| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 36.5 | Very low | 235 Ų | 235 | 167.9 Ų | 167.9 | 100% | 1.158 | 79% | 0.794 | S | S | * | * | 0 | 123.4 | 0 | -60.9 | -180 | -169.9 | 0 | 0 | 105.7 | |||||
| 2 | Q | 33 | Very low | 36.4 | Very low | 162 Ų | 162 | 163 Ų | 163 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | 49.4 | 122.4 | 91.1 | -68.3 | -163.9 | 27.5 | 0 | 0 | 112.2 | |||||
| 3 | K | 38 | Very low | 36.5 | Very low | 160 Ų | 160 | 162.9 Ų | 162.9 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | cis | -149.4 | 150.8 | 6.3 | -104.9 | 157.7 | 179.8 | 167.6 | 0 | 112.1 | ||||
| 4 | E | 34.6 | Very low | 36.1 | Very low | 164 Ų | 164 | 163.4 Ų | 163.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -9.2 | 131.8 | 135.8 | -59.8 | 158.5 | 117.8 | 0 | 0 | 116.9 | ||||
| 5 | F | 40.7 | Very low | 35.7 | Very low | 217 Ų | 217 | 162.3 Ų | 162.3 | 95% | 0.952 | 77% | 0.772 | S | S | * | * | -150.3 | 119.7 | 128 | -114.7 | -73.1 | 0 | 0 | 0 | 110.7 | |||||
| 6 | N | 36.4 | Very low | 35.6 | Very low | 143 Ų | 143 | 163.2 Ų | 163.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -143.7 | -178.9 | 171.2 | -153.1 | 16.5 | 0 | 0 | 0 | 103.8 | ||||
| 7 | P | 44.8 | Very low | 35.4 | Very low | 90 Ų | 90 | 160.5 Ų | 160.5 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | cis | -117.4 | -163.2 | -26.9 | 22.2 | 0.5 | 0 | 0 | 0 | 111 | ||||
| 8 | I | 34 | Very low | 35.2 | Very low | 138 Ų | 138 | 158.9 Ų | 158.9 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | 164.7 | 145.1 | 114.3 | -86.8 | 158.2 | 0 | 0 | 0 | 114.6 | |||||
| 9 | H | 36.2 | Very low | 35 | Very low | 162 Ų | 162 | 159.8 Ų | 159.8 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | 63.9 | 91.8 | 165 | -73 | -44.6 | 0 | 0 | 0 | 122.3 | ||||
| 10 | H | 36 | Very low | 34.8 | Very low | 171 Ų | 171 | 158.6 Ų | 158.6 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | 62.6 | 115.5 | 104.3 | -96.7 | -84.9 | 0 | 0 | 0 | 121.9 | |||||
| 11 | Y | 30.5 | Very low | 34.8 | Very low | 205 Ų | 205 | 160.2 Ų | 160.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -45.6 | 158.1 | 137.1 | -72.6 | -110.3 | 0 | 0 | 0 | 111.4 | ||||
| 12 | D | 35.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | -173.9 | 169.8 | 56.8 | -157.7 | -6 | 0 | 0 | 0 | 114.1 | |||||
| 13 | K | 36.9 | Very low | 34.7 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | trans | 53.9 | 113.8 | 163.5 | -76.8 | 134.9 | -168.9 | 154 | 0 | 118.7 | ||||
| 14 | Q | 31.7 | Very low | 34.6 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | 80.1 | 134.7 | 67.9 | -78.7 | -154.5 | 9.8 | 0 | 0 | 115.7 | |||||
| 15 | L | 29.1 | Very low | 34.8 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 27.5 | 113.6 | 161.6 | -70.7 | 87 | 0 | 0 | 0 | 119.2 | ||||
| 16 | I | 35.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | trans | -148 | 149.3 | 133.6 | -101.4 | 144.3 | 0 | 0 | 0 | 109 | ||||
| 17 | T | 31.9 | Very low | 35 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | -97.6 | 164.9 | -178.2 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 18 | N | 31 | Very low | 34.8 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 90.2 | 118.8 | 167 | -60.8 | -72 | 0 | 0 | 0 | 120 | ||||
| 19 | K | 32.5 | Very low | 35.2 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 67.9 | 123.6 | 130.2 | -71.5 | -179 | 176.1 | 174.4 | 0 | 121.8 | ||||
| 20 | N | 31.3 | Very low | 35.4 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 70.2 | 87.5 | 130.8 | -59.1 | 9.1 | 0 | 0 | 0 | 119.9 | ||||
| 21 | H | 33.8 | Very low | 35.6 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -157.1 | 151.2 | 142.1 | -88 | -55.7 | 0 | 0 | 0 | 108.7 | ||||
| 22 | S | 36.3 | Very low | 36.2 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -153.7 | 147.3 | -19.8 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 23 | N | 32.8 | Very low | 36.5 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -67.1 | 141.2 | 165.8 | -86.8 | -13.7 | 0 | 0 | 0 | 109.9 | ||||
| 24 | N | 35.7 | Very low | 36.7 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -144.7 | 87.2 | 167.5 | -110.5 | -11.2 | 0 | 0 | 0 | 109.4 | ||||
| 25 | N | 39.2 | Very low | 37.2 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -163.1 | 106.9 | 147.8 | -113.7 | -40.4 | 0 | 0 | 0 | 112.7 | ||||
| 26 | S | 41.1 | Very low | 37.8 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | 57.3 | 100.6 | 125.8 | -51.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 27 | N | 40.3 | Very low | 38 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 91.2 | 134.2 | 133.8 | -54.6 | -21.4 | 0 | 0 | 0 | 121.4 | ||||
| 28 | N | 39.3 | Very low | 38.3 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 89.6 | 152.4 | -66.9 | -7.6 | 0 | 0 | 0 | 121.5 | ||||
| 29 | S | 42 | Very low | 38.6 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 98.8 | 139.3 | 113.7 | 79.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 30 | N | 41.8 | Very low | 38.9 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 90.8 | 150.2 | -62.5 | -24.4 | 0 | 0 | 0 | 121.6 | ||||
| 31 | R | 39.9 | Very low | 39.3 | Very low | 232 Ų | 232 | 134.1 Ų | 134.1 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | 93.8 | 108.3 | 117.1 | -118.7 | -179.5 | -178 | 161.7 | 0.3 | 121 | |||||
| 32 | S | 43.2 | Very low | 39.5 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | 76.2 | 126.6 | 129.5 | 53.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 33 | N | 40.9 | Very low | 39.9 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 76.2 | 106.6 | 144.2 | -61.5 | 9 | 0 | 0 | 0 | 117.2 | ||||
| 34 | S | 42.7 | Very low | 40.3 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | 80.6 | 139.3 | 66.6 | 77.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 35 | N | 40.4 | Very low | 41 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -166.3 | 168.8 | 5.3 | -128.5 | -6.1 | 0 | 0 | 0 | 111.2 | ||||
| 36 | V | 42.4 | Very low | 41 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | 57.8 | 103.5 | 151.4 | 174.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 37 | S | 38.7 | Very low | 41.4 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | 67.1 | 120.8 | 78.9 | -57.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 38 | G | 39.5 | Very low | 41.2 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | 173.1 | 133 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 39 | S | 38 | Very low | 41.4 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -125.8 | 170.2 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 40 | L | 38.7 | Very low | 41.4 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 97.8 | 119.3 | 153.7 | -138.6 | 73.7 | 0 | 0 | 0 | 118.5 | ||||
| 41 | L | 38.9 | Very low | 41.3 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 52.5 | 119.1 | 149.2 | -67.4 | 168.7 | 0 | 0 | 0 | 122.7 | ||||
| 42 | T | 38.5 | Very low | 41.3 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 24.3 | 151.4 | 132 | 58.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 43 | P | 44.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -137.8 | -163.4 | 22.9 | 40.1 | -19.1 | 0 | 0 | 0 | 116 | ||||
| 44 | H | 40.9 | Very low | 41.6 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -69.1 | 165.8 | -176.1 | -54.7 | -85.1 | 0 | 0 | 0 | 116.2 | ||||
| 45 | P | 49.7 | Very low | 41.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -118.5 | 148.9 | 128.6 | 35.9 | -31.5 | 0 | 0 | 0 | 113 | |||||
| 46 | I | 39.2 | Very low | 41.8 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 139.5 | 169 | -66.5 | 167.8 | 0 | 0 | 0 | 108.6 | ||||
| 47 | V | 50.2 | Low | 42 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -117.8 | 125.2 | 170.8 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 48 | T | 36.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -111.2 | 172.5 | 176.9 | -46.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 49 | I | 42.2 | Very low | 42.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 81.9 | 137.5 | 172.3 | -50.9 | 155.8 | 0 | 0 | 0 | 112.2 | ||||
| 50 | A | 42.2 | Very low | 42.3 | Very low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | -131.3 | 165.8 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 51 | T | 41.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -75.4 | 153.6 | 163.2 | 47.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 52 | N | 39.3 | Very low | 43.3 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -144.7 | 140.7 | 141.7 | -144.4 | -18.2 | 0 | 0 | 0 | 110 | ||||
| 53 | H | 42 | Very low | 44.1 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -122.8 | 65.2 | -156 | -166.7 | -40.2 | 0 | 0 | 0 | 113.1 | ||||
| 54 | N | 48.5 | Very low | 44.6 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -138.6 | 121 | 163.8 | -76 | -37.4 | 0 | 0 | 0 | 105.4 | ||||
| 55 | D | 43.6 | Very low | 45.6 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | -160.7 | 172.7 | 58.4 | -97.5 | -41.2 | 0 | 0 | 0 | 112.8 | |||||
| 56 | R | 42.7 | Very low | 46.6 | Very low | 229 Ų | 229 | 146.1 Ų | 146.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -100.4 | 160.9 | -179 | -79.4 | 176.8 | 167.1 | 161.3 | -4.6 | 112.8 | ||||
| 57 | T | 47 | Very low | 48.7 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 96% | 0.957 | 77% | 0.766 | S | S | * | * | trans | 77.6 | 151.4 | 172.3 | 78.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 58 | G | 41.5 | Very low | 50.3 | Low | 63 Ų | 63 | 145.5 Ų | 145.5 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | trans | 115.6 | 51.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q60 | G58-Q60 VanDerWaalsContact C-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.41Å | ||
| 59 | I | 39 | Very low | 52.6 | Low | 168 Ų | 168 | 144.4 Ų | 144.4 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | -67.3 | 97.4 | 161.9 | -58.9 | 173.4 | 0 | 0 | 0 | 107.3 | ||||
| 60 | Q | 42.5 | Very low | 54.8 | Low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | -101.9 | 117.8 | 171.2 | -66.9 | -141.1 | 1.9 | 0 | 0 | 110.2 | G58 H62 | G58-Q60 VanDerWaalsContact C-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.41Å; Q60-H62 PolarHBondContact O-N 3.24Å | ||
| 61 | H | 46 | Very low | 57.1 | Low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | -57.7 | 125.5 | 157.9 | -74.5 | -122.8 | 0 | 0 | 0 | 107.5 | N63 | H61-N63 PolarHBondContact O-N 2.97Š| ||
| 62 | H | 52.5 | Low | 59.5 | Low | 192 Ų | 192 | 139.8 Ų | 139.8 | 89% | 0.889 | 70% | 0.701 | S | S | * | * | trans | -62.8 | 104 | 173.4 | -89.7 | -80.6 | 0 | 0 | 0 | 109 | Q60 M64 | Q60-H62 PolarHBondContact O-N 3.24Å; H62-M64 PolarHBondContact O-N 3.33Å | ||
| 63 | N | 54.3 | Low | 61.9 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | trans | -61.6 | 120 | -174.3 | -74.1 | -60.8 | 0 | 0 | 0 | 110.4 | H61 H65 | H61-N63 PolarHBondContact O-N 2.97Å; N63-H65 HydrophobicContact CB-CB 4.35Å; N63-H65 PolarHBondContact O-N 3.15Å | ||
| 64 | M | 55.5 | Low | 64.4 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 78% | 0.778 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -68.4 | 66.5 | 170.1 | -69.6 | 178.7 | 164.2 | 0 | 0 | 110.4 | H62 Y69 | H62-M64 PolarHBondContact O-N 3.33Å; M64-Y69 VanDerWaalsContact C-CE1 3.42Å; M64-Y69 HydrophobicContact CB-CE1 4.49Å; M64-Y69 WeakPolarHBondContact O-CE1 3.31Å; M64-Y69 PolarHBondContact O-OH 2.96Å |
| 65 | H | 61.4 | Low | 66.5 | Low | 131 Ų | 131 | 135.4 Ų | 135.4 | 61% | 0.606 | 67% | 0.667 | S | S | * | * | trans | -137.7 | 11.1 | -171.2 | -101.8 | 51.4 | 0 | 0 | 0 | 116 | N63 K70 | N63-H65 HydrophobicContact CB-CB 4.35Å; N63-H65 PolarHBondContact O-N 3.15Å; H65-K70 PolarHBondContact CE1-NZ 3.46Å; H65-K70 PolarHBondContact NE2-NZ 3.49Å | ||
| 66 | D | 72.3 | Confident | 69 | Low | 112 Ų | 112 | 131.3 Ų | 131.3 | 60% | 0.599 | 65% | 0.646 | S | S | * | * | trans | -57.6 | 126.5 | 165.6 | -83.6 | -51.5 | 0 | 0 | 0 | 110.9 | Y68 Y69 | D66-Y68 PolarHBondContact O-N 3.04Å; D66-Y69 HydrophobicContact CB-CD1 4.2Å; D66-Y69 WeakPolarHBondContact O-CD1 3.37Å; D66-Y69 WeakPolarHBondContact O-CE1 3.47Å; D66-Y69 PolarHBondContact O-N 3.44Å | ||
