHBondContact O-CG 3.4Å; L204-R208 PolarHBondContact O-N 2.97Å |
| 205 | R | 92.5 | Very high | 87.3 | Confident | 128 Ų | 128 | 115.9 Ų | 115.9 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.4 | -43.3 | 174.6 | -73.4 | -174.7 | -154.9 | 105.5 | 8.7 | 111.3 | E201 E202 R208 K209 | E201-R205 WeakPolarHBondContact O-CG 3.49Å; E201-R205 PolarHBondContact O-N 3.45Å; E201-R205 IonicContact OE2-CZ 3.86Å; E201-R205 IonicContact OE2-NH2 2.89Å; E201-R205 PolarHBondContact OE2-NH2 3.06Å; E202-R205 PolarHBondContact O-N 2.97Å; R205-R208 PolarHBondContact O-N 3.44Å; R205-K209 WeakPolarHBondContact O-CG 3.5Å; R205-K209 PolarHBondContact O-N 3.49Å |
| 206 | A | 91.9 | Very high | 85.8 | Confident | 44 Ų | 44 | 124.9 Ų | 124.9 | 36% | 0.364 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E202 A203 K209 R210 | E202-A206 WeakPolarHBondContact O-CB 3.29Å; E202-A206 PolarHBondContact O-N 2.95Å; A203-A206 PolarHBondContact O-N 3.5Å; A206-K209 PolarHBondContact O-N 3.29Å; A206-R210 WeakPolarHBondContact O-CG 3.46Å; A206-R210 PolarHBondContact O-N 3.49Å |
| 207 | A | 89.9 | Confident | 84.6 | Confident | 42 Ų | 42 | 124 Ų | 124 | 35% | 0.347 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A203 L204 R210 K211 | A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 3.01Å; L204-A207 PolarHBondContact O-N 3.32Å; A207-R210 PolarHBondContact O-N 2.94Å; A207-K211 WeakPolarHBondContact O-CG 3.4Å; A207-K211 PolarHBondContact O-N 3.43Å |
| 208 | R | 87.1 | Confident | 82.9 | Confident | 154 Ų | 154 | 125.2 Ų | 125.2 | 58% | 0.581 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -41.3 | 174 | -71.7 | 175 | 85.7 | -175.3 | 7.8 | 111.7 | L204 R205 K211 R212 | L204-R208 WeakPolarHBondContact O-CB 3.47Å; L204-R208 VanDerWaalsContact O-CG 3.26Å; L204-R208 WeakPolarHBondContact O-CG 3.4Å; L204-R208 PolarHBondContact O-N 2.97Å; R205-R208 PolarHBondContact O-N 3.44Å; R208-K211 PolarHBondContact O-N 3Å; R208-R212 WeakPolarHBondContact O-CB 3.47Å; R208-R212 VanDerWaalsContact O-CG 3.23Å; R208-R212 WeakPolarHBondContact O-CG 3.4Å; R208-R212 PolarHBondContact O-N 3.37Å |
| 209 | K | 85 | Confident | 81.5 | Confident | 149 Ų | 149 | 129.8 Ų | 129.8 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.3 | -45.4 | 174.9 | -74.5 | 177.7 | 179.5 | -177.9 | 0 | 111.5 | R205 A206 R212 Q213 | R205-K209 WeakPolarHBondContact O-CG 3.5Å; R205-K209 PolarHBondContact O-N 3.49Å; A206-K209 PolarHBondContact O-N 3.29Å; K209-R212 PolarHBondContact O-N 2.97Å; K209-Q213 PolarHBondContact O-N 3.37Å; K209-Q213 VanDerWaalsContact O-N 3.1Å |