| 67 | P | 81.4 | Confident | 71.5 | Confident | 90 Ų | 90 | 123.2 Ų | 123.2 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63 | -27.2 | -178.7 | 24.6 | -33.3 | 0 | 0 | 0 | 112.3 | K70 L71 | P67-K70 PolarHBondContact O-N 3.38Å; P67-L71 PolarHBondContact O-N 3.4Å |
| 68 | Y | 84.9 | Confident | 73.9 | Confident | 186 Ų | 186 | 120 Ų | 120 | 73% | 0.729 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | -179.4 | -65.7 | -77.3 | 0 | 0 | 0 | 113.9 | D66 K70 L71 L72 | D66-Y68 PolarHBondContact O-N 3.04Å; Y68-K70 PolarHBondContact O-N 2.96Å; Y68-L71 PolarHBondContact O-N 3.2Å; Y68-L72 WeakPolarHBondContact O-CB 3.33Å; Y68-L72 PolarHBondContact O-N 3.49Å |
| 69 | Y | 84.4 | Confident | 76.5 | Confident | 85 Ų | 85 | 119.8 Ų | 119.8 | 33% | 0.333 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69 | -37.3 | -179 | 90.4 | -96.2 | 0 | 0 | 0 | 111.3 | M64 D66 L72 M73 | M64-Y69 VanDerWaalsContact C-CE1 3.42Å; M64-Y69 HydrophobicContact CB-CE1 4.49Å; M64-Y69 WeakPolarHBondContact O-CE1 3.31Å; M64-Y69 PolarHBondContact O-OH 2.96Å; D66-Y69 HydrophobicContact CB-CD1 4.2Å; D66-Y69 WeakPolarHBondContact O-CD1 3.37Å; D66-Y69 WeakPolarHBondContact O-CE1 3.47Å; D66-Y69 PolarHBondContact O-N 3.44Å; Y69-L72 PolarHBondContact O-N 3.45Å; Y69-M73 HydrophobicContact CD2-CE 3.88Å; Y69-M73 HydrophobicContact CD2-SD 4.39Å; Y69-M73 HydrophobicContact CE2-CE 3.72Å; Y69-M73 WeakPolarHBondContact O-CG 3.46Å; Y69-M73 PolarHBondContact O-N 3.18Å |
| 70 | K | 88.8 | Confident | 79.2 | Confident | 79 Ų | 79 | 115.3 Ų | 115.3 | 34% | 0.343 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.9 | -46.4 | 176.3 | -64.8 | -178.4 | -177.9 | 172.5 | 0 | 110.6 | H65 P67 Y68 M73 I74 | H65-K70 PolarHBondContact CE1-NZ 3.46Å; H65-K70 PolarHBondContact NE2-NZ 3.49Å; P67-K70 PolarHBondContact O-N 3.38Å; Y68-K70 PolarHBondContact O-N 2.96Å; K70-M73 PolarHBondContact O-N 3.38Å; K70-I74 WeakPolarHBondContact O-CD1 2.95Å; K70-I74 VanDerWaalsContact O-CG1 3.31Å; K70-I74 WeakPolarHBondContact O-CG1 3.4Å; K70-I74 PolarHBondContact O-N 3.48Å; K70-I74 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 90.9 | Very high | 81.8 | Confident | 117 Ų | 117 | 112.2 Ų | 112.2 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -42.1 | 177.6 | -172.6 | 68.5 | 0 | 0 | 0 | 112.2 | P67 Y68 I74 W75 | P67-L71 PolarHBondContact O-N 3.4Å; Y68-L71 PolarHBondContact O-N 3.2Å; L71-I74 PolarHBondContact O-N 2.9Å; L71-W75 PolarHBondContact O-N 3.46Å |
| 72 | L | 91.1 | Very high | 84.3 | Confident | 98 Ų | 98 | 109.6 Ų | 109.6 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.6 | -177.2 | 61.3 | 0 | 0 | 0 | 112.5 | Y68 Y69 W75 N76 | Y68-L72 WeakPolarHBondContact O-CB 3.33Å; Y68-L72 PolarHBondContact O-N 3.49Å; Y69-L72 PolarHBondContact O-N 3.45Å; L72-W75 PolarHBondContact O-N 2.94Å; L72-N76 WeakPolarHBondContact O-CB 3.12Å; L72-N76 PolarHBondContact O-N 3.45Å; L72-N76 PolarHBondContact O-ND2 3.39Å |
| 73 | M | 89.9 | Confident | 86.4 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 174.8 | -70.1 | -162.3 | -49.9 | 0 | 0 | 112 | Y69 K70 S77 | Y69-M73 HydrophobicContact CD2-CE 3.88Å; Y69-M73 HydrophobicContact CD2-SD 4.39Å; Y69-M73 HydrophobicContact CE2-CE 3.72Å; Y69-M73 WeakPolarHBondContact O-CG 3.46Å; Y69-M73 PolarHBondContact O-N 3.18Å; K70-M73 PolarHBondContact O-N 3.38Å; M73-S77 WeakPolarHBondContact O-CB 3.34Å; M73-S77 PolarHBondContact O-N 2.96Å |
| 74 | I | 93.6 | Very high | 88.4 | Confident | 102 Ų | 102 | 104 Ų | 104 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.5 | -68.1 | 164.3 | 0 | 0 | 0 | 110.5 | K70 L71 S77 I78 | K70-I74 WeakPolarHBondContact O-CD1 2.95Å; K70-I74 VanDerWaalsContact O-CG1 3.31Å; K70-I74 WeakPolarHBondContact O-CG1 3.4Å; K70-I74 PolarHBondContact O-N 3.48Å; K70-I74 VanDerWaalsContact O-N 3.15Å; L71-I74 PolarHBondContact O-N 2.9Å; I74-S77 PolarHBondContact O-N 3.42Å; I74-I78 HydrophobicContact CG2-CD1 3.94Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 3.5Å |
| 75 | W | 94.2 | Very high | 90.4 | Very high | 162 Ų | 162 | 100.5 Ų | 100.5 | 61% | 0.614 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | -179.4 | -165.6 | 71.5 | 0 | 0 | 0 | 112.6 | L71 L72 S77 I78 I79 | L71-W75 PolarHBondContact O-N 3.46Å; L72-W75 PolarHBondContact O-N 2.94Å; W75-S77 VanDerWaalsContact C-N 3.33Å; W75-S77 PolarHBondContact O-N 3.32Å; W75-I78 PolarHBondContact O-N 2.98Å; W75-I79 HydrophobicContact CD2-CD1 3.73Å; W75-I79 HydrophobicContact CE3-CD1 3.51Å; W75-I79 HydrophobicContact CH2-CD1 3.63Å; W75-I79 HydrophobicContact CZ2-CD1 3.82Å; W75-I79 HydrophobicContact CZ3-CD1 3.46Å; W75-I79 VanDerWaalsContact CZ3-CD1 3.46Å; W75-I79 WeakPolarHBondContact O-CG1 3.32Å; W75-I79 PolarHBondContact O-N 3.29Å |
| 76 | N | 94.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 99.8 Ų | 99.8 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 174.6 | -70.9 | -19 | 0 | 0 | 0 | 112.4 | L72 I79 T80 | L72-N76 WeakPolarHBondContact O-CB 3.12Å; L72-N76 PolarHBondContact O-N 3.45Å; L72-N76 PolarHBondContact O-ND2 3.39Å; N76-I79 PolarHBondContact O-N 3.46Å; N76-T80 PolarHBondContact O-N 3.48Å; N76-T80 PolarHBondContact O-OG1 3.36Å; N76-T80 VanDerWaalsContact O-OG1 3.05Å |
| 77 | S | 95.4 | Very high | 93.3 | Very high | 59 Ų | 59 | 99.9 Ų | 99.9 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 174.5 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | M73 I74 W75 T80 I81 | M73-S77 WeakPolarHBondContact O-CB 3.34Å; M73-S77 PolarHBondContact O-N 2.96Å; I74-S77 PolarHBondContact O-N 3.42Å; W75-S77 VanDerWaalsContact C-N 3.33Å; W75-S77 PolarHBondContact O-N 3.32Å; S77-T80 WeakPolarHBondContact CA-OG1 3.47Å; S77-T80 PolarHBondContact O-OG1 3.29Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å; S77-I81 WeakPolarHBondContact O-CD1 3.37Å; S77-I81 VanDerWaalsContact O-CG1 3.24Å; S77-I81 WeakPolarHBondContact O-CG1 3.24Å; S77-I81 PolarHBondContact O-N 3.18Å |
| 78 | I | 96.7 | Very high | 94 | Very high | 87 Ų | 87 | 99.5 Ų | 99.5 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 174.5 | -68.7 | 163.6 | 0 | 0 | 0 | 110.4 | I74 W75 T80 I81 L82 | I74-I78 HydrophobicContact CG2-CD1 3.94Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 3.5Å; W75-I78 PolarHBondContact O-N 2.98Å; I78-T80 PolarHBondContact O-N 3.28Å; I78-I81 PolarHBondContact O-N 3.21Å; I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CG 3.34Å; I78-L82 PolarHBondContact O-N 3.21Å |
| 79 | I | 96.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 95.5 Ų | 95.5 | 31% | 0.308 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 178.9 | -69.5 | 168.9 | 0 | 0 | 0 | 111.6 | W75 N76 I81 L82 L83 | W75-I79 HydrophobicContact CD2-CD1 3.73Å; W75-I79 HydrophobicContact CE3-CD1 3.51Å; W75-I79 HydrophobicContact CH2-CD1 3.63Å; W75-I79 HydrophobicContact CZ2-CD1 3.82Å; W75-I79 HydrophobicContact CZ3-CD1 3.46Å; W75-I79 VanDerWaalsContact CZ3-CD1 3.46Å; W75-I79 WeakPolarHBondContact O-CG1 3.32Å; W75-I79 PolarHBondContact O-N 3.29Å; N76-I79 PolarHBondContact O-N 3.46Å; I79-I81 PolarHBondContact O-N 3.06Å; I79-L82 PolarHBondContact O-N 2.89Å; I79-L83 HydrophobicContact CG2-CD1 4Å; I79-L83 HydrophobicContact CG2-CG 4.45Å; I79-L83 WeakPolarHBondContact O-CG 3.36Å; I79-L83 PolarHBondContact O-N 3.35Å |
| 80 | T | 96.8 | Very high | 95.1 | Very high | 74 Ų | 74 | 97.1 Ų | 97.1 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.8 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | N76 S77 I78 L83 I84 | N76-T80 PolarHBondContact O-N 3.48Å; N76-T80 PolarHBondContact O-OG1 3.36Å; N76-T80 VanDerWaalsContact O-OG1 3.05Å; S77-T80 WeakPolarHBondContact CA-OG1 3.47Å; S77-T80 PolarHBondContact O-OG1 3.29Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å; I78-T80 PolarHBondContact O-N 3.28Å; T80-L83 PolarHBondContact O-N 2.96Å; T80-I84 WeakPolarHBondContact O-CD1 3.45Å; T80-I84 VanDerWaalsContact O-CG1 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.21Å; T80-I84 PolarHBondContact O-N 2.97Å |
| 81 | I | 97.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 46% | 0.456 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 173.6 | -70.1 | 166.4 | 0 | 0 | 0 | 111.2 | S77 I78 I79 L83 I84 I85 | S77-I81 WeakPolarHBondContact O-CD1 3.37Å; S77-I81 VanDerWaalsContact O-CG1 3.24Å; S77-I81 WeakPolarHBondContact O-CG1 3.24Å; S77-I81 PolarHBondContact O-N 3.18Å; I78-I81 PolarHBondContact O-N 3.21Å; I79-I81 PolarHBondContact O-N 3.06Å; I81-L83 PolarHBondContact O-N 2.7Å; I81-I84 PolarHBondContact O-N 2.75Å; I81-I85 HydrophobicContact CG2-CD1 3.77Å; I81-I85 VanDerWaalsContact O-CG1 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.39Å; I81-I85 PolarHBondContact O-N 3Å |
| 82 | L | 97.2 | Very high | 95.5 | Very high | 106 Ų | 106 | 98.9 Ų | 98.9 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 178 | -71.1 | 171.5 | 0 | 0 | 0 | 112.5 | I78 I79 I85 F86 | I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CG 3.34Å; I78-L82 PolarHBondContact O-N 3.21Å; I79-L82 PolarHBondContact O-N 2.89Å; L82-I85 PolarHBondContact O-N 3.39Å; L82-F86 WeakPolarHBondContact O-CB 3.3Å; L82-F86 PolarHBondContact O-N 3.02Å |
| 83 | L | 97 | Very high | 95.6 | Very high | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.2 | -71.2 | 172.1 | 0 | 0 | 0 | 112.2 | I79 T80 I81 F86 I87 | I79-L83 HydrophobicContact CG2-CD1 4Å; I79-L83 HydrophobicContact CG2-CG 4.45Å; I79-L83 WeakPolarHBondContact O-CG 3.36Å; I79-L83 PolarHBondContact O-N 3.35Å; T80-L83 PolarHBondContact O-N 2.96Å; I81-L83 PolarHBondContact O-N 2.7Å; L83-F86 PolarHBondContact O-N 3.05Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.41Å |
| 84 | I | 97.1 | Very high | 95.7 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 175.8 | -70.1 | 164.1 | 0 | 0 | 0 | 110.6 | T80 I81 F86 I87 I88 | T80-I84 WeakPolarHBondContact O-CD1 3.45Å; T80-I84 VanDerWaalsContact O-CG1 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.21Å; T80-I84 PolarHBondContact O-N 2.97Å; I81-I84 PolarHBondContact O-N 2.75Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 3.37Å; I84-I87 PolarHBondContact O-N 2.95Å; I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.37Å; I84-I88 PolarHBondContact O-N 2.95Å |
| 85 | I | 97.2 | Very high | 95.6 | Very high | 83 Ų | 83 | 102.4 Ų | 102.4 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.9 | -68.2 | 165.9 | 0 | 0 | 0 | 110.7 | I81 L82 I88 I89 | I81-I85 HydrophobicContact CG2-CD1 3.77Å; I81-I85 VanDerWaalsContact O-CG1 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.39Å; I81-I85 PolarHBondContact O-N 3Å; L82-I85 PolarHBondContact O-N 3.39Å; I85-I88 PolarHBondContact O-N 2.96Å; I85-I89 HydrophobicContact CG2-CD1 3.78Å; I85-I89 HydrophobicContact CG2-CG1 4.46Å; I85-I89 WeakPolarHBondContact O-CG1 3.41Å; I85-I89 PolarHBondContact O-N 2.99Å |
| 86 | F | 97.2 | Very high | 95.3 | Very high | 117 Ų | 117 | 102.6 Ų | 102.6 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176.6 | -175.9 | -90.5 | 0 | 0 | 0 | 112.1 | L82 L83 I84 I88 I89 F90 | L82-F86 WeakPolarHBondContact O-CB 3.3Å; L82-F86 PolarHBondContact O-N 3.02Å; L83-F86 PolarHBondContact O-N 3.05Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 3.37Å; F86-I88 PolarHBondContact O-N 2.98Å; F86-I89 PolarHBondContact O-N 3.26Å; F86-F90 HydrophobicContact CD1-CD2 4.05Å; F86-F90 HydrophobicContact CD1-CE2 4.35Å; F86-F90 HydrophobicContact CD2-CD2 4.35Å; F86-F90 HydrophobicContact CD2-CE2 4.15Å; F86-F90 AromaticContact CE1-CD2 3.74Å; F86-F90 HydrophobicContact CE1-CD2 3.74Å; F86-F90 AromaticContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CG 4.34Å; F86-F90 HydrophobicContact CE1-CZ 4.25Å; F86-F90 HydrophobicContact CE2-CD2 4.08Å; F86-F90 AromaticContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CE2 3.48Å; F86-F90 VanDerWaalsContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CZ 4.27Å; F86-F90 HydrophobicContact CG-CD2 4.35Å; F86-F90 AromaticContact CZ-CD2 3.77Å; F86-F90 HydrophobicContact CZ-CD2 3.77Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.71Å; F86-F90 HydrophobicContact CZ-CZ 3.71Å; F86-F90 WeakPolarHBondContact O-CD2 3.47Å; F86-F90 PolarHBondContact O-N 2.97Å |
| 87 | I | 96.7 | Very high | 95 | Very high | 114 Ų | 114 | 105 Ų | 105 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 176.4 | -69.7 | 164.7 | 0 | 0 | 0 | 111 | L83 I84 F90 Y91 | L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 2.95Å; I87-F90 PolarHBondContact O-N 2.98Å; I87-Y91 VanDerWaalsContact O-CB 3.32Å; I87-Y91 WeakPolarHBondContact O-CB 3.33Å; I87-Y91 PolarHBondContact O-N 3.16Å |
| 88 | I | 96.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 105.7 Ų | 105.7 | 42% | 0.415 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.7 | -70.2 | 167.2 | 0 | 0 | 0 | 111.2 | I84 I85 F86 Y91 F92 | I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.37Å; I84-I88 PolarHBondContact O-N 2.95Å; I85-I88 PolarHBondContact O-N 2.96Å; F86-I88 PolarHBondContact O-N 2.98Å; I88-Y91 PolarHBondContact O-N 3.43Å; I88-F92 HydrophobicContact CG2-CD2 3.71Å; I88-F92 HydrophobicContact CG2-CE2 3.73Å; I88-F92 WeakPolarHBondContact O-CD2 3.31Å; I88-F92 PolarHBondContact O-N 3.37Å |
| 89 | I | 96.1 | Very high | 93.9 | Very high | 102 Ų | 102 | 105.8 Ų | 105.8 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 176.5 | -69.3 | 167.4 | 0 | 0 | 0 | 111 | I85 F86 F92 H93 | I85-I89 HydrophobicContact CG2-CD1 3.78Å; I85-I89 HydrophobicContact CG2-CG1 4.46Å; I85-I89 WeakPolarHBondContact O-CG1 3.41Å; I85-I89 PolarHBondContact O-N 2.99Å; F86-I89 PolarHBondContact O-N 3.26Å; I89-F92 PolarHBondContact O-N 3.24Å; I89-H93 WeakPolarHBondContact O-CB 3.44Å; I89-H93 PolarHBondContact O-N 3.3Å |
| 90 | F | 95.7 | Very high | 93.2 | Very high | 119 Ų | 119 | 113.1 Ų | 113.1 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 176.9 | -93.4 | -105.5 | 0 | 0 | 0 | 112.6 | F86 I87 H93 Y94 | F86-F90 HydrophobicContact CD1-CD2 4.05Å; F86-F90 HydrophobicContact CD1-CE2 4.35Å; F86-F90 HydrophobicContact CD2-CD2 4.35Å; F86-F90 HydrophobicContact CD2-CE2 4.15Å; F86-F90 AromaticContact CE1-CD2 3.74Å; F86-F90 HydrophobicContact CE1-CD2 3.74Å; F86-F90 AromaticContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CG 4.34Å; F86-F90 HydrophobicContact CE1-CZ 4.25Å; F86-F90 HydrophobicContact CE2-CD2 4.08Å; F86-F90 AromaticContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CE2 3.48Å; F86-F90 VanDerWaalsContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CZ 4.27Å; F86-F90 HydrophobicContact CG-CD2 4.35Å; F86-F90 AromaticContact CZ-CD2 3.77Å; F86-F90 HydrophobicContact CZ-CD2 3.77Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.71Å; F86-F90 HydrophobicContact CZ-CZ 3.71Å; F86-F90 WeakPolarHBondContact O-CD2 3.47Å; F86-F90 PolarHBondContact O-N 2.97Å; I87-F90 PolarHBondContact O-N 2.98Å; F90-H93 PolarHBondContact O-N 3.04Å; F90-Y94 VanDerWaalsContact O-CB 3.29Å; F90-Y94 WeakPolarHBondContact O-CB 3.31Å; F90-Y94 PolarHBondContact O-N 2.83Å |
| 91 | Y | 95.1 | Very high | 92.4 | Very high | 125 Ų | 125 | 117.1 Ų | 117.1 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -53.6 | 172.8 | -179.7 | -87.6 | 0 | 0 | 0 | 110.8 | I87 I88 H93 Y94 Y95 | I87-Y91 VanDerWaalsContact O-CB 3.32Å; I87-Y91 WeakPolarHBondContact O-CB 3.33Å; I87-Y91 PolarHBondContact O-N 3.16Å; I88-Y91 PolarHBondContact O-N 3.43Å; Y91-H93 PolarHBondContact O-N 3.44Å; Y91-Y94 PolarHBondContact O-N 3.05Å; Y91-Y95 HydrophobicContact CD1-CD2 4.07Å; Y91-Y95 HydrophobicContact CD1-CE2 4.35Å; Y91-Y95 HydrophobicContact CD2-CD2 4.08Å; Y91-Y95 AromaticContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CE1-CD1 4.49Å; Y91-Y95 AromaticContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE1 4.5Å; Y91-Y95 AromaticContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CG 4.21Å; Y91-Y95 AromaticContact CE2-CD2 3.93Å; Y91-Y95 HydrophobicContact CE2-CD2 3.93Å; Y91-Y95 AromaticContact CE2-CE2 3.23Å; Y91-Y95 HydrophobicContact CE2-CE2 3.23Å; Y91-Y95 AromaticContact CE2-CZ 3.64Å; Y91-Y95 HydrophobicContact CG-CD2 4.15Å; Y91-Y95 HydrophobicContact CG-CE2 4.24Å; Y91-Y95 AromaticContact CZ-CD2 3.83Å; Y91-Y95 AromaticContact CZ-CE2 3.35Å; Y91-Y95 AromaticContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact O-CD2 3.31Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.33Å; Y91-Y95 PolarHBondContact O-N 3.28Å; Y91-Y95 VanDerWaalsContact OH-CZ 3.23Å; Y91-Y95 PolarHBondContact OH-OH 3.41Å |
| 92 | F | 94.5 | Very high | 91.4 | Very high | 108 Ų | 108 | 116.3 Ų | 116.3 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 177.1 | -85 | -66.1 | 0 | 0 | 0 | 112.3 | I88 I89 Y94 Y95 Y96 | I88-F92 HydrophobicContact CG2-CD2 3.71Å; I88-F92 HydrophobicContact CG2-CE2 3.73Å; I88-F92 WeakPolarHBondContact O-CD2 3.31Å; I88-F92 PolarHBondContact O-N 3.37Å; I89-F92 PolarHBondContact O-N 3.24Å; F92-Y94 VanDerWaalsContact C-N 3.33Å; F92-Y94 PolarHBondContact O-N 2.82Å; F92-Y95 PolarHBondContact O-N 3.25Å; F92-Y96 HydrophobicContact CB-CD2 4.24Å; F92-Y96 HydrophobicContact CB-CE2 4.19Å; F92-Y96 AromaticContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CG-CE2 4.42Å; F92-Y96 WeakPolarHBondContact O-CB 3.3Å; F92-Y96 WeakPolarHBondContact O-CD2 3.49Å; F92-Y96 PolarHBondContact O-N 2.92Å |
| 93 | H | 93 | Very high | 90.4 | Very high | 123 Ų | 123 | 116 Ų | 116 | 57% | 0.569 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 178.3 | 179.2 | -120.7 | 0 | 0 | 0 | 112.5 | I89 F90 Y91 K97 | I89-H93 WeakPolarHBondContact O-CB 3.44Å; I89-H93 PolarHBondContact O-N 3.3Å; F90-H93 PolarHBondContact O-N 3.04Å; Y91-H93 PolarHBondContact O-N 3.44Å; H93-K97 WeakPolarHBondContact O-CB 3.28Å; H93-K97 PolarHBondContact O-N 3.24Å |
| 94 | Y | 92.4 | Very high | 89 | Confident | 150 Ų | 150 | 118.7 Ų | 118.7 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 173.1 | -178.7 | -92.2 | 0 | 0 | 0 | 111.7 | F90 Y91 F92 K97 L98 | F90-Y94 VanDerWaalsContact O-CB 3.29Å; F90-Y94 WeakPolarHBondContact O-CB 3.31Å; F90-Y94 PolarHBondContact O-N 2.83Å; Y91-Y94 PolarHBondContact O-N 3.05Å; F92-Y94 VanDerWaalsContact C-N 3.33Å; F92-Y94 PolarHBondContact O-N 2.82Å; Y94-K97 PolarHBondContact O-N 3.35Å; Y94-L98 HydrophobicContact CE1-CD2 4.17Å; Y94-L98 WeakPolarHBondContact O-CB 3.32Å; Y94-L98 PolarHBondContact O-N 2.96Å |
| 95 | Y | 90.4 | Very high | 87.8 | Confident | 118 Ų | 118 | 119 Ų | 119 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | -179.8 | -88.4 | -111.2 | 0 | 0 | 0 | 112.3 | Y91 F92 K97 L98 N99 | Y91-Y95 HydrophobicContact CD1-CD2 4.07Å; Y91-Y95 HydrophobicContact CD1-CE2 4.35Å; Y91-Y95 HydrophobicContact CD2-CD2 4.08Å; Y91-Y95 AromaticContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CD2-CE2 3.71Å; Y91-Y95 HydrophobicContact CE1-CD1 4.49Å; Y91-Y95 AromaticContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CD2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE1 4.5Å; Y91-Y95 AromaticContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CE2 3.93Å; Y91-Y95 HydrophobicContact CE1-CG 4.21Å; Y91-Y95 AromaticContact CE2-CD2 3.93Å; Y91-Y95 HydrophobicContact CE2-CD2 3.93Å; Y91-Y95 AromaticContact CE2-CE2 3.23Å; Y91-Y95 HydrophobicContact CE2-CE2 3.23Å; Y91-Y95 AromaticContact CE2-CZ 3.64Å; Y91-Y95 HydrophobicContact CG-CD2 4.15Å; Y91-Y95 HydrophobicContact CG-CE2 4.24Å; Y91-Y95 AromaticContact CZ-CD2 3.83Å; Y91-Y95 AromaticContact CZ-CE2 3.35Å; Y91-Y95 AromaticContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact CZ-CZ 3.44Å; Y91-Y95 VanDerWaalsContact O-CD2 3.31Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.33Å; Y91-Y95 PolarHBondContact O-N 3.28Å; Y91-Y95 VanDerWaalsContact OH-CZ 3.23Å; Y91-Y95 PolarHBondContact OH-OH 3.41Å; F92-Y95 PolarHBondContact O-N 3.25Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.47Å; Y95-L98 PolarHBondContact O-N 2.89Å; Y95-N99 VanDerWaalsContact O-CB 3.31Å; Y95-N99 WeakPolarHBondContact O-CB 3.4Å; Y95-N99 PolarHBondContact O-N 3.44Å |
| 96 | Y | 87.9 | Confident | 86.6 | Confident | 166 Ų | 166 | 119.3 Ų | 119.3 | 65% | 0.651 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 173.8 | -77 | -61.3 | 0 | 0 | 0 | 112.1 | F92 R100 | F92-Y96 HydrophobicContact CB-CD2 4.24Å; F92-Y96 HydrophobicContact CB-CE2 4.19Å; F92-Y96 AromaticContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CD1-CE2 3.88Å; F92-Y96 HydrophobicContact CG-CE2 4.42Å; F92-Y96 WeakPolarHBondContact O-CB 3.3Å; F92-Y96 WeakPolarHBondContact O-CD2 3.49Å; F92-Y96 PolarHBondContact O-N 2.92Å; Y96-R100 WeakPolarHBondContact O-CB 3.29Å; Y96-R100 PolarHBondContact O-N 2.9Å |
| 97 | K | 88.5 | Confident | 85.3 | Confident | 127 Ų | 127 | 119.4 Ų | 119.4 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.9 | -32.6 | 177.2 | -172.7 | 174.4 | -177.9 | 178.3 | 0 | 112.9 | H93 Y94 Y95 R101 | H93-K97 WeakPolarHBondContact O-CB 3.28Å; H93-K97 PolarHBondContact O-N 3.24Å; Y94-K97 PolarHBondContact O-N 3.35Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.47Å; K97-R101 WeakPolarHBondContact O-CG 3.24Å |
| 98 | L | 85.1 | Confident | 84.1 | Confident | 74 Ų | 74 | 118.2 Ų | 118.2 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.9 | -47.3 | 174.7 | -175.4 | 61.2 | 0 | 0 | 0 | 111.3 | Y94 Y95 R100 R101 I102 | Y94-L98 HydrophobicContact CE1-CD2 4.17Å; Y94-L98 WeakPolarHBondContact O-CB 3.32Å; Y94-L98 PolarHBondContact O-N 2.96Å; Y95-L98 PolarHBondContact O-N 2.89Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 2.84Å; L98-R101 WeakPolarHBondContact O-CA 3.49Å; L98-R101 WeakPolarHBondContact O-CB 3.17Å; L98-R101 PolarHBondContact O-N 3.31Å; L98-I102 HydrophobicContact CD1-CD1 4.46Å; L98-I102 HydrophobicContact CG-CD1 4.01Å; L98-I102 PolarHBondContact O-N 2.65Å |
| 99 | N | 84.3 | Confident | 82.7 | Confident | 90 Ų | 90 | 119.7 Ų | 119.7 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | -179.9 | -162.1 | 61 | 0 | 0 | 0 | 112 | Y95 R101 I102 Q103 | Y95-N99 VanDerWaalsContact O-CB 3.31Å; Y95-N99 WeakPolarHBondContact O-CB 3.4Å; Y95-N99 PolarHBondContact O-N 3.44Å; N99-R101 PolarHBondContact O-N 2.96Å; N99-I102 PolarHBondContact O-N 3.3Å; N99-I102 VanDerWaalsContact O-N 3.16Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.88Å |
| 100 | R | 81.3 | Confident | 81.4 | Confident | 214 Ų | 214 | 119.4 Ų | 119.4 | 81% | 0.808 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -24.4 | 174.2 | -172 | 174.9 | -179.9 | -165 | -0.5 | 113.5 | Y96 L98 | Y96-R100 WeakPolarHBondContact O-CB 3.29Å; Y96-R100 PolarHBondContact O-N 2.9Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 2.84Å |
| 101 | R | 79.5 | Confident | 79.9 | Confident | 158 Ų | 158 | 118.7 Ų | 118.7 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -81.9 | -38.4 | 172.7 | -73.4 | 175.4 | 162.7 | -152.2 | -9.5 | 112.1 | K97 L98 N99 I105 | K97-R101 WeakPolarHBondContact O-CG 3.24Å; L98-R101 WeakPolarHBondContact O-CA 3.49Å; L98-R101 WeakPolarHBondContact O-CB 3.17Å; L98-R101 PolarHBondContact O-N 3.31Å; N99-R101 PolarHBondContact O-N 2.96Å; R101-I105 WeakPolarHBondContact O-CG1 3.45Å; R101-I105 PolarHBondContact O-N 2.73Å |
| 102 | I | 77.6 | Confident | 78.4 | Confident | 71 Ų | 71 | 116.7 Ų | 116.7 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 178.7 | -67.3 | 168.6 | 0 | 0 | 0 | 110.3 | L98 N99 W104 I105 E106 | L98-I102 HydrophobicContact CD1-CD1 4.46Å; L98-I102 HydrophobicContact CG-CD1 4.01Å; L98-I102 PolarHBondContact O-N 2.65Å; N99-I102 PolarHBondContact O-N 3.3Å; N99-I102 VanDerWaalsContact O-N 3.16Å; I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 2.68Å; I102-I105 CarbonylContact O-C 3.6Å; I102-I105 WeakPolarHBondContact O-CA 3.44Å; I102-I105 WeakPolarHBondContact O-CB 3.46Å; I102-I105 PolarHBondContact O-N 3.05Å; I102-E106 HydrophobicContact CG2-CG 4.24Å; I102-E106 WeakPolarHBondContact O-CG 3.23Å; I102-E106 PolarHBondContact O-N 3.36Å |
| 103 | Q | 74.4 | Confident | 76.7 | Confident | 99 Ų | 99 | 117.1 Ų | 117.1 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | -179.9 | -69.9 | -87.9 | -94.7 | 0 | 0 | 113 | N99 I105 E106 E107 | N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.88Å; Q103-I105 VanDerWaalsContact C-N 3.33Å; Q103-I105 PolarHBondContact O-N 2.95Å; Q103-E106 PolarHBondContact NE2-OE2 3.32Å; Q103-E106 PolarHBondContact O-N 3.45Å; Q103-E107 WeakPolarHBondContact O-CG 3.42Å; Q103-E107 PolarHBondContact O-N 2.78Å |