| 210 | R | 80.4 | Confident | 80.1 | Confident | 197 Ų | 197 | 127.6 Ų | 127.6 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61 | -44.6 | 175.2 | -73.3 | -176.8 | -180 | 170.8 | 1.3 | 112.5 | A206 A207 R212 Q213 | A206-R210 WeakPolarHBondContact O-CG 3.46Å; A206-R210 PolarHBondContact O-N 3.49Å; A207-R210 PolarHBondContact O-N 2.94Å; R210-R212 PolarHBondContact O-N 3.18Å; R210-Q213 PolarHBondContact O-N 3.16Å; R210-Q213 VanDerWaalsContact O-N 3.16Å |
| 211 | K | 77.2 | Confident | 78.8 | Confident | 181 Ų | 181 | 127.9 Ų | 127.9 | 79% | 0.787 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.4 | -29.4 | 175.6 | -71.8 | 178.6 | -178.9 | -174.4 | 0 | 113.2 | A207 R208 | A207-K211 WeakPolarHBondContact O-CG 3.4Å; A207-K211 PolarHBondContact O-N 3.43Å; R208-K211 PolarHBondContact O-N 3Å |
| 212 | R | 70.6 | Confident | 77.7 | Confident | 173 Ų | 173 | 130 Ų | 130 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.2 | -11.8 | 177.6 | -71.3 | 173 | -177.7 | -170.8 | -1 | 113.5 | R208 K209 R210 I214 | R208-R212 WeakPolarHBondContact O-CB 3.47Å; R208-R212 VanDerWaalsContact O-CG 3.23Å; R208-R212 WeakPolarHBondContact O-CG 3.4Å; R208-R212 PolarHBondContact O-N 3.37Å; K209-R212 PolarHBondContact O-N 2.97Å; R210-R212 PolarHBondContact O-N 3.18Å; R212-I214 PolarHBondContact O-N 2.99Å |
| 213 | Q | 68.1 | Low | 76 | Confident | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | trans | -73.2 | 86.8 | 168.7 | -75 | -171.2 | -29.2 | 0 | 0 | 108.2 | K209 R210 | K209-Q213 PolarHBondContact O-N 3.37Å; K209-Q213 VanDerWaalsContact O-N 3.1Å; R210-Q213 PolarHBondContact O-N 3.16Å; R210-Q213 VanDerWaalsContact O-N 3.16Å | ||
| 214 | I | 68.8 | Low | 74.7 | Confident | 121 Ų | 121 | 141.2 Ų | 141.2 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | trans | -67.5 | 132.9 | 171.8 | -61.3 | 164.5 | 0 | 0 | 0 | 107.3 | R212 W216 | R212-I214 PolarHBondContact O-N 2.99Å; I214-W216 HydrophobicContact CG2-CB 4.05Å; I214-W216 HydrophobicContact CG2-CD2 4.1Å; I214-W216 HydrophobicContact CG2-CG 3.54Å; I214-W216 PolarHBondContact O-N 2.99Å | ||
| 215 | A | 64.8 | Low | 73.4 | Confident | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 14.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G217 | A215-G217 PolarHBondContact O-N 3.47Š|
| 216 | W | 62.1 | Low | 72 | Confident | 238 Ų | 238 | 138.3 Ų | 138.3 | 90% | 0.902 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 11 | -177.2 | -58.8 | 20.2 | 0 | 0 | 0 | 111.6 | I214 | I214-W216 HydrophobicContact CG2-CB 4.05Å; I214-W216 HydrophobicContact CG2-CD2 4.1Å; I214-W216 HydrophobicContact CG2-CG 3.54Å; I214-W216 PolarHBondContact O-N 2.99Å |
| 217 | G | 68.8 | Low | 70.7 | Confident | 56 Ų | 56 | 144.8 Ų | 144.8 | 58% | 0.577 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -63.4 | 141.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A215 E219 | A215-G217 PolarHBondContact O-N 3.47Å; G217-E219 PolarHBondContact O-N 3Å |