| 104 | W | 68.8 | Low | 75.1 | Confident | 157 Ų | 157 | 118.7 Ų | 118.7 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -33.3 | 175.2 | -173.8 | 69.9 | 0 | 0 | 0 | 112.9 | I102 E108 | I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 2.68Å; W104-E108 WeakPolarHBondContact O-CB 3.45Å; W104-E108 PolarHBondContact O-N 2.93Å; W104-E108 VanDerWaalsContact O-N 3.14Å |
| 105 | I | 71.4 | Confident | 73.1 | Confident | 103 Ų | 103 | 121.4 Ų | 121.4 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.4 | -35.7 | 173.9 | -64.9 | 165.3 | 0 | 0 | 0 | 110.6 | R101 I102 Q103 L109 | R101-I105 WeakPolarHBondContact O-CG1 3.45Å; R101-I105 PolarHBondContact O-N 2.73Å; I102-I105 CarbonylContact O-C 3.6Å; I102-I105 WeakPolarHBondContact O-CA 3.44Å; I102-I105 WeakPolarHBondContact O-CB 3.46Å; I102-I105 PolarHBondContact O-N 3.05Å; Q103-I105 VanDerWaalsContact C-N 3.33Å; Q103-I105 PolarHBondContact O-N 2.95Å; I105-L109 VanDerWaalsContact O-CB 3.23Å; I105-L109 WeakPolarHBondContact O-CB 3.24Å; I105-L109 PolarHBondContact O-N 3.14Å |
| 106 | E | 72.2 | Confident | 71 | Confident | 89 Ų | 89 | 121 Ų | 121 | 42% | 0.416 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.2 | -45.3 | 177 | -69.4 | 173.6 | 140.8 | 0 | 0 | 111.9 | I102 Q103 L109 I110 | I102-E106 HydrophobicContact CG2-CG 4.24Å; I102-E106 WeakPolarHBondContact O-CG 3.23Å; I102-E106 PolarHBondContact O-N 3.36Å; Q103-E106 PolarHBondContact NE2-OE2 3.32Å; Q103-E106 PolarHBondContact O-N 3.45Å; E106-L109 PolarHBondContact O-N 2.91Å; E106-I110 WeakPolarHBondContact O-CB 3.4Å; E106-I110 WeakPolarHBondContact O-CD1 3.35Å; E106-I110 VanDerWaalsContact O-CG1 3.24Å; E106-I110 WeakPolarHBondContact O-CG1 3.43Å; E106-I110 PolarHBondContact O-N 2.92Å |
| 107 | E | 70.3 | Confident | 69.3 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.5 | -48.2 | 173 | -74 | 177.9 | 166.3 | 0 | 0 | 111.7 | Q103 L109 I110 N111 | Q103-E107 WeakPolarHBondContact O-CG 3.42Å; Q103-E107 PolarHBondContact O-N 2.78Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 2.79Å; E107-I110 PolarHBondContact O-N 2.77Å; E107-N111 WeakPolarHBondContact O-CB 3.47Å; E107-N111 VanDerWaalsContact O-CG 3.27Å; E107-N111 PolarHBondContact O-N 3.46Å; E107-N111 PolarHBondContact O-ND2 3.31Å |
| 108 | E | 71.1 | Confident | 67.5 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 42% | 0.416 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -39.3 | 178.2 | -172.1 | 62.4 | -155.1 | 0 | 0 | 111.6 | W104 N112 | W104-E108 WeakPolarHBondContact O-CB 3.45Å; W104-E108 PolarHBondContact O-N 2.93Å; W104-E108 VanDerWaalsContact O-N 3.14Å; E108-N112 WeakPolarHBondContact O-CB 3.38Å; E108-N112 PolarHBondContact O-N 3.09Å; E108-N112 VanDerWaalsContact O-N 3.09Å; E108-N112 PolarHBondContact O-ND2 2.96Å; E108-N112 PolarHBondContact OE1-ND2 3.01Å |
| 109 | L | 67.8 | Low | 65.9 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.1 | -39.8 | 177.7 | -167.2 | 71.6 | 0 | 0 | 0 | 112.1 | I105 E106 E107 L113 | I105-L109 VanDerWaalsContact O-CB 3.23Å; I105-L109 WeakPolarHBondContact O-CB 3.24Å; I105-L109 PolarHBondContact O-N 3.14Å; E106-L109 PolarHBondContact O-N 2.91Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 2.79Å; L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-L113 WeakPolarHBondContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CD1 3.21Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.27Å |
| 110 | I | 67.9 | Low | 64.2 | Low | 97 Ų | 97 | 124.6 Ų | 124.6 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.6 | -49.1 | 176.8 | -70.2 | 163.9 | 0 | 0 | 0 | 110.4 | E106 E107 N112 L113 E114 | E106-I110 WeakPolarHBondContact O-CB 3.4Å; E106-I110 WeakPolarHBondContact O-CD1 3.35Å; E106-I110 VanDerWaalsContact O-CG1 3.24Å; E106-I110 WeakPolarHBondContact O-CG1 3.43Å; E106-I110 PolarHBondContact O-N 2.92Å; E107-I110 PolarHBondContact O-N 2.77Å; I110-N112 VanDerWaalsContact C-N 3.28Å; I110-N112 PolarHBondContact O-N 3.25Å; I110-L113 WeakPolarHBondContact O-CA 3.39Å; I110-L113 WeakPolarHBondContact O-CB 2.99Å; I110-L113 PolarHBondContact O-N 2.91Å; I110-E114 PolarHBondContact O-N 2.96Å |
| 111 | N | 64.4 | Low | 62.8 | Low | 104 Ų | 104 | 118.1 Ų | 118.1 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.8 | -37.2 | 178.8 | -70.8 | -36.7 | 0 | 0 | 0 | 112.5 | E107 L113 | E107-N111 WeakPolarHBondContact O-CB 3.47Å; E107-N111 VanDerWaalsContact O-CG 3.27Å; E107-N111 PolarHBondContact O-N 3.46Å; E107-N111 PolarHBondContact O-ND2 3.31Å; N111-L113 VanDerWaalsContact C-N 3.34Å |
| 112 | N | 63 | Low | 61.2 | Low | 82 Ų | 82 | 118.1 Ų | 118.1 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -77.6 | -14.7 | 175.1 | -76.7 | -78.3 | 0 | 0 | 0 | 113.9 | E108 I110 N116 | E108-N112 WeakPolarHBondContact O-CB 3.38Å; E108-N112 PolarHBondContact O-N 3.09Å; E108-N112 VanDerWaalsContact O-N 3.09Å; E108-N112 PolarHBondContact O-ND2 2.96Å; E108-N112 PolarHBondContact OE1-ND2 3.01Å; I110-N112 VanDerWaalsContact C-N 3.28Å; I110-N112 PolarHBondContact O-N 3.25Å; N112-N116 PolarHBondContact O-ND2 3.01Å |
| 113 | L | 59.3 | Low | 59.8 | Low | 118 Ų | 118 | 122.4 Ų | 122.4 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -84.4 | -47.1 | 171 | -77 | 164.3 | 0 | 0 | 0 | 111.2 | L109 I110 N111 Y115 N116 | L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-L113 WeakPolarHBondContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CD1 3.21Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.27Å; I110-L113 WeakPolarHBondContact O-CA 3.39Å; I110-L113 WeakPolarHBondContact O-CB 2.99Å; I110-L113 PolarHBondContact O-N 2.91Å; N111-L113 VanDerWaalsContact C-N 3.34Å; L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 3.07Å; L113-N116 PolarHBondContact O-N 2.87Å |
| 114 | E | 59.1 | Low | 58.8 | Low | 155 Ų | 155 | 124.5 Ų | 124.5 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.8 | -36.3 | -176.5 | -154.8 | 87 | -173.8 | 0 | 0 | 112.6 | I110 N116 | I110-E114 PolarHBondContact O-N 2.96Å; E114-N116 VanDerWaalsContact C-N 3.33Å; E114-N116 PolarHBondContact O-N 3.28Å |
| 115 | Y | 51.5 | Low | 58.4 | Low | 207 Ų | 207 | 122.5 Ų | 122.5 | 81% | 0.812 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -9.5 | 179.2 | -166.8 | -97.1 | 0 | 0 | 0 | 114.3 | L113 | L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 3.07Å |
| 116 | N | 46.1 | Very low | 57.9 | Low | 111 Ų | 111 | 123.2 Ų | 123.2 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 25.6 | -174 | -81.7 | -72.3 | 0 | 0 | 0 | 113.8 | N112 L113 E114 P118 | N112-N116 PolarHBondContact O-ND2 3.01Å; L113-N116 PolarHBondContact O-N 2.87Å; E114-N116 VanDerWaalsContact C-N 3.33Å; E114-N116 PolarHBondContact O-N 3.28Å; N116-P118 WeakPolarHBondContact O-CD 3.5Å; N116-P118 WeakPolarHBondContact O-CG 3.48Å |
| 117 | D | 51 | Low | 57.7 | Low | 118 Ų | 118 | 124.7 Ų | 124.7 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | trans | -64.8 | 114.1 | 166.8 | -171.6 | -8.4 | 0 | 0 | 0 | 110.6 | D119 | D117-D119 WeakPolarHBondContact OD1-CB 3.49Å; D117-D119 PolarHBondContact OD1-N 3.4Å | ||
| 118 | P | 50.4 | Low | 56.7 | Low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | -92.4 | -2.9 | 178.3 | 3.5 | 19.2 | 0 | 0 | 0 | 113 | N116 H120 | N116-P118 WeakPolarHBondContact O-CD 3.5Å; N116-P118 WeakPolarHBondContact O-CG 3.48Å; P118-H120 PolarHBondContact O-N 3.38Å | ||
| 119 | D | 52.2 | Low | 55.6 | Low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | trans | -84.1 | 37.4 | -169.8 | -68.6 | -16.2 | 0 | 0 | 0 | 112.8 | D117 P121 | D117-D119 WeakPolarHBondContact OD1-CB 3.49Å; D117-D119 PolarHBondContact OD1-N 3.4Å; D119-P121 VanDerWaalsContact C-CD 3.43Å; D119-P121 WeakPolarHBondContact O-CD 3.5Å | ||
| 120 | H | 48.2 | Very low | 54.6 | Low | 179 Ų | 179 | 130.3 Ų | 130.3 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | -105.1 | 87.1 | 146.7 | -106.7 | 33.9 | 0 | 0 | 0 | 109.9 | P118 | P118-H120 PolarHBondContact O-N 3.38Š| ||
| 121 | P | 52 | Low | 53.7 | Low | 78 Ų | 78 | 132.8 Ų | 132.8 | 51% | 0.506 | 70% | 0.703 | S | S | . | * | trans | -59.8 | 139 | 162.4 | -13.1 | 27 | 0 | 0 | 0 | 109 | D119 H123 | D119-P121 VanDerWaalsContact C-CD 3.43Å; D119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-H123 PolarHBondContact O-N 3.32Å | ||
| 122 | N | 45.7 | Very low | 52.9 | Low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -65.3 | 91.7 | 158.7 | -72.1 | -49 | 0 | 0 | 0 | 107.5 | D124 | N122-D124 PolarHBondContact O-N 2.95Š| ||
| 123 | H | 49.2 | Very low | 52 | Low | 162 Ų | 162 | 137.1 Ų | 137.1 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | trans | -73.5 | 91.4 | 173.3 | -91.7 | -78.3 | 0 | 0 | 0 | 109.2 | P121 | P121-H123 PolarHBondContact O-N 3.32Š| ||
| 124 | D | 52.1 | Low | 51.1 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 134.5 | 161.8 | -71.6 | -46.6 | 0 | 0 | 0 | 109.2 | N122 | N122-D124 PolarHBondContact O-N 2.95Š|
| 125 | P | 61.2 | Low | 50.2 | Low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132.9 | -175.4 | 26.8 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 126 | P | 61.2 | Low | 49.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 138.9 | -179.6 | 28.7 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 127 | P | 66.9 | Low | 49.7 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 151.3 | 166.6 | 30.8 | -34 | 0 | 0 | 0 | 110.6 | ||
| 128 | P | 51 | Low | 49.1 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.7 | -164.1 | 30.1 | -36.3 | 0 | 0 | 0 | 115.4 | ||
| 129 | D | 46.8 | Very low | 48.8 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | 44.8 | 115.4 | 145.8 | -56.1 | -30.2 | 0 | 0 | 0 | 121.1 | ||||
| 130 | H | 48.3 | Very low | 48.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | -145.5 | 97.6 | 130.6 | -97.8 | -28.3 | 0 | 0 | 0 | 113.6 | ||||
| 131 | H | 48.2 | Very low | 48 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | trans | 57.8 | 134.4 | 146.9 | -69.1 | -60.6 | 0 | 0 | 0 | 123.7 | ||||
| 132 | H | 47.3 | Very low | 47.4 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | 84.3 | 109.8 | 154 | -64.1 | -26.5 | 0 | 0 | 0 | 116.7 | ||||
| 133 | N | 43.5 | Very low | 46.9 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | 68.9 | 120.4 | 69.3 | -68.1 | 31.8 | 0 | 0 | 0 | 109.5 | |||||
| 134 | N | 40.9 | Very low | 46.1 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | cis | -164.7 | 155.2 | 25.9 | -108.6 | 3.7 | 0 | 0 | 0 | 110.4 | ||||
| 135 | N | 40.3 | Very low | 45.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | trans | 63.8 | 149.1 | 147.6 | -64.7 | 45.5 | 0 | 0 | 0 | 118.4 | ||||
| 136 | D | 44 | Very low | 43.5 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | cis | -165.6 | 167.5 | -10.9 | -89 | -27.2 | 0 | 0 | 0 | 106 | ||||
| 137 | S | 43.2 | Very low | 42.1 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | cis | -178.6 | 149.9 | -28.6 | 178.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 138 | Y | 38.3 | Very low | 40.4 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | 122.9 | 98.9 | -165.6 | -33.2 | -127.2 | 0 | 0 | 0 | 119.1 | ||||
| 139 | D | 44 | Very low | 39.8 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 56% | 0.556 | 72% | 0.718 | S | S | * | * | cis | 112.7 | 138.5 | 3.6 | -168.4 | 35.6 | 0 | 0 | 0 | 116.3 | ||||
| 140 | R | 40.9 | Very low | 39 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | 84.5 | 126 | 170.1 | -50.7 | -165.2 | -168.2 | 158.6 | 17.8 | 118.7 | ||||
| 141 | D | 42.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | cis | 84.2 | 139 | 47.2 | -83.1 | -20.6 | 0 | 0 | 0 | 113.6 | ||||
| 142 | Q | 39.9 | Very low | 37.5 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | cis | -122.9 | 170.5 | -12.1 | -57 | 89.5 | 25.5 | 0 | 0 | 109.4 | ||||
| 143 | R | 35.7 | Very low | 36.9 | Very low | 219 Ų | 219 | 137.2 Ų | 137.2 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | cis | 88.2 | 116.9 | 18.6 | -118.9 | -170.5 | 179.2 | -154.7 | -1.7 | 117.8 | ||||
| 144 | L | 32.7 | Very low | 36.4 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | 68.8 | 150.6 | 172.4 | -79.5 | 65.7 | 0 | 0 | 0 | 115.8 | ||||