| 218 | F | 61.5 | Low | 69.2 | Low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | trans | -47.6 | 104.9 | 176.7 | 179.3 | -99.7 | 0 | 0 | 0 | 111.2 | A220 | F218-A220 HydrophobicContact CD1-CB 4.32Å; F218-A220 HydrophobicContact CE1-CB 3.94Å; F218-A220 PolarHBondContact O-N 3.48Å | ||
| 219 | E | 68.4 | Low | 67.9 | Low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -72.8 | 110.9 | 165.9 | -171.7 | 169.4 | -159.3 | 0 | 0 | 106.4 | G217 K221 | G217-E219 PolarHBondContact O-N 3Å; E219-K221 VanDerWaalsContact C-N 3.28Å; E219-K221 PolarHBondContact O-N 3.3Å | ||
| 220 | A | 66 | Low | 66.9 | Low | 67 Ų | 67 | 147.9 Ų | 147.9 | 55% | 0.554 | 71% | 0.706 | S | S | * | * | trans | -65.6 | 93.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | F218 Q222 | F218-A220 HydrophobicContact CD1-CB 4.32Å; F218-A220 HydrophobicContact CE1-CB 3.94Å; F218-A220 PolarHBondContact O-N 3.48Å; A220-Q222 PolarHBondContact O-N 2.88Å | ||
| 221 | K | 71.1 | Confident | 66 | Low | 132 Ų | 132 | 141.8 Ų | 141.8 | 57% | 0.574 | 70% | 0.704 | S | S | * | * | trans | -55 | 131.9 | 176.9 | -148.2 | 171.5 | -171.2 | 173.2 | 0 | 108.8 | E219 E225 T226 | E219-K221 VanDerWaalsContact C-N 3.28Å; E219-K221 PolarHBondContact O-N 3.3Å; K221-E225 HydrophobicContact CD-CB 4.24Å; K221-E225 HydrophobicContact CG-CB 3.8Å; K221-E225 WeakPolarHBondContact CG-OE2 3.44Å; K221-T226 HydrophobicContact CB-CG2 4.21Å; K221-T226 HydrophobicContact CD-CG2 4.24Å | ||
| 222 | Q | 72 | Confident | 64.9 | Low | 115 Ų | 115 | 143.6 Ų | 143.6 | 54% | 0.537 | 71% | 0.712 | S | S | . | * | trans | -64.2 | 148.2 | -176.4 | -67.7 | -68 | -25 | 0 | 0 | 109.9 | A220 W224 E225 T226 | A220-Q222 PolarHBondContact O-N 2.88Å; Q222-W224 HydrophobicContact CB-CD2 4.4Å; Q222-W224 HydrophobicContact CB-CG 4.32Å; Q222-W224 HydrophobicContact CB-CZ2 4.25Å; Q222-W224 PolarHBondContact O-N 3.41Å; Q222-E225 HydrophobicContact CB-CG 4.36Å; Q222-E225 PolarHBondContact N-OE2 2.93Å; Q222-E225 WeakPolarHBondContact O-CB 3.44Å; Q222-E225 PolarHBondContact O-N 3.06Å; Q222-T226 PolarHBondContact O-N 3.16Å; Q222-T226 PolarHBondContact O-OG1 2.98Å | ||
| 223 | R | 59.8 | Low | 63.8 | Low | 234 Ų | 234 | 148 Ų | 148 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -26.9 | -175 | -84.5 | 179.8 | 164.6 | 138.8 | -4.2 | 114 | ||
| 224 | W | 67.8 | Low | 63.6 | Low | 191 Ų | 191 | 147.4 Ų | 147.4 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -16.4 | 178 | 57 | -93.7 | 0 | 0 | 0 | 113.4 | Q222 | Q222-W224 HydrophobicContact CB-CD2 4.4Å; Q222-W224 HydrophobicContact CB-CG 4.32Å; Q222-W224 HydrophobicContact CB-CZ2 4.25Å; Q222-W224 PolarHBondContact O-N 3.41Å |