| 145 | L | 31.4 | Very low | 36 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | cis | -149.1 | 176.1 | 4.5 | -126.1 | 172.4 | 0 | 0 | 0 | 111.2 | ||||
| 146 | L | 27.7 | Very low | 35.5 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -63.8 | 151.8 | 178.6 | -73.5 | 70.7 | 0 | 0 | 0 | 113.4 | ||||
| 147 | T | 31.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | 177.1 | 132.3 | 103.9 | 39.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 148 | T | 31.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 51.6 | 128.5 | 142.7 | 58.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 149 | V | 36.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | 87.7 | 117.5 | 131.8 | 168.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 150 | D | 30.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 55.6 | 117.8 | 145.4 | -62.5 | -11.7 | 0 | 0 | 0 | 124.5 | ||||
| 151 | S | 33.7 | Very low | 34 | Very low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | 78.2 | 115.5 | 122.5 | -66.9 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 152 | N | 31.7 | Very low | 33.6 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | 80.7 | 165.8 | 140 | -57.7 | -31.8 | 0 | 0 | 0 | 120.2 | ||||
| 153 | V | 34.5 | Very low | 33.2 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 96.3 | 112.6 | 161.8 | -175.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 154 | L | 33.7 | Very low | 33.2 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 37.1 | 128.2 | 151 | -80 | 53.2 | 0 | 0 | 0 | 120.1 | ||||
| 155 | I | 30.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 145 Ų | 145 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | cis | 101.5 | 120.4 | 45.7 | -78 | 168.5 | 0 | 0 | 0 | 113.6 | ||||
| 156 | D | 30.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 89.6 | 159.6 | 153.2 | -120.8 | -21.9 | 0 | 0 | 0 | 124.7 | ||||
| 157 | E | 39.4 | Very low | 34 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | trans | 68.8 | 90.1 | 162 | -66.6 | -78.4 | 65.2 | 0 | 0 | 120 | ||||
| 158 | R | 32.7 | Very low | 34 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 75% | 0.751 | 75% | 0.753 | S | S | * | * | trans | -14.1 | 128.7 | 143.7 | -58.6 | 159.6 | -73.2 | -158 | -3.2 | 115.5 | ||||
| 159 | H | 36.1 | Very low | 34 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | -161.6 | 156.4 | 106.2 | -116.5 | -85.8 | 0 | 0 | 0 | 113.4 | |||||
| 160 | D | 35.9 | Very low | 33.9 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 54% | 0.535 | 76% | 0.755 | S | S | . | * | trans | 45.8 | 119.2 | 165.6 | -82.1 | -104.4 | 0 | 0 | 0 | 123.3 | ||||
| 161 | K | 35.4 | Very low | 34.1 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 67.6 | 107 | 137.7 | -67.4 | 172 | -179.8 | 121.3 | 0 | 119.7 | ||
| 162 | H | 33.7 | Very low | 34 | Very low | 187 Ų | 187 | 157 Ų | 157 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | 54.4 | 78.9 | 153.1 | -69.8 | -82.4 | 0 | 0 | 0 | 116.2 | ||||
| 163 | K | 30.5 | Very low | 33.9 | Very low | 210 Ų | 210 | 154.6 Ų | 154.6 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -72.4 | 128.1 | 156.6 | -78.6 | -169.5 | 170.9 | -169.4 | 0 | 110.7 | ||||
| 164 | D | 36.1 | Very low | 33.8 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -76.5 | 167.1 | 148.8 | -62.6 | -57.1 | 0 | 0 | 0 | 110.4 | ||||
| 165 | D | 37.1 | Very low | 33.9 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 43.3 | 94.2 | 161.8 | -62.8 | -23 | 0 | 0 | 0 | 119.8 | ||||
| 166 | H | 34.9 | Very low | 33.8 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | 165.9 | 156 | 97.1 | -82.3 | -53.4 | 0 | 0 | 0 | 114.2 | |||||
| 167 | L | 37.2 | Very low | 33.8 | Very low | 145 Ų | 145 | 158.3 Ų | 158.3 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 79.3 | 121.5 | 156.1 | -115.3 | 71.3 | 0 | 0 | 0 | 122.1 | ||||
| 168 | Y | 30.7 | Very low | 33.5 | Very low | 204 Ų | 204 | 163.6 Ų | 163.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 61.2 | 139.5 | 166.7 | -71.8 | -71.5 | 0 | 0 | 0 | 119.2 | ||||
| 169 | P | 32.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -126.2 | 77.8 | -117.4 | 26.5 | -3.9 | 0 | 0 | 0 | 111.8 | |||||
| 170 | G | 34.9 | Very low | 33.4 | Very low | 73 Ų | 73 | 165.7 Ų | 165.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -94.2 | 97.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 171 | K | 33.3 | Very low | 33.4 | Very low | 210 Ų | 210 | 165.8 Ų | 165.8 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | 36.3 | 95.2 | 152.8 | -60.7 | 175.9 | -176.2 | 173.1 | 0 | 117.3 | ||||
| 172 | K | 32.5 | Very low | 33.3 | Very low | 208 Ų | 208 | 165.3 Ų | 165.3 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -114.5 | 141.2 | 148 | -86.7 | -175.7 | 178.6 | 173.4 | 0 | 111 | L174 | K172-L174 PolarHBondContact O-N 3.01Š| ||
| 173 | S | 29.5 | Very low | 33.4 | Very low | 101 Ų | 101 | 165.7 Ų | 165.7 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -77.6 | 114.8 | -172.8 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 174 | L | 33 | Very low | 33.6 | Very low | 181 Ų | 181 | 163.3 Ų | 163.3 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | -94.3 | 90.8 | 156.1 | -70.4 | -178.2 | 0 | 0 | 0 | 109.4 | K172 | K172-L174 PolarHBondContact O-N 3.01Š| ||
| 175 | L | 35.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 165.9 Ų | 165.9 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -68.2 | 130.4 | 168.2 | -78.3 | 164.2 | 0 | 0 | 0 | 109.9 | ||||
| 176 | F | 29.2 | Very low | 33.5 | Very low | 183 Ų | 183 | 165 Ų | 165 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | trans | 40.9 | 94.6 | 154.1 | -82 | -100.7 | 0 | 0 | 0 | 118.2 | ||||
| 177 | N | 30.2 | Very low | 33.8 | Very low | 136 Ų | 136 | 161.7 Ų | 161.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -145.1 | 85.3 | 126.9 | -125.1 | -51.5 | 0 | 0 | 0 | 112.5 | R179 | N177-R179 PolarHBondContact O-N 3.46Š| |||
| 178 | R | 32.2 | Very low | 34.3 | Very low | 241 Ų | 241 | 159 Ų | 159 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 70.9 | 176.6 | -174.2 | -165 | -93.4 | -178.6 | -7.4 | 110.5 | ||||
| 179 | R | 34.8 | Very low | 35 | Very low | 213 Ų | 213 | 153.6 Ų | 153.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -82.2 | 136.4 | 168 | -68.6 | -166.8 | -178.1 | -170.2 | 3 | 110.1 | N177 S181 | N177-R179 PolarHBondContact O-N 3.46Å; R179-S181 PolarHBondContact O-N 2.99Å | ||
| 180 | K | 33.5 | Very low | 36.1 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 117.4 | -178.3 | -60.5 | 171.4 | -178.1 | 175 | 0 | 109.1 | ||||
| 181 | S | 35.9 | Very low | 37 | Very low | 103 Ų | 103 | 153.6 Ų | 153.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | -113.1 | 123.8 | 160.2 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | R179 K183 | R179-S181 PolarHBondContact O-N 2.99Å; S181-K183 PolarHBondContact O-N 3.41Å; S181-K183 VanDerWaalsContact O-N 3.14Å | ||
| 182 | N | 32 | Very low | 38.2 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -85.6 | 79.9 | -178.8 | -69.9 | -11.3 | 0 | 0 | 0 | 109.5 | ||||
| 183 | K | 35.3 | Very low | 39.5 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | -126.1 | 147.6 | 164.1 | -83.9 | -174.9 | 174.1 | -179.3 | 0 | 110.6 | S181 | S181-K183 PolarHBondContact O-N 3.41Å; S181-K183 VanDerWaalsContact O-N 3.14Å | ||
| 184 | L | 36.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 145.7 | -174.8 | -145.6 | 65.4 | 0 | 0 | 0 | 111.6 | ||
| 185 | W | 31 | Very low | 42.4 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 75% | 0.746 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.2 | 160.5 | -68.3 | 87.6 | 0 | 0 | 0 | 108 | S187 | W185-S187 PolarHBondContact O-N 3.44Š|
| 186 | P | 39.8 | Very low | 43.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 127.4 | 169.9 | 26.2 | -33.1 | 0 | 0 | 0 | 108.3 | V188 | P186-V188 PolarHBondContact O-N 3.1Š|
| 187 | S | 40.2 | Very low | 45.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.7 | -175.5 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | W185 N189 | W185-S187 PolarHBondContact O-N 3.44Å; S187-N189 PolarHBondContact O-N 3.48Å |
| 188 | V | 47.5 | Very low | 46.8 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 53% | 0.533 | 61% | 0.614 | S | S | . | * | trans | -55.7 | 110.4 | 172.1 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | P186 I190 M192 F193 | P186-V188 PolarHBondContact O-N 3.1Å; V188-I190 PolarHBondContact O-N 3.28Å; V188-M192 HydrophobicContact CG1-CE 3.85Å; V188-F193 HydrophobicContact CG1-CB 4.27Å | ||
| 189 | N | 46.3 | Very low | 48.2 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | trans | -58.3 | 131.2 | -179 | -177.3 | -13.4 | 0 | 0 | 0 | 108.8 | S187 D191 M192 F193 | S187-N189 PolarHBondContact O-N 3.48Å; N189-D191 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact OD1-N 3.21Å; N189-M192 PolarHBondContact O-N 3.05Å; N189-F193 PolarHBondContact O-N 3.22Å | ||
| 190 | I | 55.1 | Low | 49.5 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 59% | 0.59 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -50.7 | -31.6 | 176.9 | -60.2 | 173.9 | 0 | 0 | 0 | 110.9 | V188 R194 | V188-I190 PolarHBondContact O-N 3.28Å; I190-R194 VanDerWaalsContact O-CB 3.29Å; I190-R194 WeakPolarHBondContact O-CB 3.31Å; I190-R194 PolarHBondContact O-N 2.86Å |
| 191 | D | 52.9 | Low | 50.7 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 43% | 0.428 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.1 | -41.5 | 176.9 | -60.4 | -35.6 | 0 | 0 | 0 | 113 | N189 R194 D195 | N189-D191 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact OD1-N 3.21Å; D191-R194 PolarHBondContact O-N 2.96Å; D191-R194 IonicContact OD1-CZ 3.62Å; D191-R194 IonicContact OD1-NH1 2.86Å; D191-R194 PolarHBondContact OD1-NH1 3.48Å; D191-R194 IonicContact OD1-NH2 3.71Å; D191-D195 PolarHBondContact O-N 3.06Å |
| 192 | M | 60.1 | Low | 51.8 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.4 | -41 | 173.4 | -173.6 | 176.2 | 72 | 0 | 0 | 111 | V188 N189 D195 I196 | V188-M192 HydrophobicContact CG1-CE 3.85Å; N189-M192 PolarHBondContact O-N 3.05Å; M192-D195 PolarHBondContact O-N 2.96Å; M192-I196 HydrophobicContact CG-CD1 4.14Å; M192-I196 VanDerWaalsContact O-CG1 3.31Å; M192-I196 WeakPolarHBondContact O-CG1 3.41Å; M192-I196 PolarHBondContact O-N 3.27Å |
| 193 | F | 58.6 | Low | 53.1 | Low | 55 Ų | 55 | 107.5 Ų | 107.5 | 24% | 0.241 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -57.5 | -48.7 | 172.1 | 177.9 | -106.5 | 0 | 0 | 0 | 111.1 | V188 N189 D195 I196 C197 C204 M207 | V188-F193 HydrophobicContact CG1-CB 4.27Å; N189-F193 PolarHBondContact O-N 3.22Å; F193-D195 VanDerWaalsContact C-N 3.35Å; F193-D195 PolarHBondContact O-N 2.97Å; F193-I196 WeakPolarHBondContact O-CB 2.94Å; F193-I196 PolarHBondContact O-N 3.22Å; F193-C197 PolarHBondContact O-N 2.92Å; F193-C197 PolarHBondContact O-SG 3.34Å; F193-C204 HydrophobicContact CE1-CB 3.73Å; F193-C204 HydrophobicContact CZ-CB 3.72Å; F193-M207 HydrophobicContact CE2-SD 3.71Å; F193-M207 HydrophobicContact CZ-CB 4.08Å; F193-M207 HydrophobicContact CZ-CG 4.3Å; F193-M207 HydrophobicContact CZ-SD 3.75Å |
| 194 | R | 60.2 | Low | 54.3 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 39% | 0.385 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | -179.8 | -162.7 | -177 | -57.2 | 104.9 | -6 | 113 | I190 D191 C197 R198 | I190-R194 VanDerWaalsContact O-CB 3.29Å; I190-R194 WeakPolarHBondContact O-CB 3.31Å; I190-R194 PolarHBondContact O-N 2.86Å; D191-R194 PolarHBondContact O-N 2.96Å; D191-R194 IonicContact OD1-CZ 3.62Å; D191-R194 IonicContact OD1-NH1 2.86Å; D191-R194 PolarHBondContact OD1-NH1 3.48Å; D191-R194 IonicContact OD1-NH2 3.71Å; R194-C197 PolarHBondContact O-N 3.29Å; R194-R198 WeakPolarHBondContact O-CD 3.14Å; R194-R198 VanDerWaalsContact O-CG 3.25Å; R194-R198 WeakPolarHBondContact O-CG 3.49Å; R194-R198 PolarHBondContact O-N 2.79Å |
| 195 | D | 63.1 | Low | 55.2 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.8 | -31.2 | 176.7 | -84.3 | 3.4 | 0 | 0 | 0 | 113 | D191 M192 F193 R198 G199 | D191-D195 PolarHBondContact O-N 3.06Å; M192-D195 PolarHBondContact O-N 2.96Å; F193-D195 VanDerWaalsContact C-N 3.35Å; F193-D195 PolarHBondContact O-N 2.97Å; D195-R198 VanDerWaalsContact OD1-CD 3.24Å; D195-R198 WeakPolarHBondContact OD1-CD 3.49Å; D195-R198 IonicContact OD1-CZ 2.65Å; D195-R198 IonicContact OD1-NE 2.68Å; D195-R198 IonicContact OD1-NH1 3.65Å; D195-R198 PolarHBondContact OD1-NH1 2.95Å; D195-G199 PolarHBondContact O-N 3.01Å |
| 196 | I | 63.7 | Low | 56.2 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 45% | 0.451 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 167.3 | -69.9 | 163.7 | 0 | 0 | 0 | 110.5 | M192 F193 R198 G199 L200 | M192-I196 HydrophobicContact CG-CD1 4.14Å; M192-I196 VanDerWaalsContact O-CG1 3.31Å; M192-I196 WeakPolarHBondContact O-CG1 3.41Å; M192-I196 PolarHBondContact O-N 3.27Å; F193-I196 WeakPolarHBondContact O-CB 2.94Å; F193-I196 PolarHBondContact O-N 3.22Å; I196-R198 PolarHBondContact O-N 3.29Å; I196-G199 PolarHBondContact O-N 2.87Å; I196-G199 VanDerWaalsContact O-N 3.1Å; I196-L200 HydrophobicContact CG2-CD1 3.81Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.11Å |
| 197 | C | 60 | Low | 56.4 | Low | 13 Ų | 13 | 95.2 Ų | 95.2 | 9% | 0.088 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | F193 R194 G199 L200 S201 I202 C204 | F193-C197 PolarHBondContact O-N 2.92Å; F193-C197 PolarHBondContact O-SG 3.34Å; R194-C197 PolarHBondContact O-N 3.29Å; C197-G199 VanDerWaalsContact C-N 3.29Å; C197-G199 PolarHBondContact O-N 3.23Å; C197-L200 PolarHBondContact O-N 2.02Å; C197-S201 PolarHBondContact O-N 2.96Å; C197-I202 PolarHBondContact O-N 3.2Å; C197-C204 HydrophobicContact CB-CB 3.75Å; C197-C204 WeakPolarHBondContact CB-SG 3.36Å; C197-C204 WeakPolarHBondContact SG-CB 3.43Å; C197-C204 CovalentContact SG-SG 2.02Å; C197-C204 PolarHBondContact SG-SG 2.8Å |
| 198 | R | 63.8 | Low | 56.6 | Low | 167 Ų | 167 | 97.6 Ų | 97.6 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.5 | -35.7 | 172.9 | -74.8 | 162.2 | 170.1 | 167.3 | -2.6 | 112.9 | R194 D195 I196 L200 | R194-R198 WeakPolarHBondContact O-CD 3.14Å; R194-R198 VanDerWaalsContact O-CG 3.25Å; R194-R198 WeakPolarHBondContact O-CG 3.49Å; R194-R198 PolarHBondContact O-N 2.79Å; D195-R198 VanDerWaalsContact OD1-CD 3.24Å; D195-R198 WeakPolarHBondContact OD1-CD 3.49Å; D195-R198 IonicContact OD1-CZ 2.65Å; D195-R198 IonicContact OD1-NE 2.68Å; D195-R198 IonicContact OD1-NH1 3.65Å; D195-R198 PolarHBondContact OD1-NH1 2.95Å; I196-R198 PolarHBondContact O-N 3.29Å; R198-L200 VanDerWaalsContact C-N 3.32Å |
| 199 | G | 62.2 | Low | 56.1 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.2 | -19.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D195 I196 C197 | D195-G199 PolarHBondContact O-N 3.01Å; I196-G199 PolarHBondContact O-N 2.87Å; I196-G199 VanDerWaalsContact O-N 3.1Å; C197-G199 VanDerWaalsContact C-N 3.29Å; C197-G199 PolarHBondContact O-N 3.23Å |
| 200 | L | 62.2 | Low | 55.9 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -109.9 | -5.2 | -173.6 | -64.8 | 173.2 | 0 | 0 | 0 | 114.4 | I196 C197 R198 I202 | I196-L200 HydrophobicContact CG2-CD1 3.81Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.11Å; C197-L200 PolarHBondContact O-N 2.02Å; R198-L200 VanDerWaalsContact C-N 3.32Å; L200-I202 HydrophobicContact CB-CB 4.45Å; L200-I202 HydrophobicContact CB-CD1 3.72Å; L200-I202 HydrophobicContact CB-CG1 3.83Å; L200-I202 HydrophobicContact CD1-CD1 3.94Å; L200-I202 HydrophobicContact CG-CD1 4.45Å; L200-I202 PolarHBondContact O-N 3.33Å |
| 201 | S | 57.5 | Low | 55.4 | Low | 121 Ų | 121 | 108.7 Ų | 108.7 | 85% | 0.846 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.1 | -170.8 | -56.3 | 0 | 0 | 0 | 0 | 114 | C197 | C197-S201 PolarHBondContact O-N 2.96Š|
| 202 | I | 60.4 | Low | 55.3 | Low | 82 Ų | 82 | 106 Ų | 106 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | trans | -94.4 | 131.5 | 177.6 | -64.4 | 172.7 | 0 | 0 | 0 | 109 | C197 L200 C204 M207 | C197-I202 PolarHBondContact O-N 3.2Å; L200-I202 HydrophobicContact CB-CB 4.45Å; L200-I202 HydrophobicContact CB-CD1 3.72Å; L200-I202 HydrophobicContact CB-CG1 3.83Å; L200-I202 HydrophobicContact CD1-CD1 3.94Å; L200-I202 HydrophobicContact CG-CD1 4.45Å; L200-I202 PolarHBondContact O-N 3.33Å; I202-C204 PolarHBondContact O-N 3.41Å; I202-M207 HydrophobicContact CG2-CE 4.49Å | ||
| 203 | D | 59.2 | Low | 55.1 | Low | 115 Ų | 115 | 109.8 Ų | 109.8 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | trans | -72.5 | 108.3 | 165.7 | -165.9 | -27.2 | 0 | 0 | 0 | 109.5 | N205 | D203-N205 WeakPolarHBondContact OD1-CB 3.25Å; D203-N205 VanDerWaalsContact OD1-CG 3.28Å; D203-N205 PolarHBondContact OD1-N 3.14Å; D203-N205 PolarHBondContact OD1-ND2 3.03Å | ||
| 204 | C | 59.6 | Low | 55.5 | Low | 25 Ų | 25 | 111.7 Ų | 111.7 | 17% | 0.169 | 56% | 0.564 | C | S | . | * | trans | -94.3 | 6.3 | -179.4 | -73.8 | 0 | 0 | 0 | 0 | 113.7 | F193 C197 I202 E206 | F193-C204 HydrophobicContact CE1-CB 3.73Å; F193-C204 HydrophobicContact CZ-CB 3.72Å; C197-C204 HydrophobicContact CB-CB 3.75Å; C197-C204 WeakPolarHBondContact CB-SG 3.36Å; C197-C204 WeakPolarHBondContact SG-CB 3.43Å; C197-C204 CovalentContact SG-SG 2.02Å; C197-C204 PolarHBondContact SG-SG 2.8Å; I202-C204 PolarHBondContact O-N 3.41Å; C204-E206 PolarHBondContact O-N 3.02Å | ||
| 205 | N | 56.2 | Low | 56 | Low | 154 Ų | 154 | 107.5 Ų | 107.5 | 82% | 0.824 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -18.1 | 176 | -64.8 | -61.4 | 0 | 0 | 0 | 112.6 | D203 | D203-N205 WeakPolarHBondContact OD1-CB 3.25Å; D203-N205 VanDerWaalsContact OD1-CG 3.28Å; D203-N205 PolarHBondContact OD1-N 3.14Å; D203-N205 PolarHBondContact OD1-ND2 3.03Å |
| 206 | E | 51.5 | Low | 56.7 | Low | 169 Ų | 169 | 108.9 Ų | 108.9 | 79% | 0.79 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 0.2 | -176.1 | -166.1 | 147.7 | -135.8 | 0 | 0 | 114.5 | C204 K208 | C204-E206 PolarHBondContact O-N 3.02Å; E206-K208 VanDerWaalsContact C-N 3.31Å; E206-K208 PolarHBondContact O-N 2.83Å |
| 207 | M | 43.6 | Very low | 57.4 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 30% | 0.3 | 57% | 0.574 | S | S | . | * | trans | -71.9 | 81.7 | 176 | -74.3 | -160 | -177.7 | 0 | 0 | 112.5 | F193 I202 F209 H290 | F193-M207 HydrophobicContact CE2-SD 3.71Å; F193-M207 HydrophobicContact CZ-CB 4.08Å; F193-M207 HydrophobicContact CZ-CG 4.3Å; F193-M207 HydrophobicContact CZ-SD 3.75Å; I202-M207 HydrophobicContact CG2-CE 4.49Å; M207-F209 PolarHBondContact O-N 3.27Å; M207-H290 HydrophobicContact CE-CB 3.97Å | ||
| 208 | K | 44.3 | Very low | 58.1 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | trans | -63.9 | 120.6 | 160.8 | -71.3 | 176 | -178.1 | 165.2 | 0 | 109 | E206 Y210 | E206-K208 VanDerWaalsContact C-N 3.31Å; E206-K208 PolarHBondContact O-N 2.83Å; K208-Y210 WeakPolarHBondContact O-CD2 3.42Å; K208-Y210 PolarHBondContact O-N 3.25Å | ||
| 209 | F | 37.1 | Very low | 58.9 | Low | 178 Ų | 178 | 107 Ų | 107 | 78% | 0.781 | 59% | 0.586 | S | S | * | * | trans | -62.7 | 106.9 | 166.8 | -75.4 | -94.1 | 0 | 0 | 0 | 109 | M207 E211 | M207-F209 PolarHBondContact O-N 3.27Å; F209-E211 PolarHBondContact O-N 3.27Å | ||
| 210 | Y | 41.5 | Very low | 59.7 | Low | 166 Ų | 166 | 107.4 Ų | 107.4 | 65% | 0.651 | 58% | 0.576 | S | S | * | * | trans | -78.6 | 107.8 | 164.6 | -73 | -85.9 | 0 | 0 | 0 | 108 | K208 G212 P289 | K208-Y210 WeakPolarHBondContact O-CD2 3.42Å; K208-Y210 PolarHBondContact O-N 3.25Å; Y210-G212 PolarHBondContact O-N 3.46Å; Y210-P289 HydrophobicContact CD2-CB 4.38Å; Y210-P289 HydrophobicContact CD2-CG 4.37Å | ||
| 211 | E | 46.3 | Very low | 60.3 | Low | 183 Ų | 183 | 104 Ų | 104 | 86% | 0.855 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.6 | 166.1 | -65.6 | -172.9 | 134.6 | 0 | 0 | 109 | F209 K213 | F209-E211 PolarHBondContact O-N 3.27Å; E211-K213 PolarHBondContact O-N 3.12Å |
| 212 | G | 49.6 | Very low | 61.4 | Low | 22 Ų | 22 | 106.9 Ų | 106.9 | 23% | 0.227 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -51.9 | 127.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y210 D286 | Y210-G212 PolarHBondContact O-N 3.46Å; G212-D286 PolarHBondContact N-OD1 2.88Å |
| 213 | K | 57.1 | Low | 62.2 | Low | 191 Ų | 191 | 107.3 Ų | 107.3 | 83% | 0.83 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 138.2 | 179.4 | -73.3 | -179.8 | 179.4 | 174.7 | 0 | 110.1 | E211 | E211-K213 PolarHBondContact O-N 3.12Š|
| 214 | P | 65.8 | Low | 63 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -55 | 144.1 | -178.1 | -23.5 | 32 | 0 | 0 | 0 | 111.8 | I280 | P214-I280 HydrophobicContact CB-CG2 3.45Å; P214-I280 VanDerWaalsContact CB-CG2 3.45Å |
| 215 | G | 71.4 | Confident | 63.9 | Low | 15 Ų | 15 | 112 Ų | 112 | 16% | 0.155 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -60.1 | 156.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I280 G281 | G215-I280 WeakPolarHBondContact O-CG2 3.16Å; G215-G281 PolarHBondContact N-O 2.92Å |
| 216 | P | 78 | Confident | 65 | Low | 112 Ų | 112 | 110 Ų | 110 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 150.5 | 173.8 | 25.8 | -34.7 | 0 | 0 | 0 | 110.5 | ||
| 217 | P | 78.9 | Confident | 66.2 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -52.7 | 142.7 | 175.7 | -26.2 | 34.7 | 0 | 0 | 0 | 111.6 | ||
| 218 | G | 74.9 | Confident | 67.9 | Low | 21 Ų | 21 | 107 Ų | 107 | 22% | 0.216 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.1 | 152.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 219 | P | 79.6 | Confident | 69.5 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 74% | 0.74 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 149.4 | 174.9 | 26.6 | -35.1 | 0 | 0 | 0 | 110.1 | ||
| 220 | P | 79.3 | Confident | 71.4 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 146.7 | -178.1 | -19.4 | 31.5 | 0 | 0 | 0 | 111.8 | K274 | P220-K274 HydrophobicContact CB-CD 4.49Š|
| 221 | G | 74.8 | Confident | 73.3 | Confident | 36 Ų | 36 | 96.8 Ų | 96.8 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 151.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 222 | E | 79.6 | Confident | 74.9 | Confident | 181 Ų | 181 | 95.9 Ų | 95.9 | 85% | 0.846 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 153.9 | 176.3 | -63.3 | -170.2 | 147 | 0 | 0 | 111.9 | ||
| 223 | P | 78.7 | Confident | 76.2 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 60% | 0.597 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 139.7 | 175.5 | -21.5 | 33 | 0 | 0 | 0 | 112.1 | ||
| 224 | G | 74.5 | Confident | 77.3 | Confident | 38 Ų | 38 | 93.8 Ų | 93.8 | 39% | 0.392 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 140.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 225 | K | 79.8 | Confident | 78.1 | Confident | 199 Ų | 199 | 96.9 Ų | 96.9 | 87% | 0.865 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 147.1 | 174.6 | -66.9 | -179.5 | -180 | 177.7 | 0 | 110.2 | ||
| 226 | P | 78.4 | Confident | 78.4 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 141.5 | 175.1 | -25.5 | 34.6 | 0 | 0 | 0 | 112.1 | ||
| 227 | G | 76.7 | Confident | 78.6 | Confident | 46 Ų | 46 | 99.4 Ų | 99.4 | 47% | 0.474 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 228 | P | 79.2 | Confident | 78.7 | Confident | 120 Ų | 120 | 100.9 Ų | 100.9 | 78% | 0.779 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 156.1 | 174.7 | 28.3 | -35.3 | 0 | 0 | 0 | 111.2 | G230 | P228-G230 PolarHBondContact O-N 2.79Š|
| 229 | P | 79.1 | Confident | 78.9 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.2 | 172.9 | -23.3 | 33.9 | 0 | 0 | 0 | 111.6 | ||
| 230 | G | 76.5 | Confident | 79 | Confident | 44 Ų | 44 | 103.8 Ų | 103.8 | 45% | 0.454 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 155.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P228 | P228-G230 PolarHBondContact O-N 2.79Š|
| 231 | P | 80.9 | Confident | 79 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 155.3 | 179.8 | 26.9 | -35.3 | 0 | 0 | 0 | 111.7 | G233 | P231-G233 PolarHBondContact O-N 2.93Š|
| 232 | Q | 80.2 | Confident | 79.2 | Confident | 164 Ų | 164 | 107.7 Ų | 107.7 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 130.1 | 173.7 | 178.8 | 170.7 | -27.9 | 0 | 0 | 110.1 | ||