| 225 | E | 68.8 | Low | 63.4 | Low | 85 Ų | 85 | 148.8 Ų | 148.8 | 40% | 0.397 | 75% | 0.749 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | -20.5 | 179.7 | -64.9 | 177.4 | 150.6 | 0 | 0 | 113.2 | K221 Q222 | K221-E225 HydrophobicContact CD-CB 4.24Å; K221-E225 HydrophobicContact CG-CB 3.8Å; K221-E225 WeakPolarHBondContact CG-OE2 3.44Å; Q222-E225 HydrophobicContact CB-CG 4.36Å; Q222-E225 PolarHBondContact N-OE2 2.93Å; Q222-E225 WeakPolarHBondContact O-CB 3.44Å; Q222-E225 PolarHBondContact O-N 3.06Å |
| 226 | T | 61.2 | Low | 63.3 | Low | 97 Ų | 97 | 151.5 Ų | 151.5 | 60% | 0.595 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -87.9 | -14.7 | -179.8 | 16.1 | 0 | 0 | 0 | 0 | 113.2 | K221 Q222 S228 | K221-T226 HydrophobicContact CB-CG2 4.21Å; K221-T226 HydrophobicContact CD-CG2 4.24Å; Q222-T226 PolarHBondContact O-N 3.16Å; Q222-T226 PolarHBondContact O-OG1 2.98Å; T226-S228 PolarHBondContact O-N 3.34Å |
| 227 | K | 65.3 | Low | 63.4 | Low | 179 Ų | 179 | 146.4 Ų | 146.4 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -103 | 72.5 | 179.9 | -157.5 | 171.1 | -179.5 | 72.8 | 0 | 110.6 | ||
| 228 | S | 58.3 | Low | 63 | Low | 74 Ų | 74 | 152.1 Ų | 152.1 | 52% | 0.517 | 75% | 0.746 | S | S | . | * | trans | 45.4 | 101.2 | 140.7 | -169.1 | 0 | 0 | 0 | 0 | 117.8 | T226 M230 | T226-S228 PolarHBondContact O-N 3.34Å; S228-M230 PolarHBondContact O-N 3.29Å; S228-M230 WeakPolarHBondContact OG-CB 3.44Å; S228-M230 WeakPolarHBondContact OG-CG 3.13Å; S228-M230 PolarHBondContact OG-N 2.62Å | ||
| 229 | N | 59.3 | Low | 63.1 | Low | 170 Ų | 170 | 149.4 Ų | 149.4 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -62.2 | 70.7 | 145.7 | -171.8 | 35.5 | 0 | 0 | 0 | 109.8 | ||||
| 230 | M | 64.8 | Low | 62.8 | Low | 167 Ų | 167 | 147.4 Ų | 147.4 | 82% | 0.823 | 73% | 0.733 | S | S | * | * | trans | -122.6 | 108.9 | 168.1 | -82.7 | -170.4 | 62.8 | 0 | 0 | 108.3 | S228 | S228-M230 PolarHBondContact O-N 3.29Å; S228-M230 WeakPolarHBondContact OG-CB 3.44Å; S228-M230 WeakPolarHBondContact OG-CG 3.13Å; S228-M230 PolarHBondContact OG-N 2.62Å | ||
| 231 | G | 60.9 | Low | 62.5 | Low | 68 Ų | 68 | 153.6 Ų | 153.6 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 114.3 | 69.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 232 | F | 55.9 | Low | 61.8 | Low | 219 Ų | 219 | 155.4 Ų | 155.4 | 96% | 0.961 | 76% | 0.761 | S | S | * | * | trans | -136.5 | 80.2 | 143.1 | -118.3 | -88.5 | 0 | 0 | 0 | 107 | ||||
| 233 | M | 47.6 | Very low | 60.9 | Low | 266 Ų | 266 | 159.1 Ų | 159.1 | 100% | 1.31 | 78% | 0.782 | S | S | * | * | trans | -127.3 | 0 | 161.9 | -94.5 | -174.2 | 149.6 | 0 | 0 | 106.9 |
Retrieved 233 of 233 residues in 220.1 ms
(Link to these results)