| 233 | G | 76.2 | Confident | 79.2 | Confident | 41 Ų | 41 | 108 Ų | 108 | 42% | 0.423 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 155.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P231 | P231-G233 PolarHBondContact O-N 2.93Š|
| 234 | P | 81.4 | Confident | 79.1 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 151 | -178.2 | 26.2 | -35.1 | 0 | 0 | 0 | 111.9 | G236 | P234-G236 PolarHBondContact O-N 3.48Š|
| 235 | I | 81.6 | Confident | 78.8 | Confident | 160 Ų | 160 | 111.5 Ų | 111.5 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -65 | 132.6 | 171.6 | -58.3 | 174.9 | 0 | 0 | 0 | 107.9 | ||
| 236 | G | 77.9 | Confident | 78.4 | Confident | 54 Ų | 54 | 108.3 Ų | 108.3 | 56% | 0.557 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 153 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P234 | P234-G236 PolarHBondContact O-N 3.48Š|
| 237 | P | 82.2 | Confident | 78.1 | Confident | 125 Ų | 125 | 109.6 Ų | 109.6 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 150 | 177.8 | 27.3 | -35 | 0 | 0 | 0 | 111.1 | ||
| 238 | P | 81.6 | Confident | 77.5 | Confident | 125 Ų | 125 | 110.7 Ų | 110.7 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54 | 147 | 170.7 | -25 | 34.7 | 0 | 0 | 0 | 111.8 | ||
| 239 | G | 79.7 | Confident | 76.7 | Confident | 64 Ų | 64 | 110.1 Ų | 110.1 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61 | 151.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 240 | P | 80.3 | Confident | 75.7 | Confident | 132 Ų | 132 | 116.3 Ų | 116.3 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 144 | 176.7 | 27.3 | -34.8 | 0 | 0 | 0 | 110.6 | G242 | P240-G242 PolarHBondContact O-N 3.09Š|
| 241 | S | 80.4 | Confident | 75.4 | Confident | 119 Ų | 119 | 116.6 Ų | 116.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 137.7 | 173.7 | -60 | 0 | 0 | 0 | 0 | 110.7 | ||
| 242 | G | 77.9 | Confident | 75 | Confident | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P240 | P240-G242 PolarHBondContact O-N 3.09Š|
| 243 | Q | 79.1 | Confident | 74.7 | Confident | 187 Ų | 187 | 118 Ų | 118 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 145.7 | 175.1 | -64.4 | -176.3 | 9.3 | 0 | 0 | 110.3 | G245 | Q243-G245 PolarHBondContact O-N 3.41Š|
| 244 | P | 78.3 | Confident | 74.7 | Confident | 131 Ų | 131 | 119 Ų | 119 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.1 | 174.7 | -24.2 | 34.4 | 0 | 0 | 0 | 111.7 | ||
| 245 | G | 67.1 | Low | 74.7 | Confident | 73 Ų | 73 | 121.8 Ų | 121.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q243 | Q243-G245 PolarHBondContact O-N 3.41Š|
| 246 | T | 72.1 | Confident | 74.6 | Confident | 132 Ų | 132 | 120 Ų | 120 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 154.1 | 171 | 43.5 | 0 | 0 | 0 | 0 | 111.2 | G248 | T246-G248 PolarHBondContact O-N 3.14Š|
| 247 | P | 72.2 | Confident | 74.7 | Confident | 141 Ų | 141 | 120.6 Ų | 120.6 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -60.9 | 122.3 | -175.2 | -25.2 | 35.5 | 0 | 0 | 0 | 113.2 | ||
| 248 | G | 64.3 | Low | 74.7 | Confident | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -147.4 | 167.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T246 R250 | T246-G248 PolarHBondContact O-N 3.14Å; G248-R250 PolarHBondContact O-N 3.42Å | ||
| 249 | A | 61.5 | Low | 74.7 | Confident | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -60.4 | 134.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G251 | A249-G251 PolarHBondContact O-N 3.31Š|
| 250 | R | 59.2 | Low | 74.6 | Confident | 249 Ų | 249 | 123.6 Ų | 123.6 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | -65.9 | 97.9 | -166.9 | -177.2 | -178.3 | 178.8 | -177.2 | 0.7 | 112.7 | G248 | G248-R250 PolarHBondContact O-N 3.42Š| ||
| 251 | G | 69 | Low | 74.7 | Confident | 49 Ų | 49 | 123.6 Ų | 123.6 | 51% | 0.505 | 80% | 0.796 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 168.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112 | A249 | A249-G251 PolarHBondContact O-N 3.31Š|
| 252 | P | 73.1 | Confident | 74.6 | Confident | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 146.8 | 169 | 28.3 | -34.2 | 0 | 0 | 0 | 110.5 | G254 | P252-G254 PolarHBondContact O-N 3.39Š|
| 253 | Q | 74.6 | Confident | 74.5 | Confident | 187 Ų | 187 | 127.8 Ų | 127.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 132.9 | 172.6 | 178.3 | 178.4 | -28.1 | 0 | 0 | 109.3 | ||
| 254 | G | 75.4 | Confident | 74.5 | Confident | 62 Ų | 62 | 127.1 Ų | 127.1 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 143.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P252 | P252-G254 PolarHBondContact O-N 3.39Š|
| 255 | E | 80.8 | Confident | 74.3 | Confident | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 152.7 | 177.8 | -62.8 | -165.3 | 128.7 | 0 | 0 | 111.7 | ||
| 256 | P | 81 | Confident | 74.5 | Confident | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 141.9 | 173.6 | -25.2 | 35 | 0 | 0 | 0 | 112 | ||
| 257 | G | 78.8 | Confident | 74.6 | Confident | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 148.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 258 | P | 82.3 | Confident | 74.6 | Confident | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60 | 150.3 | -176.4 | 25.8 | -35.2 | 0 | 0 | 0 | 111.8 | G260 | P258-G260 PolarHBondContact O-N 3.37Š|
| 259 | Q | 82.5 | Confident | 74.7 | Confident | 193 Ų | 193 | 131.2 Ų | 131.2 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.9 | 175.2 | -172.5 | 178.8 | 14.9 | 0 | 0 | 110.4 | ||
| 260 | G | 77.2 | Confident | 75.3 | Confident | 55 Ų | 55 | 134.2 Ų | 134.2 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P258 | P258-G260 PolarHBondContact O-N 3.37Š|
| 261 | P | 81.7 | Confident | 76.1 | Confident | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.2 | -174.2 | 25 | -34.8 | 0 | 0 | 0 | 111.7 | G263 | P261-G263 PolarHBondContact O-N 3.09Š|
| 262 | R | 79.6 | Confident | 76.3 | Confident | 225 Ų | 225 | 128.7 Ų | 128.7 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.5 | 174.4 | -176.2 | 178.2 | -176.2 | 165.4 | 4.6 | 109.6 | ||
| 263 | G | 74.8 | Confident | 76.6 | Confident | 56 Ų | 56 | 128.4 Ų | 128.4 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 143.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P261 | P261-G263 PolarHBondContact O-N 3.09Š|
| 264 | L | 78.4 | Confident | 76.7 | Confident | 174 Ų | 174 | 127 Ų | 127 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 143.6 | -177.9 | -66.8 | 172.7 | 0 | 0 | 0 | 111.5 | G266 | L264-G266 PolarHBondContact O-N 2.98Š|
| 265 | R | 75.7 | Confident | 76.6 | Confident | 227 Ų | 227 | 125.4 Ų | 125.4 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 128.9 | 171.6 | -176.2 | 177.3 | -178.5 | 165.2 | 1.2 | 108.6 | ||
| 266 | G | 70.7 | Confident | 76.5 | Confident | 43 Ų | 43 | 121.8 Ų | 121.8 | 44% | 0.443 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 144.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L264 | L264-G266 PolarHBondContact O-N 2.98Š|
| 267 | L | 74.2 | Confident | 76.3 | Confident | 168 Ų | 168 | 120.7 Ų | 120.7 | 88% | 0.88 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54 | 145.1 | 177.9 | -70.5 | 167 | 0 | 0 | 0 | 110.8 | G269 | L267-G269 PolarHBondContact O-N 2.04Š|
| 268 | I | 72.3 | Confident | 75.9 | Confident | 150 Ų | 150 | 118.6 Ų | 118.6 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64 | 126 | 171.1 | -59.2 | 175.5 | 0 | 0 | 0 | 107.2 | L270 | I268-L270 PolarHBondContact O-N 2.86Š|
| 269 | G | 66.8 | Low | 75.6 | Confident | 43 Ų | 43 | 118 Ų | 118 | 44% | 0.443 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 135.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | L267 | L267-G269 PolarHBondContact O-N 2.04Š|
| 270 | L | 73.4 | Confident | 75.2 | Confident | 171 Ų | 171 | 114.4 Ų | 114.4 | 90% | 0.895 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 144.6 | 177.9 | -64.9 | 175.1 | 0 | 0 | 0 | 110.4 | I268 G272 | I268-L270 PolarHBondContact O-N 2.86Å; L270-G272 PolarHBondContact O-N 3.45Å |
| 271 | Q | 74.9 | Confident | 74.4 | Confident | 147 Ų | 147 | 113 Ų | 113 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.5 | 173.8 | -178 | 169.9 | 64 | 0 | 0 | 109.3 | ||
| 272 | G | 73.3 | Confident | 73.5 | Confident | 35 Ų | 35 | 112.1 Ų | 112.1 | 36% | 0.361 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 152.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L270 | L270-G272 PolarHBondContact O-N 3.45Š|
| 273 | P | 79.2 | Confident | 72.7 | Confident | 126 Ų | 126 | 105.6 Ų | 105.6 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57 | 145.2 | 179.5 | 25.7 | -34.7 | 0 | 0 | 0 | 111 | G275 | P273-G275 PolarHBondContact O-N 3.39Š|
| 274 | K | 76.6 | Confident | 71.6 | Confident | 156 Ų | 156 | 105 Ų | 105 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133.1 | 174.1 | -169.1 | 178.5 | -172.8 | -177.2 | 0 | 109.6 | P220 | P220-K274 HydrophobicContact CB-CD 4.49Š|
| 275 | G | 73.7 | Confident | 70.4 | Confident | 29 Ų | 29 | 104.9 Ų | 104.9 | 30% | 0.299 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 156.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P273 | P273-G275 PolarHBondContact O-N 3.39Š|
| 276 | P | 78.4 | Confident | 69.2 | Low | 110 Ų | 110 | 98.8 Ų | 98.8 | 71% | 0.714 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 160.1 | 175.9 | 27.2 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 277 | P | 77.2 | Confident | 67.7 | Low | 100 Ų | 100 | 101.6 Ų | 101.6 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 145.2 | 169.8 | -23.8 | 34.2 | 0 | 0 | 0 | 111.3 | ||
| 278 | G | 69.9 | Low | 66.2 | Low | 22 Ų | 22 | 97.1 Ų | 97.1 | 23% | 0.227 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.9 | 156.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 279 | P | 76.2 | Confident | 64.8 | Low | 118 Ų | 118 | 93.2 Ų | 93.2 | 77% | 0.766 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -55.1 | 152.1 | 176.5 | 25.4 | -34.8 | 0 | 0 | 0 | 111 | G281 | P279-G281 PolarHBondContact O-N 3.16Å |
| 280 | I | 74.5 | Confident | 63.6 | Low | 117 Ų | 117 | 96.4 Ų | 96.4 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -54.2 | 130.6 | 172.4 | -65.1 | 176.2 | 0 | 0 | 0 | 108.2 | P214 G215 | P214-I280 HydrophobicContact CB-CG2 3.45Å; P214-I280 VanDerWaalsContact CB-CG2 3.45Å; G215-I280 WeakPolarHBondContact O-CG2 3.16Å |
| 281 | G | 60.9 | Low | 62.1 | Low | 24 Ų | 24 | 90.2 Ų | 90.2 | 25% | 0.247 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | G215 P279 | G215-G281 PolarHBondContact N-O 2.92Å; P279-G281 PolarHBondContact O-N 3.16Å |
| 282 | P | 63.2 | Low | 60.8 | Low | 114 Ų | 114 | 87.1 Ų | 87.1 | 74% | 0.74 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 153.3 | 171.3 | 26.8 | -35.3 | 0 | 0 | 0 | 109.8 | G284 | P282-G284 PolarHBondContact O-N 3.23Š|
| 283 | P | 61.7 | Low | 59.7 | Low | 88 Ų | 88 | 89.2 Ų | 89.2 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | trans | -45 | 138.5 | 175.3 | -30.2 | 36.4 | 0 | 0 | 0 | 111.5 | K285 | P283-K285 PolarHBondContact O-N 3.32Š| ||
| 284 | G | 53 | Low | 58.5 | Low | 43 Ų | 43 | 87.8 Ų | 87.8 | 44% | 0.443 | 53% | 0.532 | S | S | . | . | trans | -55.4 | 136.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | P282 D286 | P282-G284 PolarHBondContact O-N 3.23Å; G284-D286 PolarHBondContact O-N 3.47Å; G284-D286 VanDerWaalsContact O-N 3.09Å | ||
| 285 | K | 53.3 | Low | 57.6 | Low | 171 Ų | 171 | 84.5 Ų | 84.5 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | trans | -54.2 | 122.7 | 171 | -73.4 | -167.2 | 175.2 | -163.7 | 0 | 107.7 | P283 S287 | P283-K285 PolarHBondContact O-N 3.32Å; K285-S287 PolarHBondContact O-N 3.35Å | ||
| 286 | D | 48.7 | Very low | 56.4 | Low | 99 Ų | 99 | 85.5 Ų | 85.5 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | trans | -59 | 112.1 | -169.2 | -50.5 | -77.1 | 0 | 0 | 0 | 110.3 | G212 G284 P288 | G212-D286 PolarHBondContact N-OD1 2.88Å; G284-D286 PolarHBondContact O-N 3.47Å; G284-D286 VanDerWaalsContact O-N 3.09Å; D286-P288 WeakPolarHBondContact O-CD 3.06Å | ||
| 287 | S | 39.4 | Very low | 55.1 | Low | 103 Ų | 103 | 87.9 Ų | 87.9 | 72% | 0.72 | 53% | 0.525 | S | S | * | . | trans | -65.6 | 105.9 | 153.8 | 50.4 | 0 | 0 | 0 | 0 | 105.3 | K285 | K285-S287 PolarHBondContact O-N 3.35Š| ||
| 288 | P | 44 | Very low | 53.8 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 47% | 0.474 | 54% | 0.541 | S | S | . | . | trans | -63.6 | 134.7 | -159.6 | -18.2 | 27.3 | 0 | 0 | 0 | 110.8 | D286 H290 T291 | D286-P288 WeakPolarHBondContact O-CD 3.06Å; P288-H290 PolarHBondContact O-N 2.84Å; P288-T291 HydrophobicContact CB-CG2 3.74Å; P288-T291 HydrophobicContact CG-CG2 3.67Å; P288-T291 PolarHBondContact O-N 3.36Å; P288-T291 VanDerWaalsContact O-N 3.12Å; P288-T291 PolarHBondContact O-OG1 3.34Å | ||
| 289 | P | 41.7 | Very low | 52.9 | Low | 69 Ų | 69 | 95.8 Ų | 95.8 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -5.1 | -162.8 | -27.4 | 36.2 | 0 | 0 | 0 | 117.2 | Y210 | Y210-P289 HydrophobicContact CD2-CB 4.38Å; Y210-P289 HydrophobicContact CD2-CG 4.37Å |
| 290 | H | 42.7 | Very low | 51.2 | Low | 110 Ų | 110 | 92 Ų | 92 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 27.7 | -178.6 | -56.3 | -73.9 | 0 | 0 | 0 | 113 | M207 P288 C292 | M207-H290 HydrophobicContact CE-CB 3.97Å; P288-H290 PolarHBondContact O-N 2.84Å; H290-C292 PolarHBondContact O-N 3.09Å; H290-C292 VanDerWaalsContact O-N 3.14Å |
| 291 | T | 41.4 | Very low | 49.5 | Very low | 40 Ų | 40 | 96.6 Ų | 96.6 | 25% | 0.245 | 55% | 0.548 | C | S | . | . | trans | -71.1 | 108.7 | 177.2 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | P288 N293 | P288-T291 HydrophobicContact CB-CG2 3.74Å; P288-T291 HydrophobicContact CG-CG2 3.67Å; P288-T291 PolarHBondContact O-N 3.36Å; P288-T291 VanDerWaalsContact O-N 3.12Å; P288-T291 PolarHBondContact O-OG1 3.34Å; T291-N293 PolarHBondContact O-N 3.28Å; T291-N293 VanDerWaalsContact O-N 3.09Å; T291-N293 PolarHBondContact O-ND2 2.87Å; T291-N293 PolarHBondContact OG1-ND2 2.88Å | ||
| 292 | C | 47.6 | Very low | 48.3 | Very low | 83 Ų | 83 | 105.8 Ų | 105.8 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | trans | -65.2 | 96.5 | 148.6 | -56.1 | 0 | 0 | 0 | 0 | 108.1 | H290 V312 | H290-C292 PolarHBondContact O-N 3.09Å; H290-C292 VanDerWaalsContact O-N 3.14Å; C292-V312 HydrophobicContact CB-CG1 4.16Å | ||
| 293 | N | 49.9 | Very low | 47 | Very low | 79 Ų | 79 | 112.2 Ų | 112.2 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 123.4 | 176.9 | -72.6 | -65.7 | 0 | 0 | 0 | 109.5 | T291 L295 K313 | T291-N293 PolarHBondContact O-N 3.28Å; T291-N293 VanDerWaalsContact O-N 3.09Å; T291-N293 PolarHBondContact O-ND2 2.87Å; T291-N293 PolarHBondContact OG1-ND2 2.88Å; N293-L295 HydrophobicContact CB-CD1 3.94Å; N293-L295 PolarHBondContact O-N 2.86Å; N293-K313 PolarHBondContact N-O 3.5Å; N293-K313 VanDerWaalsContact N-O 3.16Å; N293-K313 PolarHBondContact O-N 3.28Å |
| 294 | V | 54.4 | Low | 45.8 | Very low | 96 Ų | 96 | 111.7 Ų | 111.7 | 58% | 0.582 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 100 | 173.7 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | C296 C310 | V294-C296 PolarHBondContact O-N 2.61Å; V294-C310 HydrophobicContact CG1-CB 3.83Å |
| 295 | L | 58 | Low | 45.1 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 45% | 0.45 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 91.5 | 175.4 | -68.4 | 95.3 | 0 | 0 | 0 | 109.8 | N293 C310 E311 K313 | N293-L295 HydrophobicContact CB-CD1 3.94Å; N293-L295 PolarHBondContact O-N 2.86Å; L295-C310 WeakPolarHBondContact O-CA 3.07Å; L295-E311 PolarHBondContact N-O 3.36Å; L295-E311 PolarHBondContact O-N 3.34Å; L295-K313 HydrophobicContact CD1-CB 3.75Å; L295-K313 HydrophobicContact CD1-CD 4.09Å; L295-K313 HydrophobicContact CD1-CG 4Å |
| 296 | C | 48.4 | Very low | 44.5 | Very low | 51 Ų | 51 | 118.9 Ų | 118.9 | 35% | 0.345 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 123.5 | 162.9 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | V294 C310 | V294-C296 PolarHBondContact O-N 2.61Å; C296-C310 HydrophobicContact CB-CB 4.04Å; C296-C310 WeakPolarHBondContact CB-SG 3.49Å; C296-C310 WeakPolarHBondContact SG-CB 3.5Å; C296-C310 CovalentContact SG-SG 2.04Å; C296-C310 PolarHBondContact SG-SG 3.44Å |
| 297 | E | 51.7 | Low | 44.1 | Very low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -63.5 | 143.5 | 174.9 | -71.7 | -154.5 | 136.3 | 0 | 0 | 111.7 | G299 S300 | E297-G299 PolarHBondContact O-N 2.79Å; E297-S300 PolarHBondContact O-N 3.41Å; E297-S300 PolarHBondContact O-OG 3.44Å | ||
| 298 | K | 48.8 | Very low | 44.4 | Very low | 227 Ų | 227 | 122.2 Ų | 122.2 | 99% | 0.987 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 52.7 | -170.5 | -155.3 | 176.4 | -175.2 | 179.4 | 0 | 112.9 | ||
| 299 | G | 52.1 | Low | 44.7 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.3 | -11.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E297 Y301 | E297-G299 PolarHBondContact O-N 2.79Å; G299-Y301 VanDerWaalsContact C-N 3.33Å; G299-Y301 PolarHBondContact O-N 3.38Å |
| 300 | S | 39.9 | Very low | 45 | Very low | 38 Ų | 38 | 121.4 Ų | 121.4 | 27% | 0.266 | 63% | 0.631 | S | S | . | * | trans | -82.5 | 2.5 | -173.7 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | E297 R302 | E297-S300 PolarHBondContact O-N 3.41Å; E297-S300 PolarHBondContact O-OG 3.44Å; S300-R302 PolarHBondContact O-N 3.32Å | ||
| 301 | Y | 38.7 | Very low | 45.5 | Very low | 214 Ų | 214 | 121.2 Ų | 121.2 | 84% | 0.839 | 63% | 0.63 | S | S | * | * | trans | -73.7 | 69.4 | 172.5 | -77.6 | -83 | 0 | 0 | 0 | 112.3 | G299 | G299-Y301 VanDerWaalsContact C-N 3.33Å; G299-Y301 PolarHBondContact O-N 3.38Å | ||
| 302 | R | 36.8 | Very low | 46 | Very low | 216 Ų | 216 | 123.6 Ų | 123.6 | 82% | 0.815 | 65% | 0.645 | S | S | * | * | trans | -105.5 | 111.1 | 164.9 | -73.3 | -167.8 | 176 | -151.8 | -0 | 110 | S300 G304 | S300-R302 PolarHBondContact O-N 3.32Å; R302-G304 PolarHBondContact O-N 3.46Å | ||
| 303 | Y | 34.3 | Very low | 46.2 | Very low | 249 Ų | 249 | 124.3 Ų | 124.3 | 98% | 0.976 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 127.9 | 172.4 | -131.2 | -97.2 | 0 | 0 | 0 | 110.1 | ||
| 304 | G | 38.2 | Very low | 46.1 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82 | 24.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | R302 | R302-G304 PolarHBondContact O-N 3.46Š|
| 305 | K | 37.2 | Very low | 45.9 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 78% | 0.783 | 65% | 0.645 | S | S | * | * | trans | -132.3 | 148.7 | 156.1 | -76 | -158.1 | 170.1 | -162.2 | 0 | 111.4 | ||||
| 306 | E | 40.1 | Very low | 45.4 | Very low | 186 Ų | 186 | 127 Ų | 127 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -65.5 | 167.6 | 175.6 | -66.6 | 147.4 | 158.4 | 0 | 0 | 110.8 | ||
| 307 | E | 41.5 | Very low | 44.9 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | 68.7 | 49.6 | 179.8 | -53.6 | -179.2 | 177.1 | 0 | 0 | 116.1 | A309 | E307-A309 PolarHBondContact O-N 3.48Š| ||
| 308 | S | 44.9 | Very low | 44.4 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | trans | -70.6 | 77.7 | 160 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | C310 | S308-C310 PolarHBondContact O-N 3.31Å; S308-C310 VanDerWaalsContact O-N 3.09Å | ||
| 309 | A | 51.1 | Low | 43.8 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | trans | -63.3 | 109.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E307 | E307-A309 PolarHBondContact O-N 3.48Š| ||
| 310 | C | 48 | Very low | 43 | Very low | 54 Ų | 54 | 132.2 Ų | 132.2 | 37% | 0.365 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.6 | 164.8 | -62.8 | 0 | 0 | 0 | 0 | 108 | V294 L295 C296 S308 | V294-C310 HydrophobicContact CG1-CB 3.83Å; L295-C310 WeakPolarHBondContact O-CA 3.07Å; C296-C310 HydrophobicContact CB-CB 4.04Å; C296-C310 WeakPolarHBondContact CB-SG 3.49Å; C296-C310 WeakPolarHBondContact SG-CB 3.5Å; C296-C310 CovalentContact SG-SG 2.04Å; C296-C310 PolarHBondContact SG-SG 3.44Å; S308-C310 PolarHBondContact O-N 3.31Å; S308-C310 VanDerWaalsContact O-N 3.09Å |
| 311 | E | 52.5 | Low | 42.8 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 49% | 0.491 | 70% | 0.701 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 122.4 | -176.1 | -165.2 | -172.2 | 173.2 | 0 | 0 | 110.1 | L295 K313 | L295-E311 PolarHBondContact N-O 3.36Å; L295-E311 PolarHBondContact O-N 3.34Å; E311-K313 HydrophobicContact CG-CG 4.25Å; E311-K313 PolarHBondContact O-N 3.35Å; E311-K313 WeakPolarHBondContact OE1-CE 3.01Å; E311-K313 IonicContact OE1-NZ 2.61Å; E311-K313 PolarHBondContact OE1-NZ 3.3Å; E311-K313 IonicContact OE2-NZ 3.86Å; E311-K313 PolarHBondContact OE2-NZ 3.48Å |
| 312 | V | 51.5 | Low | 42.9 | Very low | 91 Ų | 91 | 137 Ų | 137 | 55% | 0.552 | 70% | 0.698 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87 | 96.9 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 109 | C292 C314 | C292-V312 HydrophobicContact CB-CG1 4.16Å; V312-C314 PolarHBondContact O-N 2.96Å |
| 313 | K | 53 | Low | 42.7 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 43% | 0.426 | 70% | 0.701 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 97.5 | 174.8 | -73.9 | -169.3 | 158.7 | 112.1 | 0 | 110.4 | N293 L295 E311 | N293-K313 PolarHBondContact N-O 3.5Å; N293-K313 VanDerWaalsContact N-O 3.16Å; N293-K313 PolarHBondContact O-N 3.28Å; L295-K313 HydrophobicContact CD1-CB 3.75Å; L295-K313 HydrophobicContact CD1-CD 4.09Å; L295-K313 HydrophobicContact CD1-CG 4Å; E311-K313 HydrophobicContact CG-CG 4.25Å; E311-K313 PolarHBondContact O-N 3.35Å; E311-K313 WeakPolarHBondContact OE1-CE 3.01Å; E311-K313 IonicContact OE1-NZ 2.61Å; E311-K313 PolarHBondContact OE1-NZ 3.3Å; E311-K313 IonicContact OE2-NZ 3.86Å; E311-K313 PolarHBondContact OE2-NZ 3.48Å |
| 314 | C | 46.6 | Very low | 42.7 | Very low | 66 Ų | 66 | 131.7 Ų | 131.7 | 45% | 0.446 | 70% | 0.696 | S | S | . | * | trans | -81.6 | 127.5 | 160.9 | -55 | 0 | 0 | 0 | 0 | 108.4 | V312 N316 | V312-C314 PolarHBondContact O-N 2.96Å; C314-N316 PolarHBondContact O-N 3.22Å | ||
| 315 | T | 49.7 | Very low | 42.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -78.5 | 102.6 | 171.6 | 46 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 316 | N | 48.1 | Very low | 42.7 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -61.5 | 148.3 | -169.7 | -82.8 | -7.8 | 0 | 0 | 0 | 114.5 | C314 I318 | C314-N316 PolarHBondContact O-N 3.22Å; N316-I318 PolarHBondContact O-N 3.42Å | ||
| 317 | Y | 38.3 | Very low | 42.8 | Very low | 228 Ų | 228 | 132.9 Ų | 132.9 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | trans | -69.4 | 116.6 | 172.4 | -159.5 | -101.8 | 0 | 0 | 0 | 109.9 | ||||
| 318 | I | 40.4 | Very low | 42.9 | Very low | 141 Ų | 141 | 130 Ų | 130 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | trans | -136.2 | 123.3 | 175.2 | -55.3 | 174.6 | 0 | 0 | 0 | 103.8 | N316 | N316-I318 PolarHBondContact O-N 3.42Š| ||
| 319 | E | 36.5 | Very low | 42.8 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | S | Bend | cis | -148.7 | 141.3 | 24.1 | -145.7 | 162 | -151.4 | 0 | 0 | 110.6 | ||
| 320 | G | 35.6 | Very low | 42.2 | Very low | 59 Ų | 59 | 136.4 Ų | 136.4 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | 120.7 | 126.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 321 | K | 36.5 | Very low | 41.9 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 68.4 | 98.8 | 176.9 | -57.4 | -159.3 | 173.3 | -163.2 | 0 | 114.7 | ||||
| 322 | E | 39.7 | Very low | 41.1 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | 86.2 | 97.2 | 78.6 | -79.9 | 172.3 | 143.4 | 0 | 0 | 111.1 | |||||
| 323 | E | 33.9 | Very low | 40.3 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 21.3 | 122.3 | 156.1 | -56.4 | -175.2 | 134.9 | 0 | 0 | 120 | ||||
| 324 | L | 32.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | -155 | 112.4 | 118.5 | -107.6 | 156.4 | 0 | 0 | 0 | 111.1 | |||||
| 325 | T | 33.1 | Very low | 38.6 | Very low | 203 Ų | 203 | 160.7 Ų | 160.7 | 100% | 1.245 | 83% | 0.825 | S | S | * | * | trans | 0.4 | 0 | 167 | 59.7 | 0 | 0 | 0 | 0 | 119.3 |
Retrieved 325 of 325 residues in 246.2 ms
(Link to these results)